A0A096MPH8_PAPAN Loading...

Serine/threonine-protein kinase MARK2

AlphaFold DB (F6TA28), UniProt , Accession A0A096MPH8, Species PAPAN (Papio anubis, Olive baboon), Gene MARK2, Length 788 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	33.8	Very low	253 Å²	253	149 Å²	149	100%	1.246	85%	0.849	S	S	*	*				0	158.6	0	-78.9	171.9	161.3	0	0	109.2
2	S	32.2	Very low	33.4	Very low	113 Å²	113	147.1 Å²	147.1	79%	0.79	84%	0.835	S	S	*	*			trans	-49	162.5	179.5	-75.1	0	0	0	0	117.1
3	S	34.6	Very low	33.1	Very low	114 Å²	114	146.7 Å²	146.7	80%	0.797	82%	0.822	S	S	*	*			cis	-165.9	151.9	-6.1	-100.4	0	0	0	0	110.7
4	A	34	Very low	32.8	Very low	93 Å²	93	152.1 Å²	152.1	77%	0.769	82%	0.823	S	S	*	*			trans	-162.8	148.4	163.1	0	0	0	0	0	114.9
5	R	33.8	Very low	32.5	Very low	250 Å²	250	150.7 Å²	150.7	94%	0.943	82%	0.815	S	S	*	*			trans	70.9	137.5	156.3	-69	177	177.5	176.7	-1.1	121.9
6	T	34.7	Very low	32.2	Very low	132 Å²	132	148.1 Å²	148.1	81%	0.81	81%	0.805	S	S	*	*			trans	-87.3	171	161.3	40.7	0	0	0	0	110.4
7	P	41.7	Very low	32	Very low	120 Å²	120	150.2 Å²	150.2	78%	0.779	81%	0.809	S	S	*	*			cis	-146.5	-162.1	33	43.9	-21	0	0	0	118.3
8	L	27.3	Very low	31.7	Very low	162 Å²	162	151.5 Å²	151.5	85%	0.848	81%	0.809	S	S	*	*			trans	-46.6	175.3	171.7	-69.8	160	0	0	0	116.5
9	P	42.4	Very low	32.2	Very low	103 Å²	103	149.1 Å²	149.1	67%	0.669	80%	0.802	S	S	*	*			cis	-141.9	-162.5	12.9	27.5	0.2	0	0	0	117
10	T	30	Very low	32.1	Very low	139 Å²	139	147.4 Å²	147.4	85%	0.853	80%	0.797	S	S	*	*			trans	97	146.8	151.7	62	0	0	0	0	122.4
11	L	28.5	Very low	32.1	Very low	160 Å²	160	148.7 Å²	148.7	84%	0.838	80%	0.803	S	S	*	*			trans	-105.3	149.7	170.8	-62.2	130.9	0	0	0	109.1
12	N	28.9	Very low	31.8	Very low	126 Å²	126	139.7 Å²	139.7	67%	0.674	78%	0.775	S	S	*	*				-175.7	152.3	101.4	-113.9	42.2	0	0	0	114.5
13	E	28.9	Very low	31.8	Very low	142 Å²	142	142.9 Å²	142.9	66%	0.664	78%	0.777	S	S	*	*			trans	5.5	132.6	149.1	-55.2	169.1	144.2	0	0	121
14	R	29.7	Very low	31.6	Very low	222 Å²	222	143.2 Å²	143.2	84%	0.838	77%	0.769	S	S	*	*				149.7	150.5	125	-84.3	170.5	-163.8	-174	5.1	109.6
15	D	28	Very low	31.5	Very low	132 Å²	132	145.4 Å²	145.4	71%	0.706	77%	0.768	S	S	*	*			cis	173.1	170.4	-24.9	-119.3	-47.5	0	0	0	104.3
16	T	27.7	Very low	31.3	Very low	108 Å²	108	138.8 Å²	138.8	66%	0.663	76%	0.76	S	S	*	*			trans	55.8	106	158.6	48.4	0	0	0	0	120.5
17	E	28	Very low	31.2	Very low	185 Å²	185	142 Å²	142	86%	0.864	76%	0.763	S	S	*	*				95.4	157	116.1	-71.8	174.8	164	0	0	123.8
18	Q	28	Very low	30.9	Very low	173 Å²	173	141.8 Å²	141.8	81%	0.808	76%	0.762	S	S	*	*			trans	-81.1	-179.8	-175	-67.1	-177.6	1.8	0	0	110.6
19	P	40.6	Very low	31	Very low	106 Å²	106	138.8 Å²	138.8	69%	0.688	75%	0.754	S	S	*	*			cis	-151.9	165	25.3	44.9	-23.1	0	0	0	121.9
20	T	30.3	Very low	30.3	Very low	114 Å²	114	137.7 Å²	137.7	70%	0.699	75%	0.749	S	S	*	*			trans	25.6	134.7	145	64	0	0	0	0	123.1
21	L	31.7	Very low	30.4	Very low	175 Å²	175	140.5 Å²	140.5	92%	0.916	75%	0.75	S	S	*	*				177.6	148.2	107.5	-91.5	160.8	0	0	0	109.6
22	G	26.6	Very low	30.4	Very low	64 Å²	64	137.9 Å²	137.9	66%	0.66	74%	0.744	S	S	*	*			cis	-173.5	-176	-3.7	0	0	0	0	0	112.6
23	H	31.8	Very low	30.3	Very low	181 Å²	181	138.8 Å²	138.8	84%	0.838	75%	0.749	S	S	*	*			trans	15.9	149	154.9	-109.4	-2.9	0	0	0	122.5
24	L	31.8	Very low	30.3	Very low	120 Å²	120	140 Å²	140	63%	0.628	76%	0.757	S	S	*	*			cis	-153.7	165.7	31.8	-108.7	167.5	0	0	0	113
25	D	30.4	Very low	30.4	Very low	139 Å²	139	137.3 Å²	137.3	74%	0.743	76%	0.758	S	S	*	*			trans	57.2	146.4	153.5	-68	-32.7	0	0	0	122.9
26	S	29.5	Very low	30.6	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	77%	0.767	S	S	*	*			cis	-153	172.7	-8.2	52.1	0	0	0	0	111.7
27	K	32.4	Very low	30.6	Very low	199 Å²	199	140.6 Å²	140.6	87%	0.865	77%	0.769	S	S	*	*			trans	-143.5	150.6	-179.8	-89.9	-177.5	177.4	172.1	0	111.9
28	P	36.3	Very low	30.8	Very low	117 Å²	117	142.6 Å²	142.6	76%	0.76	77%	0.769	S	S	*	*				-133.2	150.4	102.2	37.1	-27.4	0	0	0	112.3
29	S	28.6	Very low	31	Very low	98 Å²	98	142.5 Å²	142.5	69%	0.685	77%	0.774	S	S	*	*				70.5	134.2	50.3	126.6	0	0	0	0	113.1
30	S	29.2	Very low	30.6	Very low	81 Å²	81	142.3 Å²	142.3	57%	0.566	78%	0.775	S	S	*	*			cis	-161.6	147.5	22.7	-99.5	0	0	0	0	115.2
31	K	31.8	Very low	30.8	Very low	198 Å²	198	140.9 Å²	140.9	86%	0.861	78%	0.775	S	S	*	*			trans	67.5	154.7	140.7	-63.3	168.2	-169.2	175.3	0	118.4
32	S	27.6	Very low	31	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	77%	0.772	S	S	*	*			cis	-154.6	147.6	6.4	46.6	0	0	0	0	115.2
33	N	26.4	Very low	31.6	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	78%	0.78	S	S	*	*			trans	43.6	118.6	139.4	-64.1	1.9	0	0	0	124.4
34	M	29.6	Very low	32.1	Very low	169 Å²	169	137.2 Å²	137.2	83%	0.833	77%	0.774	S	S	*	*			trans	66.5	145.2	139.2	-54	-162.9	94.9	0	0	117.9
35	I	31.2	Very low	32.8	Very low	165 Å²	165	137 Å²	137	85%	0.846	77%	0.773	S	S	*	*				-141.7	154.2	62.3	-79.2	164	0	0	0	112.8
36	R	34	Very low	33.9	Very low	240 Å²	240	139.5 Å²	139.5	91%	0.906	78%	0.78	S	S	*	*			trans	-93.7	112.7	-179.4	-154	178.2	-165.9	177.6	4.4	110.7
37	G	26.5	Very low	35.6	Very low	69 Å²	69	137.3 Å²	137.3	71%	0.711	76%	0.758	S	S	*	*			trans	-110.2	31.8	-159	0	0	0	0	0	119.6
38	R	32.4	Very low	38.2	Very low	227 Å²	227	131.4 Å²	131.4	86%	0.857	74%	0.74	S	S	*	*			trans	54.4	73.1	158.2	-156.8	-178.9	-157.6	158.8	5.6	118.4	S40	R38-S40 PolarHBondContact O-N 2.83Å
39	N	32.7	Very low	40.8	Very low	171 Å²	171	132.9 Å²	132.9	91%	0.914	74%	0.736	S	S	*	*			trans	-58.1	129.8	155.4	-73.6	4.3	0	0	0	109.6
40	S	31	Very low	43.9	Very low	102 Å²	102	129.4 Å²	129.4	71%	0.713	71%	0.71	S	S	*	*			trans	-129.7	88.7	-174.8	-175.4	0	0	0	0	113	R38	R38-S40 PolarHBondContact O-N 2.83Å
41	A	35.8	Very low	47	Very low	84 Å²	84	127.8 Å²	127.8	69%	0.694	71%	0.706	S	S	*	*			trans	34.9	104	150.8	0	0	0	0	0	119.8
42	T	35.6	Very low	50	Low	138 Å²	138	119.9 Å²	119.9	85%	0.847	67%	0.673	S	S	*	*			trans	-127.3	65	138.2	56.8	0	0	0	0	109.8	A44	T42-A44 PolarHBondContact O-N 3.26Å
43	S	39.6	Very low	53.3	Low	120 Å²	120	115 Å²	115	84%	0.839	64%	0.639	S	S	*	*			trans	-74	68.7	171.8	51.5	0	0	0	0	110.5
44	A	42.5	Very low	56.7	Low	85 Å²	85	114.2 Å²	114.2	70%	0.702	63%	0.625	S	S	*	*			trans	-106.1	82.8	-177.1	0	0	0	0	0	110.5	T42	T42-A44 PolarHBondContact O-N 3.26Å
45	D	45.7	Very low	59.8	Low	115 Å²	115	106.9 Å²	106.9	62%	0.615	59%	0.589	S	S	*	*			trans	28.1	93.4	162.2	-170.1	22.6	0	0	0	115.7	Q47	D45-Q47 PolarHBondContact O-N 3.46Å; D45-Q47 VanDerWaalsContact OD2-CG 3.28Å; D45-Q47 WeakPolarHBondContact OD2-CG 3.4Å; D45-Q47 PolarHBondContact OD2-NE2 2.88Å
46	E	54.2	Low	62.8	Low	191 Å²	191	101 Å²	101	89%	0.893	56%	0.559	S	S	*	*			trans	-71	65.6	177.9	-72.2	-163.6	133.6	0	0	112.5	P48	E46-P48 WeakPolarHBondContact O-CD 3.39Å
47	Q	65.3	Low	65.4	Low	65 Å²	65	91.4 Å²	91.4	30%	0.304	52%	0.524	S	S	.	.			trans	-60.5	115.9	170.3	-64.4	176.1	-1.7	0	0	108.8	D45 R54	D45-Q47 PolarHBondContact O-N 3.46Å; D45-Q47 VanDerWaalsContact OD2-CG 3.28Å; D45-Q47 WeakPolarHBondContact OD2-CG 3.4Å; D45-Q47 PolarHBondContact OD2-NE2 2.88Å; Q47-R54 HydrophobicContact CB-CG 3.81Å
48	P	86.8	Confident	68.5	Low	76 Å²	76	90.3 Å²	90.3	49%	0.494	50%	0.504	S	S	.	.			trans	-63.8	140.8	-165.9	22.8	-33.6	0	0	0	112.2	E46 L55	E46-P48 WeakPolarHBondContact O-CD 3.39Å; P48-L55 WeakPolarHBondContact O-CB 3.18Å; P48-L55 WeakPolarHBondContact O-CG 3.33Å; P48-L55 PolarHBondContact O-N 3.19Å
49	H	90.9	Very high	71.2	Confident	147 Å²	147	80.7 Å²	80.7	68%	0.681	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	151.2	-177.8	56.4	54.1	0	0	0	112.9	Y53	H49-Y53 CarbonylContact C-O 3.56Å; H49-Y53 VanDerWaalsContact CA-O 3.24Å; H49-Y53 WeakPolarHBondContact CA-O 3.4Å
50	I	93.4	Very high	73.8	Confident	25 Å²	25	73.4 Å²	73.4	13%	0.128	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.5	169	-178.4	62.3	0	0	0	108.5	N52 Y53 L55 I119 Y126	I50-N52 PolarHBondContact O-N 3.03Å; I50-Y53 PolarHBondContact N-O 3.04Å; I50-Y53 WeakPolarHBondContact O-CB 3.45Å; I50-Y53 WeakPolarHBondContact O-CD2 3.38Å; I50-Y53 PolarHBondContact O-N 2.89Å; I50-L55 HydrophobicContact CG2-CD1 4.06Å; I50-L55 HydrophobicContact CG2-CD2 3.74Å; I50-L55 HydrophobicContact CG2-CG 3.97Å; I50-I119 HydrophobicContact CD1-CG2 4.19Å; I50-I119 HydrophobicContact CG1-CD1 4.2Å; I50-I119 HydrophobicContact CG1-CG2 4.31Å; I50-Y126 HydrophobicContact CB-CD1 4.48Å; I50-Y126 HydrophobicContact CB-CE1 4.33Å; I50-Y126 HydrophobicContact CD1-CD2 4.22Å; I50-Y126 HydrophobicContact CD1-CE1 4.41Å; I50-Y126 HydrophobicContact CD1-CE2 3.88Å; I50-Y126 HydrophobicContact CG1-CD1 3.92Å; I50-Y126 HydrophobicContact CG1-CD2 4.05Å; I50-Y126 HydrophobicContact CG1-CE1 3.92Å; I50-Y126 HydrophobicContact CG1-CE2 4.07Å; I50-Y126 HydrophobicContact CG1-CG 4Å; I50-Y126 HydrophobicContact CG2-CD1 4.18Å; I50-Y126 HydrophobicContact CG2-CE1 4.35Å
51	G	93.4	Very high	76.4	Confident	47 Å²	47	73.8 Å²	73.8	49%	0.485	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	-135.2	-168	0	0	0	0	0	111.4	Y53	G51-Y53 PolarHBondContact O-N 3.47Å
52	N	95.3	Very high	78.3	Confident	33 Å²	33	72 Å²	72	18%	0.176	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	23.2	176.9	-61.8	-55.4	0	0	0	114	I50 H72 I73 E353	I50-N52 PolarHBondContact O-N 3.03Å; N52-H72 WeakPolarHBondContact CB-NE2 3.19Å; N52-H72 PolarHBondContact O-CD2 2.66Å; N52-I73 WeakPolarHBondContact O-CB 3.33Å; N52-I73 VanDerWaalsContact O-CG1 3.3Å; N52-I73 WeakPolarHBondContact O-CG1 3.23Å; N52-I73 PolarHBondContact O-N 3.42Å; N52-E353 WeakPolarHBondContact ND2-CB 3.16Å; N52-E353 PolarHBondContact ND2-OE2 3.32Å
53	Y	97.8	Very high	80.2	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.3	-175.6	-56	-85.2	0	0	0	112.9	H49 I50 G51 R71 H72 V79 E117 I119 V128 A356 L360	H49-Y53 CarbonylContact C-O 3.56Å; H49-Y53 VanDerWaalsContact CA-O 3.24Å; H49-Y53 WeakPolarHBondContact CA-O 3.4Å; I50-Y53 PolarHBondContact N-O 3.04Å; I50-Y53 WeakPolarHBondContact O-CB 3.45Å; I50-Y53 WeakPolarHBondContact O-CD2 3.38Å; I50-Y53 PolarHBondContact O-N 2.89Å; G51-Y53 PolarHBondContact O-N 3.47Å; Y53-R71 WeakPolarHBondContact CA-O 3.23Å; Y53-H72 HydrophobicContact CD1-CB 3.84Å; Y53-H72 AromaticContact CD1-CD2 3.77Å; Y53-H72 HydrophobicContact CE1-CB 3.61Å; Y53-H72 AromaticContact CE1-CD2 3.29Å; Y53-H72 WeakPolarHBondContact CE1-CD2 3.42Å; Y53-H72 AromaticContact CE1-CG 3.67Å; Y53-H72 AromaticContact CZ-CD2 3.49Å; Y53-H72 VanDerWaalsContact CZ-CD2 3.49Å; Y53-V79 HydrophobicContact CD1-CG2 3.62Å; Y53-V79 HydrophobicContact CE1-CG1 4.48Å; Y53-V79 HydrophobicContact CE1-CG2 3.83Å; Y53-E117 VanDerWaalsContact CE2-OE2 3.25Å; Y53-E117 WeakPolarHBondContact CE2-OE2 3.48Å; Y53-E117 PolarHBondContact OH-OE2 3.39Å; Y53-I119 HydrophobicContact CD2-CD1 4.1Å; Y53-I119 HydrophobicContact CE2-CD1 4.16Å; Y53-V128 HydrophobicContact CD1-CG1 4.24Å; Y53-V128 HydrophobicContact CD2-CG2 4.15Å; Y53-V128 HydrophobicContact CE1-CG1 3.64Å; Y53-V128 HydrophobicContact CE2-CG1 4.28Å; Y53-V128 HydrophobicContact CE2-CG2 3.84Å; Y53-A356 WeakPolarHBondContact OH-CB 3.32Å; Y53-L360 HydrophobicContact CE1-CD1 4.19Å
54	R	96.9	Very high	82.1	Confident	129 Å²	129	72.9 Å²	72.9	49%	0.487	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.8	167.9	-172.6	-177.7	-62.3	-165.1	-4.6	109.4	Q47 L56 A70 R71	Q47-R54 HydrophobicContact CB-CG 3.81Å; R54-L56 HydrophobicContact CG-CD2 4.42Å; R54-A70 CarbonylContact O-C 3.55Å; R54-A70 WeakPolarHBondContact O-CA 3.45Å; R54-A70 VanDerWaalsContact O-CB 3.3Å; R54-A70 WeakPolarHBondContact O-CB 3.34Å; R54-R71 PolarHBondContact N-O 3.36Å; R54-R71 PolarHBondContact O-N 3.02Å
55	L	95.6	Very high	84.2	Confident	16 Å²	16	70 Å²	70	8%	0.084	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.5	-179.3	-59.1	175.9	0	0	0	110.8	P48 I50 K68 A70 V81 I83	P48-L55 WeakPolarHBondContact O-CB 3.18Å; P48-L55 WeakPolarHBondContact O-CG 3.33Å; P48-L55 PolarHBondContact O-N 3.19Å; I50-L55 HydrophobicContact CG2-CD1 4.06Å; I50-L55 HydrophobicContact CG2-CD2 3.74Å; I50-L55 HydrophobicContact CG2-CG 3.97Å; L55-K68 HydrophobicContact CB-CD 3.88Å; L55-K68 HydrophobicContact CD1-CD 4.34Å; L55-K68 HydrophobicContact CG-CD 4.49Å; L55-A70 HydrophobicContact CD2-CB 3.94Å; L55-V81 HydrophobicContact CD2-CB 4.2Å; L55-V81 HydrophobicContact CD2-CG1 4.36Å; L55-V81 HydrophobicContact CD2-CG2 4.06Å; L55-I83 HydrophobicContact CD1-CD1 4.39Å
56	L	93.2	Very high	86.5	Confident	42 Å²	42	69.3 Å²	69.3	22%	0.22	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-143.2	176.9	-51.7	-178.7	0	0	0	109.5	R54 K68 L69	R54-L56 HydrophobicContact CG-CD2 4.42Å; L56-K68 WeakPolarHBondContact O-CD 3.46Å; L56-K68 WeakPolarHBondContact O-CE 3.37Å; L56-K68 PolarHBondContact O-NZ 3.05Å; L56-L69 WeakPolarHBondContact CA-O 3.35Å; L56-L69 HydrophobicContact CB-CB 4.37Å; L56-L69 HydrophobicContact CB-CG 4.44Å; L56-L69 WeakPolarHBondContact CB-O 3.42Å; L56-L69 HydrophobicContact CD1-CD2 4.19Å; L56-L69 HydrophobicContact CD1-CG 4.21Å; L56-L69 PolarHBondContact N-O 3.35Å
57	K	89.8	Confident	88.4	Confident	38 Å²	38	61.8 Å²	61.8	17%	0.165	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	156.6	-176.7	69.4	177.6	-172.2	160.2	0	114.1	I59 K68 L69 M732 E749	K57-I59 HydrophobicContact CG-CG2 4.45Å; K57-K68 WeakPolarHBondContact O-CA 3.48Å; K57-L69 PolarHBondContact O-N 3.28Å; K57-M732 VanDerWaalsContact NZ-CE 3.34Å; K57-M732 PolarHBondContact NZ-SD 3.45Å; K57-E749 WeakPolarHBondContact CD-OE1 3.13Å; K57-E749 WeakPolarHBondContact CE-OE1 3.36Å; K57-E749 IonicContact NZ-OE1 2.68Å; K57-E749 PolarHBondContact NZ-OE1 3.27Å; K57-E749 IonicContact NZ-OE2 2.87Å; K57-E749 PolarHBondContact NZ-OE2 2.96Å
58	T	91.1	Very high	89.8	Confident	46 Å²	46	60.6 Å²	60.6	28%	0.282	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.5	172.3	-53.7	0	0	0	0	109.3	K66	T58-K66 HydrophobicContact CG2-CD 4.2Å; T58-K66 HydrophobicContact CG2-CG 3.76Å
59	I	89.7	Confident	90.2	Very high	24 Å²	24	57.7 Å²	57.7	12%	0.123	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-11	-179.9	60.2	175.4	0	0	0	113.7	K57 V67 L69 A80 Y131	K57-I59 HydrophobicContact CG-CG2 4.45Å; I59-V67 HydrophobicContact CD1-CG1 4Å; I59-V67 HydrophobicContact CG1-CB 4.22Å; I59-V67 HydrophobicContact CG1-CG1 3.81Å; I59-V67 PolarHBondContact N-O 3.27Å; I59-L69 HydrophobicContact CD1-CB 4.33Å; I59-L69 HydrophobicContact CG2-CB 3.75Å; I59-A80 HydrophobicContact CD1-CB 4.11Å; I59-Y131 HydrophobicContact CD1-CD2 3.83Å; I59-Y131 HydrophobicContact CD1-CE2 3.78Å
60	G	87.1	Confident	90.5	Very high	18 Å²	18	50.7 Å²	50.7	19%	0.186	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	150.1	169.6	0	0	0	0	0	111.6	V67 I768	G60-V67 PolarHBondContact N-O 2.89Å; G60-V67 PolarHBondContact O-N 2.76Å; G60-I768 CarbonylContact C-O 3.17Å; G60-I768 WeakPolarHBondContact CA-O 3.39Å
61	K	85.1	Confident	90.7	Very high	110 Å²	110	54.2 Å²	54.2	48%	0.478	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	116.5	179.8	175.4	-169.4	174.4	-167.4	0	109.8	I768 S769	K61-I768 PolarHBondContact N-O 3.03Å; K61-S769 WeakPolarHBondContact O-CB 3.34Å
62	G	76.2	Confident	90.9	Very high	47 Å²	47	52 Å²	52	49%	0.485	26%	0.262	S	S	.	.			trans	-113.4	-174.9	172	0	0	0	0	0	112	F64 A65	G62-F64 PolarHBondContact O-N 3.25Å; G62-A65 PolarHBondContact N-O 3.16Å
63	N	75.1	Confident	90.9	Very high	149 Å²	149	55.1 Å²	55.1	80%	0.797	28%	0.278	S	S	*	.	S	Bend	trans	-65.7	-38.2	-171.8	-62	0.5	0	0	0	113.6
64	F	78.8	Confident	90.6	Very high	127 Å²	127	57.7 Å²	57.7	56%	0.557	29%	0.291	S	S	*	.	S	Bend	trans	-119.1	1.8	-174.3	-50.5	-68.7	0	0	0	113.4	G62 L89	G62-F64 PolarHBondContact O-N 3.25Å; F64-L89 HydrophobicContact CB-CD2 4.2Å; F64-L89 HydrophobicContact CD1-CD2 4.34Å; F64-L89 HydrophobicContact CG-CD2 4.38Å
65	A	88	Confident	90.5	Very high	24 Å²	24	52.7 Å²	52.7	20%	0.198	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	144.5	-172.8	0	0	0	0	0	112.1	G62 K82 I83 I84	G62-A65 PolarHBondContact N-O 3.16Å; A65-K82 HydrophobicContact CB-CG 4.16Å; A65-I83 VanDerWaalsContact CA-O 3.31Å; A65-I83 WeakPolarHBondContact CA-O 3.45Å; A65-I84 HydrophobicContact CB-CG1 4.04Å
66	K	92.3	Very high	90.4	Very high	101 Å²	101	53.6 Å²	53.6	44%	0.439	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.2	173.2	-174.4	-176.3	-60.8	175.6	0	108.8	T58 I83	T58-K66 HydrophobicContact CG2-CD 4.2Å; T58-K66 HydrophobicContact CG2-CG 3.76Å; K66-I83 PolarHBondContact N-O 3.02Å; K66-I83 WeakPolarHBondContact O-CB 3.45Å; K66-I83 PolarHBondContact O-N 3.46Å
67	V	94.1	Very high	90.4	Very high	33 Å²	33	53.5 Å²	53.5	20%	0.2	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123	177.4	-169	0	0	0	0	109.1	I59 G60 A80 V81 K82	I59-V67 HydrophobicContact CD1-CG1 4Å; I59-V67 HydrophobicContact CG1-CB 4.22Å; I59-V67 HydrophobicContact CG1-CG1 3.81Å; I59-V67 PolarHBondContact N-O 3.27Å; G60-V67 PolarHBondContact N-O 2.89Å; G60-V67 PolarHBondContact O-N 2.76Å; V67-A80 HydrophobicContact CG1-CB 4.11Å; V67-V81 WeakPolarHBondContact CA-O 3.35Å; V67-K82 HydrophobicContact CG2-CB 4.27Å; V67-K82 HydrophobicContact CG2-CG 4.28Å
68	K	95.6	Very high	90.7	Very high	41 Å²	41	55.7 Å²	55.7	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147	172.4	-82.2	-161.5	160.9	-145.3	0	111.1	L55 L56 K57 A80 V81 I83	L55-K68 HydrophobicContact CB-CD 3.88Å; L55-K68 HydrophobicContact CD1-CD 4.34Å; L55-K68 HydrophobicContact CG-CD 4.49Å; L56-K68 WeakPolarHBondContact O-CD 3.46Å; L56-K68 WeakPolarHBondContact O-CE 3.37Å; L56-K68 PolarHBondContact O-NZ 3.05Å; K57-K68 WeakPolarHBondContact O-CA 3.48Å; K68-A80 WeakPolarHBondContact O-CA 3.46Å; K68-V81 PolarHBondContact N-O 2.76Å; K68-V81 PolarHBondContact O-N 3.43Å; K68-I83 HydrophobicContact CD-CD1 4.29Å; K68-I83 HydrophobicContact CG-CD1 4.26Å
69	L	95.6	Very high	91	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.9	157.5	-178.7	63.3	0	0	0	108	L56 K57 I59 E78 Y131	L56-L69 WeakPolarHBondContact CA-O 3.35Å; L56-L69 HydrophobicContact CB-CB 4.37Å; L56-L69 HydrophobicContact CB-CG 4.44Å; L56-L69 WeakPolarHBondContact CB-O 3.42Å; L56-L69 HydrophobicContact CD1-CD2 4.19Å; L56-L69 HydrophobicContact CD1-CG 4.21Å; L56-L69 PolarHBondContact N-O 3.35Å; K57-L69 PolarHBondContact O-N 3.28Å; I59-L69 HydrophobicContact CD1-CB 4.33Å; I59-L69 HydrophobicContact CG2-CB 3.75Å; L69-E78 HydrophobicContact CD1-CB 4.16Å; L69-Y131 HydrophobicContact CD1-CD1 3.42Å; L69-Y131 VanDerWaalsContact CD1-CD1 3.42Å; L69-Y131 HydrophobicContact CD1-CD2 4.08Å; L69-Y131 HydrophobicContact CD1-CE1 3.5Å; L69-Y131 HydrophobicContact CD1-CE2 4.18Å; L69-Y131 HydrophobicContact CD1-CG 3.73Å; L69-Y131 HydrophobicContact CD2-CE1 4.43Å
70	A	97.1	Very high	91.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161	172.5	0	0	0	0	0	110.8	R54 L55 E78 V79 V81	R54-A70 CarbonylContact O-C 3.55Å; R54-A70 WeakPolarHBondContact O-CA 3.45Å; R54-A70 VanDerWaalsContact O-CB 3.3Å; R54-A70 WeakPolarHBondContact O-CB 3.34Å; L55-A70 HydrophobicContact CD2-CB 3.94Å; A70-E78 WeakPolarHBondContact O-CA 3.27Å; A70-V79 HydrophobicContact CB-CG2 4Å; A70-V79 PolarHBondContact N-O 3.38Å; A70-V79 PolarHBondContact O-N 3.11Å; A70-V81 HydrophobicContact CB-CG2 3.6Å
71	R	96.8	Very high	91.8	Very high	99 Å²	99	51.9 Å²	51.9	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.5	170.3	-166.1	178	-58.8	-69.7	-6.8	110	Y53 R54 G76 K77 E78	Y53-R71 WeakPolarHBondContact CA-O 3.23Å; R54-R71 PolarHBondContact N-O 3.36Å; R54-R71 PolarHBondContact O-N 3.02Å; R71-G76 WeakPolarHBondContact CD-O 3.3Å; R71-G76 WeakPolarHBondContact CG-O 3.3Å; R71-G76 PolarHBondContact NH1-O 2.84Å; R71-K77 WeakPolarHBondContact CA-O 3.34Å; R71-E78 IonicContact CZ-OE1 2.68Å; R71-E78 IonicContact NH1-OE1 2.78Å; R71-E78 PolarHBondContact NH1-OE1 3.29Å; R71-E78 IonicContact NH2-OE1 3.18Å; R71-E78 PolarHBondContact NH2-OE1 2.62Å
72	H	97	Very high	92.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.5	171	-172.3	-127.1	0	0	0	109.8	N52 Y53 T75 G76 K77 T357 L360	N52-H72 WeakPolarHBondContact CB-NE2 3.19Å; N52-H72 PolarHBondContact O-CD2 2.66Å; Y53-H72 HydrophobicContact CD1-CB 3.84Å; Y53-H72 AromaticContact CD1-CD2 3.77Å; Y53-H72 HydrophobicContact CE1-CB 3.61Å; Y53-H72 AromaticContact CE1-CD2 3.29Å; Y53-H72 WeakPolarHBondContact CE1-CD2 3.42Å; Y53-H72 AromaticContact CE1-CG 3.67Å; Y53-H72 AromaticContact CZ-CD2 3.49Å; Y53-H72 VanDerWaalsContact CZ-CD2 3.49Å; H72-T75 PolarHBondContact ND1-OG1 2.94Å; H72-G76 VanDerWaalsContact O-CA 3.27Å; H72-G76 WeakPolarHBondContact O-CA 3.43Å; H72-G76 PolarHBondContact O-N 3.35Å; H72-K77 PolarHBondContact N-O 2.99Å; H72-T357 PolarHBondContact CE1-OG1 2.67Å; H72-L360 HydrophobicContact CB-CD1 3.93Å
73	I	95.2	Very high	93.2	Very high	98 Å²	98	46.7 Å²	46.7	50%	0.503	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-41.5	-169	-66.2	168.1	0	0	0	111.1	N52	N52-I73 WeakPolarHBondContact O-CB 3.33Å; N52-I73 VanDerWaalsContact O-CG1 3.3Å; N52-I73 WeakPolarHBondContact O-CG1 3.23Å; N52-I73 PolarHBondContact O-N 3.42Å
74	L	93.2	Very high	94.1	Very high	54 Å²	54	40 Å²	40	28%	0.283	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-31.5	-175.1	-54.4	178.1	0	0	0	113.5	M335 Y337	L74-M335 HydrophobicContact CB-SD 4.2Å; L74-M335 WeakPolarHBondContact O-CE 3.14Å; L74-Y337 HydrophobicContact CD1-CE2 4.07Å
75	T	94.2	Very high	94.8	Very high	25 Å²	25	36.3 Å²	36.3	15%	0.153	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-5.1	-174.1	66.9	0	0	0	0	114.3	H72 K77 T357 L360 L361	H72-T75 PolarHBondContact ND1-OG1 2.94Å; T75-K77 PolarHBondContact O-N 3.4Å; T75-K77 WeakPolarHBondContact OG1-CG 3.37Å; T75-T357 HydrophobicContact CG2-CG2 4.09Å; T75-L360 HydrophobicContact CG2-CB 4.37Å; T75-L361 HydrophobicContact CG2-CD2 3.62Å; T75-L361 HydrophobicContact CG2-CG 3.81Å
76	G	93.3	Very high	95	Very high	35 Å²	35	36.8 Å²	36.8	36%	0.361	19%	0.185	S	C	.	.			trans	68.2	-4.2	-178.1	0	0	0	0	0	115.8	R71 H72	R71-G76 WeakPolarHBondContact CD-O 3.3Å; R71-G76 WeakPolarHBondContact CG-O 3.3Å; R71-G76 PolarHBondContact NH1-O 2.84Å; H72-G76 VanDerWaalsContact O-CA 3.27Å; H72-G76 WeakPolarHBondContact O-CA 3.43Å; H72-G76 PolarHBondContact O-N 3.35Å
77	K	93.9	Very high	94.9	Very high	40 Å²	40	36.6 Å²	36.6	17%	0.174	19%	0.192	C	C	.	.			trans	-67.7	146.4	-175.3	-63.6	-73.1	175.3	170.1	0	112.2	R71 H72 T75 L360 Y363 S365	R71-K77 WeakPolarHBondContact CA-O 3.34Å; H72-K77 PolarHBondContact N-O 2.99Å; T75-K77 PolarHBondContact O-N 3.4Å; T75-K77 WeakPolarHBondContact OG1-CG 3.37Å; K77-L360 HydrophobicContact CB-CD2 4.12Å; K77-L360 WeakPolarHBondContact CE-O 3.14Å; K77-L360 HydrophobicContact CG-CB 4.37Å; K77-Y363 WeakPolarHBondContact CE-O 3.48Å; K77-Y363 PolarHBondContact NZ-O 2.92Å; K77-S365 PolarHBondContact NZ-OG 3.03Å
78	E	95.6	Very high	94.5	Very high	84 Å²	84	41.1 Å²	41.1	39%	0.393	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.5	173.1	-63.4	-170.6	-178.8	0	0	111.2	L69 A70 R71 Y131	L69-E78 HydrophobicContact CD1-CB 4.16Å; A70-E78 WeakPolarHBondContact O-CA 3.27Å; R71-E78 IonicContact CZ-OE1 2.68Å; R71-E78 IonicContact NH1-OE1 2.78Å; R71-E78 PolarHBondContact NH1-OE1 3.29Å; R71-E78 IonicContact NH2-OE1 3.18Å; R71-E78 PolarHBondContact NH2-OE1 2.62Å; E78-Y131 HydrophobicContact CB-CD1 4.11Å
79	V	96.9	Very high	94.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.3	-176.3	-63.6	0	0	0	0	110.8	Y53 A70 V81 F116 V128 M129 L360	Y53-V79 HydrophobicContact CD1-CG2 3.62Å; Y53-V79 HydrophobicContact CE1-CG1 4.48Å; Y53-V79 HydrophobicContact CE1-CG2 3.83Å; A70-V79 HydrophobicContact CB-CG2 4Å; A70-V79 PolarHBondContact N-O 3.38Å; A70-V79 PolarHBondContact O-N 3.11Å; V79-V81 HydrophobicContact CG2-CG2 4.28Å; V79-F116 HydrophobicContact CG1-CD2 4.03Å; V79-F116 HydrophobicContact CG1-CE2 4.17Å; V79-V128 HydrophobicContact CB-CG1 3.86Å; V79-V128 HydrophobicContact CG1-CG1 4.17Å; V79-V128 HydrophobicContact CG2-CG1 3.71Å; V79-M129 WeakPolarHBondContact CA-O 3.48Å; V79-M129 WeakPolarHBondContact CB-O 3.48Å; V79-L360 HydrophobicContact CG1-CD1 4.34Å; V79-L360 HydrophobicContact CG1-CD2 3.71Å
80	A	97.1	Very high	93.7	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.1	172.5	0	0	0	0	0	109.8	I59 V67 K68 M129	I59-A80 HydrophobicContact CD1-CB 4.11Å; V67-A80 HydrophobicContact CG1-CB 4.11Å; K68-A80 WeakPolarHBondContact O-CA 3.46Å; A80-M129 HydrophobicContact CB-CE 4.32Å; A80-M129 PolarHBondContact N-O 3.28Å; A80-M129 WeakPolarHBondContact O-CB 3.22Å; A80-M129 PolarHBondContact O-N 2.77Å
81	V	97.4	Very high	93.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.5	179.1	-172.8	0	0	0	0	109.2	L55 V67 K68 A70 V79 I83 Y126 L127 V128	L55-V81 HydrophobicContact CD2-CB 4.2Å; L55-V81 HydrophobicContact CD2-CG1 4.36Å; L55-V81 HydrophobicContact CD2-CG2 4.06Å; V67-V81 WeakPolarHBondContact CA-O 3.35Å; K68-V81 PolarHBondContact N-O 2.76Å; K68-V81 PolarHBondContact O-N 3.43Å; A70-V81 HydrophobicContact CB-CG2 3.6Å; V79-V81 HydrophobicContact CG2-CG2 4.28Å; V81-I83 HydrophobicContact CG1-CG1 4.08Å; V81-I83 PolarHBondContact O-N 3.19Å; V81-Y126 HydrophobicContact CG1-CD1 4.02Å; V81-L127 CarbonylContact C-O 3.56Å; V81-L127 WeakPolarHBondContact CA-O 3.43Å; V81-V128 HydrophobicContact CG2-CG2 4.39Å
82	K	95.6	Very high	92.7	Very high	15 Å²	15	47 Å²	47	7%	0.065	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	106.8	172.9	-177.9	176.9	169.5	-179.7	0	108.2	A65 V67 I84 E100 L127 M129 D193	A65-K82 HydrophobicContact CB-CG 4.16Å; V67-K82 HydrophobicContact CG2-CB 4.27Å; V67-K82 HydrophobicContact CG2-CG 4.28Å; K82-I84 HydrophobicContact CD-CD1 4.2Å; K82-I84 HydrophobicContact CG-CD1 4.01Å; K82-I84 HydrophobicContact CG-CG1 4.01Å; K82-E100 IonicContact NZ-OE1 3.97Å; K82-E100 PolarHBondContact NZ-OE1 3.46Å; K82-E100 IonicContact NZ-OE2 3.81Å; K82-E100 PolarHBondContact NZ-OE2 3.23Å; K82-L127 HydrophobicContact CB-CB 4.34Å; K82-L127 PolarHBondContact N-O 3.36Å; K82-L127 PolarHBondContact O-N 3.37Å; K82-M129 HydrophobicContact CB-CE 3.68Å; K82-M129 HydrophobicContact CB-SD 4.24Å; K82-D193 IonicContact NZ-OD1 2.68Å; K82-D193 PolarHBondContact NZ-OD1 2.81Å
83	I	95.2	Very high	92.2	Very high	34 Å²	34	48.3 Å²	48.3	17%	0.174	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.8	-178	-48.3	177.5	0	0	0	108.7	L55 A65 K66 K68 V81 T124 Y126	L55-I83 HydrophobicContact CD1-CD1 4.39Å; A65-I83 VanDerWaalsContact CA-O 3.31Å; A65-I83 WeakPolarHBondContact CA-O 3.45Å; K66-I83 PolarHBondContact N-O 3.02Å; K66-I83 WeakPolarHBondContact O-CB 3.45Å; K66-I83 PolarHBondContact O-N 3.46Å; K68-I83 HydrophobicContact CD-CD1 4.29Å; K68-I83 HydrophobicContact CG-CD1 4.26Å; V81-I83 HydrophobicContact CG1-CG1 4.08Å; V81-I83 PolarHBondContact O-N 3.19Å; I83-T124 HydrophobicContact CG2-CG2 3.67Å; I83-Y126 HydrophobicContact CB-CD1 4.33Å; I83-Y126 HydrophobicContact CB-CE1 4.42Å; I83-Y126 HydrophobicContact CD1-CD1 4.46Å; I83-Y126 HydrophobicContact CD1-CE1 4.25Å; I83-Y126 HydrophobicContact CG1-CD1 3.87Å; I83-Y126 HydrophobicContact CG1-CE1 4.07Å; I83-Y126 HydrophobicContact CG2-CD1 4Å; I83-Y126 HydrophobicContact CG2-CE1 3.68Å
84	I	94	Very high	91.8	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	119	-170.4	-51.8	171.9	0	0	0	109	A65 K82 K86 L89 L97 T124 L125 L127	A65-I84 HydrophobicContact CB-CG1 4.04Å; K82-I84 HydrophobicContact CD-CD1 4.2Å; K82-I84 HydrophobicContact CG-CD1 4.01Å; K82-I84 HydrophobicContact CG-CG1 4.01Å; I84-K86 PolarHBondContact O-N 3.12Å; I84-L89 HydrophobicContact CG2-CD1 4.06Å; I84-L97 HydrophobicContact CD1-CD1 3.44Å; I84-L97 VanDerWaalsContact CD1-CD1 3.44Å; I84-L97 HydrophobicContact CG2-CD1 4.48Å; I84-L97 HydrophobicContact CG2-CD2 3.88Å; I84-T124 CarbonylContact O-C 3.57Å; I84-T124 WeakPolarHBondContact O-CA 3.29Å; I84-T124 WeakPolarHBondContact O-CG2 3.25Å; I84-L125 PolarHBondContact N-O 3.39Å; I84-L125 PolarHBondContact O-N 2.79Å; I84-L127 HydrophobicContact CD1-CD1 4.16Å; I84-L127 HydrophobicContact CD1-CG 4.4Å
85	D	92.3	Very high	91.5	Very high	51 Å²	51	50 Å²	50	27%	0.273	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	112.2	178.7	-176.4	-15.7	0	0	0	109.9	T87 Q88	D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.24Å; D85-T87 WeakPolarHBondContact OD1-CA 3.26Å; D85-T87 WeakPolarHBondContact OD1-CB 3.44Å; D85-T87 PolarHBondContact OD1-N 2.91Å; D85-T87 PolarHBondContact OD1-OG1 3.44Å; D85-T87 PolarHBondContact OD2-OG1 3.45Å; D85-Q88 HydrophobicContact CB-CG 4.38Å; D85-Q88 PolarHBondContact O-N 3.09Å; D85-Q88 PolarHBondContact OD2-NE2 3.21Å
86	K	91.9	Very high	91.1	Very high	33 Å²	33	52.6 Å²	52.6	14%	0.143	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-69.8	-24.8	-179.8	-66.1	-171.5	-70.9	169.3	0	112.4	I84 Q88 L89 E120 T121 E122 K123 L125	I84-K86 PolarHBondContact O-N 3.12Å; K86-Q88 PolarHBondContact O-N 2.87Å; K86-L89 PolarHBondContact O-N 3.37Å; K86-E120 IonicContact NZ-OE1 2.65Å; K86-E120 PolarHBondContact NZ-OE1 2.94Å; K86-T121 WeakPolarHBondContact CE-O 3.41Å; K86-T121 PolarHBondContact NZ-O 2.99Å; K86-E122 WeakPolarHBondContact CE-O 3.41Å; K86-E122 PolarHBondContact NZ-O 3.04Å; K86-E122 VanDerWaalsContact NZ-O 3.1Å; K86-K123 WeakPolarHBondContact CB-O 3.47Å; K86-K123 PolarHBondContact N-O 3.21Å; K86-L125 HydrophobicContact CG-CB 4.46Å
87	T	90.4	Very high	90.9	Very high	97 Å²	97	51.5 Å²	51.5	60%	0.595	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-70.9	-21.4	-178.4	72.1	0	0	0	0	112.8	D85 K123	D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.24Å; D85-T87 WeakPolarHBondContact OD1-CA 3.26Å; D85-T87 WeakPolarHBondContact OD1-CB 3.44Å; D85-T87 PolarHBondContact OD1-N 2.91Å; D85-T87 PolarHBondContact OD1-OG1 3.44Å; D85-T87 PolarHBondContact OD2-OG1 3.45Å; T87-K123 HydrophobicContact CG2-CB 3.92Å; T87-K123 HydrophobicContact CG2-CG 3.92Å
88	Q	86.3	Confident	90.7	Very high	128 Å²	128	54.3 Å²	54.3	60%	0.598	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-91.5	1.4	176.7	-61.1	-178.1	50.2	0	0	113.2	D85 K86	D85-Q88 HydrophobicContact CB-CG 4.38Å; D85-Q88 PolarHBondContact O-N 3.09Å; D85-Q88 PolarHBondContact OD2-NE2 3.21Å; K86-Q88 PolarHBondContact O-N 2.87Å
89	L	86.3	Confident	90.5	Very high	27 Å²	27	52.7 Å²	52.7	14%	0.141	28%	0.277	C	S	.	.			trans	-103.6	127.2	-177.8	-58.1	-176.5	0	0	0	111.9	F64 I84 K86 L94 L97	F64-L89 HydrophobicContact CB-CD2 4.2Å; F64-L89 HydrophobicContact CD1-CD2 4.34Å; F64-L89 HydrophobicContact CG-CD2 4.38Å; I84-L89 HydrophobicContact CG2-CD1 4.06Å; K86-L89 PolarHBondContact O-N 3.37Å; L89-L94 HydrophobicContact CB-CB 4.42Å; L89-L97 HydrophobicContact CD1-CD2 3.73Å
90	N	88.3	Confident	90.3	Very high	101 Å²	101	53 Å²	53	54%	0.54	28%	0.278	S	S	.	.			trans	-70.3	163	163.3	66.8	63.4	0	0	0	111.2	S92 S93 L94	N90-S92 PolarHBondContact O-N 2.86Å; N90-S92 VanDerWaalsContact O-N 3.1Å; N90-S92 WeakPolarHBondContact OD1-CB 3.43Å; N90-S92 PolarHBondContact OD1-N 3.35Å; N90-S92 VanDerWaalsContact OD1-N 3.11Å; N90-S93 PolarHBondContact O-N 3.38Å; N90-S93 PolarHBondContact OD1-N 3.2Å; N90-S93 PolarHBondContact OD1-OG 2.94Å; N90-L94 PolarHBondContact O-N 3.23Å
91	S	87.4	Confident	90.1	Very high	96 Å²	96	53.5 Å²	53.5	67%	0.671	28%	0.28	S	S	*	.	H	α-helix	trans	-55.3	-33.1	-175.2	-40.7	0	0	0	0	114.2	Q95	S91-Q95 WeakPolarHBondContact O-CB 3.48Å; S91-Q95 WeakPolarHBondContact O-CG 3.24Å; S91-Q95 PolarHBondContact O-N 2.79Å
92	S	86.1	Confident	90	Very high	55 Å²	55	60.2 Å²	60.2	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-72.1	-40.2	176.3	-176.9	0	0	0	0	111.9	N90 L94 Q95 K96	N90-S92 PolarHBondContact O-N 2.86Å; N90-S92 VanDerWaalsContact O-N 3.1Å; N90-S92 WeakPolarHBondContact OD1-CB 3.43Å; N90-S92 PolarHBondContact OD1-N 3.35Å; N90-S92 VanDerWaalsContact OD1-N 3.11Å; S92-L94 VanDerWaalsContact C-N 3.34Å; S92-Q95 PolarHBondContact O-N 3.03Å; S92-K96 VanDerWaalsContact O-CG 3.28Å; S92-K96 WeakPolarHBondContact O-CG 3.45Å; S92-K96 PolarHBondContact O-N 2.93Å; S92-K96 WeakPolarHBondContact OG-CE 3.42Å
93	S	84.9	Confident	90	Very high	28 Å²	28	59.5 Å²	59.5	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-36.2	173.8	-63.5	0	0	0	0	112.1	N90 K96 L97	N90-S93 PolarHBondContact O-N 3.38Å; N90-S93 PolarHBondContact OD1-N 3.2Å; N90-S93 PolarHBondContact OD1-OG 2.94Å; S93-K96 PolarHBondContact O-N 2.88Å; S93-L97 PolarHBondContact O-N 3.25Å
94	L	86.8	Confident	90	Very high	53 Å²	53	58.3 Å²	58.3	28%	0.277	30%	0.297	S	S	.	.	H	α-helix	trans	-68.7	-37.8	175.7	-169.3	150.8	0	0	0	112	L89 N90 S92 L97 F98	L89-L94 HydrophobicContact CB-CB 4.42Å; N90-L94 PolarHBondContact O-N 3.23Å; S92-L94 VanDerWaalsContact C-N 3.34Å; L94-L97 WeakPolarHBondContact O-CB 3.43Å; L94-L97 PolarHBondContact O-N 3.32Å; L94-F98 HydrophobicContact CD2-CD2 3.75Å; L94-F98 HydrophobicContact CD2-CE2 3.41Å; L94-F98 VanDerWaalsContact CD2-CE2 3.41Å; L94-F98 HydrophobicContact CD2-CZ 4.28Å; L94-F98 HydrophobicContact CG-CE2 4.41Å; L94-F98 PolarHBondContact O-N 3.28Å
95	Q	86.8	Confident	90	Very high	134 Å²	134	60.8 Å²	60.8	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-63	-41.8	168.9	-77.9	175.2	-16.1	0	0	112.9	S91 S92 L97 F98 R99	S91-Q95 WeakPolarHBondContact O-CB 3.48Å; S91-Q95 WeakPolarHBondContact O-CG 3.24Å; S91-Q95 PolarHBondContact O-N 2.79Å; S92-Q95 PolarHBondContact O-N 3.03Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 2.96Å; Q95-F98 PolarHBondContact O-N 3.43Å; Q95-R99 PolarHBondContact O-N 3.33Å; Q95-R99 VanDerWaalsContact O-N 3.1Å
96	K	85.9	Confident	90.1	Very high	79 Å²	79	61.6 Å²	61.6	34%	0.343	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-40.3	174.2	-68.4	163.6	-161.2	164.1	0	111	S92 S93 R99 E100	S92-K96 VanDerWaalsContact O-CG 3.28Å; S92-K96 WeakPolarHBondContact O-CG 3.45Å; S92-K96 PolarHBondContact O-N 2.93Å; S92-K96 WeakPolarHBondContact OG-CE 3.42Å; S93-K96 PolarHBondContact O-N 2.88Å; K96-R99 PolarHBondContact O-N 2.77Å; K96-E100 PolarHBondContact O-N 2.96Å
97	L	88.8	Confident	90.3	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-49.4	177.8	179	58.2	0	0	0	112.6	I84 L89 S93 L94 Q95 R99 E100 V101 L125	I84-L97 HydrophobicContact CD1-CD1 3.44Å; I84-L97 VanDerWaalsContact CD1-CD1 3.44Å; I84-L97 HydrophobicContact CG2-CD1 4.48Å; I84-L97 HydrophobicContact CG2-CD2 3.88Å; L89-L97 HydrophobicContact CD1-CD2 3.73Å; S93-L97 PolarHBondContact O-N 3.25Å; L94-L97 WeakPolarHBondContact O-CB 3.43Å; L94-L97 PolarHBondContact O-N 3.32Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 2.96Å; L97-R99 PolarHBondContact O-N 2.92Å; L97-E100 WeakPolarHBondContact O-CB 3.35Å; L97-E100 PolarHBondContact O-N 2.87Å; L97-E100 VanDerWaalsContact O-N 3.14Å; L97-V101 WeakPolarHBondContact O-CG2 3.21Å; L97-V101 PolarHBondContact O-N 3.4Å; L97-L125 HydrophobicContact CD1-CD2 3.99Å; L97-L125 HydrophobicContact CD2-CB 4.46Å; L97-L125 HydrophobicContact CD2-CD2 3.74Å; L97-L125 HydrophobicContact CG-CD2 3.81Å
98	F	89.9	Confident	90.5	Very high	99 Å²	99	57.7 Å²	57.7	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-29	176.4	-72.7	-41.3	0	0	0	112.9	L94 Q95 R102	L94-F98 HydrophobicContact CD2-CD2 3.75Å; L94-F98 HydrophobicContact CD2-CE2 3.41Å; L94-F98 VanDerWaalsContact CD2-CE2 3.41Å; L94-F98 HydrophobicContact CD2-CZ 4.28Å; L94-F98 HydrophobicContact CG-CE2 4.41Å; L94-F98 PolarHBondContact O-N 3.28Å; Q95-F98 PolarHBondContact O-N 3.43Å; F98-R102 PolarHBondContact O-N 3.48Å
99	R	91.9	Very high	91	Very high	50 Å²	50	52 Å²	52	19%	0.189	26%	0.264	C	S	.	.	H	α-helix	trans	-71	-40.6	170.6	-169.5	-179.5	62.4	-125.7	-2.9	112.4	Q95 K96 L97 V101 R102 I103 S197 N198	Q95-R99 PolarHBondContact O-N 3.33Å; Q95-R99 VanDerWaalsContact O-N 3.1Å; K96-R99 PolarHBondContact O-N 2.77Å; L97-R99 PolarHBondContact O-N 2.92Å; R99-V101 VanDerWaalsContact C-N 3.31Å; R99-V101 PolarHBondContact O-N 2.88Å; R99-R102 PolarHBondContact O-N 2.94Å; R99-I103 HydrophobicContact CG-CD1 3.82Å; R99-I103 HydrophobicContact CG-CG1 4.34Å; R99-I103 WeakPolarHBondContact O-CB 3.34Å; R99-I103 WeakPolarHBondContact O-CG1 3.41Å; R99-I103 PolarHBondContact O-N 2.87Å; R99-S197 VanDerWaalsContact CZ-O 3.22Å; R99-S197 PolarHBondContact NE-O 3.06Å; R99-S197 PolarHBondContact NH2-O 2.67Å; R99-N198 WeakPolarHBondContact CD-OD1 3.05Å; R99-N198 PolarHBondContact NE-OD1 3.36Å; R99-N198 PolarHBondContact NH1-OD1 3.07Å; R99-N198 VanDerWaalsContact NH1-OD1 3.13Å
100	E	92.1	Very high	91.4	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-55	-49	171.9	178.6	176	-167.6	0	0	110.1	K82 K96 L97 R102 I103 M104 F194 G195	K82-E100 IonicContact NZ-OE1 3.97Å; K82-E100 PolarHBondContact NZ-OE1 3.46Å; K82-E100 IonicContact NZ-OE2 3.81Å; K82-E100 PolarHBondContact NZ-OE2 3.23Å; K96-E100 PolarHBondContact O-N 2.96Å; L97-E100 WeakPolarHBondContact O-CB 3.35Å; L97-E100 PolarHBondContact O-N 2.87Å; L97-E100 VanDerWaalsContact O-N 3.14Å; E100-R102 PolarHBondContact O-N 3.38Å; E100-I103 PolarHBondContact O-N 3.08Å; E100-M104 HydrophobicContact CG-CG 4.4Å; E100-M104 HydrophobicContact CG-SD 4.19Å; E100-M104 WeakPolarHBondContact O-CB 3.41Å; E100-M104 WeakPolarHBondContact O-CG 3.3Å; E100-M104 PolarHBondContact O-N 3.07Å; E100-F194 HydrophobicContact CG-CB 4.08Å; E100-F194 PolarHBondContact OE1-N 2.9Å; E100-G195 PolarHBondContact OE1-N 2.84Å; E100-G195 WeakPolarHBondContact OE2-CA 3.34Å
101	V	93.9	Very high	91.9	Very high	16 Å²	16	49.8 Å²	49.8	10%	0.097	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-47.6	176.7	176.6	0	0	0	0	111.9	L97 R99 I103 M104 K105 V118 L125 L127	L97-V101 WeakPolarHBondContact O-CG2 3.21Å; L97-V101 PolarHBondContact O-N 3.4Å; R99-V101 VanDerWaalsContact C-N 3.31Å; R99-V101 PolarHBondContact O-N 2.88Å; V101-I103 PolarHBondContact O-N 3.07Å; V101-M104 PolarHBondContact O-N 3.24Å; V101-K105 WeakPolarHBondContact O-CG 3.42Å; V101-K105 PolarHBondContact O-N 3.43Å; V101-V118 HydrophobicContact CG1-CG1 4.44Å; V101-V118 HydrophobicContact CG1-CG2 3.95Å; V101-L125 HydrophobicContact CG2-CD2 3.99Å; V101-L127 HydrophobicContact CG2-CD1 4.18Å; V101-L127 HydrophobicContact CG2-CD2 3.67Å
102	R	95.1	Very high	92.4	Very high	141 Å²	141	45.4 Å²	45.4	53%	0.532	23%	0.225	S	C	.	.	H	α-helix	trans	-59.6	-45.9	178.2	-172.8	-159.9	-66.7	168.6	-6.6	111.8	F98 R99 E100 K105 V106 E199	F98-R102 PolarHBondContact O-N 3.48Å; R99-R102 PolarHBondContact O-N 2.94Å; E100-R102 PolarHBondContact O-N 3.38Å; R102-K105 PolarHBondContact O-N 2.63Å; R102-V106 PolarHBondContact O-N 3.27Å; R102-E199 VanDerWaalsContact CD-OE1 3.23Å; R102-E199 WeakPolarHBondContact CD-OE1 3.33Å; R102-E199 IonicContact CZ-OE1 3.41Å; R102-E199 IonicContact NE-OE1 3.62Å; R102-E199 IonicContact NH1-OE1 2.65Å; R102-E199 PolarHBondContact NH1-OE1 2.63Å; R102-E199 IonicContact NH1-OE2 2.69Å; R102-E199 PolarHBondContact NH1-OE2 3.47Å
103	I	95.3	Very high	92.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-45.5	179.1	-76.9	173.8	0	0	0	110.3	R99 E100 V101 K105 V106 L107 I171 F194 S197	R99-I103 HydrophobicContact CG-CD1 3.82Å; R99-I103 HydrophobicContact CG-CG1 4.34Å; R99-I103 WeakPolarHBondContact O-CB 3.34Å; R99-I103 WeakPolarHBondContact O-CG1 3.41Å; R99-I103 PolarHBondContact O-N 2.87Å; E100-I103 PolarHBondContact O-N 3.08Å; V101-I103 PolarHBondContact O-N 3.07Å; I103-K105 VanDerWaalsContact C-N 3.27Å; I103-K105 PolarHBondContact O-N 3.26Å; I103-V106 VanDerWaalsContact O-CG2 3.31Å; I103-V106 WeakPolarHBondContact O-CG2 3.48Å; I103-V106 PolarHBondContact O-N 3.25Å; I103-V106 VanDerWaalsContact O-N 3.09Å; I103-L107 HydrophobicContact CG2-CD1 3.6Å; I103-L107 HydrophobicContact CG2-CG 4.34Å; I103-L107 WeakPolarHBondContact O-CG 3.28Å; I103-L107 PolarHBondContact O-N 3.01Å; I103-I171 HydrophobicContact CD1-CG1 4.46Å; I103-I171 HydrophobicContact CD1-CG2 4.22Å; I103-I171 HydrophobicContact CG1-CD1 4.31Å; I103-I171 HydrophobicContact CG1-CG1 4.22Å; I103-I171 HydrophobicContact CG2-CD1 4.21Å; I103-I171 HydrophobicContact CG2-CG2 3.83Å; I103-F194 HydrophobicContact CG2-CB 4.39Å; I103-F194 HydrophobicContact CG2-CD1 3.76Å; I103-F194 HydrophobicContact CG2-CE1 4.48Å; I103-F194 HydrophobicContact CG2-CG 4.32Å; I103-S197 VanDerWaalsContact CD1-OG 3.22Å; I103-S197 WeakPolarHBondContact CD1-OG 3.48Å
104	M	95.3	Very high	93.3	Very high	9 Å²	9	44.4 Å²	44.4	4%	0.044	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-28.5	175.7	-72.2	-168.7	77.7	0	0	113.8	E100 V101 V106 L115 L127 M129 F194	E100-M104 HydrophobicContact CG-CG 4.4Å; E100-M104 HydrophobicContact CG-SD 4.19Å; E100-M104 WeakPolarHBondContact O-CB 3.41Å; E100-M104 WeakPolarHBondContact O-CG 3.3Å; E100-M104 PolarHBondContact O-N 3.07Å; V101-M104 PolarHBondContact O-N 3.24Å; M104-V106 VanDerWaalsContact C-N 3.3Å; M104-V106 PolarHBondContact O-N 3.28Å; M104-L115 HydrophobicContact CB-CB 4.27Å; M104-L115 HydrophobicContact CB-CD2 4.07Å; M104-L115 HydrophobicContact CE-CB 4.26Å; M104-L115 HydrophobicContact CE-CD1 4.31Å; M104-L127 HydrophobicContact SD-CD1 4.41Å; M104-M129 HydrophobicContact CE-CG 4.04Å; M104-M129 HydrophobicContact CE-SD 3.66Å; M104-M129 HydrophobicContact SD-SD 4.38Å; M104-F194 HydrophobicContact CG-CB 4.4Å
105	K	94.8	Very high	93.8	Very high	59 Å²	59	41.9 Å²	41.9	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-71.5	-17.2	173.3	-76	-166.1	170.1	-157.2	0	114.2	V101 R102 I103 L115 R350 Y351	V101-K105 WeakPolarHBondContact O-CG 3.42Å; V101-K105 PolarHBondContact O-N 3.43Å; R102-K105 PolarHBondContact O-N 2.63Å; I103-K105 VanDerWaalsContact C-N 3.27Å; I103-K105 PolarHBondContact O-N 3.26Å; K105-L115 HydrophobicContact CG-CD2 3.75Å; K105-R350 PolarHBondContact NZ-O 3.39Å; K105-Y351 HydrophobicContact CB-CD2 4.38Å; K105-Y351 HydrophobicContact CB-CE2 3.83Å; K105-Y351 HydrophobicContact CD-CD2 3.57Å; K105-Y351 HydrophobicContact CD-CE2 3.88Å; K105-Y351 HydrophobicContact CD-CG 4.3Å; K105-Y351 HydrophobicContact CG-CD2 3.62Å; K105-Y351 HydrophobicContact CG-CE2 3.56Å; K105-Y351 HydrophobicContact CG-CG 4.17Å; K105-Y351 PolarHBondContact O-OH 2.91Å
106	V	94.4	Very high	94.3	Very high	67 Å²	67	35.6 Å²	35.6	41%	0.406	17%	0.168	S	C	.	.	H	α-helix	trans	-111.7	-0.5	-179.1	-58.4	0	0	0	0	114.3	R102 I103 M104 K169 I171	R102-V106 PolarHBondContact O-N 3.27Å; I103-V106 VanDerWaalsContact O-CG2 3.31Å; I103-V106 WeakPolarHBondContact O-CG2 3.48Å; I103-V106 PolarHBondContact O-N 3.25Å; I103-V106 VanDerWaalsContact O-N 3.09Å; M104-V106 VanDerWaalsContact C-N 3.3Å; M104-V106 PolarHBondContact O-N 3.28Å; V106-K169 PolarHBondContact O-NZ 2.96Å; V106-I171 HydrophobicContact CG2-CD1 3.81Å
107	L	95.2	Very high	94.9	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.037	15%	0.154	C	C	.	.			trans	-101.5	122.2	178.5	-67.7	174	0	0	0	111.5	I103 I112 Y165 I171 F194	I103-L107 HydrophobicContact CG2-CD1 3.6Å; I103-L107 HydrophobicContact CG2-CG 4.34Å; I103-L107 WeakPolarHBondContact O-CG 3.28Å; I103-L107 PolarHBondContact O-N 3.01Å; L107-I112 HydrophobicContact CB-CD1 4.49Å; L107-I112 HydrophobicContact CB-CG2 4.42Å; L107-I112 HydrophobicContact CD2-CD1 4.37Å; L107-Y165 HydrophobicContact CB-CE1 4.36Å; L107-Y165 HydrophobicContact CD2-CD1 4.04Å; L107-Y165 HydrophobicContact CD2-CE1 3.54Å; L107-I171 HydrophobicContact CD2-CD1 3.97Å; L107-I171 HydrophobicContact CG-CD1 4.26Å; L107-F194 HydrophobicContact CD1-CD1 3.77Å; L107-F194 HydrophobicContact CD1-CE1 3.27Å; L107-F194 HydrophobicContact CD1-CE2 4.37Å; L107-F194 HydrophobicContact CD1-CG 4.49Å; L107-F194 HydrophobicContact CD1-CZ 3.64Å
108	N	94.1	Very high	95.3	Very high	41 Å²	41	33.4 Å²	33.4	22%	0.219	16%	0.161	C	C	.	.			trans	-146.6	71	-172.8	178.6	44.6	0	0	0	109.3	K114 Y165 E318	N108-K114 PolarHBondContact OD1-NZ 2.89Å; N108-Y165 PolarHBondContact N-OH 3.02Å; N108-E318 WeakPolarHBondContact CB-OE1 3.2Å; N108-E318 PolarHBondContact ND2-OE1 3.08Å
109	H	96.8	Very high	95.6	Very high	9 Å²	9	29.9 Å²	29.9	4%	0.042	15%	0.147	C	C	.	.			trans	-125.4	140.9	-178.7	178.1	-80.8	0	0	0	109	N111 I112 S161 A162 Y165 Y316	H109-N111 PolarHBondContact ND1-N 2.89Å; H109-N111 PolarHBondContact O-N 2.68Å; H109-I112 HydrophobicContact CB-CB 4.34Å; H109-I112 HydrophobicContact CB-CD1 3.86Å; H109-I112 HydrophobicContact CB-CG1 3.97Å; H109-I112 PolarHBondContact O-N 3.48Å; H109-S161 PolarHBondContact NE2-OG 3.01Å; H109-A162 VanDerWaalsContact CE1-CA 3.48Å; H109-A162 WeakPolarHBondContact CE1-CA 3.34Å; H109-A162 PolarHBondContact CE1-N 3.45Å; H109-A162 PolarHBondContact NE2-N 3.41Å; H109-Y165 HydrophobicContact CB-CD1 3.64Å; H109-Y165 HydrophobicContact CB-CE1 3.74Å; H109-Y165 HydrophobicContact CB-CG 4.17Å; H109-Y165 AromaticContact CD2-CG 3.95Å; H109-Y316 HydrophobicContact CB-CE1 4.37Å; H109-Y316 AromaticContact CD2-CD1 3.43Å; H109-Y316 VanDerWaalsContact CD2-CD1 3.43Å; H109-Y316 WeakPolarHBondContact CD2-CD1 3.27Å; H109-Y316 AromaticContact CD2-CD2 3.92Å; H109-Y316 AromaticContact CD2-CE1 3.96Å; H109-Y316 AromaticContact CD2-CG 3.39Å; H109-Y316 AromaticContact NE2-CG 3.8Å
110	P	96.1	Very high	95.8	Very high	66 Å²	66	32.1 Å²	32.1	43%	0.429	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.7	-173.3	21.8	-34.9	0	0	0	114.4	K190 Y316	P110-K190 WeakPolarHBondContact O-CE 3.42Å; P110-K190 PolarHBondContact O-NZ 3.34Å; P110-Y316 VanDerWaalsContact CD-CZ 3.48Å; P110-Y316 HydrophobicContact CG-CE2 4.05Å
111	N	97.6	Very high	95.9	Very high	16 Å²	16	34.5 Å²	34.5	9%	0.086	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	19.4	178.4	-55.7	110.5	0	0	0	115.1	H109 Q158 A162 I189 K190 I191	H109-N111 PolarHBondContact ND1-N 2.89Å; H109-N111 PolarHBondContact O-N 2.68Å; N111-Q158 HydrophobicContact CB-CB 4.28Å; N111-A162 HydrophobicContact CB-CB 4.27Å; N111-I189 WeakPolarHBondContact CA-O 3.46Å; N111-I189 HydrophobicContact CB-CB 4.44Å; N111-I189 HydrophobicContact CB-CG2 4.38Å; N111-I189 WeakPolarHBondContact CB-O 3.16Å; N111-I189 PolarHBondContact ND2-O 2.68Å; N111-K190 WeakPolarHBondContact O-CA 3.38Å; N111-I191 PolarHBondContact O-N 2.87Å
112	I	97.6	Very high	95.8	Very high	4 Å²	4	42 Å²	42	2%	0.021	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-115	141	169.4	-62.8	-179.8	0	0	0	108.1	L107 H109 K114 A162 Y165 F194	L107-I112 HydrophobicContact CB-CD1 4.49Å; L107-I112 HydrophobicContact CB-CG2 4.42Å; L107-I112 HydrophobicContact CD2-CD1 4.37Å; H109-I112 HydrophobicContact CB-CB 4.34Å; H109-I112 HydrophobicContact CB-CD1 3.86Å; H109-I112 HydrophobicContact CB-CG1 3.97Å; H109-I112 PolarHBondContact O-N 3.48Å; I112-K114 PolarHBondContact O-N 3.22Å; I112-K114 VanDerWaalsContact O-N 3.13Å; I112-A162 HydrophobicContact CD1-CB 4.3Å; I112-A162 HydrophobicContact CG1-CB 3.85Å; I112-Y165 HydrophobicContact CD1-CD1 3.91Å; I112-Y165 HydrophobicContact CD1-CE1 4.22Å; I112-F194 HydrophobicContact CD1-CZ 4.37Å; I112-F194 HydrophobicContact CG2-CE2 3.74Å; I112-F194 HydrophobicContact CG2-CZ 3.8Å
113	V	96.4	Very high	95.7	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	21%	0.21	C	C	.	.			trans	-62.1	112.1	174.2	168.3	0	0	0	0	109.7	M129 E130 K190 I191 A192	V113-M129 HydrophobicContact CG1-CB 3.79Å; V113-M129 HydrophobicContact CG1-SD 4.44Å; V113-E130 HydrophobicContact CG1-CB 4.15Å; V113-K190 HydrophobicContact CG2-CB 3.95Å; V113-I191 WeakPolarHBondContact CG2-O 3.49Å; V113-I191 PolarHBondContact N-O 2.68Å; V113-A192 HydrophobicContact CG2-CB 3.86Å
114	K	95.4	Very high	95.6	Very high	51 Å²	51	42.6 Å²	42.6	22%	0.222	22%	0.217	C	C	.	.			trans	-73.9	140.2	-178.6	-173.8	154.6	-173.9	161.3	0	112.1	N108 I112 F116 M129 E130	N108-K114 PolarHBondContact OD1-NZ 2.89Å; I112-K114 PolarHBondContact O-N 3.22Å; I112-K114 VanDerWaalsContact O-N 3.13Å; K114-F116 HydrophobicContact CG-CE1 4.29Å; K114-M129 CarbonylContact O-C 3.5Å; K114-M129 VanDerWaalsContact O-CA 3.27Å; K114-M129 WeakPolarHBondContact O-CA 3.44Å; K114-E130 HydrophobicContact CB-CB 4.42Å; K114-E130 PolarHBondContact O-N 2.68Å
115	L	97	Very high	95.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	140	167.2	-173	70.4	0	0	0	110.1	M104 K105 V118 L127 M129 Y351	M104-L115 HydrophobicContact CB-CB 4.27Å; M104-L115 HydrophobicContact CB-CD2 4.07Å; M104-L115 HydrophobicContact CE-CB 4.26Å; M104-L115 HydrophobicContact CE-CD1 4.31Å; K105-L115 HydrophobicContact CG-CD2 3.75Å; L115-V118 HydrophobicContact CD1-CG2 4.33Å; L115-V118 HydrophobicContact CD2-CG2 3.88Å; L115-V118 HydrophobicContact CG-CG2 4.47Å; L115-L127 HydrophobicContact CD1-CB 4.15Å; L115-M129 HydrophobicContact CD1-CG 4.3Å; L115-Y351 HydrophobicContact CB-CD1 4.33Å; L115-Y351 HydrophobicContact CB-CE1 4.03Å; L115-Y351 HydrophobicContact CD2-CD1 3.8Å; L115-Y351 HydrophobicContact CD2-CE1 3.97Å; L115-Y351 HydrophobicContact CD2-CG 4.32Å; L115-Y351 HydrophobicContact CG-CD1 3.86Å; L115-Y351 HydrophobicContact CG-CE1 4.05Å; L115-Y351 WeakPolarHBondContact O-CE1 3.29Å
116	F	97.1	Very high	95.7	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-44.7	173.6	-61.4	-56.2	0	0	0	112.2	V79 K114 V128 E130 A356 L359 L360 Y363	V79-F116 HydrophobicContact CG1-CD2 4.03Å; V79-F116 HydrophobicContact CG1-CE2 4.17Å; K114-F116 HydrophobicContact CG-CE1 4.29Å; F116-V128 HydrophobicContact CB-CG1 4.45Å; F116-V128 PolarHBondContact N-O 3Å; F116-E130 HydrophobicContact CE2-CB 4.32Å; F116-A356 HydrophobicContact CB-CB 4.36Å; F116-A356 WeakPolarHBondContact O-CB 3.17Å; F116-L359 HydrophobicContact CD1-CB 3.84Å; F116-L359 HydrophobicContact CD1-CD1 4.28Å; F116-L359 HydrophobicContact CE1-CB 4.29Å; F116-L360 HydrophobicContact CD1-CD2 4.21Å; F116-L360 HydrophobicContact CD1-CG 4.38Å; F116-L360 HydrophobicContact CD2-CD2 3.7Å; F116-L360 HydrophobicContact CD2-CG 4.39Å; F116-L360 HydrophobicContact CE1-CD2 4.14Å; F116-L360 HydrophobicContact CE2-CD2 3.6Å; F116-L360 HydrophobicContact CG-CD2 4Å; F116-L360 HydrophobicContact CG-CG 4.24Å; F116-L360 HydrophobicContact CZ-CD2 3.85Å; F116-Y363 AromaticContact CE1-CD2 3.97Å; F116-Y363 HydrophobicContact CE1-CD2 3.97Å; F116-Y363 HydrophobicContact CE1-CG 4.43Å; F116-Y363 AromaticContact CZ-CD2 3.67Å; F116-Y363 HydrophobicContact CZ-CD2 3.67Å; F116-Y363 HydrophobicContact CZ-CE2 4.06Å; F116-Y363 AromaticContact CZ-CG 3.97Å; F116-Y363 HydrophobicContact CZ-CG 3.97Å
117	E	97.9	Very high	95.8	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.8	-176.3	-149.8	175	141.4	0	0	112.6	Y53 I119 V128 Y351 E353 A356	Y53-E117 VanDerWaalsContact CE2-OE2 3.25Å; Y53-E117 WeakPolarHBondContact CE2-OE2 3.48Å; Y53-E117 PolarHBondContact OH-OE2 3.39Å; E117-I119 HydrophobicContact CG-CG1 4.2Å; E117-I119 VanDerWaalsContact OE1-CG1 3.29Å; E117-I119 WeakPolarHBondContact OE1-CG1 3.49Å; E117-V128 HydrophobicContact CB-CB 3.83Å; E117-V128 HydrophobicContact CB-CG2 3.92Å; E117-V128 PolarHBondContact N-O 3.17Å; E117-V128 PolarHBondContact O-N 3.24Å; E117-Y351 WeakPolarHBondContact CA-O 3.25Å; E117-Y351 VanDerWaalsContact CG-O 3.31Å; E117-Y351 WeakPolarHBondContact CG-O 3.44Å; E117-E353 VanDerWaalsContact CD-N 3.28Å; E117-E353 PolarHBondContact OE1-N 2.98Å; E117-E353 VanDerWaalsContact OE2-CA 3.3Å; E117-E353 WeakPolarHBondContact OE2-CA 3.44Å; E117-A356 HydrophobicContact CB-CB 3.72Å; E117-A356 HydrophobicContact CG-CB 3.89Å; E117-A356 VanDerWaalsContact OE2-CB 3.22Å; E117-A356 WeakPolarHBondContact OE2-CB 3.4Å
118	V	97.6	Very high	95.9	Very high	33 Å²	33	37.8 Å²	37.8	20%	0.2	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.6	169.1	-177	0	0	0	0	108.2	V101 L115 L125 L127 Y351	V101-V118 HydrophobicContact CG1-CG1 4.44Å; V101-V118 HydrophobicContact CG1-CG2 3.95Å; L115-V118 HydrophobicContact CD1-CG2 4.33Å; L115-V118 HydrophobicContact CD2-CG2 3.88Å; L115-V118 HydrophobicContact CG-CG2 4.47Å; V118-L125 HydrophobicContact CG1-CD1 3.79Å; V118-L127 HydrophobicContact CG1-CD2 4Å; V118-L127 HydrophobicContact CG2-CD2 4.15Å; V118-Y351 PolarHBondContact N-O 2.87Å
119	I	96.9	Very high	96.1	Very high	26 Å²	26	36.7 Å²	36.7	13%	0.133	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.1	175.4	-53.1	169.7	0	0	0	107.8	I50 Y53 E117 Y126 V128	I50-I119 HydrophobicContact CD1-CG2 4.19Å; I50-I119 HydrophobicContact CG1-CD1 4.2Å; I50-I119 HydrophobicContact CG1-CG2 4.31Å; Y53-I119 HydrophobicContact CD2-CD1 4.1Å; Y53-I119 HydrophobicContact CE2-CD1 4.16Å; E117-I119 HydrophobicContact CG-CG1 4.2Å; E117-I119 VanDerWaalsContact OE1-CG1 3.29Å; E117-I119 WeakPolarHBondContact OE1-CG1 3.49Å; I119-Y126 PolarHBondContact N-O 2.79Å; I119-Y126 PolarHBondContact O-N 3.01Å; I119-V128 HydrophobicContact CD1-CG2 4.48Å
120	E	94.8	Very high	96	Very high	97 Å²	97	36.8 Å²	36.8	45%	0.453	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.7	179.6	-173.1	162.6	-168.3	0	0	111.1	K86 L125	K86-E120 IonicContact NZ-OE1 2.65Å; K86-E120 PolarHBondContact NZ-OE1 2.94Å; E120-L125 HydrophobicContact CB-CD1 3.63Å; E120-L125 HydrophobicContact CG-CD1 3.84Å
121	T	93.8	Very high	96	Very high	57 Å²	57	35.9 Å²	35.9	35%	0.35	17%	0.172	S	C	.	.			trans	-116.1	174.4	166	74.7	0	0	0	0	109.1	K86 K123 T124 Y126	K86-T121 WeakPolarHBondContact CE-O 3.41Å; K86-T121 PolarHBondContact NZ-O 2.99Å; T121-K123 PolarHBondContact O-N 3.18Å; T121-T124 PolarHBondContact N-O 3.31Å; T121-T124 PolarHBondContact OG1-N 3.2Å; T121-T124 VanDerWaalsContact OG1-N 3.09Å; T121-T124 PolarHBondContact OG1-O 2.97Å; T121-Y126 HydrophobicContact CG2-CE2 4.17Å
122	E	92.2	Very high	95.8	Very high	173 Å²	173	35.7 Å²	35.7	81%	0.808	17%	0.173	S	C	*	.	S	Bend	trans	-50.7	-43.4	176.1	-62.7	-180	166.2	0	0	112.9	K86	K86-E122 WeakPolarHBondContact CE-O 3.41Å; K86-E122 PolarHBondContact NZ-O 3.04Å; K86-E122 VanDerWaalsContact NZ-O 3.1Å
123	K	92.5	Very high	95.4	Very high	130 Å²	130	37.3 Å²	37.3	57%	0.565	18%	0.184	S	C	*	.	S	Bend	trans	-106.2	-18.1	-168.9	-62.7	177.1	-173.7	173.8	0	114	K86 T87 T121	K86-K123 WeakPolarHBondContact CB-O 3.47Å; K86-K123 PolarHBondContact N-O 3.21Å; T87-K123 HydrophobicContact CG2-CB 3.92Å; T87-K123 HydrophobicContact CG2-CG 3.92Å; T121-K123 PolarHBondContact O-N 3.18Å
124	T	93.8	Very high	94.8	Very high	26 Å²	26	37 Å²	37	16%	0.16	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.9	-169.6	-44.3	0	0	0	0	111.3	I83 I84 T121 Y126	I83-T124 HydrophobicContact CG2-CG2 3.67Å; I84-T124 CarbonylContact O-C 3.57Å; I84-T124 WeakPolarHBondContact O-CA 3.29Å; I84-T124 WeakPolarHBondContact O-CG2 3.25Å; T121-T124 PolarHBondContact N-O 3.31Å; T121-T124 PolarHBondContact OG1-N 3.2Å; T121-T124 VanDerWaalsContact OG1-N 3.09Å; T121-T124 PolarHBondContact OG1-O 2.97Å; T124-Y126 HydrophobicContact CG2-CD2 4.07Å; T124-Y126 HydrophobicContact CG2-CE1 4.23Å; T124-Y126 HydrophobicContact CG2-CE2 3.5Å; T124-Y126 VanDerWaalsContact CG2-CE2 3.5Å
125	L	95.3	Very high	94.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.6	168	-168.9	67.6	0	0	0	109.5	I84 K86 L97 V101 V118 E120 L127	I84-L125 PolarHBondContact N-O 3.39Å; I84-L125 PolarHBondContact O-N 2.79Å; K86-L125 HydrophobicContact CG-CB 4.46Å; L97-L125 HydrophobicContact CD1-CD2 3.99Å; L97-L125 HydrophobicContact CD2-CB 4.46Å; L97-L125 HydrophobicContact CD2-CD2 3.74Å; L97-L125 HydrophobicContact CG-CD2 3.81Å; V101-L125 HydrophobicContact CG2-CD2 3.99Å; V118-L125 HydrophobicContact CG1-CD1 3.79Å; E120-L125 HydrophobicContact CB-CD1 3.63Å; E120-L125 HydrophobicContact CG-CD1 3.84Å; L125-L127 HydrophobicContact CD2-CD2 3.97Å; L125-L127 HydrophobicContact CG-CD2 4.01Å
126	Y	96.7	Very high	94	Very high	39 Å²	39	36 Å²	36	15%	0.153	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.3	178.1	-57.3	-103.6	0	0	0	108.7	I50 V81 I83 I119 T121 T124	I50-Y126 HydrophobicContact CB-CD1 4.48Å; I50-Y126 HydrophobicContact CB-CE1 4.33Å; I50-Y126 HydrophobicContact CD1-CD2 4.22Å; I50-Y126 HydrophobicContact CD1-CE1 4.41Å; I50-Y126 HydrophobicContact CD1-CE2 3.88Å; I50-Y126 HydrophobicContact CG1-CD1 3.92Å; I50-Y126 HydrophobicContact CG1-CD2 4.05Å; I50-Y126 HydrophobicContact CG1-CE1 3.92Å; I50-Y126 HydrophobicContact CG1-CE2 4.07Å; I50-Y126 HydrophobicContact CG1-CG 4Å; I50-Y126 HydrophobicContact CG2-CD1 4.18Å; I50-Y126 HydrophobicContact CG2-CE1 4.35Å; V81-Y126 HydrophobicContact CG1-CD1 4.02Å; I83-Y126 HydrophobicContact CB-CD1 4.33Å; I83-Y126 HydrophobicContact CB-CE1 4.42Å; I83-Y126 HydrophobicContact CD1-CD1 4.46Å; I83-Y126 HydrophobicContact CD1-CE1 4.25Å; I83-Y126 HydrophobicContact CG1-CD1 3.87Å; I83-Y126 HydrophobicContact CG1-CE1 4.07Å; I83-Y126 HydrophobicContact CG2-CD1 4Å; I83-Y126 HydrophobicContact CG2-CE1 3.68Å; I119-Y126 PolarHBondContact N-O 2.79Å; I119-Y126 PolarHBondContact O-N 3.01Å; T121-Y126 HydrophobicContact CG2-CE2 4.17Å; T124-Y126 HydrophobicContact CG2-CD2 4.07Å; T124-Y126 HydrophobicContact CG2-CE1 4.23Å; T124-Y126 HydrophobicContact CG2-CE2 3.5Å; T124-Y126 VanDerWaalsContact CG2-CE2 3.5Å
127	L	97.1	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116	173.2	-49.4	-177	0	0	0	108.3	V81 K82 I84 V101 M104 L115 V118 L125 M129	V81-L127 CarbonylContact C-O 3.56Å; V81-L127 WeakPolarHBondContact CA-O 3.43Å; K82-L127 HydrophobicContact CB-CB 4.34Å; K82-L127 PolarHBondContact N-O 3.36Å; K82-L127 PolarHBondContact O-N 3.37Å; I84-L127 HydrophobicContact CD1-CD1 4.16Å; I84-L127 HydrophobicContact CD1-CG 4.4Å; V101-L127 HydrophobicContact CG2-CD1 4.18Å; V101-L127 HydrophobicContact CG2-CD2 3.67Å; M104-L127 HydrophobicContact SD-CD1 4.41Å; L115-L127 HydrophobicContact CD1-CB 4.15Å; V118-L127 HydrophobicContact CG1-CD2 4Å; V118-L127 HydrophobicContact CG2-CD2 4.15Å; L125-L127 HydrophobicContact CD2-CD2 3.97Å; L125-L127 HydrophobicContact CG-CD2 4.01Å; L127-M129 HydrophobicContact CB-CG 4.27Å; L127-M129 HydrophobicContact CB-SD 4.36Å
128	V	97.9	Very high	92.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.1	177.6	-174.6	0	0	0	0	108.7	Y53 V79 V81 F116 E117 I119	Y53-V128 HydrophobicContact CD1-CG1 4.24Å; Y53-V128 HydrophobicContact CD2-CG2 4.15Å; Y53-V128 HydrophobicContact CE1-CG1 3.64Å; Y53-V128 HydrophobicContact CE2-CG1 4.28Å; Y53-V128 HydrophobicContact CE2-CG2 3.84Å; V79-V128 HydrophobicContact CB-CG1 3.86Å; V79-V128 HydrophobicContact CG1-CG1 4.17Å; V79-V128 HydrophobicContact CG2-CG1 3.71Å; V81-V128 HydrophobicContact CG2-CG2 4.39Å; F116-V128 HydrophobicContact CB-CG1 4.45Å; F116-V128 PolarHBondContact N-O 3Å; E117-V128 HydrophobicContact CB-CB 3.83Å; E117-V128 HydrophobicContact CB-CG2 3.92Å; E117-V128 PolarHBondContact N-O 3.17Å; E117-V128 PolarHBondContact O-N 3.24Å; I119-V128 HydrophobicContact CD1-CG2 4.48Å
129	M	97.2	Very high	91.7	Very high	19 Å²	19	34.8 Å²	34.8	9%	0.094	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	167.2	-165.4	-49.2	178.8	-55.6	0	0	111.9	V79 A80 K82 M104 V113 K114 L115 L127	V79-M129 WeakPolarHBondContact CA-O 3.48Å; V79-M129 WeakPolarHBondContact CB-O 3.48Å; A80-M129 HydrophobicContact CB-CE 4.32Å; A80-M129 PolarHBondContact N-O 3.28Å; A80-M129 WeakPolarHBondContact O-CB 3.22Å; A80-M129 PolarHBondContact O-N 2.77Å; K82-M129 HydrophobicContact CB-CE 3.68Å; K82-M129 HydrophobicContact CB-SD 4.24Å; M104-M129 HydrophobicContact CE-CG 4.04Å; M104-M129 HydrophobicContact CE-SD 3.66Å; M104-M129 HydrophobicContact SD-SD 4.38Å; V113-M129 HydrophobicContact CG1-CB 3.79Å; V113-M129 HydrophobicContact CG1-SD 4.44Å; K114-M129 CarbonylContact O-C 3.5Å; K114-M129 VanDerWaalsContact O-CA 3.27Å; K114-M129 WeakPolarHBondContact O-CA 3.44Å; L115-M129 HydrophobicContact CD1-CG 4.3Å; L127-M129 HydrophobicContact CB-CG 4.27Å; L127-M129 HydrophobicContact CB-SD 4.36Å
130	E	96	Very high	91	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	135.5	169.8	-159	-161.9	113	0	0	112.4	V113 K114 F116 K190 Y363	V113-E130 HydrophobicContact CG1-CB 4.15Å; K114-E130 HydrophobicContact CB-CB 4.42Å; K114-E130 PolarHBondContact O-N 2.68Å; F116-E130 HydrophobicContact CE2-CB 4.32Å; E130-K190 WeakPolarHBondContact OE1-CD 3.46Å; E130-K190 WeakPolarHBondContact OE1-CE 3.21Å; E130-K190 IonicContact OE1-NZ 2.86Å; E130-K190 PolarHBondContact OE1-NZ 2.99Å; E130-K190 IonicContact OE2-NZ 3.88Å; E130-K190 PolarHBondContact OE2-NZ 3.43Å; E130-Y363 HydrophobicContact CG-CE1 4.36Å; E130-Y363 HydrophobicContact CG-CE2 4.13Å; E130-Y363 VanDerWaalsContact CG-OH 3.28Å; E130-Y363 WeakPolarHBondContact CG-OH 3.4Å; E130-Y363 PolarHBondContact OE1-OH 3.28Å; E130-Y363 PolarHBondContact OE2-OH 3.41Å
131	Y	95.1	Very high	90.4	Very high	47 Å²	47	30.3 Å²	30.3	18%	0.184	15%	0.152	C	C	.	.			trans	-95.1	108.9	175.2	175.8	-135	0	0	0	112.1	I59 L69 E78 S133	I59-Y131 HydrophobicContact CD1-CD2 3.83Å; I59-Y131 HydrophobicContact CD1-CE2 3.78Å; L69-Y131 HydrophobicContact CD1-CD1 3.42Å; L69-Y131 VanDerWaalsContact CD1-CD1 3.42Å; L69-Y131 HydrophobicContact CD1-CD2 4.08Å; L69-Y131 HydrophobicContact CD1-CE1 3.5Å; L69-Y131 HydrophobicContact CD1-CE2 4.18Å; L69-Y131 HydrophobicContact CD1-CG 3.73Å; L69-Y131 HydrophobicContact CD2-CE1 4.43Å; E78-Y131 HydrophobicContact CB-CD1 4.11Å; Y131-S133 PolarHBondContact O-N 3.28Å
132	A	93.3	Very high	89.4	Confident	13 Å²	13	28.7 Å²	28.7	11%	0.107	14%	0.143	C	C	.	.			trans	-84	103.1	170.1	0	0	0	0	0	110.4	L182 L183 K190	A132-L182 HydrophobicContact CB-CB 3.56Å; A132-L182 HydrophobicContact CB-CD1 3.97Å; A132-L182 HydrophobicContact CB-CG 4.43Å; A132-L183 CarbonylContact C-O 3.56Å; A132-L183 WeakPolarHBondContact CB-O 3.39Å; A132-K190 HydrophobicContact CB-CB 4.15Å; A132-K190 HydrophobicContact CB-CG 4.25Å
133	S	89.5	Confident	88.8	Confident	38 Å²	38	22.3 Å²	22.3	27%	0.266	12%	0.119	S	C	.	.			trans	-86.4	-15.5	-169.1	61.1	0	0	0	0	115.7	Y131 G135 L183 R764	Y131-S133 PolarHBondContact O-N 3.28Å; S133-G135 VanDerWaalsContact C-N 3.34Å; S133-G135 PolarHBondContact O-N 3.29Å; S133-L183 PolarHBondContact N-O 3.48Å; S133-R764 PolarHBondContact O-NH2 3.07Å
134	G	84.4	Confident	88.1	Confident	4 Å²	4	20 Å²	20	4%	0.041	11%	0.11	C	C	.	.	S	Bend	trans	-73.4	-19.1	-176.4	0	0	0	0	0	114.8	L183	G134-L183 VanDerWaalsContact CA-O 3.28Å; G134-L183 WeakPolarHBondContact CA-O 3.3Å; G134-L183 PolarHBondContact N-O 2.78Å
135	G	86.4	Confident	87.6	Confident	11 Å²	11	20.3 Å²	20.3	11%	0.113	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.3	-160.7	-175.5	0	0	0	0	0	112.5	S133 L182 L183	S133-G135 VanDerWaalsContact C-N 3.34Å; S133-G135 PolarHBondContact O-N 3.29Å; G135-L182 CarbonylContact O-C 3.49Å; G135-L182 WeakPolarHBondContact O-CA 3.29Å; G135-L183 PolarHBondContact O-N 3.47Å
136	E	88.1	Confident	87.4	Confident	19 Å²	19	24.7 Å²	24.7	9%	0.089	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	149.4	178.2	-70.6	165.1	-139.2	0	0	111.8	F138 D139 Y140 E179 L182 R767 S772	E136-F138 HydrophobicContact CB-CB 4.27Å; E136-F138 PolarHBondContact O-N 2.83Å; E136-D139 HydrophobicContact CB-CB 4.44Å; E136-D139 PolarHBondContact N-OD2 3.29Å; E136-D139 WeakPolarHBondContact O-CB 3.45Å; E136-D139 PolarHBondContact O-N 3.23Å; E136-Y140 PolarHBondContact O-N 2.6Å; E136-E179 WeakPolarHBondContact OE2-CA 3.31Å; E136-L182 HydrophobicContact CG-CD2 3.81Å; E136-R767 IonicContact OE1-CZ 3.63Å; E136-R767 VanDerWaalsContact OE1-CZ 3.25Å; E136-R767 IonicContact OE1-NE 2.8Å; E136-R767 PolarHBondContact OE1-NE 3Å; E136-R767 VanDerWaalsContact OE1-NE 3.1Å; E136-R767 IonicContact OE1-NH2 2.73Å; E136-R767 PolarHBondContact OE1-NH2 3.3Å; E136-R767 IonicContact OE2-CZ 2.76Å; E136-R767 IonicContact OE2-NE 3.14Å; E136-R767 PolarHBondContact OE2-NE 3.34Å; E136-R767 IonicContact OE2-NH2 3.36Å; E136-R767 PolarHBondContact OE2-NH2 3.34Å; E136-S772 PolarHBondContact OE2-OG 3.07Å
137	V	87.4	Confident	87.2	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.7	-30.8	166.1	172.8	0	0	0	0	110.8	Y140 L141 M147 L181 L183 I189 L243	V137-Y140 WeakPolarHBondContact O-CB 3.4Å; V137-Y140 PolarHBondContact O-N 2.66Å; V137-L141 PolarHBondContact O-N 2.73Å; V137-M147 HydrophobicContact CG1-CE 4.2Å; V137-L181 HydrophobicContact CB-CB 3.95Å; V137-L181 HydrophobicContact CG2-CB 3.69Å; V137-L181 WeakPolarHBondContact CG2-O 3.44Å; V137-L181 PolarHBondContact N-O 3.47Å; V137-L183 HydrophobicContact CG2-CD1 4.21Å; V137-L183 HydrophobicContact CG2-CD2 3.88Å; V137-L183 HydrophobicContact CG2-CG 3.84Å; V137-I189 HydrophobicContact CG2-CD1 3.34Å; V137-L243 HydrophobicContact CG1-CD2 3.46Å; V137-L243 VanDerWaalsContact CG1-CD2 3.46Å
138	F	79.4	Confident	87.1	Confident	9 Å²	9	30.7 Å²	30.7	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-40.6	172.3	-169.2	-82.1	0	0	0	112.7	E136 Y140 L141 V142 A178 S772 K776	E136-F138 HydrophobicContact CB-CB 4.27Å; E136-F138 PolarHBondContact O-N 2.83Å; F138-Y140 VanDerWaalsContact C-N 3.25Å; F138-Y140 PolarHBondContact O-N 3.07Å; F138-L141 WeakPolarHBondContact O-CA 3.43Å; F138-L141 WeakPolarHBondContact O-CB 3.32Å; F138-L141 PolarHBondContact O-N 2.71Å; F138-V142 HydrophobicContact CD1-CG2 3.81Å; F138-V142 HydrophobicContact CE1-CG2 3.53Å; F138-V142 PolarHBondContact O-N 2.86Å; F138-V142 VanDerWaalsContact O-N 3.1Å; F138-A178 HydrophobicContact CB-CB 3.98Å; F138-A178 HydrophobicContact CD2-CB 3.95Å; F138-A178 HydrophobicContact CG-CB 4.46Å; F138-S772 WeakPolarHBondContact CE1-O 3.29Å; F138-S772 VanDerWaalsContact CZ-O 3.25Å; F138-S772 WeakPolarHBondContact CZ-O 3.28Å; F138-K776 HydrophobicContact CE1-CB 3.79Å; F138-K776 HydrophobicContact CE1-CD 4.29Å; F138-K776 HydrophobicContact CZ-CB 3.87Å; F138-K776 HydrophobicContact CZ-CD 3.82Å; F138-K776 HydrophobicContact CZ-CG 4.45Å
139	D	78.5	Confident	87	Confident	11 Å²	11	32.3 Å²	32.3	6%	0.059	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-38.1	177.6	-61.7	-27.8	0	0	0	111.5	E136 L141 V142 A143 F775	E136-D139 HydrophobicContact CB-CB 4.44Å; E136-D139 PolarHBondContact N-OD2 3.29Å; E136-D139 WeakPolarHBondContact O-CB 3.45Å; E136-D139 PolarHBondContact O-N 3.23Å; D139-L141 VanDerWaalsContact C-N 3.31Å; D139-L141 PolarHBondContact O-N 3.01Å; D139-V142 PolarHBondContact O-N 3.44Å; D139-A143 PolarHBondContact O-N 2.81Å; D139-A143 VanDerWaalsContact O-N 3.08Å; D139-F775 WeakPolarHBondContact OD1-CE1 3.13Å
140	Y	80.6	Confident	87	Confident	26 Å²	26	39.4 Å²	39.4	10%	0.102	20%	0.2	C	C	.	.	H	α-helix	trans	-54.2	-49.2	171.4	-175.2	-66.5	0	0	0	110.7	E136 V137 F138 V142 A143 H144 M147 E151 M187 T696	E136-Y140 PolarHBondContact O-N 2.6Å; V137-Y140 WeakPolarHBondContact O-CB 3.4Å; V137-Y140 PolarHBondContact O-N 2.66Å; F138-Y140 VanDerWaalsContact C-N 3.25Å; F138-Y140 PolarHBondContact O-N 3.07Å; Y140-V142 VanDerWaalsContact C-N 3.26Å; Y140-V142 PolarHBondContact O-N 2.75Å; Y140-A143 PolarHBondContact O-N 3.17Å; Y140-H144 HydrophobicContact CD1-CB 3.94Å; Y140-H144 HydrophobicContact CE1-CB 3.49Å; Y140-H144 VanDerWaalsContact CE1-CB 3.49Å; Y140-H144 AromaticContact CE1-CG 3.7Å; Y140-H144 AromaticContact CZ-CG 3.89Å; Y140-H144 WeakPolarHBondContact O-CB 3.24Å; Y140-H144 PolarHBondContact O-N 3.45Å; Y140-H144 PolarHBondContact O-ND1 3.3Å; Y140-M147 HydrophobicContact CD1-CE 3.49Å; Y140-M147 VanDerWaalsContact CD1-CE 3.49Å; Y140-M147 HydrophobicContact CD1-CG 4.02Å; Y140-M147 HydrophobicContact CD2-CE 4.11Å; Y140-M147 HydrophobicContact CE1-CE 3.96Å; Y140-M147 HydrophobicContact CE1-CG 3.73Å; Y140-M147 HydrophobicContact CE2-CE 4.47Å; Y140-M147 HydrophobicContact CG-CE 3.65Å; Y140-E151 VanDerWaalsContact CZ-OE1 3.29Å; Y140-E151 PolarHBondContact OH-OE1 3Å; Y140-E151 PolarHBondContact OH-OE2 3.42Å; Y140-E151 VanDerWaalsContact OH-OE2 3.07Å; Y140-M187 HydrophobicContact CD2-CE 3.84Å; Y140-M187 HydrophobicContact CE2-CE 4.33Å; Y140-T696 HydrophobicContact CD2-CG2 3.45Å; Y140-T696 VanDerWaalsContact CD2-CG2 3.45Å; Y140-T696 HydrophobicContact CE2-CG2 4.18Å; Y140-T696 HydrophobicContact CG-CG2 4.09Å
141	L	82.1	Confident	86.9	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-67.5	-24.4	-177.7	-60.5	176.9	0	0	0	113.1	V137 F138 D139 G145 M147 T242 L243	V137-L141 PolarHBondContact O-N 2.73Å; F138-L141 WeakPolarHBondContact O-CA 3.43Å; F138-L141 WeakPolarHBondContact O-CB 3.32Å; F138-L141 PolarHBondContact O-N 2.71Å; D139-L141 VanDerWaalsContact C-N 3.31Å; D139-L141 PolarHBondContact O-N 3.01Å; L141-G145 WeakPolarHBondContact CA-O 3.5Å; L141-G145 WeakPolarHBondContact CD2-O 3.29Å; L141-G145 WeakPolarHBondContact O-CA 3.23Å; L141-G145 PolarHBondContact O-N 3.12Å; L141-G145 VanDerWaalsContact O-N 3.11Å; L141-M147 HydrophobicContact CD2-CE 4.38Å; L141-M147 HydrophobicContact CD2-CG 4.01Å; L141-T242 HydrophobicContact CD1-CG2 4.01Å; L141-L243 HydrophobicContact CD1-CD2 4.35Å
142	V	74.7	Confident	87	Confident	24 Å²	24	39.9 Å²	39.9	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-69.7	-50.5	169.5	-175.3	0	0	0	0	110.2	F138 D139 Y140 F775 K776 A779	F138-V142 HydrophobicContact CD1-CG2 3.81Å; F138-V142 HydrophobicContact CE1-CG2 3.53Å; F138-V142 PolarHBondContact O-N 2.86Å; F138-V142 VanDerWaalsContact O-N 3.1Å; D139-V142 PolarHBondContact O-N 3.44Å; Y140-V142 VanDerWaalsContact C-N 3.26Å; Y140-V142 PolarHBondContact O-N 2.75Å; V142-F775 HydrophobicContact CG2-CD1 4.38Å; V142-F775 HydrophobicContact CG2-CE1 4.39Å; V142-K776 HydrophobicContact CG1-CG 4.41Å; V142-K776 HydrophobicContact CG2-CB 3.88Å; V142-K776 HydrophobicContact CG2-CG 3.97Å; V142-A779 HydrophobicContact CG1-CB 4.08Å
143	A	77.6	Confident	87.2	Confident	38 Å²	38	40.2 Å²	40.2	31%	0.314	20%	0.202	S	C	.	.	H	α-helix	trans	-72.9	-32.6	-174.3	0	0	0	0	0	114.3	D139 Y140	D139-A143 PolarHBondContact O-N 2.81Å; D139-A143 VanDerWaalsContact O-N 3.08Å; Y140-A143 PolarHBondContact O-N 3.17Å
144	H	79.4	Confident	87.6	Confident	83 Å²	83	40.3 Å²	40.3	38%	0.384	21%	0.205	S	C	.	.	H	α-helix	trans	-113.9	-13.3	-172.2	-65.9	71.5	0	0	0	113.9	Y140 W697	Y140-H144 HydrophobicContact CD1-CB 3.94Å; Y140-H144 HydrophobicContact CE1-CB 3.49Å; Y140-H144 VanDerWaalsContact CE1-CB 3.49Å; Y140-H144 AromaticContact CE1-CG 3.7Å; Y140-H144 AromaticContact CZ-CG 3.89Å; Y140-H144 WeakPolarHBondContact O-CB 3.24Å; Y140-H144 PolarHBondContact O-N 3.45Å; Y140-H144 PolarHBondContact O-ND1 3.3Å; H144-W697 PolarHBondContact CE1-O 2.69Å; H144-W697 PolarHBondContact NE2-O 3.18Å
145	G	83.5	Confident	88.2	Confident	31 Å²	31	41.6 Å²	41.6	32%	0.32	21%	0.209	S	C	.	.			trans	70.9	-150.4	-163	0	0	0	0	0	111.4	L141	L141-G145 WeakPolarHBondContact CA-O 3.5Å; L141-G145 WeakPolarHBondContact CD2-O 3.29Å; L141-G145 WeakPolarHBondContact O-CA 3.23Å; L141-G145 PolarHBondContact O-N 3.12Å; L141-G145 VanDerWaalsContact O-N 3.11Å
146	R	89.4	Confident	88.7	Confident	93 Å²	93	41.1 Å²	41.1	35%	0.351	20%	0.204	S	C	.	.	S	Bend	trans	-65.1	140.7	-177.5	76.1	-168.8	-169.2	79.8	-1.3	112.6	V244 S245 Y272	R146-V244 WeakPolarHBondContact CD-O 3.38Å; R146-V244 PolarHBondContact NH1-O 3.44Å; R146-S245 VanDerWaalsContact CB-C 3.43Å; R146-Y272 WeakPolarHBondContact CD-OH 3.4Å
147	M	92.6	Very high	89.2	Confident	3 Å²	3	41 Å²	41	2%	0.015	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-69.4	153.6	170.8	-69	178.8	-178.4	0	0	111.2	V137 Y140 L141 E151 A152 L243	V137-M147 HydrophobicContact CG1-CE 4.2Å; Y140-M147 HydrophobicContact CD1-CE 3.49Å; Y140-M147 VanDerWaalsContact CD1-CE 3.49Å; Y140-M147 HydrophobicContact CD1-CG 4.02Å; Y140-M147 HydrophobicContact CD2-CE 4.11Å; Y140-M147 HydrophobicContact CE1-CE 3.96Å; Y140-M147 HydrophobicContact CE1-CG 3.73Å; Y140-M147 HydrophobicContact CE2-CE 4.47Å; Y140-M147 HydrophobicContact CG-CE 3.65Å; L141-M147 HydrophobicContact CD2-CE 4.38Å; L141-M147 HydrophobicContact CD2-CG 4.01Å; M147-E151 HydrophobicContact SD-CG 4.5Å; M147-A152 HydrophobicContact CB-CB 4.05Å; M147-L243 HydrophobicContact CE-CD2 4.12Å; M147-L243 PolarHBondContact N-O 3.25Å; M147-L243 HydrophobicContact SD-CB 4.44Å; M147-L243 HydrophobicContact SD-CD2 3.88Å
148	K	94.9	Very high	89.8	Confident	163 Å²	163	42.9 Å²	42.9	71%	0.709	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-76.1	145.5	166.2	-67.4	175.4	-177.1	171.4	0	109.1	K150 E151 A152	K148-K150 VanDerWaalsContact C-N 3.26Å; K148-K150 PolarHBondContact O-N 3.44Å; K148-K150 VanDerWaalsContact O-N 3.11Å; K148-E151 WeakPolarHBondContact O-CA 3.32Å; K148-E151 WeakPolarHBondContact O-CB 3.5Å; K148-E151 PolarHBondContact O-N 3.21Å; K148-A152 PolarHBondContact O-N 3.31Å
149	E	97.4	Very high	90.7	Very high	33 Å²	33	42.4 Å²	42.4	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-34.8	-173.6	-70.7	-174.1	-157	0	0	114.4	E151 R153 V244 S274 W303	E149-E151 VanDerWaalsContact C-N 3.31Å; E149-E151 PolarHBondContact O-N 3.38Å; E149-R153 WeakPolarHBondContact O-CB 3.49Å; E149-R153 PolarHBondContact O-N 3.08Å; E149-V244 HydrophobicContact CG-CG1 4.2Å; E149-S274 PolarHBondContact OE1-N 2.83Å; E149-S274 PolarHBondContact OE1-OG 2.81Å; E149-S274 WeakPolarHBondContact OE2-CB 3.48Å; E149-S274 PolarHBondContact OE2-OG 2.88Å; E149-W303 HydrophobicContact CB-CZ2 3.88Å; E149-W303 HydrophobicContact CG-CZ2 4.15Å; E149-W303 PolarHBondContact OE2-NE1 2.81Å
150	K	96.8	Very high	91.6	Very high	169 Å²	169	41.9 Å²	41.9	74%	0.735	21%	0.207	S	C	*	.	H	α-helix	trans	-62	-36.2	174.4	-179.2	171.5	-179.8	171	0	113.1	K148 A154	K148-K150 VanDerWaalsContact C-N 3.26Å; K148-K150 PolarHBondContact O-N 3.44Å; K148-K150 VanDerWaalsContact O-N 3.11Å; K150-A154 PolarHBondContact O-N 3.47Å
151	E	94.6	Very high	92.5	Very high	66 Å²	66	41.3 Å²	41.3	31%	0.308	21%	0.206	S	C	.	.	H	α-helix	trans	-80.6	-44.6	179.2	178.4	174.7	-151.1	0	0	111.1	Y140 M147 K148 E149 R153 A154 K155	Y140-E151 VanDerWaalsContact CZ-OE1 3.29Å; Y140-E151 PolarHBondContact OH-OE1 3Å; Y140-E151 PolarHBondContact OH-OE2 3.42Å; Y140-E151 VanDerWaalsContact OH-OE2 3.07Å; M147-E151 HydrophobicContact SD-CG 4.5Å; K148-E151 WeakPolarHBondContact O-CA 3.32Å; K148-E151 WeakPolarHBondContact O-CB 3.5Å; K148-E151 PolarHBondContact O-N 3.21Å; E149-E151 VanDerWaalsContact C-N 3.31Å; E149-E151 PolarHBondContact O-N 3.38Å; E151-R153 VanDerWaalsContact C-N 3.26Å; E151-R153 PolarHBondContact O-N 3.24Å; E151-A154 PolarHBondContact O-N 3.44Å; E151-A154 VanDerWaalsContact O-N 3.13Å; E151-K155 PolarHBondContact O-N 3.38Å
152	A	96.6	Very high	93.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.3	-43.3	172.3	0	0	0	0	0	111	M147 K148 K155 F156 L243 V244 W303	M147-A152 HydrophobicContact CB-CB 4.05Å; K148-A152 PolarHBondContact O-N 3.31Å; A152-K155 PolarHBondContact O-N 3.43Å; A152-F156 WeakPolarHBondContact O-CB 3.36Å; A152-F156 PolarHBondContact O-N 3.01Å; A152-L243 HydrophobicContact CB-CB 4.19Å; A152-V244 HydrophobicContact CB-CG1 3.69Å; A152-W303 HydrophobicContact CB-CH2 4.19Å
153	R	98.1	Very high	94.4	Very high	20 Å²	20	40.1 Å²	40.1	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-57	-48.1	174	177.7	-176.9	-57.4	130.7	15	112.6	E149 E151 K155 F156 R157 W303 V306	E149-R153 WeakPolarHBondContact O-CB 3.49Å; E149-R153 PolarHBondContact O-N 3.08Å; E151-R153 VanDerWaalsContact C-N 3.26Å; E151-R153 PolarHBondContact O-N 3.24Å; R153-K155 VanDerWaalsContact C-N 3.27Å; R153-K155 PolarHBondContact O-N 2.96Å; R153-F156 PolarHBondContact O-N 3.15Å; R153-R157 HydrophobicContact CG-CG 4.28Å; R153-R157 WeakPolarHBondContact O-CB 3.43Å; R153-R157 VanDerWaalsContact O-CG 3.29Å; R153-R157 WeakPolarHBondContact O-CG 3.5Å; R153-R157 PolarHBondContact O-N 2.98Å; R153-W303 HydrophobicContact CB-CH2 3.84Å; R153-W303 HydrophobicContact CB-CZ2 4.3Å; R153-W303 HydrophobicContact CB-CZ3 3.98Å; R153-W303 WeakPolarHBondContact CD-O 3.4Å; R153-W303 HydrophobicContact CG-CZ3 4.44Å; R153-W303 PolarHBondContact NE-O 2.88Å; R153-W303 PolarHBondContact NH2-O 2.84Å; R153-V306 VanDerWaalsContact CD-O 3.27Å; R153-V306 WeakPolarHBondContact CD-O 3.47Å; R153-V306 PolarHBondContact NE-O 3.14Å; R153-V306 PolarHBondContact NH1-O 3.1Å
154	A	96.7	Very high	95.4	Very high	40 Å²	40	38.5 Å²	38.5	33%	0.331	19%	0.185	S	C	.	.	H	α-helix	trans	-59.2	-39.1	-179.9	0	0	0	0	0	112	K150 E151	K150-A154 PolarHBondContact O-N 3.47Å; E151-A154 PolarHBondContact O-N 3.44Å; E151-A154 VanDerWaalsContact O-N 3.13Å
155	K	96.8	Very high	96.3	Very high	32 Å²	32	34.8 Å²	34.8	14%	0.139	17%	0.168	C	C	.	.	H	α-helix	trans	-74.2	-42.6	173.8	-54.2	-48.7	168.8	-164.7	0	112.1	E151 A152 R153 R157 Q158 I159 M187 I189	E151-K155 PolarHBondContact O-N 3.38Å; A152-K155 PolarHBondContact O-N 3.43Å; R153-K155 VanDerWaalsContact C-N 3.27Å; R153-K155 PolarHBondContact O-N 2.96Å; K155-R157 PolarHBondContact O-N 3.25Å; K155-Q158 WeakPolarHBondContact O-CB 3.34Å; K155-Q158 PolarHBondContact O-N 2.71Å; K155-Q158 VanDerWaalsContact O-N 3.1Å; K155-I159 WeakPolarHBondContact O-CG1 3.5Å; K155-I159 PolarHBondContact O-N 2.75Å; K155-M187 WeakPolarHBondContact CE-O 3.34Å; K155-M187 PolarHBondContact NZ-O 3.32Å; K155-I189 HydrophobicContact CB-CD1 4.06Å; K155-I189 HydrophobicContact CB-CG1 3.98Å; K155-I189 HydrophobicContact CD-CG1 4.3Å
156	F	98.3	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-72.2	-28.2	-174.7	-160.8	-109.3	0	0	0	113.1	A152 R153 I159 V160 L236 I239 L240 L243 F284 W303 M304	A152-F156 WeakPolarHBondContact O-CB 3.36Å; A152-F156 PolarHBondContact O-N 3.01Å; R153-F156 PolarHBondContact O-N 3.15Å; F156-I159 HydrophobicContact CD2-CB 4.48Å; F156-I159 HydrophobicContact CD2-CD1 4.06Å; F156-I159 PolarHBondContact O-N 2.88Å; F156-V160 HydrophobicContact CD1-CG2 3.96Å; F156-V160 HydrophobicContact CE1-CG2 3.65Å; F156-V160 HydrophobicContact CE2-CG2 4.5Å; F156-V160 HydrophobicContact CG-CG2 4.49Å; F156-V160 HydrophobicContact CZ-CG2 3.95Å; F156-V160 WeakPolarHBondContact O-CB 3.28Å; F156-V160 WeakPolarHBondContact O-CG2 3.3Å; F156-V160 PolarHBondContact O-N 2.96Å; F156-L236 HydrophobicContact CE2-CB 4.32Å; F156-L236 HydrophobicContact CE2-CD2 4.22Å; F156-L236 WeakPolarHBondContact CE2-O 3.19Å; F156-L236 HydrophobicContact CZ-CB 4.1Å; F156-L236 WeakPolarHBondContact CZ-O 3.36Å; F156-I239 HydrophobicContact CD2-CG2 4.48Å; F156-I239 HydrophobicContact CE2-CG2 4.32Å; F156-L240 HydrophobicContact CD1-CD1 4.06Å; F156-L240 HydrophobicContact CD1-CD2 4.48Å; F156-L240 HydrophobicContact CD2-CB 4.26Å; F156-L240 HydrophobicContact CD2-CD1 4.44Å; F156-L240 HydrophobicContact CE1-CB 4.16Å; F156-L240 HydrophobicContact CE1-CD1 4.3Å; F156-L240 HydrophobicContact CE1-CD2 4Å; F156-L240 HydrophobicContact CE1-CG 4.38Å; F156-L240 HydrophobicContact CE2-CB 3.76Å; F156-L240 HydrophobicContact CG-CD1 4.15Å; F156-L240 HydrophobicContact CZ-CB 3.7Å; F156-L240 HydrophobicContact CZ-CD2 4.3Å; F156-L240 HydrophobicContact CZ-CG 4.41Å; F156-L243 HydrophobicContact CD2-CD1 4.24Å; F156-F284 AromaticContact CE1-CE2 3.6Å; F156-F284 HydrophobicContact CE1-CE2 3.6Å; F156-F284 AromaticContact CE1-CZ 3.49Å; F156-F284 HydrophobicContact CE1-CZ 3.49Å; F156-F284 VanDerWaalsContact CE1-CZ 3.49Å; F156-F284 HydrophobicContact CZ-CE1 4.3Å; F156-F284 AromaticContact CZ-CE2 3.69Å; F156-F284 HydrophobicContact CZ-CE2 3.69Å; F156-F284 AromaticContact CZ-CZ 3.43Å; F156-F284 HydrophobicContact CZ-CZ 3.43Å; F156-F284 VanDerWaalsContact CZ-CZ 3.43Å; F156-W303 HydrophobicContact CB-CZ3 4.42Å; F156-W303 HydrophobicContact CD1-CZ3 4.18Å; F156-M304 HydrophobicContact CD1-CE 3.96Å; F156-M304 HydrophobicContact CD1-SD 3.6Å; F156-M304 HydrophobicContact CE1-CE 4.48Å; F156-M304 HydrophobicContact CE1-SD 4.07Å
157	R	98.5	Very high	97.3	Very high	17 Å²	17	30.2 Å²	30.2	6%	0.064	14%	0.143	C	C	.	.	H	α-helix	trans	-57.6	-47.3	164.7	-72.9	170.9	67.6	87.8	-2.5	111.5	R153 K155 S161 M304 N305 H308 D311 L313	R153-R157 HydrophobicContact CG-CG 4.28Å; R153-R157 WeakPolarHBondContact O-CB 3.43Å; R153-R157 VanDerWaalsContact O-CG 3.29Å; R153-R157 WeakPolarHBondContact O-CG 3.5Å; R153-R157 PolarHBondContact O-N 2.98Å; K155-R157 PolarHBondContact O-N 3.25Å; R157-S161 WeakPolarHBondContact O-CB 3.14Å; R157-S161 PolarHBondContact O-N 2.69Å; R157-M304 WeakPolarHBondContact CD-O 3.47Å; R157-M304 HydrophobicContact CG-CE 4.12Å; R157-M304 PolarHBondContact NH1-O 3.48Å; R157-N305 PolarHBondContact NH1-OD1 2.81Å; R157-H308 VanDerWaalsContact CZ-CG 3.49Å; R157-H308 PolarHBondContact NE-ND1 2.86Å; R157-D311 IonicContact CZ-OD2 3.03Å; R157-D311 PolarHBondContact NH2-O 2.94Å; R157-D311 IonicContact NH2-OD1 3.01Å; R157-D311 IonicContact NH2-OD2 3.9Å; R157-D311 PolarHBondContact NH2-OD2 2.9Å; R157-L313 HydrophobicContact CB-CD1 4.46Å; R157-L313 HydrophobicContact CB-CD2 4.18Å; R157-L313 HydrophobicContact CG-CD2 4.2Å
158	Q	98.5	Very high	97.5	Very high	39 Å²	39	34.8 Å²	34.8	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-42.5	177	-68.5	179.1	-24.4	0	0	112.1	N111 K155 A162 N188 I189	N111-Q158 HydrophobicContact CB-CB 4.28Å; K155-Q158 WeakPolarHBondContact O-CB 3.34Å; K155-Q158 PolarHBondContact O-N 2.71Å; K155-Q158 VanDerWaalsContact O-N 3.1Å; Q158-A162 WeakPolarHBondContact O-CB 3.33Å; Q158-A162 PolarHBondContact O-N 2.99Å; Q158-A162 VanDerWaalsContact O-N 3.1Å; Q158-N188 PolarHBondContact NE2-OD1 2.66Å; Q158-I189 HydrophobicContact CB-CB 3.94Å; Q158-I189 HydrophobicContact CB-CG1 4.1Å
159	I	98.5	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-51	176.8	-60.1	162	0	0	0	110.7	K155 F156 S161 A162 V163 L181 I189 I191 L236 I239 L243	K155-I159 WeakPolarHBondContact O-CG1 3.5Å; K155-I159 PolarHBondContact O-N 2.75Å; F156-I159 HydrophobicContact CD2-CB 4.48Å; F156-I159 HydrophobicContact CD2-CD1 4.06Å; F156-I159 PolarHBondContact O-N 2.88Å; I159-S161 VanDerWaalsContact C-N 3.34Å; I159-S161 PolarHBondContact O-N 2.9Å; I159-A162 PolarHBondContact O-N 2.87Å; I159-V163 HydrophobicContact CG2-CG2 4.42Å; I159-V163 WeakPolarHBondContact O-CG2 3.43Å; I159-V163 PolarHBondContact O-N 2.81Å; I159-L181 HydrophobicContact CD1-CD1 3.63Å; I159-L181 HydrophobicContact CD1-CD2 4.5Å; I159-L181 HydrophobicContact CG1-CD1 4.25Å; I159-L181 HydrophobicContact CG1-CD2 4.22Å; I159-L181 HydrophobicContact CG2-CD2 4.35Å; I159-I189 HydrophobicContact CD1-CD1 4.08Å; I159-I189 HydrophobicContact CD1-CG1 4.39Å; I159-I189 HydrophobicContact CG1-CB 4.38Å; I159-I189 HydrophobicContact CG1-CD1 4.03Å; I159-I189 HydrophobicContact CG1-CG1 3.91Å; I159-I189 HydrophobicContact CG1-CG2 3.76Å; I159-I191 HydrophobicContact CG2-CD1 4.27Å; I159-L236 HydrophobicContact CG2-CD2 3.3Å; I159-I239 HydrophobicContact CD1-CG2 4.24Å; I159-L243 HydrophobicContact CD1-CD1 4.46Å
160	V	98.6	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-38.8	-178.8	169.5	0	0	0	0	111.6	F156 Q164 L295 M299 M304 L313	F156-V160 HydrophobicContact CD1-CG2 3.96Å; F156-V160 HydrophobicContact CE1-CG2 3.65Å; F156-V160 HydrophobicContact CE2-CG2 4.5Å; F156-V160 HydrophobicContact CG-CG2 4.49Å; F156-V160 HydrophobicContact CZ-CG2 3.95Å; F156-V160 WeakPolarHBondContact O-CB 3.28Å; F156-V160 WeakPolarHBondContact O-CG2 3.3Å; F156-V160 PolarHBondContact O-N 2.96Å; V160-Q164 VanDerWaalsContact O-CB 3.24Å; V160-Q164 WeakPolarHBondContact O-CB 3.37Å; V160-Q164 PolarHBondContact O-N 2.96Å; V160-L295 HydrophobicContact CG1-CD2 4.46Å; V160-M299 HydrophobicContact CG1-CG 3.67Å; V160-M304 HydrophobicContact CB-CE 3.92Å; V160-M304 HydrophobicContact CG1-CE 4.25Å; V160-M304 HydrophobicContact CG2-CE 3.82Å; V160-L313 HydrophobicContact CB-CD2 4.45Å; V160-L313 HydrophobicContact CG1-CD2 4.25Å
161	S	98.7	Very high	97.5	Very high	13 Å²	13	25.7 Å²	25.7	9%	0.091	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-49	172.6	-172.1	0	0	0	0	112.1	H109 R157 I159 Y165	H109-S161 PolarHBondContact NE2-OG 3.01Å; R157-S161 WeakPolarHBondContact O-CB 3.14Å; R157-S161 PolarHBondContact O-N 2.69Å; I159-S161 VanDerWaalsContact C-N 3.34Å; I159-S161 PolarHBondContact O-N 2.9Å; S161-Y165 WeakPolarHBondContact O-CB 3.48Å; S161-Y165 PolarHBondContact O-N 3.21Å
162	A	98.4	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.8	-43.2	-179.1	0	0	0	0	0	112.8	H109 N111 I112 Q158 I159 Y165 C166 I191	H109-A162 VanDerWaalsContact CE1-CA 3.48Å; H109-A162 WeakPolarHBondContact CE1-CA 3.34Å; H109-A162 PolarHBondContact CE1-N 3.45Å; H109-A162 PolarHBondContact NE2-N 3.41Å; N111-A162 HydrophobicContact CB-CB 4.27Å; I112-A162 HydrophobicContact CD1-CB 4.3Å; I112-A162 HydrophobicContact CG1-CB 3.85Å; Q158-A162 WeakPolarHBondContact O-CB 3.33Å; Q158-A162 PolarHBondContact O-N 2.99Å; Q158-A162 VanDerWaalsContact O-N 3.1Å; I159-A162 PolarHBondContact O-N 2.87Å; A162-Y165 PolarHBondContact O-N 2.93Å; A162-C166 PolarHBondContact O-N 2.87Å; A162-C166 VanDerWaalsContact O-N 3.13Å; A162-C166 PolarHBondContact O-SG 2.93Å; A162-C166 VanDerWaalsContact O-SG 3.36Å; A162-I191 HydrophobicContact CB-CD1 3.59Å; A162-I191 HydrophobicContact CB-CG1 4.2Å
163	V	98.4	Very high	97.4	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-74.3	-36.4	-179.5	-176.6	0	0	0	0	111.7	I159 Y165 C166 H167 L176 I191 D232 L236 L295	I159-V163 HydrophobicContact CG2-CG2 4.42Å; I159-V163 WeakPolarHBondContact O-CG2 3.43Å; I159-V163 PolarHBondContact O-N 2.81Å; V163-Y165 VanDerWaalsContact C-N 3.33Å; V163-Y165 PolarHBondContact O-N 2.98Å; V163-C166 WeakPolarHBondContact O-CB 3.48Å; V163-C166 PolarHBondContact O-N 3.13Å; V163-H167 PolarHBondContact O-CD2 3.19Å; V163-H167 PolarHBondContact O-N 3.16Å; V163-L176 HydrophobicContact CG1-CD1 3.96Å; V163-L176 HydrophobicContact CG2-CD1 3.81Å; V163-L176 HydrophobicContact CG2-CD2 4.09Å; V163-I191 HydrophobicContact CG2-CD1 3.69Å; V163-D232 HydrophobicContact CG1-CB 4.1Å; V163-L236 HydrophobicContact CB-CD1 4.13Å; V163-L236 HydrophobicContact CG1-CD1 4.04Å; V163-L236 HydrophobicContact CG2-CD1 4.34Å; V163-L236 HydrophobicContact CG2-CD2 4.32Å; V163-L295 HydrophobicContact CB-CD1 3.95Å; V163-L295 HydrophobicContact CG1-CD1 3.72Å
164	Q	98.3	Very high	97.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-39.6	173.1	-176.2	-81.6	-26.3	0	0	111.3	V160 C166 H167 Q168 L295 E296 M299	V160-Q164 VanDerWaalsContact O-CB 3.24Å; V160-Q164 WeakPolarHBondContact O-CB 3.37Å; V160-Q164 PolarHBondContact O-N 2.96Å; Q164-C166 PolarHBondContact O-N 2.79Å; Q164-H167 PolarHBondContact O-N 3.47Å; Q164-Q168 WeakPolarHBondContact O-CB 3.24Å; Q164-Q168 PolarHBondContact O-N 3.48Å; Q164-L295 HydrophobicContact CB-CB 3.83Å; Q164-L295 HydrophobicContact CB-CD1 4.04Å; Q164-L295 HydrophobicContact CG-CB 4.03Å; Q164-E296 HydrophobicContact CG-CG 4.17Å; Q164-M299 HydrophobicContact CB-CE 3.91Å; Q164-M299 HydrophobicContact CB-SD 4.19Å; Q164-M299 HydrophobicContact CG-CE 4.06Å; Q164-M299 HydrophobicContact CG-SD 3.85Å
165	Y	98.4	Very high	96.9	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-41.8	172.9	166.9	-97.9	0	0	0	112.5	L107 N108 H109 I112 S161 A162 V163 Q168 K169 Y316 E318	L107-Y165 HydrophobicContact CB-CE1 4.36Å; L107-Y165 HydrophobicContact CD2-CD1 4.04Å; L107-Y165 HydrophobicContact CD2-CE1 3.54Å; N108-Y165 PolarHBondContact N-OH 3.02Å; H109-Y165 HydrophobicContact CB-CD1 3.64Å; H109-Y165 HydrophobicContact CB-CE1 3.74Å; H109-Y165 HydrophobicContact CB-CG 4.17Å; H109-Y165 AromaticContact CD2-CG 3.95Å; I112-Y165 HydrophobicContact CD1-CD1 3.91Å; I112-Y165 HydrophobicContact CD1-CE1 4.22Å; S161-Y165 WeakPolarHBondContact O-CB 3.48Å; S161-Y165 PolarHBondContact O-N 3.21Å; A162-Y165 PolarHBondContact O-N 2.93Å; V163-Y165 VanDerWaalsContact C-N 3.33Å; V163-Y165 PolarHBondContact O-N 2.98Å; Y165-Q168 PolarHBondContact O-N 2.84Å; Y165-K169 HydrophobicContact CE2-CD 4.29Å; Y165-K169 PolarHBondContact O-N 2.82Å; Y165-K169 VanDerWaalsContact O-N 3.14Å; Y165-K169 VanDerWaalsContact OH-CE 3.29Å; Y165-K169 WeakPolarHBondContact OH-CE 3.38Å; Y165-K169 PolarHBondContact OH-NZ 2.8Å; Y165-K169 VanDerWaalsContact OH-NZ 3.07Å; Y165-Y316 AromaticContact CD2-CD1 3.68Å; Y165-Y316 HydrophobicContact CD2-CD1 3.68Å; Y165-Y316 HydrophobicContact CD2-CE1 4.44Å; Y165-Y316 HydrophobicContact CE2-CD1 4.01Å; Y165-Y316 HydrophobicContact CE2-CE1 4.35Å; Y165-Y316 HydrophobicContact CG-CD1 4.28Å; Y165-E318 HydrophobicContact CE2-CB 4.21Å; Y165-E318 WeakPolarHBondContact CE2-OE2 3.4Å; Y165-E318 PolarHBondContact OH-OE2 3.06Å
166	C	97.9	Very high	96.8	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.034	9%	0.089	C	C	.	.	H	α-helix	trans	-59.7	-47.7	171.4	-67.5	0	0	0	0	111.5	A162 V163 Q164 Q168 K169 F170 I171	A162-C166 PolarHBondContact O-N 2.87Å; A162-C166 VanDerWaalsContact O-N 3.13Å; A162-C166 PolarHBondContact O-SG 2.93Å; A162-C166 VanDerWaalsContact O-SG 3.36Å; V163-C166 WeakPolarHBondContact O-CB 3.48Å; V163-C166 PolarHBondContact O-N 3.13Å; Q164-C166 PolarHBondContact O-N 2.79Å; C166-Q168 VanDerWaalsContact C-N 3.31Å; C166-Q168 PolarHBondContact O-N 2.82Å; C166-K169 CarbonylContact O-C 3.34Å; C166-K169 WeakPolarHBondContact O-CA 3.12Å; C166-K169 PolarHBondContact O-N 2.84Å; C166-F170 PolarHBondContact O-N 2.81Å; C166-I171 CarbonylContact C-O 3.52Å; C166-I171 HydrophobicContact CB-CB 4.35Å; C166-I171 HydrophobicContact CB-CG2 4.33Å; C166-I171 WeakPolarHBondContact CB-O 3.17Å; C166-I171 PolarHBondContact O-N 2.87Å; C166-I171 VanDerWaalsContact O-O 3.12Å
167	H	97	Very high	96.3	Very high	23 Å²	23	20.9 Å²	20.9	11%	0.106	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-37.4	179.7	-66.9	-179.8	0	0	0	112.2	V163 Q164 K169 F170 I171 P229 D232	V163-H167 PolarHBondContact O-CD2 3.19Å; V163-H167 PolarHBondContact O-N 3.16Å; Q164-H167 PolarHBondContact O-N 3.47Å; H167-K169 VanDerWaalsContact C-N 3.27Å; H167-K169 PolarHBondContact O-N 2.85Å; H167-F170 PolarHBondContact O-N 3.43Å; H167-I171 PolarHBondContact CD2-O 2.87Å; H167-I171 PolarHBondContact N-O 3.21Å; H167-P229 PolarHBondContact CE1-O 2.89Å; H167-D232 IonicContact CD2-OD2 3.56Å; H167-D232 IonicContact CE1-OD2 3.45Å; H167-D232 WeakPolarHBondContact NE2-CB 3.45Å; H167-D232 IonicContact NE2-OD2 2.66Å; H167-D232 PolarHBondContact NE2-OD2 2.92Å
168	Q	96.3	Very high	95.5	Very high	100 Å²	100	20.2 Å²	20.2	47%	0.467	9%	0.093	S	C	.	.	H	α-helix	trans	-65.9	-26.4	174	-176.4	174.9	-17.6	0	0	113	Q164 Y165 C166 F170	Q164-Q168 WeakPolarHBondContact O-CB 3.24Å; Q164-Q168 PolarHBondContact O-N 3.48Å; Y165-Q168 PolarHBondContact O-N 2.84Å; C166-Q168 VanDerWaalsContact C-N 3.31Å; C166-Q168 PolarHBondContact O-N 2.82Å; Q168-F170 VanDerWaalsContact C-N 3.34Å
169	K	96	Very high	94.6	Very high	71 Å²	71	20 Å²	20	31%	0.309	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	17.5	170.1	-69.8	-158.6	175.2	-170.2	0	113.8	V106 Y165 C166 H167 I171 E318	V106-K169 PolarHBondContact O-NZ 2.96Å; Y165-K169 HydrophobicContact CE2-CD 4.29Å; Y165-K169 PolarHBondContact O-N 2.82Å; Y165-K169 VanDerWaalsContact O-N 3.14Å; Y165-K169 VanDerWaalsContact OH-CE 3.29Å; Y165-K169 WeakPolarHBondContact OH-CE 3.38Å; Y165-K169 PolarHBondContact OH-NZ 2.8Å; Y165-K169 VanDerWaalsContact OH-NZ 3.07Å; C166-K169 CarbonylContact O-C 3.34Å; C166-K169 WeakPolarHBondContact O-CA 3.12Å; C166-K169 PolarHBondContact O-N 2.84Å; H167-K169 VanDerWaalsContact C-N 3.27Å; H167-K169 PolarHBondContact O-N 2.85Å; K169-I171 HydrophobicContact CB-CD1 4.07Å; K169-I171 PolarHBondContact O-N 3Å; K169-E318 VanDerWaalsContact CE-OE2 3.23Å; K169-E318 WeakPolarHBondContact CE-OE2 3.33Å; K169-E318 IonicContact NZ-OE2 2.72Å; K169-E318 PolarHBondContact NZ-OE2 3.47Å
170	F	95.9	Very high	94.1	Very high	99 Å²	99	20.7 Å²	20.7	43%	0.434	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	27.9	-179.3	-57.6	-73.7	0	0	0	114.8	C166 H167 Q168 E199 F200 F202	C166-F170 PolarHBondContact O-N 2.81Å; H167-F170 PolarHBondContact O-N 3.43Å; Q168-F170 VanDerWaalsContact C-N 3.34Å; F170-E199 CarbonylContact O-C 3.55Å; F170-E199 WeakPolarHBondContact O-CA 3.27Å; F170-F200 VanDerWaalsContact CA-CE1 3.41Å; F170-F200 HydrophobicContact CB-CD1 4.49Å; F170-F200 HydrophobicContact CB-CE1 4.34Å; F170-F200 AromaticContact CD1-CE2 3.91Å; F170-F200 HydrophobicContact CD1-CE2 3.91Å; F170-F200 AromaticContact CD1-CZ 3.96Å; F170-F200 HydrophobicContact CD1-CZ 3.96Å; F170-F200 WeakPolarHBondContact O-CD1 3.36Å; F170-F200 PolarHBondContact O-N 3.1Å; F170-F202 HydrophobicContact CE1-CD2 4.5Å; F170-F202 AromaticContact CE1-CE2 3.67Å; F170-F202 HydrophobicContact CE1-CE2 3.67Å; F170-F202 HydrophobicContact CE1-CZ 4.07Å; F170-F202 HydrophobicContact CZ-CE2 4.35Å
171	I	96.3	Very high	93.9	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.3	-179.5	-68.6	156.6	0	0	0	109.8	I103 V106 L107 C166 H167 K169 N198	I103-I171 HydrophobicContact CD1-CG1 4.46Å; I103-I171 HydrophobicContact CD1-CG2 4.22Å; I103-I171 HydrophobicContact CG1-CD1 4.31Å; I103-I171 HydrophobicContact CG1-CG1 4.22Å; I103-I171 HydrophobicContact CG2-CD1 4.21Å; I103-I171 HydrophobicContact CG2-CG2 3.83Å; V106-I171 HydrophobicContact CG2-CD1 3.81Å; L107-I171 HydrophobicContact CD2-CD1 3.97Å; L107-I171 HydrophobicContact CG-CD1 4.26Å; C166-I171 CarbonylContact C-O 3.52Å; C166-I171 HydrophobicContact CB-CB 4.35Å; C166-I171 HydrophobicContact CB-CG2 4.33Å; C166-I171 WeakPolarHBondContact CB-O 3.17Å; C166-I171 PolarHBondContact O-N 2.87Å; C166-I171 VanDerWaalsContact O-O 3.12Å; H167-I171 PolarHBondContact CD2-O 2.87Å; H167-I171 PolarHBondContact N-O 3.21Å; K169-I171 HydrophobicContact CB-CD1 4.07Å; K169-I171 PolarHBondContact O-N 3Å; I171-N198 WeakPolarHBondContact CA-O 2.87Å
172	V	95.1	Very high	93.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.6	173.5	-74	0	0	0	0	111.1	R174 S197 N198 F200 L206 G228 P229 D232	V172-R174 HydrophobicContact CB-CG 4.21Å; V172-R174 HydrophobicContact CG2-CG 4.04Å; V172-S197 CarbonylContact O-C 3.57Å; V172-S197 WeakPolarHBondContact O-CA 3.32Å; V172-S197 VanDerWaalsContact O-CB 3.22Å; V172-S197 WeakPolarHBondContact O-CB 3.48Å; V172-N198 HydrophobicContact CG2-CB 4.42Å; V172-N198 WeakPolarHBondContact CG2-O 3.18Å; V172-N198 PolarHBondContact N-O 3.04Å; V172-N198 PolarHBondContact O-N 3.16Å; V172-F200 HydrophobicContact CB-CD1 4.4Å; V172-F200 HydrophobicContact CG1-CD1 3.51Å; V172-F200 HydrophobicContact CG1-CE1 3.75Å; V172-F200 HydrophobicContact CG1-CG 4.4Å; V172-F200 HydrophobicContact CG2-CD1 4.27Å; V172-L206 HydrophobicContact CG2-CD1 4Å; V172-G228 VanDerWaalsContact CG1-C 3.48Å; V172-P229 HydrophobicContact CG1-CG 4Å; V172-D232 WeakPolarHBondContact CA-OD2 3.47Å
173	H	95.2	Very high	93.4	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.019	10%	0.104	C	C	.	.			trans	-88.2	-44.5	-169.6	-169.4	-79.5	0	0	0	112.7	D175 L176 A192 F194 F196 S197 D232	H173-D175 PolarHBondContact CE1-O 2.96Å; H173-D175 VanDerWaalsContact ND1-C 3.32Å; H173-D175 PolarHBondContact ND1-O 2.95Å; H173-D175 PolarHBondContact O-N 2.97Å; H173-L176 HydrophobicContact CB-CD1 4.35Å; H173-L176 HydrophobicContact CB-CD2 4.05Å; H173-L176 HydrophobicContact CB-CG 3.85Å; H173-L176 PolarHBondContact ND1-N 2.93Å; H173-A192 PolarHBondContact NE2-O 2.81Å; H173-F194 AromaticContact CD2-CD1 3.83Å; H173-F194 AromaticContact CD2-CE1 3.61Å; H173-F194 AromaticContact CD2-CZ 3.87Å; H173-F196 CarbonylContact O-C 3.38Å; H173-S197 PolarHBondContact O-N 3.13Å; H173-D232 PolarHBondContact N-OD1 3.08Å; H173-D232 PolarHBondContact N-OD2 2.97Å
174	R	93.1	Very high	93	Very high	18 Å²	18	23.5 Å²	23.5	7%	0.068	11%	0.11	C	C	.	.	S	Bend	trans	64.1	-12.7	173.9	-49.9	-170.8	-61.4	169.3	-0.1	117.6	V172 F196 G211 Y226 V231 D232	V172-R174 HydrophobicContact CB-CG 4.21Å; V172-R174 HydrophobicContact CG2-CG 4.04Å; R174-F196 PolarHBondContact NE-O 3.01Å; R174-F196 PolarHBondContact NH2-O 2.81Å; R174-G211 WeakPolarHBondContact O-CA 3.21Å; R174-Y226 WeakPolarHBondContact CD-OH 3.48Å; R174-Y226 PolarHBondContact NH1-OH 2.9Å; R174-V231 HydrophobicContact CG-CG2 4.17Å; R174-D232 PolarHBondContact N-OD1 2.82Å
175	D	91.3	Very high	92.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.116	C	C	.	.			trans	-124.1	50.8	166.9	-168.1	37.7	0	0	0	111.6	H173 K177 N180 F196 G211 S212	H173-D175 PolarHBondContact CE1-O 2.96Å; H173-D175 VanDerWaalsContact ND1-C 3.32Å; H173-D175 PolarHBondContact ND1-O 2.95Å; H173-D175 PolarHBondContact O-N 2.97Å; D175-K177 PolarHBondContact O-N 3.44Å; D175-K177 IonicContact OD1-NZ 2.96Å; D175-K177 IonicContact OD2-NZ 2.82Å; D175-K177 PolarHBondContact OD2-NZ 3.23Å; D175-N180 PolarHBondContact O-ND2 2.98Å; D175-N180 PolarHBondContact OD2-ND2 2.97Å; D175-F196 HydrophobicContact CB-CB 3.96Å; D175-F196 HydrophobicContact CB-CD2 3.66Å; D175-F196 HydrophobicContact CB-CG 4.1Å; D175-G211 VanDerWaalsContact OD1-CA 3.26Å; D175-G211 WeakPolarHBondContact OD1-CA 3.27Å; D175-S212 WeakPolarHBondContact OD1-CB 3.44Å; D175-S212 PolarHBondContact OD1-N 2.79Å; D175-S212 PolarHBondContact OD1-OG 3.49Å
176	L	94.2	Very high	91.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.135	C	C	.	.			trans	-75.1	116.8	172.7	-74.7	174.4	0	0	0	110	V163 H173 I191 Y215 D232 L236 I239	V163-L176 HydrophobicContact CG1-CD1 3.96Å; V163-L176 HydrophobicContact CG2-CD1 3.81Å; V163-L176 HydrophobicContact CG2-CD2 4.09Å; H173-L176 HydrophobicContact CB-CD1 4.35Å; H173-L176 HydrophobicContact CB-CD2 4.05Å; H173-L176 HydrophobicContact CB-CG 3.85Å; H173-L176 PolarHBondContact ND1-N 2.93Å; L176-I191 HydrophobicContact CD2-CG2 4.27Å; L176-Y215 WeakPolarHBondContact O-CB 3.46Å; L176-D232 HydrophobicContact CD1-CB 3.72Å; L176-L236 HydrophobicContact CD1-CD2 4.26Å; L176-L236 HydrophobicContact CD1-CG 4.1Å; L176-I239 HydrophobicContact CB-CD1 4.05Å
177	K	87.7	Confident	91.5	Very high	30 Å²	30	29 Å²	29	13%	0.13	14%	0.141	C	C	.	.			trans	-151.8	159.8	-178.1	65.7	-169	-174.2	-147.7	0	110.8	D175 E179 N180 L181 S212 Y215	D175-K177 PolarHBondContact O-N 3.44Å; D175-K177 IonicContact OD1-NZ 2.96Å; D175-K177 IonicContact OD2-NZ 2.82Å; D175-K177 PolarHBondContact OD2-NZ 3.23Å; K177-E179 WeakPolarHBondContact CB-OE2 3.48Å; K177-E179 HydrophobicContact CD-CB 4.28Å; K177-E179 HydrophobicContact CG-CB 4.05Å; K177-E179 PolarHBondContact O-N 3.01Å; K177-E179 VanDerWaalsContact O-N 3.14Å; K177-N180 WeakPolarHBondContact CE-ND2 3.46Å; K177-N180 VanDerWaalsContact CE-OD1 3.27Å; K177-N180 WeakPolarHBondContact CE-OD1 3.48Å; K177-N180 HydrophobicContact CG-CB 3.93Å; K177-N180 PolarHBondContact O-N 2.91Å; K177-L181 PolarHBondContact O-N 3.22Å; K177-S212 WeakPolarHBondContact CD-OG 3.34Å; K177-S212 PolarHBondContact NZ-OG 2.89Å; K177-S212 VanDerWaalsContact NZ-OG 3.08Å; K177-Y215 HydrophobicContact CB-CD1 4.17Å; K177-Y215 HydrophobicContact CB-CD2 3.6Å; K177-Y215 HydrophobicContact CB-CE1 3.98Å; K177-Y215 HydrophobicContact CB-CE2 3.36Å; K177-Y215 HydrophobicContact CB-CG 3.99Å
178	A	81.6	Confident	91.3	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-61.8	-23.6	-177.3	0	0	0	0	0	113.6	F138 L181 Y215	F138-A178 HydrophobicContact CB-CB 3.98Å; F138-A178 HydrophobicContact CD2-CB 3.95Å; F138-A178 HydrophobicContact CG-CB 4.46Å; A178-L181 PolarHBondContact O-N 3.32Å; A178-Y215 WeakPolarHBondContact CB-OH 3.47Å; A178-Y215 PolarHBondContact N-OH 2.81Å
179	E	79.2	Confident	91.3	Very high	36 Å²	36	25.5 Å²	25.5	17%	0.168	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-74	-25.6	174.7	-54	96.1	122.6	0	0	113.7	E136 K177 L181 Y215 S772	E136-E179 WeakPolarHBondContact OE2-CA 3.31Å; K177-E179 WeakPolarHBondContact CB-OE2 3.48Å; K177-E179 HydrophobicContact CD-CB 4.28Å; K177-E179 HydrophobicContact CG-CB 4.05Å; K177-E179 PolarHBondContact O-N 3.01Å; K177-E179 VanDerWaalsContact O-N 3.14Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-Y215 PolarHBondContact OE2-OH 2.93Å; E179-S772 VanDerWaalsContact CG-CB 3.43Å; E179-S772 WeakPolarHBondContact CG-OG 3.48Å
180	N	89.3	Confident	91.4	Very high	14 Å²	14	22.7 Å²	22.7	8%	0.075	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-93.9	5.8	176.4	-71.9	-3.6	0	0	0	111.9	D175 K177 A192	D175-N180 PolarHBondContact O-ND2 2.98Å; D175-N180 PolarHBondContact OD2-ND2 2.97Å; K177-N180 WeakPolarHBondContact CE-ND2 3.46Å; K177-N180 VanDerWaalsContact CE-OD1 3.27Å; K177-N180 WeakPolarHBondContact CE-OD1 3.48Å; K177-N180 HydrophobicContact CG-CB 3.93Å; K177-N180 PolarHBondContact O-N 2.91Å; N180-A192 PolarHBondContact O-N 3.38Å
181	L	93.4	Very high	91.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	100.6	172.4	-60.6	179.5	0	0	0	108.8	V137 I159 K177 A178 E179 I189 I191 I239	V137-L181 HydrophobicContact CB-CB 3.95Å; V137-L181 HydrophobicContact CG2-CB 3.69Å; V137-L181 WeakPolarHBondContact CG2-O 3.44Å; V137-L181 PolarHBondContact N-O 3.47Å; I159-L181 HydrophobicContact CD1-CD1 3.63Å; I159-L181 HydrophobicContact CD1-CD2 4.5Å; I159-L181 HydrophobicContact CG1-CD1 4.25Å; I159-L181 HydrophobicContact CG1-CD2 4.22Å; I159-L181 HydrophobicContact CG2-CD2 4.35Å; K177-L181 PolarHBondContact O-N 3.22Å; A178-L181 PolarHBondContact O-N 3.32Å; E179-L181 VanDerWaalsContact C-N 3.33Å; L181-I189 HydrophobicContact CD2-CG2 4.45Å; L181-I191 HydrophobicContact CD2-CD1 4.21Å; L181-I191 HydrophobicContact CD2-CG1 3.78Å; L181-I239 HydrophobicContact CD1-CD1 4.22Å; L181-I239 HydrophobicContact CD1-CG2 3.8Å
182	L	93.9	Very high	91.3	Very high	44 Å²	44	18.7 Å²	18.7	23%	0.23	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	167.8	177	-50.7	-177.7	0	0	0	111.1	A132 G135 E136 I189 K190 A192	A132-L182 HydrophobicContact CB-CB 3.56Å; A132-L182 HydrophobicContact CB-CD1 3.97Å; A132-L182 HydrophobicContact CB-CG 4.43Å; G135-L182 CarbonylContact O-C 3.49Å; G135-L182 WeakPolarHBondContact O-CA 3.29Å; E136-L182 HydrophobicContact CG-CD2 3.81Å; L182-I189 CarbonylContact O-C 3.52Å; L182-I189 WeakPolarHBondContact O-CA 3.41Å; L182-K190 HydrophobicContact CB-CB 4.25Å; L182-K190 WeakPolarHBondContact CB-O 3.34Å; L182-K190 PolarHBondContact N-O 2.9Å; L182-K190 PolarHBondContact O-N 2.71Å; L182-A192 HydrophobicContact CD1-CB 3.8Å; L182-A192 HydrophobicContact CG-CB 4.06Å
183	L	92.3	Very high	90.9	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.4	178.3	-68.5	165.5	0	0	0	110.6	A132 S133 G134 G135 V137 M187 N188 I189	A132-L183 CarbonylContact C-O 3.56Å; A132-L183 WeakPolarHBondContact CB-O 3.39Å; S133-L183 PolarHBondContact N-O 3.48Å; G134-L183 VanDerWaalsContact CA-O 3.28Å; G134-L183 WeakPolarHBondContact CA-O 3.3Å; G134-L183 PolarHBondContact N-O 2.78Å; G135-L183 PolarHBondContact O-N 3.47Å; V137-L183 HydrophobicContact CG2-CD1 4.21Å; V137-L183 HydrophobicContact CG2-CD2 3.88Å; V137-L183 HydrophobicContact CG2-CG 3.84Å; L183-M187 HydrophobicContact CD1-CE 3.74Å; L183-M187 HydrophobicContact CD1-SD 4.48Å; L183-M187 WeakPolarHBondContact CD2-O 3.31Å; L183-N188 WeakPolarHBondContact CA-O 3.35Å; L183-I189 HydrophobicContact CD2-CD1 4.25Å
184	D	90.6	Very high	90.6	Very high	27 Å²	27	21.4 Å²	21.4	14%	0.144	11%	0.114	C	C	.	.			trans	-79.6	-179.4	170.5	72.7	16.8	0	0	0	112.5	D186 M187 N188 K190	D184-D186 PolarHBondContact O-N 3.14Å; D184-D186 VanDerWaalsContact OD1-C 3.29Å; D184-D186 WeakPolarHBondContact OD1-CA 3.21Å; D184-D186 PolarHBondContact OD1-N 3.41Å; D184-M187 WeakPolarHBondContact O-CA 3.5Å; D184-M187 PolarHBondContact O-N 3.27Å; D184-M187 PolarHBondContact OD1-N 3.09Å; D184-N188 PolarHBondContact N-O 3.49Å; D184-N188 PolarHBondContact OD1-N 3.43Å; D184-N188 PolarHBondContact OD1-ND2 3.41Å; D184-N188 WeakPolarHBondContact OD2-CB 3.46Å; D184-N188 PolarHBondContact OD2-ND2 2.8Å; D184-K190 HydrophobicContact CB-CG 4.24Å
185	A	86.6	Confident	90.1	Very high	18 Å²	18	21.3 Å²	21.3	15%	0.149	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.1	179.8	0	0	0	0	0	113.9	S366 R694	A185-S366 WeakPolarHBondContact CB-OG 3.06Å; A185-R694 WeakPolarHBondContact O-CD 3.32Å; A185-R694 PolarHBondContact O-NE 2.65Å; A185-R694 PolarHBondContact O-NH1 2.67Å
186	D	87.6	Confident	89.7	Confident	78 Å²	78	25.4 Å²	25.4	42%	0.417	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.4	174.8	-84.7	-61.2	0	0	0	113.3	D184 N188 R694	D184-D186 PolarHBondContact O-N 3.14Å; D184-D186 VanDerWaalsContact OD1-C 3.29Å; D184-D186 WeakPolarHBondContact OD1-CA 3.21Å; D184-D186 PolarHBondContact OD1-N 3.41Å; D186-N188 VanDerWaalsContact C-N 3.32Å; D186-R694 IonicContact OD1-CZ 2.76Å; D186-R694 IonicContact OD1-NH1 2.76Å; D186-R694 PolarHBondContact OD1-NH1 2.79Å; D186-R694 IonicContact OD1-NH2 3.14Å; D186-R694 PolarHBondContact OD1-NH2 3.46Å
187	M	88.3	Confident	89.3	Confident	32 Å²	32	25.4 Å²	25.4	16%	0.158	14%	0.136	C	C	.	.			trans	67.6	22.3	-177.6	-54.6	-71.3	-67.1	0	0	114	Y140 K155 L183 D184 T696	Y140-M187 HydrophobicContact CD2-CE 3.84Å; Y140-M187 HydrophobicContact CE2-CE 4.33Å; K155-M187 WeakPolarHBondContact CE-O 3.34Å; K155-M187 PolarHBondContact NZ-O 3.32Å; L183-M187 HydrophobicContact CD1-CE 3.74Å; L183-M187 HydrophobicContact CD1-SD 4.48Å; L183-M187 WeakPolarHBondContact CD2-O 3.31Å; D184-M187 WeakPolarHBondContact O-CA 3.5Å; D184-M187 PolarHBondContact O-N 3.27Å; D184-M187 PolarHBondContact OD1-N 3.09Å; M187-T696 HydrophobicContact CE-CG2 3.41Å; M187-T696 VanDerWaalsContact CE-CG2 3.41Å; M187-T696 HydrophobicContact SD-CG2 4.42Å
188	N	93.8	Very high	89.3	Confident	51 Å²	51	25.3 Å²	25.3	27%	0.273	14%	0.137	S	C	.	.			trans	-77.3	151.4	170.8	-51.1	-72.5	0	0	0	111	Q158 L183 D184 D186	Q158-N188 PolarHBondContact NE2-OD1 2.66Å; L183-N188 WeakPolarHBondContact CA-O 3.35Å; D184-N188 PolarHBondContact N-O 3.49Å; D184-N188 PolarHBondContact OD1-N 3.43Å; D184-N188 PolarHBondContact OD1-ND2 3.41Å; D184-N188 WeakPolarHBondContact OD2-CB 3.46Å; D184-N188 PolarHBondContact OD2-ND2 2.8Å; D186-N188 VanDerWaalsContact C-N 3.32Å
189	I	96.8	Very high	89.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.2	175.9	-66.3	-69.7	0	0	0	111	N111 V137 K155 Q158 I159 L181 L182 L183 I191	N111-I189 WeakPolarHBondContact CA-O 3.46Å; N111-I189 HydrophobicContact CB-CB 4.44Å; N111-I189 HydrophobicContact CB-CG2 4.38Å; N111-I189 WeakPolarHBondContact CB-O 3.16Å; N111-I189 PolarHBondContact ND2-O 2.68Å; V137-I189 HydrophobicContact CG2-CD1 3.34Å; K155-I189 HydrophobicContact CB-CD1 4.06Å; K155-I189 HydrophobicContact CB-CG1 3.98Å; K155-I189 HydrophobicContact CD-CG1 4.3Å; Q158-I189 HydrophobicContact CB-CB 3.94Å; Q158-I189 HydrophobicContact CB-CG1 4.1Å; I159-I189 HydrophobicContact CD1-CD1 4.08Å; I159-I189 HydrophobicContact CD1-CG1 4.39Å; I159-I189 HydrophobicContact CG1-CB 4.38Å; I159-I189 HydrophobicContact CG1-CD1 4.03Å; I159-I189 HydrophobicContact CG1-CG1 3.91Å; I159-I189 HydrophobicContact CG1-CG2 3.76Å; L181-I189 HydrophobicContact CD2-CG2 4.45Å; L182-I189 CarbonylContact O-C 3.52Å; L182-I189 WeakPolarHBondContact O-CA 3.41Å; L183-I189 HydrophobicContact CD2-CD1 4.25Å; I189-I191 HydrophobicContact CG2-CG1 4.05Å
190	K	96.9	Very high	90	Very high	12 Å²	12	28 Å²	28	5%	0.052	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	103.6	168.8	-63.3	-66.3	-176.5	157.5	0	108.9	P110 N111 V113 E130 A132 L182 D184	P110-K190 WeakPolarHBondContact O-CE 3.42Å; P110-K190 PolarHBondContact O-NZ 3.34Å; N111-K190 WeakPolarHBondContact O-CA 3.38Å; V113-K190 HydrophobicContact CG2-CB 3.95Å; E130-K190 WeakPolarHBondContact OE1-CD 3.46Å; E130-K190 WeakPolarHBondContact OE1-CE 3.21Å; E130-K190 IonicContact OE1-NZ 2.86Å; E130-K190 PolarHBondContact OE1-NZ 2.99Å; E130-K190 IonicContact OE2-NZ 3.88Å; E130-K190 PolarHBondContact OE2-NZ 3.43Å; A132-K190 HydrophobicContact CB-CB 4.15Å; A132-K190 HydrophobicContact CB-CG 4.25Å; L182-K190 HydrophobicContact CB-CB 4.25Å; L182-K190 WeakPolarHBondContact CB-O 3.34Å; L182-K190 PolarHBondContact N-O 2.9Å; L182-K190 PolarHBondContact O-N 2.71Å; D184-K190 HydrophobicContact CB-CG 4.24Å
191	I	97.1	Very high	89.7	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.4	176.4	-54.5	-168.6	0	0	0	109.5	N111 V113 I159 A162 V163 L176 L181 I189 F194	N111-I191 PolarHBondContact O-N 2.87Å; V113-I191 WeakPolarHBondContact CG2-O 3.49Å; V113-I191 PolarHBondContact N-O 2.68Å; I159-I191 HydrophobicContact CG2-CD1 4.27Å; A162-I191 HydrophobicContact CB-CD1 3.59Å; A162-I191 HydrophobicContact CB-CG1 4.2Å; V163-I191 HydrophobicContact CG2-CD1 3.69Å; L176-I191 HydrophobicContact CD2-CG2 4.27Å; L181-I191 HydrophobicContact CD2-CD1 4.21Å; L181-I191 HydrophobicContact CD2-CG1 3.78Å; I189-I191 HydrophobicContact CG2-CG1 4.05Å; I191-F194 HydrophobicContact CG2-CE2 4.44Å; I191-F194 HydrophobicContact CG2-CZ 4.36Å
192	A	93.3	Very high	89.1	Confident	15 Å²	15	39.6 Å²	39.6	12%	0.124	21%	0.206	C	C	.	.			trans	-132	169	-174.5	0	0	0	0	0	113	V113 H173 N180 L182	V113-A192 HydrophobicContact CG2-CB 3.86Å; H173-A192 PolarHBondContact NE2-O 2.81Å; N180-A192 PolarHBondContact O-N 3.38Å; L182-A192 HydrophobicContact CD1-CB 3.8Å; L182-A192 HydrophobicContact CG-CB 4.06Å
193	D	86.4	Confident	88.3	Confident	60 Å²	60	40.8 Å²	40.8	32%	0.321	23%	0.229	S	C	.	.			trans	62.6	72.9	174.3	-157.6	35.6	0	0	0	116.4	K82 G195	K82-D193 IonicContact NZ-OD1 2.68Å; K82-D193 PolarHBondContact NZ-OD1 2.81Å; D193-G195 PolarHBondContact O-N 2.86Å
194	F	90.5	Very high	87.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-79	12.8	178.5	-75	-100.5	0	0	0	113.5	E100 I103 M104 L107 I112 H173 I191 F196 S197	E100-F194 HydrophobicContact CG-CB 4.08Å; E100-F194 PolarHBondContact OE1-N 2.9Å; I103-F194 HydrophobicContact CG2-CB 4.39Å; I103-F194 HydrophobicContact CG2-CD1 3.76Å; I103-F194 HydrophobicContact CG2-CE1 4.48Å; I103-F194 HydrophobicContact CG2-CG 4.32Å; M104-F194 HydrophobicContact CG-CB 4.4Å; L107-F194 HydrophobicContact CD1-CD1 3.77Å; L107-F194 HydrophobicContact CD1-CE1 3.27Å; L107-F194 HydrophobicContact CD1-CE2 4.37Å; L107-F194 HydrophobicContact CD1-CG 4.49Å; L107-F194 HydrophobicContact CD1-CZ 3.64Å; I112-F194 HydrophobicContact CD1-CZ 4.37Å; I112-F194 HydrophobicContact CG2-CE2 3.74Å; I112-F194 HydrophobicContact CG2-CZ 3.8Å; H173-F194 AromaticContact CD2-CD1 3.83Å; H173-F194 AromaticContact CD2-CE1 3.61Å; H173-F194 AromaticContact CD2-CZ 3.87Å; I191-F194 HydrophobicContact CG2-CE2 4.44Å; I191-F194 HydrophobicContact CG2-CZ 4.36Å; F194-F196 PolarHBondContact O-N 2.92Å; F194-F196 VanDerWaalsContact O-N 3.13Å; F194-S197 WeakPolarHBondContact O-CB 3.28Å; F194-S197 PolarHBondContact O-N 2.75Å; F194-S197 PolarHBondContact O-OG 3Å
195	G	82.3	Confident	87.7	Confident	16 Å²	16	49.3 Å²	49.3	17%	0.165	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-60.7	-23.1	-176.4	0	0	0	0	0	115.7	E100 D193	E100-G195 PolarHBondContact OE1-N 2.84Å; E100-G195 WeakPolarHBondContact OE2-CA 3.34Å; D193-G195 PolarHBondContact O-N 2.86Å
196	F	81.4	Confident	87.7	Confident	88 Å²	88	49.5 Å²	49.5	39%	0.386	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-97.2	-6.8	173.2	-69.1	-72.4	0	0	0	114.2	H173 R174 D175 F194 C210	H173-F196 CarbonylContact O-C 3.38Å; R174-F196 PolarHBondContact NE-O 3.01Å; R174-F196 PolarHBondContact NH2-O 2.81Å; D175-F196 HydrophobicContact CB-CB 3.96Å; D175-F196 HydrophobicContact CB-CD2 3.66Å; D175-F196 HydrophobicContact CB-CG 4.1Å; F194-F196 PolarHBondContact O-N 2.92Å; F194-F196 VanDerWaalsContact O-N 3.13Å; F196-C210 HydrophobicContact CD1-CB 3.87Å; F196-C210 HydrophobicContact CE1-CB 4.45Å
197	S	87.1	Confident	87.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.007	27%	0.271	C	S	.	.			trans	-63.7	160.3	-175.9	70.5	0	0	0	0	112.9	R99 I103 V172 H173 F194	R99-S197 VanDerWaalsContact CZ-O 3.22Å; R99-S197 PolarHBondContact NE-O 3.06Å; R99-S197 PolarHBondContact NH2-O 2.67Å; I103-S197 VanDerWaalsContact CD1-OG 3.22Å; I103-S197 WeakPolarHBondContact CD1-OG 3.48Å; V172-S197 CarbonylContact O-C 3.57Å; V172-S197 WeakPolarHBondContact O-CA 3.32Å; V172-S197 VanDerWaalsContact O-CB 3.22Å; V172-S197 WeakPolarHBondContact O-CB 3.48Å; H173-S197 PolarHBondContact O-N 3.13Å; F194-S197 WeakPolarHBondContact O-CB 3.28Å; F194-S197 PolarHBondContact O-N 2.75Å; F194-S197 PolarHBondContact O-OG 3Å
198	N	87.4	Confident	87.3	Confident	28 Å²	28	51.7 Å²	51.7	15%	0.15	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.9	174.3	-158.2	31.4	0	0	0	111.9	R99 I171 V172 L206	R99-N198 WeakPolarHBondContact CD-OD1 3.05Å; R99-N198 PolarHBondContact NE-OD1 3.36Å; R99-N198 PolarHBondContact NH1-OD1 3.07Å; R99-N198 VanDerWaalsContact NH1-OD1 3.13Å; I171-N198 WeakPolarHBondContact CA-O 2.87Å; V172-N198 HydrophobicContact CG2-CB 4.42Å; V172-N198 WeakPolarHBondContact CG2-O 3.18Å; V172-N198 PolarHBondContact N-O 3.04Å; V172-N198 PolarHBondContact O-N 3.16Å; N198-L206 HydrophobicContact CB-CD1 4.49Å; N198-L206 WeakPolarHBondContact ND2-CD2 3.4Å
199	E	88.3	Confident	86.9	Confident	80 Å²	80	53.8 Å²	53.8	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	143.2	162.2	-67	154	-152.3	0	0	108.6	R102 F170	R102-E199 VanDerWaalsContact CD-OE1 3.23Å; R102-E199 WeakPolarHBondContact CD-OE1 3.33Å; R102-E199 IonicContact CZ-OE1 3.41Å; R102-E199 IonicContact NE-OE1 3.62Å; R102-E199 IonicContact NH1-OE1 2.65Å; R102-E199 PolarHBondContact NH1-OE1 2.63Å; R102-E199 IonicContact NH1-OE2 2.69Å; R102-E199 PolarHBondContact NH1-OE2 3.47Å; F170-E199 CarbonylContact O-C 3.55Å; F170-E199 WeakPolarHBondContact O-CA 3.27Å
200	F	87.5	Confident	86.1	Confident	16 Å²	16	54.3 Å²	54.3	7%	0.07	29%	0.293	C	S	.	.			trans	-123.6	151.5	172.1	73.4	-89.1	0	0	0	111.1	F170 V172 D227 P229	F170-F200 VanDerWaalsContact CA-CE1 3.41Å; F170-F200 HydrophobicContact CB-CD1 4.49Å; F170-F200 HydrophobicContact CB-CE1 4.34Å; F170-F200 AromaticContact CD1-CE2 3.91Å; F170-F200 HydrophobicContact CD1-CE2 3.91Å; F170-F200 AromaticContact CD1-CZ 3.96Å; F170-F200 HydrophobicContact CD1-CZ 3.96Å; F170-F200 WeakPolarHBondContact O-CD1 3.36Å; F170-F200 PolarHBondContact O-N 3.1Å; V172-F200 HydrophobicContact CB-CD1 4.4Å; V172-F200 HydrophobicContact CG1-CD1 3.51Å; V172-F200 HydrophobicContact CG1-CE1 3.75Å; V172-F200 HydrophobicContact CG1-CG 4.4Å; V172-F200 HydrophobicContact CG2-CD1 4.27Å; F200-D227 WeakPolarHBondContact CB-O 3.5Å; F200-P229 HydrophobicContact CD1-CG 4.31Å; F200-P229 HydrophobicContact CD2-CG 4.34Å; F200-P229 HydrophobicContact CE1-CG 3.69Å; F200-P229 HydrophobicContact CE2-CG 3.75Å; F200-P229 HydrophobicContact CZ-CG 3.39Å
201	T	82.1	Confident	85.4	Confident	79 Å²	79	54.5 Å²	54.5	49%	0.485	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-139	141	177.7	48.6	0	0	0	0	110	G203 N204	T201-G203 PolarHBondContact O-N 2.81Å; T201-N204 PolarHBondContact O-N 2.8Å; T201-N204 WeakPolarHBondContact OG1-CB 3.28Å; T201-N204 PolarHBondContact OG1-ND2 2.8Å
202	F	80.4	Confident	84.9	Confident	179 Å²	179	55.6 Å²	55.6	79%	0.785	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	128.5	-178.8	-62.3	-68.4	0	0	0	111.1	F170	F170-F202 HydrophobicContact CE1-CD2 4.5Å; F170-F202 AromaticContact CE1-CE2 3.67Å; F170-F202 HydrophobicContact CE1-CE2 3.67Å; F170-F202 HydrophobicContact CE1-CZ 4.07Å; F170-F202 HydrophobicContact CZ-CE2 4.35Å
203	G	78.1	Confident	84.7	Confident	68 Å²	68	57 Å²	57	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-27.5	-175.5	0	0	0	0	0	114.8	T201	T201-G203 PolarHBondContact O-N 2.81Å
204	N	84.3	Confident	84.8	Confident	109 Å²	109	55.8 Å²	55.8	58%	0.583	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-96.4	100.6	-179.9	-68.2	-47.7	0	0	0	111.4	T201	T201-N204 PolarHBondContact O-N 2.8Å; T201-N204 WeakPolarHBondContact OG1-CB 3.28Å; T201-N204 PolarHBondContact OG1-ND2 2.8Å
205	K	86.1	Confident	85	Confident	101 Å²	101	56.2 Å²	56.2	44%	0.439	31%	0.311	S	S	.	.			trans	-82.6	138.8	179.8	-61	-168.9	-176.5	-62.1	0	113.4	K225 Y226 D227	K205-K225 HydrophobicContact CB-CB 3.65Å; K205-K225 HydrophobicContact CB-CD 4.46Å; K205-K225 HydrophobicContact CD-CB 4.03Å; K205-Y226 CarbonylContact C-O 3.53Å; K205-Y226 WeakPolarHBondContact CA-O 3.45Å; K205-Y226 WeakPolarHBondContact CB-O 3.15Å; K205-D227 IonicContact NZ-OD1 3.5Å; K205-D227 PolarHBondContact NZ-OD1 2.88Å; K205-D227 IonicContact NZ-OD2 3.57Å; K205-D227 PolarHBondContact NZ-OD2 2.85Å
206	L	86.2	Confident	85.6	Confident	21 Å²	21	55.6 Å²	55.6	11%	0.11	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-77.6	147.2	170.7	-53.6	-178.1	0	0	0	110.4	V172 N198 K225 Y226	V172-L206 HydrophobicContact CG2-CD1 4Å; N198-L206 HydrophobicContact CB-CD1 4.49Å; N198-L206 WeakPolarHBondContact ND2-CD2 3.4Å; L206-K225 CarbonylContact O-C 3.56Å; L206-K225 WeakPolarHBondContact O-CA 3.18Å; L206-K225 WeakPolarHBondContact O-CB 3.29Å; L206-Y226 HydrophobicContact CB-CD1 4.35Å; L206-Y226 HydrophobicContact CB-CD2 4.04Å; L206-Y226 HydrophobicContact CB-CE1 3.96Å; L206-Y226 HydrophobicContact CB-CE2 3.63Å; L206-Y226 HydrophobicContact CB-CG 4.39Å; L206-Y226 HydrophobicContact CD1-CD2 4.42Å; L206-Y226 HydrophobicContact CD1-CE2 3.77Å; L206-Y226 HydrophobicContact CG-CE2 4.26Å; L206-Y226 PolarHBondContact N-O 2.98Å; L206-Y226 VanDerWaalsContact O-CD1 3.25Å; L206-Y226 WeakPolarHBondContact O-CD1 3.37Å; L206-Y226 PolarHBondContact O-N 3.1Å
207	D	85.9	Confident	86.3	Confident	91 Å²	91	51.4 Å²	51.4	49%	0.487	29%	0.286	S	S	.	.			trans	-126.4	-10	179.8	50.7	23.2	0	0	0	114.3	F209 K225	D207-F209 PolarHBondContact O-N 2.83Å; D207-K225 HydrophobicContact CB-CD 3.93Å; D207-K225 HydrophobicContact CB-CG 3.96Å; D207-K225 IonicContact OD2-NZ 3Å; D207-K225 PolarHBondContact OD2-NZ 3.45Å
208	T	82.4	Confident	86.7	Confident	66 Å²	66	51.5 Å²	51.5	41%	0.405	29%	0.287	S	S	.	.			trans	-72.4	118.7	-174.5	-40.8	0	0	0	0	111.3	C210 Y226	T208-C210 HydrophobicContact CG2-CB 4.47Å; T208-C210 PolarHBondContact O-N 3.11Å; T208-C210 PolarHBondContact O-SG 2.92Å; T208-Y226 PolarHBondContact O-OH 2.91Å
209	F	85	Confident	87.1	Confident	95 Å²	95	50.5 Å²	50.5	42%	0.417	28%	0.281	S	S	.	.			trans	-65.6	119.4	161	-168	-72.5	0	0	0	108.4	D207 A216 L220 F221	D207-F209 PolarHBondContact O-N 2.83Å; F209-A216 HydrophobicContact CZ-CB 4.25Å; F209-L220 HydrophobicContact CD2-CB 3.69Å; F209-L220 WeakPolarHBondContact CD2-O 3.49Å; F209-L220 HydrophobicContact CE2-CB 3.72Å; F209-F221 HydrophobicContact CE2-CD1 4.31Å; F209-F221 HydrophobicContact CE2-CG 4.42Å; F209-F221 HydrophobicContact CZ-CE1 4.41Å
210	C	80.6	Confident	87.3	Confident	11 Å²	11	47.3 Å²	47.3	7%	0.074	27%	0.267	C	S	.	.			trans	-154.1	168	177.7	52.7	0	0	0	0	109.6	F196 T208	F196-C210 HydrophobicContact CD1-CB 3.87Å; F196-C210 HydrophobicContact CE1-CB 4.45Å; T208-C210 HydrophobicContact CG2-CB 4.47Å; T208-C210 PolarHBondContact O-N 3.11Å; T208-C210 PolarHBondContact O-SG 2.92Å
211	G	81.4	Confident	87.5	Confident	16 Å²	16	47.1 Å²	47.1	17%	0.165	27%	0.266	C	S	.	.	S	Bend	trans	84.7	171.2	-172.4	0	0	0	0	0	114.2	R174 D175	R174-G211 WeakPolarHBondContact O-CA 3.21Å; D175-G211 VanDerWaalsContact OD1-CA 3.26Å; D175-G211 WeakPolarHBondContact OD1-CA 3.27Å
212	S	86.1	Confident	87.9	Confident	25 Å²	25	47.7 Å²	47.7	18%	0.175	26%	0.263	C	S	.	.			trans	-82.9	122.5	-169.8	-56.2	0	0	0	0	111.5	D175 K177 P214 Y215 A216	D175-S212 WeakPolarHBondContact OD1-CB 3.44Å; D175-S212 PolarHBondContact OD1-N 2.79Å; D175-S212 PolarHBondContact OD1-OG 3.49Å; K177-S212 WeakPolarHBondContact CD-OG 3.34Å; K177-S212 PolarHBondContact NZ-OG 2.89Å; K177-S212 VanDerWaalsContact NZ-OG 3.08Å; S212-P214 VanDerWaalsContact C-CD 3.44Å; S212-P214 WeakPolarHBondContact O-CD 3.39Å; S212-P214 VanDerWaalsContact O-N 3.09Å; S212-Y215 PolarHBondContact O-N 3.41Å; S212-A216 PolarHBondContact O-N 2.89Å
213	P	88.9	Confident	88.4	Confident	46 Å²	46	42.2 Å²	42.2	30%	0.299	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-35.9	-165.3	-30.6	35.1	0	0	0	118.5	Y215 A216 F221 L255 L258	P213-Y215 PolarHBondContact O-N 2.85Å; P213-A216 PolarHBondContact O-N 3.47Å; P213-F221 HydrophobicContact CB-CZ 4.22Å; P213-F221 WeakPolarHBondContact O-CZ 3.49Å; P213-L255 HydrophobicContact CB-CD1 3.8Å; P213-L255 HydrophobicContact CG-CD1 4.17Å; P213-L258 HydrophobicContact CB-CD2 3.87Å
214	P	89.1	Confident	88.9	Confident	33 Å²	33	44.5 Å²	44.5	21%	0.214	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.3	178.4	-22.9	35.1	0	0	0	114.6	S212 L248 L258	S212-P214 VanDerWaalsContact C-CD 3.44Å; S212-P214 WeakPolarHBondContact O-CD 3.39Å; S212-P214 VanDerWaalsContact O-N 3.09Å; P214-L248 HydrophobicContact CB-CD1 3.9Å; P214-L248 HydrophobicContact CB-CD2 4.22Å; P214-L248 HydrophobicContact CG-CD1 4.43Å; P214-L258 HydrophobicContact CG-CD2 4.19Å
215	Y	94.8	Very high	89.2	Confident	11 Å²	11	45.3 Å²	45.3	4%	0.043	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-13.2	178.1	-55.9	-92.7	0	0	0	112.5	L176 K177 A178 E179 S212 P213 W234 S235 V238 I239 L248	L176-Y215 WeakPolarHBondContact O-CB 3.46Å; K177-Y215 HydrophobicContact CB-CD1 4.17Å; K177-Y215 HydrophobicContact CB-CD2 3.6Å; K177-Y215 HydrophobicContact CB-CE1 3.98Å; K177-Y215 HydrophobicContact CB-CE2 3.36Å; K177-Y215 HydrophobicContact CB-CG 3.99Å; A178-Y215 WeakPolarHBondContact CB-OH 3.47Å; A178-Y215 PolarHBondContact N-OH 2.81Å; E179-Y215 PolarHBondContact OE2-OH 2.93Å; S212-Y215 PolarHBondContact O-N 3.41Å; P213-Y215 PolarHBondContact O-N 2.85Å; Y215-W234 VanDerWaalsContact O-CD1 3.28Å; Y215-S235 PolarHBondContact O-OG 3.43Å; Y215-V238 HydrophobicContact CD1-CB 3.98Å; Y215-V238 HydrophobicContact CD1-CG1 3.42Å; Y215-V238 VanDerWaalsContact CD1-CG1 3.42Å; Y215-V238 HydrophobicContact CE1-CG1 3.89Å; Y215-V238 HydrophobicContact CG-CG1 4.12Å; Y215-I239 HydrophobicContact CD1-CG1 4.18Å; Y215-I239 HydrophobicContact CE1-CG1 4.04Å; Y215-L248 HydrophobicContact CE1-CD2 4.44Å
216	A	94.4	Very high	89.4	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.033	23%	0.226	C	C	.	.			trans	-67.6	140.3	-173.6	0	0	0	0	0	113.3	F209 S212 P213 L220 F221 W234	F209-A216 HydrophobicContact CZ-CB 4.25Å; S212-A216 PolarHBondContact O-N 2.89Å; P213-A216 PolarHBondContact O-N 3.47Å; A216-L220 HydrophobicContact CB-CD1 4.06Å; A216-F221 HydrophobicContact CB-CD2 4.43Å; A216-F221 HydrophobicContact CB-CE2 3.77Å; A216-F221 HydrophobicContact CB-CZ 4.34Å; A216-W234 PolarHBondContact O-NE1 2.89Å; A216-W234 VanDerWaalsContact O-NE1 3.14Å
217	A	95.9	Very high	89.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.			trans	-72	149.6	-179.8	0	0	0	0	0	112.9	E219 L220 V231 W234	A217-E219 VanDerWaalsContact C-N 3.26Å; A217-E219 VanDerWaalsContact CB-CD 3.5Å; A217-E219 HydrophobicContact CB-CG 4.31Å; A217-E219 WeakPolarHBondContact CB-OE1 3.41Å; A217-E219 WeakPolarHBondContact CB-OE2 3.44Å; A217-E219 PolarHBondContact O-N 2.85Å; A217-L220 HydrophobicContact CB-CD1 4.43Å; A217-L220 HydrophobicContact CB-CG 4.44Å; A217-L220 WeakPolarHBondContact O-CB 3.43Å; A217-L220 PolarHBondContact O-N 2.83Å; A217-V231 HydrophobicContact CB-CB 3.96Å; A217-V231 HydrophobicContact CB-CG1 3.99Å; A217-W234 VanDerWaalsContact CA-CD1 3.48Å; A217-W234 HydrophobicContact CB-CB 3.92Å; A217-W234 HydrophobicContact CB-CG 3.86Å
218	P	96.3	Very high	89.5	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.013	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.1	-173.6	23.4	-34.4	0	0	0	114.1	L220 F221 Q222 W234 V262 L263 L287	P218-L220 VanDerWaalsContact C-N 3.32Å; P218-L220 PolarHBondContact O-N 3.19Å; P218-F221 CarbonylContact O-C 3.58Å; P218-F221 WeakPolarHBondContact O-CB 3.44Å; P218-F221 PolarHBondContact O-N 2.77Å; P218-Q222 WeakPolarHBondContact O-CG 3.43Å; P218-Q222 PolarHBondContact O-N 2.67Å; P218-W234 HydrophobicContact CG-CE3 4.28Å; P218-W234 HydrophobicContact CG-CH2 4.11Å; P218-W234 HydrophobicContact CG-CZ2 4.44Å; P218-W234 HydrophobicContact CG-CZ3 4.02Å; P218-V262 HydrophobicContact CB-CG1 4.13Å; P218-L263 HydrophobicContact CB-CD2 3.76Å; P218-L263 WeakPolarHBondContact O-CD2 3.49Å; P218-L287 HydrophobicContact CB-CD2 4.07Å; P218-L287 HydrophobicContact CG-CD2 3.94Å
219	E	94.9	Very high	90.1	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.033	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.7	174.6	57.8	-89.1	-150.1	0	0	113.1	A217 Q222 G223 K224 V231 R292	A217-E219 VanDerWaalsContact C-N 3.26Å; A217-E219 VanDerWaalsContact CB-CD 3.5Å; A217-E219 HydrophobicContact CB-CG 4.31Å; A217-E219 WeakPolarHBondContact CB-OE1 3.41Å; A217-E219 WeakPolarHBondContact CB-OE2 3.44Å; A217-E219 PolarHBondContact O-N 2.85Å; E219-Q222 CarbonylContact O-C 3.55Å; E219-Q222 WeakPolarHBondContact O-CA 3.48Å; E219-Q222 WeakPolarHBondContact O-CB 3.33Å; E219-Q222 PolarHBondContact O-N 3.3Å; E219-G223 PolarHBondContact O-N 3.13Å; E219-G223 VanDerWaalsContact O-N 3.15Å; E219-K224 HydrophobicContact CB-CB 4.2Å; E219-K224 PolarHBondContact O-N 3.36Å; E219-V231 HydrophobicContact CG-CG1 4.44Å; E219-R292 IonicContact OE1-CZ 2.66Å; E219-R292 IonicContact OE1-NH1 2.75Å; E219-R292 PolarHBondContact OE1-NH1 2.8Å; E219-R292 IonicContact OE1-NH2 2.92Å; E219-R292 PolarHBondContact OE1-NH2 3.48Å; E219-R292 IonicContact OE2-CZ 3.9Å; E219-R292 IonicContact OE2-NH1 3.57Å; E219-R292 IonicContact OE2-NH2 3.19Å; E219-R292 PolarHBondContact OE2-NH2 3.48Å
220	L	93.4	Very high	90.6	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.068	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-65.2	-46.3	174	-57.5	176.5	0	0	0	109.5	F209 A216 A217 P218 Q222 G223 Y226 V231	F209-L220 HydrophobicContact CD2-CB 3.69Å; F209-L220 WeakPolarHBondContact CD2-O 3.49Å; F209-L220 HydrophobicContact CE2-CB 3.72Å; A216-L220 HydrophobicContact CB-CD1 4.06Å; A217-L220 HydrophobicContact CB-CD1 4.43Å; A217-L220 HydrophobicContact CB-CG 4.44Å; A217-L220 WeakPolarHBondContact O-CB 3.43Å; A217-L220 PolarHBondContact O-N 2.83Å; P218-L220 VanDerWaalsContact C-N 3.32Å; P218-L220 PolarHBondContact O-N 3.19Å; L220-Q222 PolarHBondContact O-N 3.32Å; L220-Q222 VanDerWaalsContact O-N 3.07Å; L220-G223 PolarHBondContact O-N 3.34Å; L220-Y226 HydrophobicContact CD2-CD1 3.61Å; L220-Y226 HydrophobicContact CD2-CE1 3.3Å; L220-Y226 HydrophobicContact CD2-CE2 4.47Å; L220-Y226 HydrophobicContact CD2-CG 4.34Å; L220-V231 HydrophobicContact CD2-CG1 4.47Å; L220-V231 HydrophobicContact CG-CG1 4.5Å
221	F	91.1	Very high	91.4	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.053	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-64.5	-6.9	171.9	-73.4	-76.1	0	0	0	114.6	F209 P213 A216 P218 L255 R259 V262 L263	F209-F221 HydrophobicContact CE2-CD1 4.31Å; F209-F221 HydrophobicContact CE2-CG 4.42Å; F209-F221 HydrophobicContact CZ-CE1 4.41Å; P213-F221 HydrophobicContact CB-CZ 4.22Å; P213-F221 WeakPolarHBondContact O-CZ 3.49Å; A216-F221 HydrophobicContact CB-CD2 4.43Å; A216-F221 HydrophobicContact CB-CE2 3.77Å; A216-F221 HydrophobicContact CB-CZ 4.34Å; P218-F221 CarbonylContact O-C 3.58Å; P218-F221 WeakPolarHBondContact O-CB 3.44Å; P218-F221 PolarHBondContact O-N 2.77Å; F221-L255 HydrophobicContact CE1-CD1 3.93Å; F221-R259 HydrophobicContact CB-CG 4.1Å; F221-R259 HydrophobicContact CD1-CB 3.79Å; F221-R259 HydrophobicContact CD1-CG 3.7Å; F221-R259 HydrophobicContact CE1-CB 4.01Å; F221-R259 HydrophobicContact CE1-CG 4.43Å; F221-R259 HydrophobicContact CG-CG 4.15Å; F221-R259 VanDerWaalsContact O-CZ 3.27Å; F221-R259 PolarHBondContact O-NE 2.78Å; F221-R259 PolarHBondContact O-NH2 3.03Å; F221-V262 HydrophobicContact CD2-CB 4.32Å; F221-V262 HydrophobicContact CD2-CG1 3.72Å; F221-V262 HydrophobicContact CE2-CB 4.2Å; F221-V262 HydrophobicContact CE2-CG1 3.86Å; F221-V262 HydrophobicContact CE2-CG2 4.13Å; F221-L263 HydrophobicContact CB-CD2 3.99Å; F221-L263 HydrophobicContact CB-CG 4.4Å
222	Q	91.1	Very high	92.1	Very high	91 Å²	91	32.1 Å²	32.1	43%	0.425	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-105.5	-1.9	172.7	-68.5	173.5	2.4	0	0	112.8	P218 E219 L220 K224 L263	P218-Q222 WeakPolarHBondContact O-CG 3.43Å; P218-Q222 PolarHBondContact O-N 2.67Å; E219-Q222 CarbonylContact O-C 3.55Å; E219-Q222 WeakPolarHBondContact O-CA 3.48Å; E219-Q222 WeakPolarHBondContact O-CB 3.33Å; E219-Q222 PolarHBondContact O-N 3.3Å; L220-Q222 PolarHBondContact O-N 3.32Å; L220-Q222 VanDerWaalsContact O-N 3.07Å; Q222-K224 HydrophobicContact CB-CD 4.1Å; Q222-K224 HydrophobicContact CB-CG 4Å; Q222-K224 PolarHBondContact O-N 3.2Å; Q222-L263 HydrophobicContact CG-CD2 3.86Å
223	G	89.8	Confident	92.7	Very high	65 Å²	65	31.1 Å²	31.1	67%	0.67	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	21.5	-175.3	0	0	0	0	0	113.7	E219 L220	E219-G223 PolarHBondContact O-N 3.13Å; E219-G223 VanDerWaalsContact O-N 3.15Å; L220-G223 PolarHBondContact O-N 3.34Å
224	K	90.4	Very high	93.1	Very high	116 Å²	116	29 Å²	29	50%	0.504	16%	0.157	S	C	.	.			trans	-82.4	143.7	-178	-74.4	177.9	177.1	169.4	0	110.8	E219 Q222	E219-K224 HydrophobicContact CB-CB 4.2Å; E219-K224 PolarHBondContact O-N 3.36Å; Q222-K224 HydrophobicContact CB-CD 4.1Å; Q222-K224 HydrophobicContact CB-CG 4Å; Q222-K224 PolarHBondContact O-N 3.2Å
225	K	89.9	Confident	93.6	Very high	125 Å²	125	27.6 Å²	27.6	54%	0.543	15%	0.149	S	C	.	.			trans	-70.6	138.5	170.3	-50.9	-148.9	178.1	-148.4	0	110.5	K205 L206 D207	K205-K225 HydrophobicContact CB-CB 3.65Å; K205-K225 HydrophobicContact CB-CD 4.46Å; K205-K225 HydrophobicContact CD-CB 4.03Å; L206-K225 CarbonylContact O-C 3.56Å; L206-K225 WeakPolarHBondContact O-CA 3.18Å; L206-K225 WeakPolarHBondContact O-CB 3.29Å; D207-K225 HydrophobicContact CB-CD 3.93Å; D207-K225 HydrophobicContact CB-CG 3.96Å; D207-K225 IonicContact OD2-NZ 3Å; D207-K225 PolarHBondContact OD2-NZ 3.45Å
226	Y	89.1	Confident	93.7	Very high	4 Å²	4	27 Å²	27	2%	0.016	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-128.4	154	-172.8	58.4	-82.5	0	0	0	110.4	R174 K205 L206 T208 L220 E230 V231	R174-Y226 WeakPolarHBondContact CD-OH 3.48Å; R174-Y226 PolarHBondContact NH1-OH 2.9Å; K205-Y226 CarbonylContact C-O 3.53Å; K205-Y226 WeakPolarHBondContact CA-O 3.45Å; K205-Y226 WeakPolarHBondContact CB-O 3.15Å; L206-Y226 HydrophobicContact CB-CD1 4.35Å; L206-Y226 HydrophobicContact CB-CD2 4.04Å; L206-Y226 HydrophobicContact CB-CE1 3.96Å; L206-Y226 HydrophobicContact CB-CE2 3.63Å; L206-Y226 HydrophobicContact CB-CG 4.39Å; L206-Y226 HydrophobicContact CD1-CD2 4.42Å; L206-Y226 HydrophobicContact CD1-CE2 3.77Å; L206-Y226 HydrophobicContact CG-CE2 4.26Å; L206-Y226 PolarHBondContact N-O 2.98Å; L206-Y226 VanDerWaalsContact O-CD1 3.25Å; L206-Y226 WeakPolarHBondContact O-CD1 3.37Å; L206-Y226 PolarHBondContact O-N 3.1Å; T208-Y226 PolarHBondContact O-OH 2.91Å; L220-Y226 HydrophobicContact CD2-CD1 3.61Å; L220-Y226 HydrophobicContact CD2-CE1 3.3Å; L220-Y226 HydrophobicContact CD2-CE2 4.47Å; L220-Y226 HydrophobicContact CD2-CG 4.34Å; Y226-E230 WeakPolarHBondContact CB-OE1 3.36Å; Y226-V231 HydrophobicContact CD2-CG1 3.66Å; Y226-V231 HydrophobicContact CD2-CG2 4.41Å; Y226-V231 HydrophobicContact CE2-CG1 4.16Å; Y226-V231 HydrophobicContact CE2-CG2 4.22Å; Y226-V231 HydrophobicContact CG-CG1 4.05Å
227	D	86.7	Confident	93.9	Very high	64 Å²	64	26.9 Å²	26.9	34%	0.342	15%	0.145	S	C	.	.			trans	-78.5	-39	-178.5	-65.8	-66.1	0	0	0	111.4	F200 K205 E230	F200-D227 WeakPolarHBondContact CB-O 3.5Å; K205-D227 IonicContact NZ-OD1 3.5Å; K205-D227 PolarHBondContact NZ-OD1 2.88Å; K205-D227 IonicContact NZ-OD2 3.57Å; K205-D227 PolarHBondContact NZ-OD2 2.85Å; D227-E230 PolarHBondContact N-OE1 2.79Å
228	G	88.4	Confident	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	142.7	-70.1	171	0	0	0	0	0	113	V172 E230 V231	V172-G228 VanDerWaalsContact CG1-C 3.48Å; G228-E230 WeakPolarHBondContact CA-OE2 3.49Å; G228-E230 PolarHBondContact N-OE2 3.35Å; G228-E230 PolarHBondContact O-N 3.29Å; G228-V231 WeakPolarHBondContact O-CG2 3.45Å; G228-V231 PolarHBondContact O-N 2.88Å; G228-V231 VanDerWaalsContact O-N 3.11Å
229	P	95.3	Very high	94	Very high	30 Å²	30	26.8 Å²	26.8	20%	0.195	15%	0.145	C	C	.	.	H	α-helix	trans	-52.1	-32.7	-171.9	-32.2	39	0	0	0	115.2	H167 V172 F200 V231 D232 V233	H167-P229 PolarHBondContact CE1-O 2.89Å; V172-P229 HydrophobicContact CG1-CG 4Å; F200-P229 HydrophobicContact CD1-CG 4.31Å; F200-P229 HydrophobicContact CD2-CG 4.34Å; F200-P229 HydrophobicContact CE1-CG 3.69Å; F200-P229 HydrophobicContact CE2-CG 3.75Å; F200-P229 HydrophobicContact CZ-CG 3.39Å; P229-V231 VanDerWaalsContact C-N 3.28Å; P229-V231 PolarHBondContact O-N 3.47Å; P229-D232 PolarHBondContact O-N 2.8Å; P229-V233 WeakPolarHBondContact O-CG2 3.38Å; P229-V233 PolarHBondContact O-N 2.72Å
230	E	95.5	Very high	94.1	Very high	25 Å²	25	26.5 Å²	26.5	12%	0.117	14%	0.143	C	C	.	.	H	α-helix	trans	-62.6	-28.1	-178.6	68.6	-91.4	-144	0	0	114.3	Y226 D227 G228 W234 P289 R292	Y226-E230 WeakPolarHBondContact CB-OE1 3.36Å; D227-E230 PolarHBondContact N-OE1 2.79Å; G228-E230 WeakPolarHBondContact CA-OE2 3.49Å; G228-E230 PolarHBondContact N-OE2 3.35Å; G228-E230 PolarHBondContact O-N 3.29Å; E230-W234 PolarHBondContact O-N 2.85Å; E230-P289 HydrophobicContact CB-CB 3.98Å; E230-P289 HydrophobicContact CG-CB 3.65Å; E230-R292 PolarHBondContact O-NH1 3.06Å
231	V	96.1	Very high	94.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-80.4	-32.9	-179.1	-47	0	0	0	0	111.1	R174 A217 E219 L220 Y226 G228 P229 W234 S235	R174-V231 HydrophobicContact CG-CG2 4.17Å; A217-V231 HydrophobicContact CB-CB 3.96Å; A217-V231 HydrophobicContact CB-CG1 3.99Å; E219-V231 HydrophobicContact CG-CG1 4.44Å; L220-V231 HydrophobicContact CD2-CG1 4.47Å; L220-V231 HydrophobicContact CG-CG1 4.5Å; Y226-V231 HydrophobicContact CD2-CG1 3.66Å; Y226-V231 HydrophobicContact CD2-CG2 4.41Å; Y226-V231 HydrophobicContact CE2-CG1 4.16Å; Y226-V231 HydrophobicContact CE2-CG2 4.22Å; Y226-V231 HydrophobicContact CG-CG1 4.05Å; G228-V231 WeakPolarHBondContact O-CG2 3.45Å; G228-V231 PolarHBondContact O-N 2.88Å; G228-V231 VanDerWaalsContact O-N 3.11Å; P229-V231 VanDerWaalsContact C-N 3.28Å; P229-V231 PolarHBondContact O-N 3.47Å; V231-W234 PolarHBondContact O-N 3.28Å; V231-S235 WeakPolarHBondContact O-CB 3.4Å; V231-S235 PolarHBondContact O-N 3.09Å; V231-S235 PolarHBondContact O-OG 2.91Å
232	D	97.2	Very high	94.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.1	-41.8	170.3	-73.5	-21	0	0	0	110.1	V163 H167 V172 H173 R174 L176 P229 W234 S235 L236	V163-D232 HydrophobicContact CG1-CB 4.1Å; H167-D232 IonicContact CD2-OD2 3.56Å; H167-D232 IonicContact CE1-OD2 3.45Å; H167-D232 WeakPolarHBondContact NE2-CB 3.45Å; H167-D232 IonicContact NE2-OD2 2.66Å; H167-D232 PolarHBondContact NE2-OD2 2.92Å; V172-D232 WeakPolarHBondContact CA-OD2 3.47Å; H173-D232 PolarHBondContact N-OD1 3.08Å; H173-D232 PolarHBondContact N-OD2 2.97Å; R174-D232 PolarHBondContact N-OD1 2.82Å; L176-D232 HydrophobicContact CD1-CB 3.72Å; P229-D232 PolarHBondContact O-N 2.8Å; D232-W234 PolarHBondContact O-N 3.4Å; D232-S235 WeakPolarHBondContact O-CB 3.33Å; D232-S235 PolarHBondContact O-N 2.96Å; D232-L236 VanDerWaalsContact O-CG 3.28Å; D232-L236 WeakPolarHBondContact O-CG 3.48Å; D232-L236 PolarHBondContact O-N 3Å
233	V	98.3	Very high	94.6	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.024	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-48.8	173.5	171.6	0	0	0	0	110.9	P229 S235 L236 G237 F284 R292 L295 I298	P229-V233 WeakPolarHBondContact O-CG2 3.38Å; P229-V233 PolarHBondContact O-N 2.72Å; V233-S235 PolarHBondContact O-N 2.98Å; V233-L236 PolarHBondContact O-N 3.49Å; V233-G237 PolarHBondContact O-N 3.36Å; V233-F284 HydrophobicContact CG1-CD1 3.73Å; V233-F284 HydrophobicContact CG1-CE1 4.37Å; V233-F284 WeakPolarHBondContact O-CD1 3.36Å; V233-R292 HydrophobicContact CG1-CB 4.05Å; V233-L295 HydrophobicContact CG2-CD2 3.84Å; V233-L295 HydrophobicContact CG2-CG 3.96Å; V233-I298 HydrophobicContact CG1-CD1 4.23Å
234	W	98.3	Very high	94.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.7	-46.6	174.9	175.9	-83.2	0	0	0	112.4	Y215 A216 A217 P218 E230 V231 D232 L236 G237 V238 F250 V262 L285 L287	Y215-W234 VanDerWaalsContact O-CD1 3.28Å; A216-W234 PolarHBondContact O-NE1 2.89Å; A216-W234 VanDerWaalsContact O-NE1 3.14Å; A217-W234 VanDerWaalsContact CA-CD1 3.48Å; A217-W234 HydrophobicContact CB-CB 3.92Å; A217-W234 HydrophobicContact CB-CG 3.86Å; P218-W234 HydrophobicContact CG-CE3 4.28Å; P218-W234 HydrophobicContact CG-CH2 4.11Å; P218-W234 HydrophobicContact CG-CZ2 4.44Å; P218-W234 HydrophobicContact CG-CZ3 4.02Å; E230-W234 PolarHBondContact O-N 2.85Å; V231-W234 PolarHBondContact O-N 3.28Å; D232-W234 PolarHBondContact O-N 3.4Å; W234-L236 VanDerWaalsContact C-N 3.27Å; W234-L236 PolarHBondContact O-N 3.13Å; W234-G237 WeakPolarHBondContact O-CA 3.15Å; W234-G237 PolarHBondContact O-N 2.87Å; W234-V238 PolarHBondContact O-N 3.35Å; W234-V238 VanDerWaalsContact O-N 3.16Å; W234-F250 AromaticContact CH2-CE2 3.93Å; W234-F250 HydrophobicContact CH2-CE2 3.93Å; W234-F250 HydrophobicContact CH2-CZ 4.02Å; W234-F250 HydrophobicContact CZ2-CD2 4.09Å; W234-F250 AromaticContact CZ2-CE2 3.38Å; W234-F250 HydrophobicContact CZ2-CE2 3.38Å; W234-F250 AromaticContact CZ2-CZ 3.94Å; W234-F250 HydrophobicContact CZ2-CZ 3.94Å; W234-V262 HydrophobicContact CZ2-CG1 4.03Å; W234-L285 HydrophobicContact CD2-CD2 3.97Å; W234-L285 HydrophobicContact CE3-CD2 4.12Å; W234-L285 HydrophobicContact CG-CD2 4.45Å; W234-L285 HydrophobicContact CH2-CD2 4.49Å; W234-L285 HydrophobicContact CZ2-CD2 4.34Å; W234-L285 HydrophobicContact CZ3-CB 4.27Å; W234-L285 HydrophobicContact CZ3-CD2 4.39Å; W234-L287 HydrophobicContact CH2-CD2 4.06Å; W234-L287 HydrophobicContact CZ3-CD2 4.32Å
235	S	97.8	Very high	95	Very high	4 Å²	4	13.9 Å²	13.9	3%	0.028	7%	0.07	C	C	.	.	H	α-helix	trans	-58.4	-38	178	-54	0	0	0	0	112.3	Y215 V231 D232 V233 G237 V238 I239	Y215-S235 PolarHBondContact O-OG 3.43Å; V231-S235 WeakPolarHBondContact O-CB 3.4Å; V231-S235 PolarHBondContact O-N 3.09Å; V231-S235 PolarHBondContact O-OG 2.91Å; D232-S235 WeakPolarHBondContact O-CB 3.33Å; D232-S235 PolarHBondContact O-N 2.96Å; V233-S235 PolarHBondContact O-N 2.98Å; S235-G237 VanDerWaalsContact C-N 3.34Å; S235-G237 PolarHBondContact O-N 3.21Å; S235-V238 WeakPolarHBondContact O-CB 3.39Å; S235-V238 PolarHBondContact O-N 3.31Å; S235-I239 WeakPolarHBondContact O-CG1 3.24Å; S235-I239 PolarHBondContact O-N 3.46Å
236	L	98.4	Very high	94.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.7	-33.9	174.9	-72.2	170.7	0	0	0	112.9	F156 I159 V163 L176 D232 V233 W234 I239 L240 F284 L295	F156-L236 HydrophobicContact CE2-CB 4.32Å; F156-L236 HydrophobicContact CE2-CD2 4.22Å; F156-L236 WeakPolarHBondContact CE2-O 3.19Å; F156-L236 HydrophobicContact CZ-CB 4.1Å; F156-L236 WeakPolarHBondContact CZ-O 3.36Å; I159-L236 HydrophobicContact CG2-CD2 3.3Å; V163-L236 HydrophobicContact CB-CD1 4.13Å; V163-L236 HydrophobicContact CG1-CD1 4.04Å; V163-L236 HydrophobicContact CG2-CD1 4.34Å; V163-L236 HydrophobicContact CG2-CD2 4.32Å; L176-L236 HydrophobicContact CD1-CD2 4.26Å; L176-L236 HydrophobicContact CD1-CG 4.1Å; D232-L236 VanDerWaalsContact O-CG 3.28Å; D232-L236 WeakPolarHBondContact O-CG 3.48Å; D232-L236 PolarHBondContact O-N 3Å; V233-L236 PolarHBondContact O-N 3.49Å; W234-L236 VanDerWaalsContact C-N 3.27Å; W234-L236 PolarHBondContact O-N 3.13Å; L236-I239 HydrophobicContact CD2-CD1 4.3Å; L236-I239 PolarHBondContact O-N 2.98Å; L236-L240 WeakPolarHBondContact O-CB 3.44Å; L236-L240 PolarHBondContact O-N 2.73Å; L236-F284 HydrophobicContact CB-CD1 4.15Å; L236-F284 HydrophobicContact CB-CE1 3.69Å; L236-F284 HydrophobicContact CB-CZ 4.28Å; L236-F284 HydrophobicContact CD1-CE1 4.48Å; L236-L295 HydrophobicContact CD1-CD1 4.04Å; L236-L295 HydrophobicContact CD1-CD2 3.73Å
237	G	98.3	Very high	94.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.9	-41	169.9	0	0	0	0	0	112.8	V233 W234 S235 L240 Y241 L281 F284	V233-G237 PolarHBondContact O-N 3.36Å; W234-G237 WeakPolarHBondContact O-CA 3.15Å; W234-G237 PolarHBondContact O-N 2.87Å; S235-G237 VanDerWaalsContact C-N 3.34Å; S235-G237 PolarHBondContact O-N 3.21Å; G237-L240 PolarHBondContact O-N 2.68Å; G237-Y241 WeakPolarHBondContact O-CB 3.3Å; G237-Y241 PolarHBondContact O-N 2.99Å; G237-Y241 VanDerWaalsContact O-N 3.08Å; G237-L281 WeakPolarHBondContact O-CD2 3.35Å; G237-F284 VanDerWaalsContact CA-CB 3.49Å
238	V	97.6	Very high	95	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.1	-43.8	175	177.5	0	0	0	0	110.9	Y215 W234 S235 T242 L248 P249 L285	Y215-V238 HydrophobicContact CD1-CB 3.98Å; Y215-V238 HydrophobicContact CD1-CG1 3.42Å; Y215-V238 VanDerWaalsContact CD1-CG1 3.42Å; Y215-V238 HydrophobicContact CE1-CG1 3.89Å; Y215-V238 HydrophobicContact CG-CG1 4.12Å; W234-V238 PolarHBondContact O-N 3.35Å; W234-V238 VanDerWaalsContact O-N 3.16Å; S235-V238 WeakPolarHBondContact O-CB 3.39Å; S235-V238 PolarHBondContact O-N 3.31Å; V238-T242 WeakPolarHBondContact O-CB 3.47Å; V238-T242 PolarHBondContact O-N 3.05Å; V238-T242 PolarHBondContact O-OG1 3.24Å; V238-L248 HydrophobicContact CG1-CD2 4.04Å; V238-P249 HydrophobicContact CB-CG 4.25Å; V238-P249 HydrophobicContact CG1-CG 3.99Å; V238-P249 HydrophobicContact CG2-CG 4.05Å; V238-L285 HydrophobicContact CG2-CD2 4.06Å
239	I	96.7	Very high	95.2	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-52.4	175.2	-71	161.1	0	0	0	110.8	F156 I159 L176 L181 Y215 S235 L236 Y241 T242 L243	F156-I239 HydrophobicContact CD2-CG2 4.48Å; F156-I239 HydrophobicContact CE2-CG2 4.32Å; I159-I239 HydrophobicContact CD1-CG2 4.24Å; L176-I239 HydrophobicContact CB-CD1 4.05Å; L181-I239 HydrophobicContact CD1-CD1 4.22Å; L181-I239 HydrophobicContact CD1-CG2 3.8Å; Y215-I239 HydrophobicContact CD1-CG1 4.18Å; Y215-I239 HydrophobicContact CE1-CG1 4.04Å; S235-I239 WeakPolarHBondContact O-CG1 3.24Å; S235-I239 PolarHBondContact O-N 3.46Å; L236-I239 HydrophobicContact CD2-CD1 4.3Å; L236-I239 PolarHBondContact O-N 2.98Å; I239-Y241 PolarHBondContact O-N 3.44Å; I239-T242 WeakPolarHBondContact O-CA 3.4Å; I239-T242 WeakPolarHBondContact O-CB 3.47Å; I239-T242 PolarHBondContact O-N 3.39Å; I239-L243 HydrophobicContact CG2-CD1 4.13Å; I239-L243 HydrophobicContact CG2-CG 4.36Å; I239-L243 WeakPolarHBondContact O-CG 3.41Å; I239-L243 PolarHBondContact O-N 3.17Å
240	L	97.9	Very high	95.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-54.7	-50	-179.9	175.4	58.8	0	0	0	111.8	F156 L236 G237 T242 L243 V244 L280 L281 F284 W303	F156-L240 HydrophobicContact CD1-CD1 4.06Å; F156-L240 HydrophobicContact CD1-CD2 4.48Å; F156-L240 HydrophobicContact CD2-CB 4.26Å; F156-L240 HydrophobicContact CD2-CD1 4.44Å; F156-L240 HydrophobicContact CE1-CB 4.16Å; F156-L240 HydrophobicContact CE1-CD1 4.3Å; F156-L240 HydrophobicContact CE1-CD2 4Å; F156-L240 HydrophobicContact CE1-CG 4.38Å; F156-L240 HydrophobicContact CE2-CB 3.76Å; F156-L240 HydrophobicContact CG-CD1 4.15Å; F156-L240 HydrophobicContact CZ-CB 3.7Å; F156-L240 HydrophobicContact CZ-CD2 4.3Å; F156-L240 HydrophobicContact CZ-CG 4.41Å; L236-L240 WeakPolarHBondContact O-CB 3.44Å; L236-L240 PolarHBondContact O-N 2.73Å; G237-L240 PolarHBondContact O-N 2.68Å; L240-T242 VanDerWaalsContact C-N 3.27Å; L240-T242 PolarHBondContact O-N 2.79Å; L240-L243 PolarHBondContact O-N 3.17Å; L240-V244 HydrophobicContact CD1-CG1 4.22Å; L240-V244 WeakPolarHBondContact O-CG2 3.35Å; L240-V244 PolarHBondContact O-N 2.96Å; L240-L280 HydrophobicContact CD2-CD2 3.61Å; L240-L280 HydrophobicContact CD2-CG 3.78Å; L240-L281 HydrophobicContact CB-CD2 4.13Å; L240-L281 HydrophobicContact CD2-CD2 3.9Å; L240-L281 HydrophobicContact CD2-CG 4.11Å; L240-L281 HydrophobicContact CG-CD2 3.99Å; L240-L281 HydrophobicContact CG-CG 4.47Å; L240-F284 HydrophobicContact CD2-CD2 4.25Å; L240-F284 HydrophobicContact CD2-CE2 3.98Å; L240-W303 HydrophobicContact CD1-CH2 3.54Å; L240-W303 HydrophobicContact CD1-CZ2 4.24Å; L240-W303 HydrophobicContact CD1-CZ3 3.73Å
241	Y	97.1	Very high	94.7	Very high	12 Å²	12	11.4 Å²	11.4	5%	0.047	7%	0.069	C	C	.	.	H	α-helix	trans	-57.4	-42.9	177.1	-178.7	-83.2	0	0	0	111.4	G237 I239 V244 S245 S247 L248 P249 Y267 R268 M273 L281	G237-Y241 WeakPolarHBondContact O-CB 3.3Å; G237-Y241 PolarHBondContact O-N 2.99Å; G237-Y241 VanDerWaalsContact O-N 3.08Å; I239-Y241 PolarHBondContact O-N 3.44Å; Y241-V244 PolarHBondContact O-N 3.45Å; Y241-S245 WeakPolarHBondContact CD1-OG 3.16Å; Y241-S245 WeakPolarHBondContact CE1-OG 3.32Å; Y241-S245 VanDerWaalsContact O-CB 3.27Å; Y241-S245 WeakPolarHBondContact O-CB 3.33Å; Y241-S245 PolarHBondContact O-N 2.84Å; Y241-S245 PolarHBondContact O-OG 3.47Å; Y241-S247 WeakPolarHBondContact CD1-O 3.42Å; Y241-S247 VanDerWaalsContact CE1-O 3.24Å; Y241-S247 WeakPolarHBondContact CE1-O 3.47Å; Y241-L248 VanDerWaalsContact CE1-C 3.48Å; Y241-L248 WeakPolarHBondContact CE1-O 3.08Å; Y241-P249 HydrophobicContact CD1-CB 3.61Å; Y241-P249 HydrophobicContact CD1-CG 4.01Å; Y241-P249 VanDerWaalsContact CD1-N 3.35Å; Y241-P249 HydrophobicContact CD2-CB 4.12Å; Y241-P249 VanDerWaalsContact CE1-CA 3.46Å; Y241-P249 HydrophobicContact CE1-CB 3.9Å; Y241-P249 HydrophobicContact CE2-CB 4.37Å; Y241-P249 HydrophobicContact CG-CB 3.73Å; Y241-P249 HydrophobicContact CG-CG 4.19Å; Y241-Y267 HydrophobicContact CD2-CD2 4.02Å; Y241-Y267 AromaticContact CE2-CD2 3.89Å; Y241-Y267 HydrophobicContact CE2-CD2 3.89Å; Y241-R268 VanDerWaalsContact CE2-O 3.29Å; Y241-R268 WeakPolarHBondContact CE2-O 3.45Å; Y241-R268 PolarHBondContact OH-O 3.24Å; Y241-R268 VanDerWaalsContact OH-O 3.1Å; Y241-M273 HydrophobicContact CD2-CE 4.11Å; Y241-M273 HydrophobicContact CE2-CE 4.26Å; Y241-L281 HydrophobicContact CD2-CD1 4.04Å
242	T	93.5	Very high	93.9	Very high	6 Å²	6	12.3 Å²	12.3	4%	0.037	8%	0.079	C	C	.	.	H	α-helix	trans	-65.6	-38.7	-179.6	-54.3	0	0	0	0	112.2	L141 V238 I239 L240 G246 S247	L141-T242 HydrophobicContact CD1-CG2 4.01Å; V238-T242 WeakPolarHBondContact O-CB 3.47Å; V238-T242 PolarHBondContact O-N 3.05Å; V238-T242 PolarHBondContact O-OG1 3.24Å; I239-T242 WeakPolarHBondContact O-CA 3.4Å; I239-T242 WeakPolarHBondContact O-CB 3.47Å; I239-T242 PolarHBondContact O-N 3.39Å; L240-T242 VanDerWaalsContact C-N 3.27Å; L240-T242 PolarHBondContact O-N 2.79Å; T242-G246 VanDerWaalsContact O-CA 3.27Å; T242-G246 WeakPolarHBondContact O-CA 3.45Å; T242-G246 PolarHBondContact O-N 3.42Å; T242-S247 WeakPolarHBondContact CA-O 3.43Å
243	L	94.4	Very high	93	Very high	2 Å²	2	21 Å²	21	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-48.8	175.5	-63.9	172.4	0	0	0	112.1	V137 L141 M147 A152 F156 I159 I239 L240	V137-L243 HydrophobicContact CG1-CD2 3.46Å; V137-L243 VanDerWaalsContact CG1-CD2 3.46Å; L141-L243 HydrophobicContact CD1-CD2 4.35Å; M147-L243 HydrophobicContact CE-CD2 4.12Å; M147-L243 PolarHBondContact N-O 3.25Å; M147-L243 HydrophobicContact SD-CB 4.44Å; M147-L243 HydrophobicContact SD-CD2 3.88Å; A152-L243 HydrophobicContact CB-CB 4.19Å; F156-L243 HydrophobicContact CD2-CD1 4.24Å; I159-L243 HydrophobicContact CD1-CD1 4.46Å; I239-L243 HydrophobicContact CG2-CD1 4.13Å; I239-L243 HydrophobicContact CG2-CG 4.36Å; I239-L243 WeakPolarHBondContact O-CG 3.41Å; I239-L243 PolarHBondContact O-N 3.17Å; L240-L243 PolarHBondContact O-N 3.17Å
244	V	96	Very high	92.1	Very high	2 Å²	2	25 Å²	25	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-85.7	-21.8	-170.9	-56.6	0	0	0	0	114.5	R146 E149 A152 L240 Y241 M273 W303	R146-V244 WeakPolarHBondContact CD-O 3.38Å; R146-V244 PolarHBondContact NH1-O 3.44Å; E149-V244 HydrophobicContact CG-CG1 4.2Å; A152-V244 HydrophobicContact CB-CG1 3.69Å; L240-V244 HydrophobicContact CD1-CG1 4.22Å; L240-V244 WeakPolarHBondContact O-CG2 3.35Å; L240-V244 PolarHBondContact O-N 2.96Å; Y241-V244 PolarHBondContact O-N 3.45Å; V244-M273 HydrophobicContact CG2-CE 3.63Å; V244-W303 HydrophobicContact CG1-CZ2 4.29Å
245	S	92.1	Very high	91.3	Very high	11 Å²	11	29.9 Å²	29.9	8%	0.077	17%	0.166	C	C	.	.	H	α-helix	trans	-103.2	-27.1	177.8	73.8	0	0	0	0	114.2	R146 Y241 S247 Y272	R146-S245 VanDerWaalsContact CB-C 3.43Å; Y241-S245 WeakPolarHBondContact CD1-OG 3.16Å; Y241-S245 WeakPolarHBondContact CE1-OG 3.32Å; Y241-S245 VanDerWaalsContact O-CB 3.27Å; Y241-S245 WeakPolarHBondContact O-CB 3.33Å; Y241-S245 PolarHBondContact O-N 2.84Å; Y241-S245 PolarHBondContact O-OG 3.47Å; S245-S247 VanDerWaalsContact C-N 3.33Å; S245-S247 PolarHBondContact OG-N 3.24Å; S245-S247 VanDerWaalsContact OG-N 3.17Å; S245-S247 PolarHBondContact OG-O 3.47Å; S245-S247 PolarHBondContact OG-OG 3.39Å; S245-Y272 PolarHBondContact O-OH 3.43Å
246	G	88.1	Confident	90.8	Very high	11 Å²	11	36.6 Å²	36.6	11%	0.113	20%	0.195	C	C	.	.	S	Bend	trans	79.2	9.7	-172.5	0	0	0	0	0	114.5	T242 K776	T242-G246 VanDerWaalsContact O-CA 3.27Å; T242-G246 WeakPolarHBondContact O-CA 3.45Å; T242-G246 PolarHBondContact O-N 3.42Å; G246-K776 PolarHBondContact O-NZ 3.06Å
247	S	87.1	Confident	90.4	Very high	56 Å²	56	39 Å²	39	39%	0.392	21%	0.206	S	C	.	.	S	Bend	trans	-141.3	162.2	179.1	59.7	0	0	0	0	112	Y241 T242 S245	Y241-S247 WeakPolarHBondContact CD1-O 3.42Å; Y241-S247 VanDerWaalsContact CE1-O 3.24Å; Y241-S247 WeakPolarHBondContact CE1-O 3.47Å; T242-S247 WeakPolarHBondContact CA-O 3.43Å; S245-S247 VanDerWaalsContact C-N 3.33Å; S245-S247 PolarHBondContact OG-N 3.24Å; S245-S247 VanDerWaalsContact OG-N 3.17Å; S245-S247 PolarHBondContact OG-O 3.47Å; S245-S247 PolarHBondContact OG-OG 3.39Å
248	L	90.2	Very high	90	Very high	26 Å²	26	39.5 Å²	39.5	14%	0.136	21%	0.209	C	C	.	.			trans	-72.4	148.8	174.4	-69.3	163.8	0	0	0	111.1	P214 Y215 V238 Y241 F250 D251 M773	P214-L248 HydrophobicContact CB-CD1 3.9Å; P214-L248 HydrophobicContact CB-CD2 4.22Å; P214-L248 HydrophobicContact CG-CD1 4.43Å; Y215-L248 HydrophobicContact CE1-CD2 4.44Å; V238-L248 HydrophobicContact CG1-CD2 4.04Å; Y241-L248 VanDerWaalsContact CE1-C 3.48Å; Y241-L248 WeakPolarHBondContact CE1-O 3.08Å; L248-F250 WeakPolarHBondContact CB-O 3.23Å; L248-D251 HydrophobicContact CB-CB 4.44Å; L248-M773 HydrophobicContact CD1-CE 3.72Å; L248-M773 HydrophobicContact CG-CE 4.3Å
249	P	93.9	Very high	89.7	Confident	13 Å²	13	45.1 Å²	45.1	8%	0.084	23%	0.23	C	C	.	.	S	Bend	trans	-75.2	-29.2	174.7	28.9	-31.3	0	0	0	112.5	V238 Y241 Y267	V238-P249 HydrophobicContact CB-CG 4.25Å; V238-P249 HydrophobicContact CG1-CG 3.99Å; V238-P249 HydrophobicContact CG2-CG 4.05Å; Y241-P249 HydrophobicContact CD1-CB 3.61Å; Y241-P249 HydrophobicContact CD1-CG 4.01Å; Y241-P249 VanDerWaalsContact CD1-N 3.35Å; Y241-P249 HydrophobicContact CD2-CB 4.12Å; Y241-P249 VanDerWaalsContact CE1-CA 3.46Å; Y241-P249 HydrophobicContact CE1-CB 3.9Å; Y241-P249 HydrophobicContact CE2-CB 4.37Å; Y241-P249 HydrophobicContact CG-CB 3.73Å; Y241-P249 HydrophobicContact CG-CG 4.19Å; P249-Y267 HydrophobicContact CB-CG 4.33Å
250	F	93.9	Very high	89.6	Confident	3 Å²	3	50 Å²	50	1%	0.013	25%	0.253	C	S	.	.	S	Bend	trans	-132.1	128.9	175.9	-41.2	-68.2	0	0	0	107.7	W234 L248 L258 V262 Y267 L285	W234-F250 AromaticContact CH2-CE2 3.93Å; W234-F250 HydrophobicContact CH2-CE2 3.93Å; W234-F250 HydrophobicContact CH2-CZ 4.02Å; W234-F250 HydrophobicContact CZ2-CD2 4.09Å; W234-F250 AromaticContact CZ2-CE2 3.38Å; W234-F250 HydrophobicContact CZ2-CE2 3.38Å; W234-F250 AromaticContact CZ2-CZ 3.94Å; W234-F250 HydrophobicContact CZ2-CZ 3.94Å; L248-F250 WeakPolarHBondContact CB-O 3.23Å; F250-L258 HydrophobicContact CB-CD1 4.17Å; F250-V262 HydrophobicContact CB-CG2 3.68Å; F250-V262 HydrophobicContact CD2-CG2 4.05Å; F250-V262 HydrophobicContact CG-CG2 3.94Å; F250-Y267 HydrophobicContact CE1-CD1 4.13Å; F250-Y267 AromaticContact CZ-CD1 3.92Å; F250-Y267 HydrophobicContact CZ-CD1 3.92Å; F250-L285 HydrophobicContact CE2-CD1 4.47Å; F250-L285 HydrophobicContact CE2-CD2 4.3Å; F250-L285 HydrophobicContact CZ-CD1 4.47Å
251	D	85.9	Confident	89.4	Confident	87 Å²	87	54 Å²	54	47%	0.465	27%	0.268	S	S	.	.			trans	-149.9	162	-177	-169.4	9.2	0	0	0	107.9	L248 R261	L248-D251 HydrophobicContact CB-CB 4.44Å; D251-R261 WeakPolarHBondContact O-CD 3.29Å; D251-R261 PolarHBondContact O-NH1 2.87Å
252	G	79.6	Confident	89.4	Confident	20 Å²	20	53.4 Å²	53.4	21%	0.206	27%	0.265	C	S	.	.			trans	-170.7	149.4	179.1	0	0	0	0	0	114.3	N254 E257	G252-N254 PolarHBondContact O-N 2.91Å; G252-E257 WeakPolarHBondContact CA-OE2 3.45Å
253	Q	78	Confident	89.5	Confident	183 Å²	183	55.6 Å²	55.6	86%	0.855	28%	0.277	S	S	*	.	S	Bend	trans	-64.5	-12.3	179.6	-65.7	-174.8	-14.2	0	0	113.6	E257	Q253-E257 PolarHBondContact N-OE2 3.04Å
254	N	80	Confident	89.6	Confident	87 Å²	87	62.2 Å²	62.2	47%	0.465	30%	0.302	S	S	.	.	S	Bend	trans	-160.2	165.6	175.6	56.3	73.4	0	0	0	109.9	G252 K256 E257 L258	G252-N254 PolarHBondContact O-N 2.91Å; N254-K256 PolarHBondContact O-N 3.28Å; N254-K256 WeakPolarHBondContact OD1-CB 3.2Å; N254-K256 PolarHBondContact OD1-N 3.39Å; N254-E257 PolarHBondContact O-N 3.03Å; N254-E257 PolarHBondContact OD1-N 3.46Å; N254-L258 PolarHBondContact O-N 3.04Å
255	L	80.6	Confident	89.6	Confident	104 Å²	104	62.9 Å²	62.9	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-27.9	-177.2	-171.9	61.7	0	0	0	113.9	P213 F221 L258 R259	P213-L255 HydrophobicContact CB-CD1 3.8Å; P213-L255 HydrophobicContact CG-CD1 4.17Å; F221-L255 HydrophobicContact CE1-CD1 3.93Å; L255-L258 HydrophobicContact CD1-CD2 4.39Å; L255-R259 WeakPolarHBondContact O-CB 3.26Å; L255-R259 PolarHBondContact O-N 2.88Å
256	K	87.8	Confident	89.7	Confident	144 Å²	144	69.8 Å²	69.8	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-69.7	-49.8	176	175.7	-174.5	168.1	-175.5	0	110.8	N254 L258 R259 E260	N254-K256 PolarHBondContact O-N 3.28Å; N254-K256 WeakPolarHBondContact OD1-CB 3.2Å; N254-K256 PolarHBondContact OD1-N 3.39Å; K256-L258 VanDerWaalsContact C-N 3.34Å; K256-L258 PolarHBondContact O-N 3.27Å; K256-R259 WeakPolarHBondContact O-CB 3.46Å; K256-R259 PolarHBondContact O-N 3.18Å; K256-E260 WeakPolarHBondContact CE-OE1 3.34Å; K256-E260 WeakPolarHBondContact CG-OE1 3.19Å; K256-E260 IonicContact NZ-OE1 3.95Å; K256-E260 WeakPolarHBondContact O-CG 3.2Å; K256-E260 PolarHBondContact O-N 2.5Å
257	E	89.9	Confident	90.1	Very high	50 Å²	50	71.5 Å²	71.5	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-41.6	178	-171.2	-176.3	-136.6	0	0	111.6	G252 Q253 N254 E260 R261	G252-E257 WeakPolarHBondContact CA-OE2 3.45Å; Q253-E257 PolarHBondContact N-OE2 3.04Å; N254-E257 PolarHBondContact O-N 3.03Å; N254-E257 PolarHBondContact OD1-N 3.46Å; E257-E260 PolarHBondContact O-N 2.89Å; E257-R261 VanDerWaalsContact CD-NH1 3.27Å; E257-R261 WeakPolarHBondContact O-CG 3.44Å; E257-R261 PolarHBondContact O-N 3.25Å; E257-R261 IonicContact OE1-CZ 4Å; E257-R261 IonicContact OE1-NE 3.81Å; E257-R261 IonicContact OE1-NH1 3.83Å; E257-R261 IonicContact OE1-NH2 3.06Å; E257-R261 PolarHBondContact OE1-NH2 3.02Å; E257-R261 IonicContact OE2-CZ 3.72Å; E257-R261 IonicContact OE2-NH1 2.84Å; E257-R261 PolarHBondContact OE2-NH1 3.06Å; E257-R261 IonicContact OE2-NH2 2.81Å; E257-R261 PolarHBondContact OE2-NH2 3.34Å
258	L	89.1	Confident	90.4	Very high	11 Å²	11	78.3 Å²	78.3	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-48.8	173.9	176.1	60.7	0	0	0	111.2	P213 P214 F250 N254 L255 K256 E260 R261 V262	P213-L258 HydrophobicContact CB-CD2 3.87Å; P214-L258 HydrophobicContact CG-CD2 4.19Å; F250-L258 HydrophobicContact CB-CD1 4.17Å; N254-L258 PolarHBondContact O-N 3.04Å; L255-L258 HydrophobicContact CD1-CD2 4.39Å; K256-L258 VanDerWaalsContact C-N 3.34Å; K256-L258 PolarHBondContact O-N 3.27Å; L258-E260 PolarHBondContact O-N 2.91Å; L258-R261 PolarHBondContact O-N 3Å; L258-V262 HydrophobicContact CD1-CG2 4.03Å; L258-V262 HydrophobicContact CG-CG2 4.42Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 3.47Å
259	R	91.7	Very high	90.7	Very high	119 Å²	119	80 Å²	80	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-56.5	-47.8	176.3	177.5	176.6	-169.4	-157.1	3.2	111.8	F221 L255 K256 R261 V262 L263	F221-R259 HydrophobicContact CB-CG 4.1Å; F221-R259 HydrophobicContact CD1-CB 3.79Å; F221-R259 HydrophobicContact CD1-CG 3.7Å; F221-R259 HydrophobicContact CE1-CB 4.01Å; F221-R259 HydrophobicContact CE1-CG 4.43Å; F221-R259 HydrophobicContact CG-CG 4.15Å; F221-R259 VanDerWaalsContact O-CZ 3.27Å; F221-R259 PolarHBondContact O-NE 2.78Å; F221-R259 PolarHBondContact O-NH2 3.03Å; L255-R259 WeakPolarHBondContact O-CB 3.26Å; L255-R259 PolarHBondContact O-N 2.88Å; K256-R259 WeakPolarHBondContact O-CB 3.46Å; K256-R259 PolarHBondContact O-N 3.18Å; R259-R261 VanDerWaalsContact C-N 3.29Å; R259-R261 PolarHBondContact O-N 3.44Å; R259-V262 PolarHBondContact O-N 3.36Å; R259-L263 HydrophobicContact CG-CD1 3.8Å; R259-L263 HydrophobicContact CG-CG 4.2Å; R259-L263 WeakPolarHBondContact O-CB 3.31Å; R259-L263 VanDerWaalsContact O-CG 3.23Å; R259-L263 WeakPolarHBondContact O-CG 3.37Å; R259-L263 PolarHBondContact O-N 2.83Å
260	E	95.1	Very high	90.6	Very high	104 Å²	104	79.9 Å²	79.9	49%	0.486	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-37.2	178.4	-73.3	171.5	-167.2	0	0	112.2	K256 E257 L258 R264	K256-E260 WeakPolarHBondContact CE-OE1 3.34Å; K256-E260 WeakPolarHBondContact CG-OE1 3.19Å; K256-E260 IonicContact NZ-OE1 3.95Å; K256-E260 WeakPolarHBondContact O-CG 3.2Å; K256-E260 PolarHBondContact O-N 2.5Å; E257-E260 PolarHBondContact O-N 2.89Å; L258-E260 PolarHBondContact O-N 2.91Å; E260-R264 VanDerWaalsContact O-CB 3.23Å; E260-R264 WeakPolarHBondContact O-CB 3.49Å; E260-R264 PolarHBondContact O-N 2.94Å
261	R	94.1	Very high	90.7	Very high	82 Å²	82	89.2 Å²	89.2	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-72.2	-43.3	176.9	-72.1	168	174.1	172.7	0.9	112.6	D251 E257 L258 R259 R264 G265	D251-R261 WeakPolarHBondContact O-CD 3.29Å; D251-R261 PolarHBondContact O-NH1 2.87Å; E257-R261 VanDerWaalsContact CD-NH1 3.27Å; E257-R261 WeakPolarHBondContact O-CG 3.44Å; E257-R261 PolarHBondContact O-N 3.25Å; E257-R261 IonicContact OE1-CZ 4Å; E257-R261 IonicContact OE1-NE 3.81Å; E257-R261 IonicContact OE1-NH1 3.83Å; E257-R261 IonicContact OE1-NH2 3.06Å; E257-R261 PolarHBondContact OE1-NH2 3.02Å; E257-R261 IonicContact OE2-CZ 3.72Å; E257-R261 IonicContact OE2-NH1 2.84Å; E257-R261 PolarHBondContact OE2-NH1 3.06Å; E257-R261 IonicContact OE2-NH2 2.81Å; E257-R261 PolarHBondContact OE2-NH2 3.34Å; L258-R261 PolarHBondContact O-N 3Å; R259-R261 VanDerWaalsContact C-N 3.29Å; R259-R261 PolarHBondContact O-N 3.44Å; R261-R264 PolarHBondContact O-N 2.86Å; R261-G265 PolarHBondContact O-N 3.3Å
262	V	96.1	Very high	91	Very high	0 Å²	0	88.7 Å²	88.7	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-62.3	-50.1	175.2	168.5	0	0	0	0	111	P218 F221 W234 F250 L258 R259 R264 G265 L287	P218-V262 HydrophobicContact CB-CG1 4.13Å; F221-V262 HydrophobicContact CD2-CB 4.32Å; F221-V262 HydrophobicContact CD2-CG1 3.72Å; F221-V262 HydrophobicContact CE2-CB 4.2Å; F221-V262 HydrophobicContact CE2-CG1 3.86Å; F221-V262 HydrophobicContact CE2-CG2 4.13Å; W234-V262 HydrophobicContact CZ2-CG1 4.03Å; F250-V262 HydrophobicContact CB-CG2 3.68Å; F250-V262 HydrophobicContact CD2-CG2 4.05Å; F250-V262 HydrophobicContact CG-CG2 3.94Å; L258-V262 HydrophobicContact CD1-CG2 4.03Å; L258-V262 HydrophobicContact CG-CG2 4.42Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 3.47Å; R259-V262 PolarHBondContact O-N 3.36Å; V262-R264 PolarHBondContact O-N 3.29Å; V262-G265 PolarHBondContact O-N 3.24Å; V262-L287 WeakPolarHBondContact O-CD2 3.3Å
263	L	96.6	Very high	91.9	Very high	53 Å²	53	88.6 Å²	88.6	28%	0.277	39%	0.393	S	S	.	.	H	α-helix	trans	-64.3	-25.2	179.7	-67.2	-176.8	0	0	0	113.1	P218 F221 Q222 R259	P218-L263 HydrophobicContact CB-CD2 3.76Å; P218-L263 WeakPolarHBondContact O-CD2 3.49Å; F221-L263 HydrophobicContact CB-CD2 3.99Å; F221-L263 HydrophobicContact CB-CG 4.4Å; Q222-L263 HydrophobicContact CG-CD2 3.86Å; R259-L263 HydrophobicContact CG-CD1 3.8Å; R259-L263 HydrophobicContact CG-CG 4.2Å; R259-L263 WeakPolarHBondContact O-CB 3.31Å; R259-L263 VanDerWaalsContact O-CG 3.23Å; R259-L263 WeakPolarHBondContact O-CG 3.37Å; R259-L263 PolarHBondContact O-N 2.83Å
264	R	96.9	Very high	92.9	Very high	141 Å²	141	81.7 Å²	81.7	53%	0.532	37%	0.365	S	S	.	.	H	α-helix	trans	-79.2	-21.4	173.6	-172.7	174.8	68.9	-164	2.9	113.3	E260 R261 V262 K266	E260-R264 VanDerWaalsContact O-CB 3.23Å; E260-R264 WeakPolarHBondContact O-CB 3.49Å; E260-R264 PolarHBondContact O-N 2.94Å; R261-R264 PolarHBondContact O-N 2.86Å; V262-R264 PolarHBondContact O-N 3.29Å; R264-K266 HydrophobicContact CG-CB 4.34Å; R264-K266 HydrophobicContact CG-CD 4.23Å; R264-K266 HydrophobicContact CG-CG 4.2Å; R264-K266 PolarHBondContact O-N 2.83Å
265	G	95.3	Very high	93.7	Very high	15 Å²	15	82 Å²	82	16%	0.155	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	11.1	175.4	0	0	0	0	0	116.2	R261 V262	R261-G265 PolarHBondContact O-N 3.3Å; V262-G265 PolarHBondContact O-N 3.24Å
266	K	94.6	Very high	94.6	Very high	156 Å²	156	78.9 Å²	78.9	68%	0.678	35%	0.354	S	S	*	.			trans	-99.4	110.6	-176.5	-70.8	-175.9	-179.2	-175.3	0	111.4	R264	R264-K266 HydrophobicContact CG-CB 4.34Å; R264-K266 HydrophobicContact CG-CD 4.23Å; R264-K266 HydrophobicContact CG-CG 4.2Å; R264-K266 PolarHBondContact O-N 2.83Å
267	Y	95.8	Very high	95.1	Very high	48 Å²	48	72 Å²	72	19%	0.188	32%	0.324	C	S	.	.			trans	-110.4	167.1	172.9	54.4	-83.6	0	0	0	111	Y241 P249 F250 I269 L281 L285	Y241-Y267 HydrophobicContact CD2-CD2 4.02Å; Y241-Y267 AromaticContact CE2-CD2 3.89Å; Y241-Y267 HydrophobicContact CE2-CD2 3.89Å; P249-Y267 HydrophobicContact CB-CG 4.33Å; F250-Y267 HydrophobicContact CE1-CD1 4.13Å; F250-Y267 AromaticContact CZ-CD1 3.92Å; F250-Y267 HydrophobicContact CZ-CD1 3.92Å; Y267-I269 HydrophobicContact CD2-CD1 3.89Å; Y267-I269 HydrophobicContact CE2-CD1 3.55Å; Y267-L281 HydrophobicContact CE2-CB 4.26Å; Y267-L281 HydrophobicContact CE2-CD1 4.38Å; Y267-L285 HydrophobicContact CD1-CD1 3.89Å; Y267-L285 HydrophobicContact CE1-CB 3.83Å; Y267-L285 HydrophobicContact CE1-CD1 3.63Å; Y267-L285 HydrophobicContact CE1-CG 4.38Å; Y267-L285 HydrophobicContact CE2-CD1 4.39Å; Y267-L285 HydrophobicContact CG-CD1 4.4Å
268	R	93.7	Very high	95.5	Very high	198 Å²	198	72 Å²	72	75%	0.747	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-93.9	131.3	-178	178	-179.8	-178.8	175.1	2.6	110.7	Y241 P270	Y241-R268 VanDerWaalsContact CE2-O 3.29Å; Y241-R268 WeakPolarHBondContact CE2-O 3.45Å; Y241-R268 PolarHBondContact OH-O 3.24Å; Y241-R268 VanDerWaalsContact OH-O 3.1Å; R268-P270 WeakPolarHBondContact O-CD 3.4Å
269	I	95.8	Very high	95.9	Very high	61 Å²	61	74.6 Å²	74.6	31%	0.313	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-85.9	121.1	166.9	-52.1	-50.9	0	0	0	109.1	Y267 M273 E278	Y267-I269 HydrophobicContact CD2-CD1 3.89Å; Y267-I269 HydrophobicContact CE2-CD1 3.55Å; I269-M273 HydrophobicContact CD1-SD 4.16Å; I269-M273 HydrophobicContact CG2-CB 4.32Å; I269-M273 HydrophobicContact CG2-SD 4Å; I269-E278 HydrophobicContact CD1-CG 3.78Å; I269-E278 HydrophobicContact CG1-CG 4.04Å; I269-E278 HydrophobicContact CG2-CG 4.46Å
270	P	92.7	Very high	96.3	Very high	12 Å²	12	68.9 Å²	68.9	8%	0.078	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-75.7	146.1	171.9	-13.4	29.7	0	0	0	111.4	R268 Y272 M273	R268-P270 WeakPolarHBondContact O-CD 3.4Å; P270-Y272 HydrophobicContact CB-CD1 3.95Å; P270-Y272 HydrophobicContact CB-CD2 3.94Å; P270-Y272 HydrophobicContact CB-CE1 3.56Å; P270-Y272 HydrophobicContact CB-CE2 3.53Å; P270-Y272 HydrophobicContact CB-CG 4.14Å; P270-Y272 HydrophobicContact CG-CE1 4.47Å; P270-Y272 HydrophobicContact CG-CE2 3.87Å; P270-Y272 PolarHBondContact O-N 2.69Å; P270-M273 HydrophobicContact CG-CE 4.42Å; P270-M273 WeakPolarHBondContact O-CB 3.37Å; P270-M273 PolarHBondContact O-N 3.11Å
271	F	94.8	Very high	96.4	Very high	198 Å²	198	64 Å²	64	87%	0.868	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.8	-179.8	71.1	-93.8	0	0	0	115.2
272	Y	93.8	Very high	96.6	Very high	77 Å²	77	64.7 Å²	64.7	30%	0.302	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	0.2	-178.9	57.5	-113.8	0	0	0	113.7	R146 S245 P270	R146-Y272 WeakPolarHBondContact CD-OH 3.4Å; S245-Y272 PolarHBondContact O-OH 3.43Å; P270-Y272 HydrophobicContact CB-CD1 3.95Å; P270-Y272 HydrophobicContact CB-CD2 3.94Å; P270-Y272 HydrophobicContact CB-CE1 3.56Å; P270-Y272 HydrophobicContact CB-CE2 3.53Å; P270-Y272 HydrophobicContact CB-CG 4.14Å; P270-Y272 HydrophobicContact CG-CE1 4.47Å; P270-Y272 HydrophobicContact CG-CE2 3.87Å; P270-Y272 PolarHBondContact O-N 2.69Å
273	M	97.7	Very high	96.7	Very high	18 Å²	18	68.6 Å²	68.6	9%	0.089	32%	0.316	C	S	.	.	S	Bend	trans	-85.1	134.5	176.5	-179.9	-178.6	-79.3	0	0	109.1	Y241 V244 I269 P270 C277 E278 L281	Y241-M273 HydrophobicContact CD2-CE 4.11Å; Y241-M273 HydrophobicContact CE2-CE 4.26Å; V244-M273 HydrophobicContact CG2-CE 3.63Å; I269-M273 HydrophobicContact CD1-SD 4.16Å; I269-M273 HydrophobicContact CG2-CB 4.32Å; I269-M273 HydrophobicContact CG2-SD 4Å; P270-M273 HydrophobicContact CG-CE 4.42Å; P270-M273 WeakPolarHBondContact O-CB 3.37Å; P270-M273 PolarHBondContact O-N 3.11Å; M273-C277 HydrophobicContact CG-CB 3.81Å; M273-E278 HydrophobicContact SD-CB 4.42Å; M273-L281 HydrophobicContact CE-CD1 3.62Å; M273-L281 HydrophobicContact SD-CD1 3.73Å
274	S	98.3	Very high	96.7	Very high	37 Å²	37	66.1 Å²	66.1	26%	0.259	30%	0.303	S	S	.	.			trans	-71	150.2	176.8	71.8	0	0	0	0	111.8	E149 D276 C277 E278	E149-S274 PolarHBondContact OE1-N 2.83Å; E149-S274 PolarHBondContact OE1-OG 2.81Å; E149-S274 WeakPolarHBondContact OE2-CB 3.48Å; E149-S274 PolarHBondContact OE2-OG 2.88Å; S274-D276 PolarHBondContact O-N 3.44Å; S274-C277 WeakPolarHBondContact O-CB 3.39Å; S274-C277 PolarHBondContact O-N 3.41Å; S274-C277 WeakPolarHBondContact OG-CB 3.33Å; S274-C277 PolarHBondContact OG-N 2.84Å; S274-C277 VanDerWaalsContact OG-N 3.07Å; S274-E278 PolarHBondContact O-N 2.94Å
275	T	98.3	Very high	96.8	Very high	94 Å²	94	59.9 Å²	59.9	58%	0.577	28%	0.28	S	S	*	.	H	α-helix	trans	-58.9	-30.5	173.4	-45.2	0	0	0	0	111.8	N279	T275-N279 VanDerWaalsContact O-CB 3.28Å; T275-N279 WeakPolarHBondContact O-CB 3.4Å; T275-N279 PolarHBondContact O-N 3.24Å; T275-N279 PolarHBondContact O-ND2 2.93Å
276	D	98.4	Very high	96.9	Very high	39 Å²	39	61.5 Å²	61.5	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-66.4	-43.7	173.2	-66.6	-47.4	0	0	0	111.6	S274 N279 L280 R302 W303	S274-D276 PolarHBondContact O-N 3.44Å; D276-N279 PolarHBondContact O-N 3.21Å; D276-L280 PolarHBondContact O-N 3.39Å; D276-R302 WeakPolarHBondContact OD1-CD 3.34Å; D276-R302 IonicContact OD1-CZ 2.68Å; D276-R302 IonicContact OD1-NE 2.77Å; D276-R302 IonicContact OD1-NH1 3.24Å; D276-R302 PolarHBondContact OD1-NH1 2.64Å; D276-R302 IonicContact OD2-CZ 3.36Å; D276-R302 IonicContact OD2-NH1 3.22Å; D276-R302 PolarHBondContact OD2-NH1 2.89Å; D276-W303 HydrophobicContact CB-CB 4.05Å; D276-W303 HydrophobicContact CB-CG 4.39Å
277	C	98.6	Very high	97	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-40.3	175.7	-170.1	0	0	0	0	111.8	M273 S274 L280 L281 W303	M273-C277 HydrophobicContact CG-CB 3.81Å; S274-C277 WeakPolarHBondContact O-CB 3.39Å; S274-C277 PolarHBondContact O-N 3.41Å; S274-C277 WeakPolarHBondContact OG-CB 3.33Å; S274-C277 PolarHBondContact OG-N 2.84Å; S274-C277 VanDerWaalsContact OG-N 3.07Å; C277-L280 PolarHBondContact O-N 2.98Å; C277-L281 WeakPolarHBondContact O-CG 3.36Å; C277-L281 PolarHBondContact O-N 3.01Å; C277-W303 HydrophobicContact CB-CG 4.43Å; C277-W303 VanDerWaalsContact N-CD1 3.35Å
278	E	98.3	Very high	97	Very high	48 Å²	48	58.6 Å²	58.6	22%	0.224	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-43.9	173.8	-174.3	-170	155	0	0	111.3	I269 M273 S274 L280 L281 K282	I269-E278 HydrophobicContact CD1-CG 3.78Å; I269-E278 HydrophobicContact CG1-CG 4.04Å; I269-E278 HydrophobicContact CG2-CG 4.46Å; M273-E278 HydrophobicContact SD-CB 4.42Å; S274-E278 PolarHBondContact O-N 2.94Å; E278-L280 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 3.35Å; E278-L281 PolarHBondContact O-N 3.48Å; E278-K282 VanDerWaalsContact CD-NZ 3.34Å; E278-K282 WeakPolarHBondContact O-CG 3.39Å; E278-K282 PolarHBondContact O-N 3.08Å; E278-K282 WeakPolarHBondContact OE1-CE 3.31Å; E278-K282 IonicContact OE1-NZ 2.64Å; E278-K282 PolarHBondContact OE1-NZ 2.89Å
279	N	98.3	Very high	97.1	Very high	66 Å²	66	51 Å²	51	35%	0.353	26%	0.256	S	S	.	.	H	α-helix	trans	-67.7	-32.7	179	-72.2	-20.7	0	0	0	112.9	T275 D276 K282	T275-N279 VanDerWaalsContact O-CB 3.28Å; T275-N279 WeakPolarHBondContact O-CB 3.4Å; T275-N279 PolarHBondContact O-N 3.24Å; T275-N279 PolarHBondContact O-ND2 2.93Å; D276-N279 PolarHBondContact O-N 3.21Å; N279-K282 PolarHBondContact OD1-NZ 3.17Å
280	L	98.4	Very high	97	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-44.6	170.5	177.7	56.3	0	0	0	111.7	L240 D276 C277 E278 K282 K283 F284 I298 D301 W303 M304	L240-L280 HydrophobicContact CD2-CD2 3.61Å; L240-L280 HydrophobicContact CD2-CG 3.78Å; D276-L280 PolarHBondContact O-N 3.39Å; C277-L280 PolarHBondContact O-N 2.98Å; E278-L280 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 3.35Å; L280-K282 PolarHBondContact O-N 3.21Å; L280-K283 WeakPolarHBondContact O-CB 3.42Å; L280-K283 PolarHBondContact O-N 3.3Å; L280-F284 HydrophobicContact CD1-CD2 4.06Å; L280-F284 HydrophobicContact CD1-CE2 3.59Å; L280-F284 HydrophobicContact CD1-CZ 4.42Å; L280-F284 HydrophobicContact CD2-CE2 4.26Å; L280-F284 HydrophobicContact CG-CD2 4.12Å; L280-F284 HydrophobicContact CG-CE2 3.75Å; L280-F284 WeakPolarHBondContact O-CD2 3.35Å; L280-F284 PolarHBondContact O-N 3.41Å; L280-I298 HydrophobicContact CD1-CG2 4.09Å; L280-D301 HydrophobicContact CD1-CB 4.03Å; L280-W303 HydrophobicContact CB-CB 4.23Å; L280-W303 HydrophobicContact CD2-CB 4.01Å; L280-W303 HydrophobicContact CD2-CD2 3.98Å; L280-W303 HydrophobicContact CD2-CE3 3.4Å; L280-W303 HydrophobicContact CD2-CG 4.26Å; L280-W303 HydrophobicContact CD2-CZ3 4.16Å; L280-M304 HydrophobicContact CD2-CG 4.09Å; L280-M304 HydrophobicContact CD2-SD 3.87Å
281	L	98.5	Very high	97.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-35.6	175.6	-74.6	167.4	0	0	0	112.4	G237 L240 Y241 Y267 M273 C277 E278 K283 F284 L285	G237-L281 WeakPolarHBondContact O-CD2 3.35Å; L240-L281 HydrophobicContact CB-CD2 4.13Å; L240-L281 HydrophobicContact CD2-CD2 3.9Å; L240-L281 HydrophobicContact CD2-CG 4.11Å; L240-L281 HydrophobicContact CG-CD2 3.99Å; L240-L281 HydrophobicContact CG-CG 4.47Å; Y241-L281 HydrophobicContact CD2-CD1 4.04Å; Y267-L281 HydrophobicContact CE2-CB 4.26Å; Y267-L281 HydrophobicContact CE2-CD1 4.38Å; M273-L281 HydrophobicContact CE-CD1 3.62Å; M273-L281 HydrophobicContact SD-CD1 3.73Å; C277-L281 WeakPolarHBondContact O-CG 3.36Å; C277-L281 PolarHBondContact O-N 3.01Å; E278-L281 PolarHBondContact O-N 3.48Å; L281-K283 PolarHBondContact O-N 3.36Å; L281-F284 PolarHBondContact O-N 2.94Å; L281-L285 HydrophobicContact CD2-CD1 4.28Å; L281-L285 PolarHBondContact O-N 2.86Å
282	K	97.4	Very high	97.3	Very high	97 Å²	97	51.3 Å²	51.3	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-17.2	172	-73	169.4	-171.5	156	0	114.5	E278 N279 L280 I286	E278-K282 VanDerWaalsContact CD-NZ 3.34Å; E278-K282 WeakPolarHBondContact O-CG 3.39Å; E278-K282 PolarHBondContact O-N 3.08Å; E278-K282 WeakPolarHBondContact OE1-CE 3.31Å; E278-K282 IonicContact OE1-NZ 2.64Å; E278-K282 PolarHBondContact OE1-NZ 2.89Å; N279-K282 PolarHBondContact OD1-NZ 3.17Å; L280-K282 PolarHBondContact O-N 3.21Å; K282-I286 WeakPolarHBondContact O-CD1 3.43Å; K282-I286 WeakPolarHBondContact O-CG1 3.45Å
283	K	98	Very high	97.2	Very high	83 Å²	83	48.2 Å²	48.2	36%	0.361	26%	0.257	S	S	.	.	H	α-helix	trans	-88	-29.9	174.5	-66.5	174.8	176.7	-179.2	0	113	L280 L281 G293 D301	L280-K283 WeakPolarHBondContact O-CB 3.42Å; L280-K283 PolarHBondContact O-N 3.3Å; L281-K283 PolarHBondContact O-N 3.36Å; K283-G293 PolarHBondContact O-N 2.99Å; K283-D301 IonicContact NZ-OD2 3.6Å; K283-D301 PolarHBondContact NZ-OD2 2.97Å
284	F	98.2	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-82.8	-55.1	176.5	-72.5	-70.2	0	0	0	112.7	F156 V233 L236 G237 L240 L280 L281 I286 L295 I298	F156-F284 AromaticContact CE1-CE2 3.6Å; F156-F284 HydrophobicContact CE1-CE2 3.6Å; F156-F284 AromaticContact CE1-CZ 3.49Å; F156-F284 HydrophobicContact CE1-CZ 3.49Å; F156-F284 VanDerWaalsContact CE1-CZ 3.49Å; F156-F284 HydrophobicContact CZ-CE1 4.3Å; F156-F284 AromaticContact CZ-CE2 3.69Å; F156-F284 HydrophobicContact CZ-CE2 3.69Å; F156-F284 AromaticContact CZ-CZ 3.43Å; F156-F284 HydrophobicContact CZ-CZ 3.43Å; F156-F284 VanDerWaalsContact CZ-CZ 3.43Å; V233-F284 HydrophobicContact CG1-CD1 3.73Å; V233-F284 HydrophobicContact CG1-CE1 4.37Å; V233-F284 WeakPolarHBondContact O-CD1 3.36Å; L236-F284 HydrophobicContact CB-CD1 4.15Å; L236-F284 HydrophobicContact CB-CE1 3.69Å; L236-F284 HydrophobicContact CB-CZ 4.28Å; L236-F284 HydrophobicContact CD1-CE1 4.48Å; G237-F284 VanDerWaalsContact CA-CB 3.49Å; L240-F284 HydrophobicContact CD2-CD2 4.25Å; L240-F284 HydrophobicContact CD2-CE2 3.98Å; L280-F284 HydrophobicContact CD1-CD2 4.06Å; L280-F284 HydrophobicContact CD1-CE2 3.59Å; L280-F284 HydrophobicContact CD1-CZ 4.42Å; L280-F284 HydrophobicContact CD2-CE2 4.26Å; L280-F284 HydrophobicContact CG-CD2 4.12Å; L280-F284 HydrophobicContact CG-CE2 3.75Å; L280-F284 WeakPolarHBondContact O-CD2 3.35Å; L280-F284 PolarHBondContact O-N 3.41Å; L281-F284 PolarHBondContact O-N 2.94Å; F284-I286 PolarHBondContact O-N 2.82Å; F284-L295 HydrophobicContact CE1-CD2 4.15Å; F284-I298 HydrophobicContact CD1-CD1 3.82Å; F284-I298 HydrophobicContact CE1-CD1 3.65Å; F284-I298 HydrophobicContact CE1-CG2 4.09Å; F284-I298 HydrophobicContact CE2-CG2 4.17Å; F284-I298 HydrophobicContact CG-CD1 4.44Å; F284-I298 HydrophobicContact CZ-CD1 4.1Å; F284-I298 HydrophobicContact CZ-CG2 3.55Å
285	L	98.1	Very high	97.1	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.058	26%	0.263	C	S	.	.	S	Bend	trans	-86.4	46.1	-167	-61.6	179.7	0	0	0	112.7	W234 V238 F250 Y267 L281	W234-L285 HydrophobicContact CD2-CD2 3.97Å; W234-L285 HydrophobicContact CE3-CD2 4.12Å; W234-L285 HydrophobicContact CG-CD2 4.45Å; W234-L285 HydrophobicContact CH2-CD2 4.49Å; W234-L285 HydrophobicContact CZ2-CD2 4.34Å; W234-L285 HydrophobicContact CZ3-CB 4.27Å; W234-L285 HydrophobicContact CZ3-CD2 4.39Å; V238-L285 HydrophobicContact CG2-CD2 4.06Å; F250-L285 HydrophobicContact CE2-CD1 4.47Å; F250-L285 HydrophobicContact CE2-CD2 4.3Å; F250-L285 HydrophobicContact CZ-CD1 4.47Å; Y267-L285 HydrophobicContact CD1-CD1 3.89Å; Y267-L285 HydrophobicContact CE1-CB 3.83Å; Y267-L285 HydrophobicContact CE1-CD1 3.63Å; Y267-L285 HydrophobicContact CE1-CG 4.38Å; Y267-L285 HydrophobicContact CE2-CD1 4.39Å; Y267-L285 HydrophobicContact CG-CD1 4.4Å; L281-L285 HydrophobicContact CD2-CD1 4.28Å; L281-L285 PolarHBondContact O-N 2.86Å
286	I	97.6	Very high	97	Very high	48 Å²	48	49.6 Å²	49.6	25%	0.246	26%	0.258	C	S	.	.			trans	-91.2	126.4	176.6	-58.4	175.5	0	0	0	109.5	K282 F284 N288 K291 R292	K282-I286 WeakPolarHBondContact O-CD1 3.43Å; K282-I286 WeakPolarHBondContact O-CG1 3.45Å; F284-I286 PolarHBondContact O-N 2.82Å; I286-N288 VanDerWaalsContact C-N 3.32Å; I286-N288 PolarHBondContact O-N 3.24Å; I286-K291 WeakPolarHBondContact CD1-O 3.38Å; I286-K291 HydrophobicContact CG2-CB 3.87Å; I286-R292 HydrophobicContact CB-CG 3.97Å; I286-R292 PolarHBondContact O-NE 2.85Å; I286-R292 PolarHBondContact O-NH2 3Å
287	L	97	Very high	96.9	Very high	73 Å²	73	53.4 Å²	53.4	38%	0.382	28%	0.275	S	S	.	.	S	Bend	trans	-61.2	-36.5	-177.4	-71.9	176.6	0	0	0	113.6	P218 W234 V262 P289	P218-L287 HydrophobicContact CB-CD2 4.07Å; P218-L287 HydrophobicContact CG-CD2 3.94Å; W234-L287 HydrophobicContact CH2-CD2 4.06Å; W234-L287 HydrophobicContact CZ3-CD2 4.32Å; V262-L287 WeakPolarHBondContact O-CD2 3.3Å; L287-P289 WeakPolarHBondContact O-CD 3.45Å
288	N	96	Very high	96.9	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.374	28%	0.275	S	S	.	.	S	Bend	trans	-84.6	116.4	174.2	-177.2	-4.6	0	0	0	109.9	I286 S290 K291	I286-N288 VanDerWaalsContact C-N 3.32Å; I286-N288 PolarHBondContact O-N 3.24Å; N288-S290 VanDerWaalsContact C-N 3.33Å; N288-S290 PolarHBondContact O-N 3.18Å; N288-S290 PolarHBondContact OD1-N 2.82Å; N288-S290 PolarHBondContact OD1-OG 3.07Å; N288-S290 VanDerWaalsContact OD1-OG 3.1Å; N288-K291 HydrophobicContact CB-CB 4.4Å; N288-K291 HydrophobicContact CB-CD 4.5Å; N288-K291 HydrophobicContact CB-CG 4.38Å; N288-K291 PolarHBondContact O-N 2.6Å; N288-K291 VanDerWaalsContact O-N 3.12Å
289	P	95.6	Very high	96.9	Very high	40 Å²	40	51.1 Å²	51.1	26%	0.26	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-57.4	-40.8	-178.6	21.2	-33	0	0	0	113.7	E230 L287 K291 R292	E230-P289 HydrophobicContact CB-CB 3.98Å; E230-P289 HydrophobicContact CG-CB 3.65Å; L287-P289 WeakPolarHBondContact O-CD 3.45Å; P289-K291 PolarHBondContact O-N 3.41Å; P289-R292 WeakPolarHBondContact O-CB 3.44Å; P289-R292 PolarHBondContact O-N 2.79Å
290	S	93.7	Very high	96.8	Very high	106 Å²	106	54.6 Å²	54.6	74%	0.741	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-71.5	1.1	-178.9	66	0	0	0	0	114.6	N288	N288-S290 VanDerWaalsContact C-N 3.33Å; N288-S290 PolarHBondContact O-N 3.18Å; N288-S290 PolarHBondContact OD1-N 2.82Å; N288-S290 PolarHBondContact OD1-OG 3.07Å; N288-S290 VanDerWaalsContact OD1-OG 3.1Å
291	K	96	Very high	96.8	Very high	149 Å²	149	55.1 Å²	55.1	65%	0.648	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-110.8	-2.5	172.6	-67.3	-169.3	175.5	-170.1	0	113.5	I286 N288 P289	I286-K291 WeakPolarHBondContact CD1-O 3.38Å; I286-K291 HydrophobicContact CG2-CB 3.87Å; N288-K291 HydrophobicContact CB-CB 4.4Å; N288-K291 HydrophobicContact CB-CD 4.5Å; N288-K291 HydrophobicContact CB-CG 4.38Å; N288-K291 PolarHBondContact O-N 2.6Å; N288-K291 VanDerWaalsContact O-N 3.12Å; P289-K291 PolarHBondContact O-N 3.41Å
292	R	96.9	Very high	96.8	Very high	21 Å²	21	63.1 Å²	63.1	8%	0.079	31%	0.309	C	S	.	.	S	Bend	trans	-69.3	145.8	173.2	-65.8	179	-164	140	17.7	109.9	E219 E230 V233 I286 P289	E219-R292 IonicContact OE1-CZ 2.66Å; E219-R292 IonicContact OE1-NH1 2.75Å; E219-R292 PolarHBondContact OE1-NH1 2.8Å; E219-R292 IonicContact OE1-NH2 2.92Å; E219-R292 PolarHBondContact OE1-NH2 3.48Å; E219-R292 IonicContact OE2-CZ 3.9Å; E219-R292 IonicContact OE2-NH1 3.57Å; E219-R292 IonicContact OE2-NH2 3.19Å; E219-R292 PolarHBondContact OE2-NH2 3.48Å; E230-R292 PolarHBondContact O-NH1 3.06Å; V233-R292 HydrophobicContact CG1-CB 4.05Å; I286-R292 HydrophobicContact CB-CG 3.97Å; I286-R292 PolarHBondContact O-NE 2.85Å; I286-R292 PolarHBondContact O-NH2 3Å; P289-R292 WeakPolarHBondContact O-CB 3.44Å; P289-R292 PolarHBondContact O-N 2.79Å
293	G	91.8	Very high	96.9	Very high	12 Å²	12	58.6 Å²	58.6	12%	0.124	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.8	142.4	172.9	0	0	0	0	0	111.1	K283 I298	K283-G293 PolarHBondContact O-N 2.99Å; G293-I298 WeakPolarHBondContact O-CD1 3.21Å
294	T	95.8	Very high	96.9	Very high	70 Å²	70	54.6 Å²	54.6	43%	0.429	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-69.8	157	169.2	70.2	0	0	0	0	109.8	E296 Q297 I298	T294-E296 PolarHBondContact O-N 2.83Å; T294-Q297 WeakPolarHBondContact O-CB 3.09Å; T294-Q297 PolarHBondContact O-N 2.94Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.28Å; T294-Q297 PolarHBondContact OG1-N 3.24Å; T294-I298 WeakPolarHBondContact O-CG1 3.37Å; T294-I298 PolarHBondContact O-N 2.95Å
295	L	97.9	Very high	96.9	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-32.2	179.2	-66.9	-175.4	0	0	0	112.5	V160 V163 Q164 V233 L236 F284 Q297 I298 M299	V160-L295 HydrophobicContact CG1-CD2 4.46Å; V163-L295 HydrophobicContact CB-CD1 3.95Å; V163-L295 HydrophobicContact CG1-CD1 3.72Å; Q164-L295 HydrophobicContact CB-CB 3.83Å; Q164-L295 HydrophobicContact CB-CD1 4.04Å; Q164-L295 HydrophobicContact CG-CB 4.03Å; V233-L295 HydrophobicContact CG2-CD2 3.84Å; V233-L295 HydrophobicContact CG2-CG 3.96Å; L236-L295 HydrophobicContact CD1-CD1 4.04Å; L236-L295 HydrophobicContact CD1-CD2 3.73Å; F284-L295 HydrophobicContact CE1-CD2 4.15Å; L295-Q297 PolarHBondContact O-N 3.04Å; L295-I298 HydrophobicContact CD2-CD1 4.34Å; L295-I298 CarbonylContact O-C 3.59Å; L295-I298 PolarHBondContact O-N 3.3Å; L295-M299 WeakPolarHBondContact O-CB 3.42Å; L295-M299 WeakPolarHBondContact O-CG 3.47Å; L295-M299 PolarHBondContact O-N 3.39Å
296	E	96.1	Very high	96.8	Very high	103 Å²	103	57.6 Å²	57.6	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-32.8	174.3	-61.6	-179.6	178.2	0	0	113.8	Q164 T294 P315	Q164-E296 HydrophobicContact CG-CG 4.17Å; T294-E296 PolarHBondContact O-N 2.83Å; E296-P315 HydrophobicContact CG-CG 4.36Å
297	Q	96.8	Very high	96.8	Very high	118 Å²	118	57.8 Å²	57.8	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-73.8	-32.7	172.2	-68.1	166.8	-9.9	0	0	111.5	T294 L295	T294-Q297 WeakPolarHBondContact O-CB 3.09Å; T294-Q297 PolarHBondContact O-N 2.94Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.28Å; T294-Q297 PolarHBondContact OG1-N 3.24Å; L295-Q297 PolarHBondContact O-N 3.04Å
298	I	98.2	Very high	96.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-76.8	-35.5	-179.7	-77.2	166.1	0	0	0	111.8	V233 L280 F284 G293 T294 L295 K300 D301 M304	V233-I298 HydrophobicContact CG1-CD1 4.23Å; L280-I298 HydrophobicContact CD1-CG2 4.09Å; F284-I298 HydrophobicContact CD1-CD1 3.82Å; F284-I298 HydrophobicContact CE1-CD1 3.65Å; F284-I298 HydrophobicContact CE1-CG2 4.09Å; F284-I298 HydrophobicContact CE2-CG2 4.17Å; F284-I298 HydrophobicContact CG-CD1 4.44Å; F284-I298 HydrophobicContact CZ-CD1 4.1Å; F284-I298 HydrophobicContact CZ-CG2 3.55Å; G293-I298 WeakPolarHBondContact O-CD1 3.21Å; T294-I298 WeakPolarHBondContact O-CG1 3.37Å; T294-I298 PolarHBondContact O-N 2.95Å; L295-I298 HydrophobicContact CD2-CD1 4.34Å; L295-I298 CarbonylContact O-C 3.59Å; L295-I298 PolarHBondContact O-N 3.3Å; I298-K300 PolarHBondContact O-N 3.17Å; I298-D301 WeakPolarHBondContact O-CB 3.16Å; I298-D301 PolarHBondContact O-N 2.72Å; I298-M304 VanDerWaalsContact O-CG 3.3Å; I298-M304 WeakPolarHBondContact O-CG 3.34Å
299	M	98.3	Very high	96.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-55.7	-33.4	173.8	-77.4	168.2	134.4	0	0	112.4	V160 Q164 L295 D301 N305 L313 K314 P315	V160-M299 HydrophobicContact CG1-CG 3.67Å; Q164-M299 HydrophobicContact CB-CE 3.91Å; Q164-M299 HydrophobicContact CB-SD 4.19Å; Q164-M299 HydrophobicContact CG-CE 4.06Å; Q164-M299 HydrophobicContact CG-SD 3.85Å; L295-M299 WeakPolarHBondContact O-CB 3.42Å; L295-M299 WeakPolarHBondContact O-CG 3.47Å; L295-M299 PolarHBondContact O-N 3.39Å; M299-D301 VanDerWaalsContact C-N 3.32Å; M299-N305 PolarHBondContact O-ND2 3.13Å; M299-L313 HydrophobicContact CB-CB 4.37Å; M299-L313 HydrophobicContact CB-CD2 4.23Å; M299-L313 HydrophobicContact CB-CG 4.18Å; M299-L313 HydrophobicContact CE-CD2 4.42Å; M299-L313 HydrophobicContact CE-CG 4.11Å; M299-L313 HydrophobicContact CG-CD2 3.8Å; M299-L313 HydrophobicContact CG-CG 3.94Å; M299-K314 WeakPolarHBondContact CE-O 3.42Å; M299-P315 HydrophobicContact SD-CG 4.31Å
300	K	97.5	Very high	96.3	Very high	139 Å²	139	66 Å²	66	60%	0.604	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	7.4	177.8	-53.4	-177	-175.3	-179.3	0	113.9	I298 E312	I298-K300 PolarHBondContact O-N 3.17Å; K300-E312 WeakPolarHBondContact CB-OE1 3.39Å; K300-E312 WeakPolarHBondContact CG-OE1 3.17Å
301	D	98.3	Very high	96.4	Very high	10 Å²	10	65.3 Å²	65.3	5%	0.053	33%	0.328	C	S	.	.			trans	-68.5	146.7	179	-173.7	-96.6	0	0	0	111.9	L280 K283 I298 M299 W303 M304 N305	L280-D301 HydrophobicContact CD1-CB 4.03Å; K283-D301 IonicContact NZ-OD2 3.6Å; K283-D301 PolarHBondContact NZ-OD2 2.97Å; I298-D301 WeakPolarHBondContact O-CB 3.16Å; I298-D301 PolarHBondContact O-N 2.72Å; M299-D301 VanDerWaalsContact C-N 3.32Å; D301-W303 VanDerWaalsContact C-N 3.31Å; D301-W303 PolarHBondContact O-N 2.86Å; D301-W303 WeakPolarHBondContact OD1-CB 3.46Å; D301-W303 PolarHBondContact OD1-N 3.46Å; D301-M304 HydrophobicContact CB-CB 4.46Å; D301-M304 HydrophobicContact CB-CG 4.06Å; D301-M304 WeakPolarHBondContact O-CB 3.35Å; D301-M304 PolarHBondContact O-N 3.2Å; D301-N305 PolarHBondContact O-N 3.43Å; D301-N305 PolarHBondContact O-ND2 2.62Å
302	R	97.8	Very high	96.3	Very high	169 Å²	169	61.8 Å²	61.8	64%	0.638	31%	0.314	S	S	*	.	H	α-helix	trans	-55.5	-45.9	177.9	-175.4	173.9	-176.5	-123.5	-1.5	111.5	D276 M304 N305 V306	D276-R302 WeakPolarHBondContact OD1-CD 3.34Å; D276-R302 IonicContact OD1-CZ 2.68Å; D276-R302 IonicContact OD1-NE 2.77Å; D276-R302 IonicContact OD1-NH1 3.24Å; D276-R302 PolarHBondContact OD1-NH1 2.64Å; D276-R302 IonicContact OD2-CZ 3.36Å; D276-R302 IonicContact OD2-NH1 3.22Å; D276-R302 PolarHBondContact OD2-NH1 2.89Å; R302-M304 PolarHBondContact O-N 2.66Å; R302-N305 PolarHBondContact O-N 3.49Å; R302-V306 HydrophobicContact CG-CG2 4.29Å; R302-V306 WeakPolarHBondContact O-CG2 3.42Å; R302-V306 PolarHBondContact O-N 3.31Å; R302-V306 VanDerWaalsContact O-N 3.16Å
303	W	98.5	Very high	96.3	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-26.9	179.9	-169.5	89.9	0	0	0	112.7	E149 A152 R153 F156 L240 V244 D276 C277 L280 D301 N305	E149-W303 HydrophobicContact CB-CZ2 3.88Å; E149-W303 HydrophobicContact CG-CZ2 4.15Å; E149-W303 PolarHBondContact OE2-NE1 2.81Å; A152-W303 HydrophobicContact CB-CH2 4.19Å; R153-W303 HydrophobicContact CB-CH2 3.84Å; R153-W303 HydrophobicContact CB-CZ2 4.3Å; R153-W303 HydrophobicContact CB-CZ3 3.98Å; R153-W303 WeakPolarHBondContact CD-O 3.4Å; R153-W303 HydrophobicContact CG-CZ3 4.44Å; R153-W303 PolarHBondContact NE-O 2.88Å; R153-W303 PolarHBondContact NH2-O 2.84Å; F156-W303 HydrophobicContact CB-CZ3 4.42Å; F156-W303 HydrophobicContact CD1-CZ3 4.18Å; L240-W303 HydrophobicContact CD1-CH2 3.54Å; L240-W303 HydrophobicContact CD1-CZ2 4.24Å; L240-W303 HydrophobicContact CD1-CZ3 3.73Å; V244-W303 HydrophobicContact CG1-CZ2 4.29Å; D276-W303 HydrophobicContact CB-CB 4.05Å; D276-W303 HydrophobicContact CB-CG 4.39Å; C277-W303 HydrophobicContact CB-CG 4.43Å; C277-W303 VanDerWaalsContact N-CD1 3.35Å; L280-W303 HydrophobicContact CB-CB 4.23Å; L280-W303 HydrophobicContact CD2-CB 4.01Å; L280-W303 HydrophobicContact CD2-CD2 3.98Å; L280-W303 HydrophobicContact CD2-CE3 3.4Å; L280-W303 HydrophobicContact CD2-CG 4.26Å; L280-W303 HydrophobicContact CD2-CZ3 4.16Å; D301-W303 VanDerWaalsContact C-N 3.31Å; D301-W303 PolarHBondContact O-N 2.86Å; D301-W303 WeakPolarHBondContact OD1-CB 3.46Å; D301-W303 PolarHBondContact OD1-N 3.46Å; W303-N305 VanDerWaalsContact C-N 3.31Å; W303-N305 PolarHBondContact O-N 3.41Å
304	M	98.1	Very high	96.6	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-72.7	-23.2	178	-67.1	-62.3	-74.3	0	0	113.3	F156 R157 V160 L280 I298 D301 R302 L313	F156-M304 HydrophobicContact CD1-CE 3.96Å; F156-M304 HydrophobicContact CD1-SD 3.6Å; F156-M304 HydrophobicContact CE1-CE 4.48Å; F156-M304 HydrophobicContact CE1-SD 4.07Å; R157-M304 WeakPolarHBondContact CD-O 3.47Å; R157-M304 HydrophobicContact CG-CE 4.12Å; R157-M304 PolarHBondContact NH1-O 3.48Å; V160-M304 HydrophobicContact CB-CE 3.92Å; V160-M304 HydrophobicContact CG1-CE 4.25Å; V160-M304 HydrophobicContact CG2-CE 3.82Å; L280-M304 HydrophobicContact CD2-CG 4.09Å; L280-M304 HydrophobicContact CD2-SD 3.87Å; I298-M304 VanDerWaalsContact O-CG 3.3Å; I298-M304 WeakPolarHBondContact O-CG 3.34Å; D301-M304 HydrophobicContact CB-CB 4.46Å; D301-M304 HydrophobicContact CB-CG 4.06Å; D301-M304 WeakPolarHBondContact O-CB 3.35Å; D301-M304 PolarHBondContact O-N 3.2Å; R302-M304 PolarHBondContact O-N 2.66Å; M304-L313 HydrophobicContact CE-CD2 3.68Å
305	N	98.2	Very high	96.6	Very high	18 Å²	18	66 Å²	66	10%	0.096	33%	0.329	C	S	.	.	H	α-helix	trans	-120.6	-1.3	-168.3	-59.9	-68.7	0	0	0	115.4	R157 M299 D301 R302 W303 G307 H308 E312 L313	R157-N305 PolarHBondContact NH1-OD1 2.81Å; M299-N305 PolarHBondContact O-ND2 3.13Å; D301-N305 PolarHBondContact O-N 3.43Å; D301-N305 PolarHBondContact O-ND2 2.62Å; R302-N305 PolarHBondContact O-N 3.49Å; W303-N305 VanDerWaalsContact C-N 3.31Å; W303-N305 PolarHBondContact O-N 3.41Å; N305-G307 PolarHBondContact O-N 3.44Å; N305-H308 CarbonylContact O-C 3.6Å; N305-H308 WeakPolarHBondContact O-CA 3.22Å; N305-H308 PolarHBondContact O-N 3.29Å; N305-E312 WeakPolarHBondContact OD1-CA 3.49Å; N305-L313 PolarHBondContact OD1-N 2.93Å
306	V	97.6	Very high	96.6	Very high	55 Å²	55	68.4 Å²	68.4	33%	0.333	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	118.8	170.2	166.1	0	0	0	0	110.7	R153 R302	R153-V306 VanDerWaalsContact CD-O 3.27Å; R153-V306 WeakPolarHBondContact CD-O 3.47Å; R153-V306 PolarHBondContact NE-O 3.14Å; R153-V306 PolarHBondContact NH1-O 3.1Å; R302-V306 HydrophobicContact CG-CG2 4.29Å; R302-V306 WeakPolarHBondContact O-CG2 3.42Å; R302-V306 PolarHBondContact O-N 3.31Å; R302-V306 VanDerWaalsContact O-N 3.16Å
307	G	96.1	Very high	96.6	Very high	52 Å²	52	69.4 Å²	69.4	54%	0.536	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	15	-172.4	0	0	0	0	0	114.5	N305 E309	N305-G307 PolarHBondContact O-N 3.44Å; G307-E309 WeakPolarHBondContact CA-OE2 3.22Å; G307-E309 VanDerWaalsContact N-CD 3.33Å; G307-E309 PolarHBondContact N-OE1 3.04Å; G307-E309 PolarHBondContact N-OE2 3.31Å; G307-E309 VanDerWaalsContact N-OE2 3.13Å
308	H	95.6	Very high	96.4	Very high	52 Å²	52	66.4 Å²	66.4	24%	0.241	34%	0.337	C	S	.	.			trans	-139.8	37.6	175.6	-68.4	-95.5	0	0	0	110	R157 N305 D310 D311 E312	R157-H308 VanDerWaalsContact CZ-CG 3.49Å; R157-H308 PolarHBondContact NE-ND1 2.86Å; N305-H308 CarbonylContact O-C 3.6Å; N305-H308 WeakPolarHBondContact O-CA 3.22Å; N305-H308 PolarHBondContact O-N 3.29Å; H308-D310 VanDerWaalsContact C-N 3.33Å; H308-D310 PolarHBondContact O-N 3.44Å; H308-D311 HydrophobicContact CB-CB 4.36Å; H308-D311 IonicContact ND1-OD2 3.73Å; H308-D311 PolarHBondContact ND1-OD2 2.84Å; H308-D311 CarbonylContact O-C 3.52Å; H308-D311 WeakPolarHBondContact O-CA 3.1Å; H308-D311 PolarHBondContact O-N 2.9Å; H308-E312 PolarHBondContact O-N 2.86Å
309	E	91.9	Very high	95.9	Very high	131 Å²	131	70 Å²	70	61%	0.612	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-38	-172.9	-70.3	71.3	-163	0	0	112.6	G307 D311	G307-E309 WeakPolarHBondContact CA-OE2 3.22Å; G307-E309 VanDerWaalsContact N-CD 3.33Å; G307-E309 PolarHBondContact N-OE1 3.04Å; G307-E309 PolarHBondContact N-OE2 3.31Å; G307-E309 VanDerWaalsContact N-OE2 3.13Å; E309-D311 VanDerWaalsContact C-N 3.35Å
310	D	92.3	Very high	95.2	Very high	172 Å²	172	77.9 Å²	77.9	92%	0.92	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.5	174.4	-52.5	-64.6	0	0	0	113.4	H308	H308-D310 VanDerWaalsContact C-N 3.33Å; H308-D310 PolarHBondContact O-N 3.44Å
311	D	94.1	Very high	94.4	Very high	93 Å²	93	74.4 Å²	74.4	50%	0.497	39%	0.393	S	S	.	.	S	Bend	trans	-125	54.8	-174.6	176.2	50.1	0	0	0	109.9	R157 H308 E309 L313	R157-D311 IonicContact CZ-OD2 3.03Å; R157-D311 PolarHBondContact NH2-O 2.94Å; R157-D311 IonicContact NH2-OD1 3.01Å; R157-D311 IonicContact NH2-OD2 3.9Å; R157-D311 PolarHBondContact NH2-OD2 2.9Å; H308-D311 HydrophobicContact CB-CB 4.36Å; H308-D311 IonicContact ND1-OD2 3.73Å; H308-D311 PolarHBondContact ND1-OD2 2.84Å; H308-D311 CarbonylContact O-C 3.52Å; H308-D311 WeakPolarHBondContact O-CA 3.1Å; H308-D311 PolarHBondContact O-N 2.9Å; E309-D311 VanDerWaalsContact C-N 3.35Å; D311-L313 PolarHBondContact O-N 2.78Å
312	E	95.4	Very high	93.5	Very high	75 Å²	75	78.1 Å²	78.1	35%	0.35	41%	0.413	S	S	.	.			trans	-58.9	130.8	176	-168	-166.1	-166.2	0	0	110.4	K300 N305 H308 K314	K300-E312 WeakPolarHBondContact CB-OE1 3.39Å; K300-E312 WeakPolarHBondContact CG-OE1 3.17Å; N305-E312 WeakPolarHBondContact OD1-CA 3.49Å; H308-E312 PolarHBondContact O-N 2.86Å; E312-K314 VanDerWaalsContact O-CD 3.28Å; E312-K314 WeakPolarHBondContact O-CD 3.07Å; E312-K314 VanDerWaalsContact O-CE 3.29Å; E312-K314 WeakPolarHBondContact O-CE 3.45Å; E312-K314 WeakPolarHBondContact O-CG 3.41Å; E312-K314 PolarHBondContact O-N 2.99Å; E312-K314 PolarHBondContact O-NZ 3.1Å
313	L	97	Very high	92.8	Very high	18 Å²	18	72.3 Å²	72.3	9%	0.094	39%	0.392	C	S	.	.			trans	-63.3	124.9	-178.4	-175.2	63.5	0	0	0	110.7	R157 V160 M299 M304 N305 D311	R157-L313 HydrophobicContact CB-CD1 4.46Å; R157-L313 HydrophobicContact CB-CD2 4.18Å; R157-L313 HydrophobicContact CG-CD2 4.2Å; V160-L313 HydrophobicContact CB-CD2 4.45Å; V160-L313 HydrophobicContact CG1-CD2 4.25Å; M299-L313 HydrophobicContact CB-CB 4.37Å; M299-L313 HydrophobicContact CB-CD2 4.23Å; M299-L313 HydrophobicContact CB-CG 4.18Å; M299-L313 HydrophobicContact CE-CD2 4.42Å; M299-L313 HydrophobicContact CE-CG 4.11Å; M299-L313 HydrophobicContact CG-CD2 3.8Å; M299-L313 HydrophobicContact CG-CG 3.94Å; M304-L313 HydrophobicContact CE-CD2 3.68Å; N305-L313 PolarHBondContact OD1-N 2.93Å; D311-L313 PolarHBondContact O-N 2.78Å
314	K	96.6	Very high	92.1	Very high	123 Å²	123	80.8 Å²	80.8	54%	0.535	43%	0.428	S	S	.	.			trans	-125.5	157.3	-176.6	-71.4	143.1	-170.9	149.1	0	110.7	M299 E312 Y316	M299-K314 WeakPolarHBondContact CE-O 3.42Å; E312-K314 VanDerWaalsContact O-CD 3.28Å; E312-K314 WeakPolarHBondContact O-CD 3.07Å; E312-K314 VanDerWaalsContact O-CE 3.29Å; E312-K314 WeakPolarHBondContact O-CE 3.45Å; E312-K314 WeakPolarHBondContact O-CG 3.41Å; E312-K314 PolarHBondContact O-N 2.99Å; E312-K314 PolarHBondContact O-NZ 3.1Å; K314-Y316 PolarHBondContact O-N 3.28Å
315	P	97.4	Very high	91.6	Very high	51 Å²	51	82.4 Å²	82.4	33%	0.331	44%	0.437	S	S	.	.			trans	-47.6	135	169.8	-32.5	39.1	0	0	0	113	E296 M299 V317	E296-P315 HydrophobicContact CG-CG 4.36Å; M299-P315 HydrophobicContact SD-CG 4.31Å; P315-V317 PolarHBondContact O-N 3.5Å
316	Y	97.4	Very high	91.2	Very high	55 Å²	55	85.1 Å²	85.1	22%	0.216	46%	0.456	C	S	.	.			trans	-76.2	114.1	-178	176.9	-98	0	0	0	110.9	H109 P110 Y165 K314 E318 P319	H109-Y316 HydrophobicContact CB-CE1 4.37Å; H109-Y316 AromaticContact CD2-CD1 3.43Å; H109-Y316 VanDerWaalsContact CD2-CD1 3.43Å; H109-Y316 WeakPolarHBondContact CD2-CD1 3.27Å; H109-Y316 AromaticContact CD2-CD2 3.92Å; H109-Y316 AromaticContact CD2-CE1 3.96Å; H109-Y316 AromaticContact CD2-CG 3.39Å; H109-Y316 AromaticContact NE2-CG 3.8Å; P110-Y316 VanDerWaalsContact CD-CZ 3.48Å; P110-Y316 HydrophobicContact CG-CE2 4.05Å; Y165-Y316 AromaticContact CD2-CD1 3.68Å; Y165-Y316 HydrophobicContact CD2-CD1 3.68Å; Y165-Y316 HydrophobicContact CD2-CE1 4.44Å; Y165-Y316 HydrophobicContact CE2-CD1 4.01Å; Y165-Y316 HydrophobicContact CE2-CE1 4.35Å; Y165-Y316 HydrophobicContact CG-CD1 4.28Å; K314-Y316 PolarHBondContact O-N 3.28Å; Y316-E318 HydrophobicContact CE1-CB 4.16Å; Y316-E318 HydrophobicContact CE1-CG 4.44Å; Y316-P319 VanDerWaalsContact OH-CD 3.24Å; Y316-P319 WeakPolarHBondContact OH-CD 3.16Å
317	V	95.5	Very high	90.9	Very high	124 Å²	124	92.1 Å²	92.1	75%	0.752	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-82.1	117.9	170.2	-177.4	0	0	0	0	108.5	P315	P315-V317 PolarHBondContact O-N 3.5Å
318	E	92.3	Very high	90.7	Very high	55 Å²	55	92.1 Å²	92.1	26%	0.257	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-70.1	128.9	177.8	-169.9	177	155.7	0	0	111	N108 Y165 K169 Y316	N108-E318 WeakPolarHBondContact CB-OE1 3.2Å; N108-E318 PolarHBondContact ND2-OE1 3.08Å; Y165-E318 HydrophobicContact CE2-CB 4.21Å; Y165-E318 WeakPolarHBondContact CE2-OE2 3.4Å; Y165-E318 PolarHBondContact OH-OE2 3.06Å; K169-E318 VanDerWaalsContact CE-OE2 3.23Å; K169-E318 WeakPolarHBondContact CE-OE2 3.33Å; K169-E318 IonicContact NZ-OE2 2.72Å; K169-E318 PolarHBondContact NZ-OE2 3.47Å; Y316-E318 HydrophobicContact CE1-CB 4.16Å; Y316-E318 HydrophobicContact CE1-CG 4.44Å
319	P	88.6	Confident	90.6	Very high	77 Å²	77	90.6 Å²	90.6	50%	0.5	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-69	142.5	174.3	29.5	-34.5	0	0	0	110.4	Y316	Y316-P319 VanDerWaalsContact OH-CD 3.24Å; Y316-P319 WeakPolarHBondContact OH-CD 3.16Å
320	L	83.5	Confident	90.8	Very high	165 Å²	165	89.3 Å²	89.3	86%	0.864	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-55.7	133.1	174.1	-68	174.2	0	0	0	110.4	D322	L320-D322 PolarHBondContact O-N 2.94Å; L320-D322 VanDerWaalsContact O-N 3.12Å
321	P	80.8	Confident	90.9	Very high	66 Å²	66	83.2 Å²	83.2	43%	0.429	42%	0.415	S	S	.	.			trans	-61.1	115.1	179.1	-25.4	34.8	0	0	0	112.5	Y323	P321-Y323 HydrophobicContact CB-CD1 4.43Å; P321-Y323 HydrophobicContact CB-CD2 4.15Å; P321-Y323 HydrophobicContact CB-CE1 3.99Å; P321-Y323 HydrophobicContact CB-CE2 3.69Å; P321-Y323 PolarHBondContact O-N 3.03Å
322	D	79.3	Confident	91	Very high	88 Å²	88	78.8 Å²	78.8	47%	0.471	39%	0.392	S	S	.	.			trans	-80.7	99.4	168.8	-178.7	16.9	0	0	0	110.2	L320 K324 D325	L320-D322 PolarHBondContact O-N 2.94Å; L320-D322 VanDerWaalsContact O-N 3.12Å; D322-K324 WeakPolarHBondContact OD1-CA 3.39Å; D322-K324 PolarHBondContact OD1-N 3.32Å; D322-D325 PolarHBondContact OD1-N 3.13Å
323	Y	83.6	Confident	91	Very high	47 Å²	47	78 Å²	78	18%	0.184	39%	0.392	C	S	.	.			trans	-103.9	18.1	169.9	-60	-36	0	0	0	112.1	P321 L346 Y358	P321-Y323 HydrophobicContact CB-CD1 4.43Å; P321-Y323 HydrophobicContact CB-CD2 4.15Å; P321-Y323 HydrophobicContact CB-CE1 3.99Å; P321-Y323 HydrophobicContact CB-CE2 3.69Å; P321-Y323 PolarHBondContact O-N 3.03Å; Y323-L346 HydrophobicContact CD1-CB 4.34Å; Y323-L346 HydrophobicContact CD1-CD1 4.43Å; Y323-L346 HydrophobicContact CD1-CD2 3.91Å; Y323-L346 HydrophobicContact CD1-CG 4.45Å; Y323-L346 HydrophobicContact CD2-CB 4.12Å; Y323-L346 HydrophobicContact CE1-CD2 4.12Å; Y323-L346 WeakPolarHBondContact CE2-O 3.41Å; Y323-L346 HydrophobicContact CG-CB 3.97Å; Y323-L346 HydrophobicContact CG-CD1 4.4Å; Y323-L346 HydrophobicContact CG-CD2 4.4Å; Y323-L346 HydrophobicContact CG-CG 4.49Å; Y323-Y358 WeakPolarHBondContact CA-OH 3.44Å; Y323-Y358 HydrophobicContact CD1-CD1 4.48Å; Y323-Y358 HydrophobicContact CD1-CE1 4.06Å
324	K	82.4	Confident	90.9	Very high	179 Å²	179	80.7 Å²	80.7	78%	0.778	41%	0.413	S	S	*	.			trans	-115.1	1.2	-175.9	-65.1	-172.6	178.1	-176.6	0	114.1	D322 P326 Y358	D322-K324 WeakPolarHBondContact OD1-CA 3.39Å; D322-K324 PolarHBondContact OD1-N 3.32Å; K324-P326 WeakPolarHBondContact O-CD 3.3Å; K324-Y358 PolarHBondContact N-OH 2.86Å
325	D	88	Confident	90.8	Very high	34 Å²	34	77.2 Å²	77.2	18%	0.182	40%	0.399	C	S	.	.			trans	-54.8	106.8	173.4	-176.1	-20	0	0	0	110.6	D322 R327 R328 T329 Y358	D322-D325 PolarHBondContact OD1-N 3.13Å; D325-R327 VanDerWaalsContact C-N 3.27Å; D325-R327 PolarHBondContact O-N 3.31Å; D325-R327 WeakPolarHBondContact OD1-CB 3.29Å; D325-R327 PolarHBondContact OD1-N 3.28Å; D325-R328 HydrophobicContact CB-CG 4.38Å; D325-R328 PolarHBondContact O-N 3.3Å; D325-R328 IonicContact OD2-CZ 3.52Å; D325-R328 IonicContact OD2-NE 3.64Å; D325-R328 PolarHBondContact OD2-NE 2.9Å; D325-R328 IonicContact OD2-NH2 2.67Å; D325-R328 PolarHBondContact OD2-NH2 3.32Å; D325-T329 PolarHBondContact O-N 3.28Å; D325-T329 PolarHBondContact O-OG1 2.94Å; D325-Y358 WeakPolarHBondContact CB-OH 3.27Å; D325-Y358 PolarHBondContact N-OH 3.25Å
326	P	89.3	Confident	90.7	Very high	75 Å²	75	78 Å²	78	49%	0.487	42%	0.416	S	S	.	.	H	α-helix	trans	-70.8	-26.8	-172.2	29.3	-34.4	0	0	0	111.6	K324 R328 T329 E330	K324-P326 WeakPolarHBondContact O-CD 3.3Å; P326-R328 VanDerWaalsContact C-N 3.34Å; P326-R328 PolarHBondContact O-N 3.33Å; P326-T329 PolarHBondContact O-N 2.96Å; P326-E330 WeakPolarHBondContact O-CB 3.2Å; P326-E330 WeakPolarHBondContact O-CG 3.45Å; P326-E330 PolarHBondContact O-N 2.92Å
327	R	91.8	Very high	90.7	Very high	202 Å²	202	76.5 Å²	76.5	76%	0.762	41%	0.41	S	S	*	.	H	α-helix	trans	-67.5	-37.2	-177.9	-59.9	175.2	176.1	168.9	-1.4	111	D325 L331	D325-R327 VanDerWaalsContact C-N 3.27Å; D325-R327 PolarHBondContact O-N 3.31Å; D325-R327 WeakPolarHBondContact OD1-CB 3.29Å; D325-R327 PolarHBondContact OD1-N 3.28Å; R327-L331 WeakPolarHBondContact O-CB 3.17Å; R327-L331 PolarHBondContact O-N 3.42Å
328	R	92.8	Very high	90.7	Very high	52 Å²	52	73.6 Å²	73.6	20%	0.196	39%	0.393	C	S	.	.	H	α-helix	trans	-69.1	-43.2	173.9	-66.6	-177.8	-135	155.3	17	111.3	D325 P326 L331 M332 Y358 L361	D325-R328 HydrophobicContact CB-CG 4.38Å; D325-R328 PolarHBondContact O-N 3.3Å; D325-R328 IonicContact OD2-CZ 3.52Å; D325-R328 IonicContact OD2-NE 3.64Å; D325-R328 PolarHBondContact OD2-NE 2.9Å; D325-R328 IonicContact OD2-NH2 2.67Å; D325-R328 PolarHBondContact OD2-NH2 3.32Å; P326-R328 VanDerWaalsContact C-N 3.34Å; P326-R328 PolarHBondContact O-N 3.33Å; R328-L331 PolarHBondContact O-N 2.89Å; R328-M332 WeakPolarHBondContact O-CB 3.4Å; R328-M332 WeakPolarHBondContact O-CG 3.39Å; R328-M332 PolarHBondContact O-N 2.84Å; R328-Y358 HydrophobicContact CB-CD2 3.83Å; R328-Y358 HydrophobicContact CB-CE2 3.53Å; R328-Y358 HydrophobicContact CG-CE2 4.5Å; R328-L361 HydrophobicContact CG-CB 4.1Å
329	T	93.4	Very high	90.9	Very high	21 Å²	21	77 Å²	77	13%	0.129	40%	0.403	C	S	.	.	H	α-helix	trans	-63.2	-45.1	178.4	-55.7	0	0	0	0	111.6	D325 P326 M332 V333 R339 I342	D325-T329 PolarHBondContact O-N 3.28Å; D325-T329 PolarHBondContact O-OG1 2.94Å; P326-T329 PolarHBondContact O-N 2.96Å; T329-M332 PolarHBondContact O-N 2.91Å; T329-V333 VanDerWaalsContact O-CG2 3.32Å; T329-V333 WeakPolarHBondContact O-CG2 3.38Å; T329-V333 PolarHBondContact O-N 3.11Å; T329-R339 HydrophobicContact CG2-CG 4.37Å; T329-I342 HydrophobicContact CG2-CD1 4.09Å; T329-I342 HydrophobicContact CG2-CG2 4.44Å
330	E	94.6	Very high	91.2	Very high	104 Å²	104	79.5 Å²	79.5	49%	0.486	41%	0.408	S	S	.	.	H	α-helix	trans	-64.4	-41.7	175.9	-73.9	163.8	-175.8	0	0	112.3	P326 M332 V333 S334	P326-E330 WeakPolarHBondContact O-CB 3.2Å; P326-E330 WeakPolarHBondContact O-CG 3.45Å; P326-E330 PolarHBondContact O-N 2.92Å; E330-M332 VanDerWaalsContact C-N 3.34Å; E330-M332 PolarHBondContact O-N 2.81Å; E330-V333 PolarHBondContact O-N 3.1Å; E330-S334 PolarHBondContact O-N 2.94Å
331	L	94.4	Very high	91.8	Very high	43 Å²	43	76.3 Å²	76.3	23%	0.225	39%	0.389	C	S	.	.	H	α-helix	trans	-62.6	-40.3	174.9	-176.9	54.2	0	0	0	111.7	R327 R328 S334 M335 L361 L375	R327-L331 WeakPolarHBondContact O-CB 3.17Å; R327-L331 PolarHBondContact O-N 3.42Å; R328-L331 PolarHBondContact O-N 2.89Å; L331-S334 PolarHBondContact O-N 3.48Å; L331-S334 PolarHBondContact O-OG 3.04Å; L331-M335 HydrophobicContact CD1-CE 4.25Å; L331-M335 HydrophobicContact CG-CE 4.1Å; L331-M335 WeakPolarHBondContact O-CG 3.46Å; L331-M335 PolarHBondContact O-N 3.19Å; L331-L361 HydrophobicContact CB-CD1 4.36Å; L331-L361 HydrophobicContact CD2-CD1 3.95Å; L331-L361 HydrophobicContact CD2-CD2 3.54Å; L331-L361 HydrophobicContact CD2-CG 4.33Å; L331-L361 HydrophobicContact CG-CD1 4.06Å; L331-L361 HydrophobicContact CG-CD2 4.3Å; L331-L375 HydrophobicContact CD1-CD1 3.67Å; L331-L375 HydrophobicContact CD1-CD2 4.05Å; L331-L375 HydrophobicContact CD1-CG 4.4Å
332	M	96.2	Very high	92.4	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-69.7	-35.3	174.3	-74.7	-178.4	68.1	0	0	113.4	R328 T329 E330 S334 M335 G336 Y337 I342 V354 T357 Y358 L361	R328-M332 WeakPolarHBondContact O-CB 3.4Å; R328-M332 WeakPolarHBondContact O-CG 3.39Å; R328-M332 PolarHBondContact O-N 2.84Å; T329-M332 PolarHBondContact O-N 2.91Å; E330-M332 VanDerWaalsContact C-N 3.34Å; E330-M332 PolarHBondContact O-N 2.81Å; M332-S334 VanDerWaalsContact C-N 3.27Å; M332-S334 PolarHBondContact O-N 2.83Å; M332-M335 CarbonylContact O-C 3.59Å; M332-M335 WeakPolarHBondContact O-CA 3.41Å; M332-M335 WeakPolarHBondContact O-CB 3.44Å; M332-M335 PolarHBondContact O-N 2.93Å; M332-G336 PolarHBondContact O-N 2.82Å; M332-Y337 HydrophobicContact CB-CD2 4.06Å; M332-Y337 HydrophobicContact CE-CD2 3.71Å; M332-Y337 HydrophobicContact CE-CE2 4.08Å; M332-Y337 HydrophobicContact CE-CG 4.16Å; M332-Y337 HydrophobicContact CG-CD2 4.41Å; M332-Y337 PolarHBondContact O-N 2.98Å; M332-Y337 VanDerWaalsContact O-N 3.16Å; M332-I342 HydrophobicContact CB-CD1 3.62Å; M332-I342 HydrophobicContact CB-CG1 4.41Å; M332-I342 HydrophobicContact CE-CD1 4.3Å; M332-I342 HydrophobicContact CE-CG1 3.85Å; M332-I342 HydrophobicContact SD-CD1 4.49Å; M332-I342 HydrophobicContact SD-CG1 4.45Å; M332-V354 HydrophobicContact CE-CB 4.47Å; M332-V354 HydrophobicContact CE-CG1 3.63Å; M332-V354 WeakPolarHBondContact CE-O 3.5Å; M332-T357 HydrophobicContact CE-CG2 4.07Å; M332-T357 HydrophobicContact CG-CG2 3.95Å; M332-T357 HydrophobicContact SD-CG2 4.13Å; M332-Y358 HydrophobicContact SD-CD2 3.8Å; M332-Y358 HydrophobicContact SD-CG 4.22Å; M332-L361 HydrophobicContact CG-CD1 3.67Å; M332-L361 HydrophobicContact SD-CD1 4.38Å
333	V	96.3	Very high	93.1	Very high	58 Å²	58	73.8 Å²	73.8	35%	0.352	37%	0.369	S	S	.	.	H	α-helix	trans	-61.5	-38.9	170.4	170.3	0	0	0	0	110.6	T329 E330 M335 G336 Y337 R339 I342	T329-V333 VanDerWaalsContact O-CG2 3.32Å; T329-V333 WeakPolarHBondContact O-CG2 3.38Å; T329-V333 PolarHBondContact O-N 3.11Å; E330-V333 PolarHBondContact O-N 3.1Å; V333-M335 PolarHBondContact O-N 2.98Å; V333-G336 PolarHBondContact O-N 3.26Å; V333-Y337 WeakPolarHBondContact CA-O 3.27Å; V333-R339 HydrophobicContact CG2-CG 3.77Å; V333-I342 HydrophobicContact CG2-CD1 4.32Å
334	S	95.4	Very high	93.7	Very high	76 Å²	76	75.9 Å²	75.9	53%	0.531	38%	0.383	S	S	.	.	H	α-helix	trans	-67.9	-16.9	173	81.8	0	0	0	0	114.5	E330 L331 M332	E330-S334 PolarHBondContact O-N 2.94Å; L331-S334 PolarHBondContact O-N 3.48Å; L331-S334 PolarHBondContact O-OG 3.04Å; M332-S334 VanDerWaalsContact C-N 3.27Å; M332-S334 PolarHBondContact O-N 2.83Å
335	M	94.7	Very high	94.3	Very high	49 Å²	49	67.5 Å²	67.5	24%	0.241	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-7	171	-65.2	170.5	176	0	0	113	L74 L331 M332 V333 Y337 T357 L361 L375	L74-M335 HydrophobicContact CB-SD 4.2Å; L74-M335 WeakPolarHBondContact O-CE 3.14Å; L331-M335 HydrophobicContact CD1-CE 4.25Å; L331-M335 HydrophobicContact CG-CE 4.1Å; L331-M335 WeakPolarHBondContact O-CG 3.46Å; L331-M335 PolarHBondContact O-N 3.19Å; M332-M335 CarbonylContact O-C 3.59Å; M332-M335 WeakPolarHBondContact O-CA 3.41Å; M332-M335 WeakPolarHBondContact O-CB 3.44Å; M332-M335 PolarHBondContact O-N 2.93Å; V333-M335 PolarHBondContact O-N 2.98Å; M335-Y337 HydrophobicContact CB-CD2 4.27Å; M335-Y337 HydrophobicContact CB-CE2 4.45Å; M335-T357 HydrophobicContact SD-CG2 4.02Å; M335-L361 HydrophobicContact CE-CD2 4.34Å; M335-L375 HydrophobicContact CE-CD2 3.62Å
336	G	95.1	Very high	94.5	Very high	67 Å²	67	65.9 Å²	65.9	69%	0.691	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	7.8	177.2	0	0	0	0	0	116.1	M332 V333	M332-G336 PolarHBondContact O-N 2.82Å; V333-G336 PolarHBondContact O-N 3.26Å
337	Y	96.6	Very high	94.6	Very high	25 Å²	25	66.9 Å²	66.9	10%	0.098	34%	0.343	C	S	.	.			trans	-82.5	141.7	174.8	-66.6	-66.7	0	0	0	111.9	L74 M332 V333 M335 E353 V354 T357	L74-Y337 HydrophobicContact CD1-CE2 4.07Å; M332-Y337 HydrophobicContact CB-CD2 4.06Å; M332-Y337 HydrophobicContact CE-CD2 3.71Å; M332-Y337 HydrophobicContact CE-CE2 4.08Å; M332-Y337 HydrophobicContact CE-CG 4.16Å; M332-Y337 HydrophobicContact CG-CD2 4.41Å; M332-Y337 PolarHBondContact O-N 2.98Å; M332-Y337 VanDerWaalsContact O-N 3.16Å; V333-Y337 WeakPolarHBondContact CA-O 3.27Å; M335-Y337 HydrophobicContact CB-CD2 4.27Å; M335-Y337 HydrophobicContact CB-CE2 4.45Å; Y337-E353 WeakPolarHBondContact CE1-OE1 3.37Å; Y337-E353 PolarHBondContact OH-OE1 2.97Å; Y337-V354 HydrophobicContact CD1-CG1 4.43Å; Y337-V354 HydrophobicContact CD1-CG2 4Å; Y337-V354 HydrophobicContact CE1-CG2 3.82Å; Y337-T357 HydrophobicContact CE2-CG2 4.31Å
338	T	96.8	Very high	94.6	Very high	63 Å²	63	59.4 Å²	59.4	39%	0.387	33%	0.329	S	S	.	.			trans	-74.9	157.9	170.7	65.9	0	0	0	0	111.5	E340 E341 I342	T338-E340 WeakPolarHBondContact CB-OE2 3.45Å; T338-E340 PolarHBondContact O-N 2.91Å; T338-E341 WeakPolarHBondContact CB-OE2 3.44Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.37Å; T338-E341 PolarHBondContact N-OE2 2.94Å; T338-E341 WeakPolarHBondContact OG1-CB 3.38Å; T338-E341 WeakPolarHBondContact OG1-CG 3.47Å; T338-E341 PolarHBondContact OG1-N 2.68Å; T338-E341 VanDerWaalsContact OG1-N 3.11Å; T338-E341 PolarHBondContact OG1-OE2 2.73Å; T338-I342 WeakPolarHBondContact O-CD1 3.32Å; T338-I342 VanDerWaalsContact O-CG1 3.23Å; T338-I342 WeakPolarHBondContact O-CG1 3.49Å; T338-I342 PolarHBondContact O-N 3.2Å
339	R	94.8	Very high	94.6	Very high	126 Å²	126	61.1 Å²	61.1	48%	0.475	34%	0.339	S	S	.	.	H	α-helix	trans	-68.4	-29.7	177.7	-69.2	-177.8	179.4	-97.5	1.1	111	T329 V333 Q343	T329-R339 HydrophobicContact CG2-CG 4.37Å; V333-R339 HydrophobicContact CG2-CG 3.77Å; R339-Q343 WeakPolarHBondContact O-CB 3.27Å; R339-Q343 PolarHBondContact O-N 3.1Å
340	E	94.9	Very high	94.6	Very high	130 Å²	130	66.4 Å²	66.4	61%	0.607	36%	0.357	S	S	*	.	H	α-helix	trans	-67.9	-52.6	-179.5	-63.8	60.8	-136.3	0	0	109.9	T338 I342 Q343 D344	T338-E340 WeakPolarHBondContact CB-OE2 3.45Å; T338-E340 PolarHBondContact O-N 2.91Å; E340-I342 VanDerWaalsContact C-N 3.32Å; E340-I342 PolarHBondContact O-N 3.44Å; E340-Q343 PolarHBondContact O-N 3.25Å; E340-D344 WeakPolarHBondContact O-CB 3.4Å; E340-D344 PolarHBondContact O-N 2.93Å
341	E	95.9	Very high	94.7	Very high	97 Å²	97	62.2 Å²	62.2	45%	0.453	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-38.7	175.2	-71.8	163	130.2	0	0	113	T338 S345	T338-E341 WeakPolarHBondContact CB-OE2 3.44Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.37Å; T338-E341 PolarHBondContact N-OE2 2.94Å; T338-E341 WeakPolarHBondContact OG1-CB 3.38Å; T338-E341 WeakPolarHBondContact OG1-CG 3.47Å; T338-E341 PolarHBondContact OG1-N 2.68Å; T338-E341 VanDerWaalsContact OG1-N 3.11Å; T338-E341 PolarHBondContact OG1-OE2 2.73Å; E341-S345 VanDerWaalsContact O-CB 3.3Å; E341-S345 WeakPolarHBondContact O-CB 3.38Å; E341-S345 PolarHBondContact O-N 3.02Å
342	I	95.4	Very high	94.8	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-52.2	175.1	-66.4	164.8	0	0	0	109.7	T329 M332 V333 T338 E340 S345 L346 V354 Y358	T329-I342 HydrophobicContact CG2-CD1 4.09Å; T329-I342 HydrophobicContact CG2-CG2 4.44Å; M332-I342 HydrophobicContact CB-CD1 3.62Å; M332-I342 HydrophobicContact CB-CG1 4.41Å; M332-I342 HydrophobicContact CE-CD1 4.3Å; M332-I342 HydrophobicContact CE-CG1 3.85Å; M332-I342 HydrophobicContact SD-CD1 4.49Å; M332-I342 HydrophobicContact SD-CG1 4.45Å; V333-I342 HydrophobicContact CG2-CD1 4.32Å; T338-I342 WeakPolarHBondContact O-CD1 3.32Å; T338-I342 VanDerWaalsContact O-CG1 3.23Å; T338-I342 WeakPolarHBondContact O-CG1 3.49Å; T338-I342 PolarHBondContact O-N 3.2Å; E340-I342 VanDerWaalsContact C-N 3.32Å; E340-I342 PolarHBondContact O-N 3.44Å; I342-S345 PolarHBondContact O-N 3.19Å; I342-L346 HydrophobicContact CG2-CD1 3.72Å; I342-L346 WeakPolarHBondContact O-CB 3.42Å; I342-L346 VanDerWaalsContact O-CG 3.23Å; I342-L346 WeakPolarHBondContact O-CG 3.28Å; I342-L346 PolarHBondContact O-N 2.68Å; I342-L346 VanDerWaalsContact O-N 3.09Å; I342-V354 HydrophobicContact CB-CG1 4.4Å; I342-V354 HydrophobicContact CG1-CG1 3.94Å; I342-Y358 HydrophobicContact CG2-CD2 4.38Å
343	Q	93.9	Very high	94.9	Very high	99 Å²	99	66.2 Å²	66.2	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-46.6	-179.1	-174.8	64.3	18.8	0	0	111.7	R339 E340 S345 L346 V347	R339-Q343 WeakPolarHBondContact O-CB 3.27Å; R339-Q343 PolarHBondContact O-N 3.1Å; E340-Q343 PolarHBondContact O-N 3.25Å; Q343-S345 PolarHBondContact O-N 3.36Å; Q343-L346 PolarHBondContact O-N 3.36Å; Q343-V347 HydrophobicContact CG-CG2 4.36Å; Q343-V347 VanDerWaalsContact NE2-CG2 3.29Å; Q343-V347 WeakPolarHBondContact O-CB 3.34Å; Q343-V347 VanDerWaalsContact O-CG2 3.3Å; Q343-V347 WeakPolarHBondContact O-CG2 3.39Å; Q343-V347 PolarHBondContact O-N 3.06Å
344	D	94.4	Very high	94.9	Very high	91 Å²	91	63.9 Å²	63.9	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-38	-178.9	-113.7	41.3	0	0	0	113.2	E340 G348 R350	E340-D344 WeakPolarHBondContact O-CB 3.4Å; E340-D344 PolarHBondContact O-N 2.93Å; D344-G348 PolarHBondContact O-N 2.77Å; D344-R350 IonicContact OD2-CZ 2.8Å; D344-R350 IonicContact OD2-NH2 2.72Å; D344-R350 PolarHBondContact OD2-NH2 3.04Å
345	S	95.9	Very high	94.9	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-74.4	-39.9	179.3	-170.6	0	0	0	0	112.4	E341 I342 Q343 Q349 R350 N352	E341-S345 VanDerWaalsContact O-CB 3.3Å; E341-S345 WeakPolarHBondContact O-CB 3.38Å; E341-S345 PolarHBondContact O-N 3.02Å; I342-S345 PolarHBondContact O-N 3.19Å; Q343-S345 PolarHBondContact O-N 3.36Å; S345-Q349 WeakPolarHBondContact O-CA 3.43Å; S345-Q349 PolarHBondContact O-N 3.14Å; S345-R350 PolarHBondContact O-N 3.04Å; S345-R350 VanDerWaalsContact O-N 3.08Å; S345-N352 PolarHBondContact OG-OD1 2.96Å
346	L	93.1	Very high	95	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-71.3	-45.8	178.7	-67.1	174.8	0	0	0	112.2	Y323 I342 Q343 Q349 M355 Y358	Y323-L346 HydrophobicContact CD1-CB 4.34Å; Y323-L346 HydrophobicContact CD1-CD1 4.43Å; Y323-L346 HydrophobicContact CD1-CD2 3.91Å; Y323-L346 HydrophobicContact CD1-CG 4.45Å; Y323-L346 HydrophobicContact CD2-CB 4.12Å; Y323-L346 HydrophobicContact CE1-CD2 4.12Å; Y323-L346 WeakPolarHBondContact CE2-O 3.41Å; Y323-L346 HydrophobicContact CG-CB 3.97Å; Y323-L346 HydrophobicContact CG-CD1 4.4Å; Y323-L346 HydrophobicContact CG-CD2 4.4Å; Y323-L346 HydrophobicContact CG-CG 4.49Å; I342-L346 HydrophobicContact CG2-CD1 3.72Å; I342-L346 WeakPolarHBondContact O-CB 3.42Å; I342-L346 VanDerWaalsContact O-CG 3.23Å; I342-L346 WeakPolarHBondContact O-CG 3.28Å; I342-L346 PolarHBondContact O-N 2.68Å; I342-L346 VanDerWaalsContact O-N 3.09Å; Q343-L346 PolarHBondContact O-N 3.36Å; L346-Q349 WeakPolarHBondContact O-CG 3.46Å; L346-Q349 PolarHBondContact O-N 2.93Å; L346-M355 HydrophobicContact CD2-CB 4.38Å; L346-M355 HydrophobicContact CD2-CG 4.09Å; L346-Y358 HydrophobicContact CD1-CD1 3.93Å; L346-Y358 HydrophobicContact CD1-CD2 3.74Å; L346-Y358 HydrophobicContact CD1-CE1 4.04Å; L346-Y358 HydrophobicContact CD1-CE2 3.84Å; L346-Y358 HydrophobicContact CD1-CG 3.78Å; L346-Y358 HydrophobicContact CD2-CD1 3.71Å; L346-Y358 HydrophobicContact CD2-CE1 4.38Å; L346-Y358 HydrophobicContact CD2-CG 3.87Å; L346-Y358 HydrophobicContact CG-CG 4.42Å
347	V	91.2	Very high	95.1	Very high	95 Å²	95	54.8 Å²	54.8	58%	0.576	27%	0.272	S	S	*	.	H	α-helix	trans	-64.9	-44.8	175.4	172.8	0	0	0	0	110.8	Q343 Q349	Q343-V347 HydrophobicContact CG-CG2 4.36Å; Q343-V347 VanDerWaalsContact NE2-CG2 3.29Å; Q343-V347 WeakPolarHBondContact O-CB 3.34Å; Q343-V347 VanDerWaalsContact O-CG2 3.3Å; Q343-V347 WeakPolarHBondContact O-CG2 3.39Å; Q343-V347 PolarHBondContact O-N 3.06Å; V347-Q349 PolarHBondContact O-N 3.45Å
348	G	91.2	Very high	95	Very high	46 Å²	46	53.6 Å²	53.6	47%	0.474	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-1.9	177.1	0	0	0	0	0	115	D344 R350	D344-G348 PolarHBondContact O-N 2.77Å; G348-R350 VanDerWaalsContact C-N 3.25Å; G348-R350 PolarHBondContact O-N 2.76Å; G348-R350 VanDerWaalsContact O-N 3.17Å
349	Q	92.5	Very high	94.9	Very high	87 Å²	87	51.5 Å²	51.5	41%	0.407	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	39.6	52.5	-175.2	-59.7	-172.2	31	0	0	112.6	S345 L346 V347 Y351 M355	S345-Q349 WeakPolarHBondContact O-CA 3.43Å; S345-Q349 PolarHBondContact O-N 3.14Å; L346-Q349 WeakPolarHBondContact O-CG 3.46Å; L346-Q349 PolarHBondContact O-N 2.93Å; V347-Q349 PolarHBondContact O-N 3.45Å; Q349-Y351 HydrophobicContact CB-CE2 4.37Å; Q349-Y351 VanDerWaalsContact O-CD2 3.24Å; Q349-Y351 WeakPolarHBondContact O-CD2 3.39Å; Q349-Y351 PolarHBondContact O-N 3.17Å; Q349-M355 VanDerWaalsContact C-SD 3.58Å; Q349-M355 HydrophobicContact CB-CE 4.22Å; Q349-M355 HydrophobicContact CB-SD 4.45Å; Q349-M355 HydrophobicContact CG-CE 4.44Å
350	R	93.9	Very high	94.9	Very high	133 Å²	133	45.6 Å²	45.6	50%	0.502	23%	0.232	S	C	.	.			trans	-73.9	-27.7	-166.8	-59.9	-168.4	-169.4	171.1	11.6	112.9	K105 D344 S345 G348 N352	K105-R350 PolarHBondContact NZ-O 3.39Å; D344-R350 IonicContact OD2-CZ 2.8Å; D344-R350 IonicContact OD2-NH2 2.72Å; D344-R350 PolarHBondContact OD2-NH2 3.04Å; S345-R350 PolarHBondContact O-N 3.04Å; S345-R350 VanDerWaalsContact O-N 3.08Å; G348-R350 VanDerWaalsContact C-N 3.25Å; G348-R350 PolarHBondContact O-N 2.76Å; G348-R350 VanDerWaalsContact O-N 3.17Å; R350-N352 VanDerWaalsContact C-N 3.34Å
351	Y	96.5	Very high	94.9	Very high	16 Å²	16	41.1 Å²	41.1	6%	0.063	21%	0.212	C	C	.	.			trans	55.9	44.6	-170.9	-66.8	-101.7	0	0	0	112.6	K105 L115 E117 V118 Q349 M355	K105-Y351 HydrophobicContact CB-CD2 4.38Å; K105-Y351 HydrophobicContact CB-CE2 3.83Å; K105-Y351 HydrophobicContact CD-CD2 3.57Å; K105-Y351 HydrophobicContact CD-CE2 3.88Å; K105-Y351 HydrophobicContact CD-CG 4.3Å; K105-Y351 HydrophobicContact CG-CD2 3.62Å; K105-Y351 HydrophobicContact CG-CE2 3.56Å; K105-Y351 HydrophobicContact CG-CG 4.17Å; K105-Y351 PolarHBondContact O-OH 2.91Å; L115-Y351 HydrophobicContact CB-CD1 4.33Å; L115-Y351 HydrophobicContact CB-CE1 4.03Å; L115-Y351 HydrophobicContact CD2-CD1 3.8Å; L115-Y351 HydrophobicContact CD2-CE1 3.97Å; L115-Y351 HydrophobicContact CD2-CG 4.32Å; L115-Y351 HydrophobicContact CG-CD1 3.86Å; L115-Y351 HydrophobicContact CG-CE1 4.05Å; L115-Y351 WeakPolarHBondContact O-CE1 3.29Å; E117-Y351 WeakPolarHBondContact CA-O 3.25Å; E117-Y351 VanDerWaalsContact CG-O 3.31Å; E117-Y351 WeakPolarHBondContact CG-O 3.44Å; V118-Y351 PolarHBondContact N-O 2.87Å; Q349-Y351 HydrophobicContact CB-CE2 4.37Å; Q349-Y351 VanDerWaalsContact O-CD2 3.24Å; Q349-Y351 WeakPolarHBondContact O-CD2 3.39Å; Q349-Y351 PolarHBondContact O-N 3.17Å; Y351-M355 HydrophobicContact CD1-CE 4.43Å; Y351-M355 HydrophobicContact CD2-CE 4Å; Y351-M355 HydrophobicContact CD2-SD 3.89Å; Y351-M355 HydrophobicContact CE1-CE 4.16Å; Y351-M355 HydrophobicContact CE2-CE 3.69Å; Y351-M355 HydrophobicContact CE2-SD 4.21Å; Y351-M355 HydrophobicContact CG-CE 4.36Å; Y351-M355 HydrophobicContact CG-SD 4.05Å; Y351-M355 PolarHBondContact N-SD 3.4Å
352	N	96.6	Very high	94.5	Very high	55 Å²	55	38 Å²	38	29%	0.294	21%	0.205	S	C	.	.	S	Bend	trans	-98.4	178.5	166.7	72.6	-6.2	0	0	0	110.6	S345 R350 V354 M355 A356	S345-N352 PolarHBondContact OG-OD1 2.96Å; R350-N352 VanDerWaalsContact C-N 3.34Å; N352-V354 PolarHBondContact O-N 3.43Å; N352-V354 WeakPolarHBondContact OD1-CB 3.49Å; N352-V354 PolarHBondContact OD1-N 3.08Å; N352-M355 PolarHBondContact O-N 3.5Å; N352-M355 PolarHBondContact OD1-N 2.87Å; N352-A356 WeakPolarHBondContact O-CB 3.26Å; N352-A356 PolarHBondContact O-N 2.93Å
353	E	96.8	Very high	93.9	Very high	71 Å²	71	41.5 Å²	41.5	33%	0.332	22%	0.219	S	C	.	.	H	α-helix	trans	-50.2	-33.1	180	52.8	156.7	-114.5	0	0	115.6	N52 E117 Y337 T357	N52-E353 WeakPolarHBondContact ND2-CB 3.16Å; N52-E353 PolarHBondContact ND2-OE2 3.32Å; E117-E353 VanDerWaalsContact CD-N 3.28Å; E117-E353 PolarHBondContact OE1-N 2.98Å; E117-E353 VanDerWaalsContact OE2-CA 3.3Å; E117-E353 WeakPolarHBondContact OE2-CA 3.44Å; Y337-E353 WeakPolarHBondContact CE1-OE1 3.37Å; Y337-E353 PolarHBondContact OH-OE1 2.97Å; E353-T357 VanDerWaalsContact O-CB 3.25Å; E353-T357 WeakPolarHBondContact O-CB 3.27Å; E353-T357 PolarHBondContact O-N 3.19Å; E353-T357 PolarHBondContact O-OG1 2.84Å
354	V	97.1	Very high	92.7	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-52.4	177.9	-170.2	0	0	0	0	110.1	M332 Y337 I342 N352 A356 T357 Y358	M332-V354 HydrophobicContact CE-CB 4.47Å; M332-V354 HydrophobicContact CE-CG1 3.63Å; M332-V354 WeakPolarHBondContact CE-O 3.5Å; Y337-V354 HydrophobicContact CD1-CG1 4.43Å; Y337-V354 HydrophobicContact CD1-CG2 4Å; Y337-V354 HydrophobicContact CE1-CG2 3.82Å; I342-V354 HydrophobicContact CB-CG1 4.4Å; I342-V354 HydrophobicContact CG1-CG1 3.94Å; N352-V354 PolarHBondContact O-N 3.43Å; N352-V354 WeakPolarHBondContact OD1-CB 3.49Å; N352-V354 PolarHBondContact OD1-N 3.08Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-A356 PolarHBondContact O-N 3.16Å; V354-T357 PolarHBondContact O-N 3.49Å; V354-Y358 PolarHBondContact O-N 3.34Å; V354-Y358 VanDerWaalsContact O-N 3.08Å
355	M	95.9	Very high	90.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-39.4	177.1	177.5	169.5	-173.6	0	0	111.5	L346 Q349 Y351 N352 Y358 L359	L346-M355 HydrophobicContact CD2-CB 4.38Å; L346-M355 HydrophobicContact CD2-CG 4.09Å; Q349-M355 VanDerWaalsContact C-SD 3.58Å; Q349-M355 HydrophobicContact CB-CE 4.22Å; Q349-M355 HydrophobicContact CB-SD 4.45Å; Q349-M355 HydrophobicContact CG-CE 4.44Å; Y351-M355 HydrophobicContact CD1-CE 4.43Å; Y351-M355 HydrophobicContact CD2-CE 4Å; Y351-M355 HydrophobicContact CD2-SD 3.89Å; Y351-M355 HydrophobicContact CE1-CE 4.16Å; Y351-M355 HydrophobicContact CE2-CE 3.69Å; Y351-M355 HydrophobicContact CE2-SD 4.21Å; Y351-M355 HydrophobicContact CG-CE 4.36Å; Y351-M355 HydrophobicContact CG-SD 4.05Å; Y351-M355 PolarHBondContact N-SD 3.4Å; N352-M355 PolarHBondContact O-N 3.5Å; N352-M355 PolarHBondContact OD1-N 2.87Å; M355-Y358 PolarHBondContact O-N 3.4Å; M355-L359 HydrophobicContact CE-CD1 4.13Å; M355-L359 HydrophobicContact CG-CD1 3.96Å; M355-L359 HydrophobicContact CG-CG 4.37Å; M355-L359 WeakPolarHBondContact O-CB 3.33Å; M355-L359 VanDerWaalsContact O-CG 3.26Å; M355-L359 WeakPolarHBondContact O-CG 3.48Å; M355-L359 PolarHBondContact O-N 2.68Å
356	A	97.1	Very high	88.2	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-44.8	177.6	0	0	0	0	0	111.7	Y53 F116 E117 N352 V354 L359 L360	Y53-A356 WeakPolarHBondContact OH-CB 3.32Å; F116-A356 HydrophobicContact CB-CB 4.36Å; F116-A356 WeakPolarHBondContact O-CB 3.17Å; E117-A356 HydrophobicContact CB-CB 3.72Å; E117-A356 HydrophobicContact CG-CB 3.89Å; E117-A356 VanDerWaalsContact OE2-CB 3.22Å; E117-A356 WeakPolarHBondContact OE2-CB 3.4Å; N352-A356 WeakPolarHBondContact O-CB 3.26Å; N352-A356 PolarHBondContact O-N 2.93Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-A356 PolarHBondContact O-N 3.16Å; A356-L359 PolarHBondContact O-N 3.08Å; A356-L360 VanDerWaalsContact O-CB 3.29Å; A356-L360 WeakPolarHBondContact O-CB 3.35Å; A356-L360 WeakPolarHBondContact O-CG 3.4Å; A356-L360 PolarHBondContact O-N 3.5Å
357	T	96.7	Very high	85.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-47.3	175.4	-62.5	0	0	0	0	111.3	H72 T75 M332 M335 Y337 E353 V354 L359 L360 L361	H72-T357 PolarHBondContact CE1-OG1 2.67Å; T75-T357 HydrophobicContact CG2-CG2 4.09Å; M332-T357 HydrophobicContact CE-CG2 4.07Å; M332-T357 HydrophobicContact CG-CG2 3.95Å; M332-T357 HydrophobicContact SD-CG2 4.13Å; M335-T357 HydrophobicContact SD-CG2 4.02Å; Y337-T357 HydrophobicContact CE2-CG2 4.31Å; E353-T357 VanDerWaalsContact O-CB 3.25Å; E353-T357 WeakPolarHBondContact O-CB 3.27Å; E353-T357 PolarHBondContact O-N 3.19Å; E353-T357 PolarHBondContact O-OG1 2.84Å; V354-T357 PolarHBondContact O-N 3.49Å; T357-L359 PolarHBondContact O-N 3.4Å; T357-L360 PolarHBondContact O-N 3.44Å; T357-L361 HydrophobicContact CG2-CD1 4.24Å; T357-L361 HydrophobicContact CG2-CG 4.49Å; T357-L361 WeakPolarHBondContact O-CG 3.47Å; T357-L361 PolarHBondContact O-N 2.62Å
358	Y	95.4	Very high	83.3	Confident	1 Å²	1	57 Å²	57	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-44.9	177.4	-170.6	-89.7	0	0	0	112.6	Y323 K324 D325 R328 M332 I342 L346 V354 M355 G362	Y323-Y358 WeakPolarHBondContact CA-OH 3.44Å; Y323-Y358 HydrophobicContact CD1-CD1 4.48Å; Y323-Y358 HydrophobicContact CD1-CE1 4.06Å; K324-Y358 PolarHBondContact N-OH 2.86Å; D325-Y358 WeakPolarHBondContact CB-OH 3.27Å; D325-Y358 PolarHBondContact N-OH 3.25Å; R328-Y358 HydrophobicContact CB-CD2 3.83Å; R328-Y358 HydrophobicContact CB-CE2 3.53Å; R328-Y358 HydrophobicContact CG-CE2 4.5Å; M332-Y358 HydrophobicContact SD-CD2 3.8Å; M332-Y358 HydrophobicContact SD-CG 4.22Å; I342-Y358 HydrophobicContact CG2-CD2 4.38Å; L346-Y358 HydrophobicContact CD1-CD1 3.93Å; L346-Y358 HydrophobicContact CD1-CD2 3.74Å; L346-Y358 HydrophobicContact CD1-CE1 4.04Å; L346-Y358 HydrophobicContact CD1-CE2 3.84Å; L346-Y358 HydrophobicContact CD1-CG 3.78Å; L346-Y358 HydrophobicContact CD2-CD1 3.71Å; L346-Y358 HydrophobicContact CD2-CE1 4.38Å; L346-Y358 HydrophobicContact CD2-CG 3.87Å; L346-Y358 HydrophobicContact CG-CG 4.42Å; V354-Y358 PolarHBondContact O-N 3.34Å; V354-Y358 VanDerWaalsContact O-N 3.08Å; M355-Y358 PolarHBondContact O-N 3.4Å; Y358-G362 PolarHBondContact O-N 3.29Å
359	L	94.4	Very high	80.6	Confident	19 Å²	19	64.7 Å²	64.7	10%	0.099	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-41.3	177.7	-70.8	173.8	0	0	0	111.9	F116 M355 A356 T357 G362 Y363	F116-L359 HydrophobicContact CD1-CB 3.84Å; F116-L359 HydrophobicContact CD1-CD1 4.28Å; F116-L359 HydrophobicContact CE1-CB 4.29Å; M355-L359 HydrophobicContact CE-CD1 4.13Å; M355-L359 HydrophobicContact CG-CD1 3.96Å; M355-L359 HydrophobicContact CG-CG 4.37Å; M355-L359 WeakPolarHBondContact O-CB 3.33Å; M355-L359 VanDerWaalsContact O-CG 3.26Å; M355-L359 WeakPolarHBondContact O-CG 3.48Å; M355-L359 PolarHBondContact O-N 2.68Å; A356-L359 PolarHBondContact O-N 3.08Å; T357-L359 PolarHBondContact O-N 3.4Å; L359-G362 CarbonylContact O-C 3.56Å; L359-G362 PolarHBondContact O-N 2.97Å; L359-Y363 WeakPolarHBondContact O-CB 3.46Å; L359-Y363 PolarHBondContact O-N 3.3Å
360	L	94.9	Very high	77.6	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-71.5	-30.2	179.9	-73	170.8	0	0	0	113.2	Y53 H72 T75 K77 V79 F116 A356 T357 Y363	Y53-L360 HydrophobicContact CE1-CD1 4.19Å; H72-L360 HydrophobicContact CB-CD1 3.93Å; T75-L360 HydrophobicContact CG2-CB 4.37Å; K77-L360 HydrophobicContact CB-CD2 4.12Å; K77-L360 WeakPolarHBondContact CE-O 3.14Å; K77-L360 HydrophobicContact CG-CB 4.37Å; V79-L360 HydrophobicContact CG1-CD1 4.34Å; V79-L360 HydrophobicContact CG1-CD2 3.71Å; F116-L360 HydrophobicContact CD1-CD2 4.21Å; F116-L360 HydrophobicContact CD1-CG 4.38Å; F116-L360 HydrophobicContact CD2-CD2 3.7Å; F116-L360 HydrophobicContact CD2-CG 4.39Å; F116-L360 HydrophobicContact CE1-CD2 4.14Å; F116-L360 HydrophobicContact CE2-CD2 3.6Å; F116-L360 HydrophobicContact CG-CD2 4Å; F116-L360 HydrophobicContact CG-CG 4.24Å; F116-L360 HydrophobicContact CZ-CD2 3.85Å; A356-L360 VanDerWaalsContact O-CB 3.29Å; A356-L360 WeakPolarHBondContact O-CB 3.35Å; A356-L360 WeakPolarHBondContact O-CG 3.4Å; A356-L360 PolarHBondContact O-N 3.5Å; T357-L360 PolarHBondContact O-N 3.44Å; L360-Y363 PolarHBondContact O-N 3.29Å
361	L	93.2	Very high	74.6	Confident	37 Å²	37	64.6 Å²	64.6	19%	0.194	35%	0.351	C	S	.	.	H	α-helix	trans	-66.8	-39.7	169.4	-73.9	176.2	0	0	0	111.7	T75 R328 L331 M332 M335 T357 Y363	T75-L361 HydrophobicContact CG2-CD2 3.62Å; T75-L361 HydrophobicContact CG2-CG 3.81Å; R328-L361 HydrophobicContact CG-CB 4.1Å; L331-L361 HydrophobicContact CB-CD1 4.36Å; L331-L361 HydrophobicContact CD2-CD1 3.95Å; L331-L361 HydrophobicContact CD2-CD2 3.54Å; L331-L361 HydrophobicContact CD2-CG 4.33Å; L331-L361 HydrophobicContact CG-CD1 4.06Å; L331-L361 HydrophobicContact CG-CD2 4.3Å; M332-L361 HydrophobicContact CG-CD1 3.67Å; M332-L361 HydrophobicContact SD-CD1 4.38Å; M335-L361 HydrophobicContact CE-CD2 4.34Å; T357-L361 HydrophobicContact CG2-CD1 4.24Å; T357-L361 HydrophobicContact CG2-CG 4.49Å; T357-L361 WeakPolarHBondContact O-CG 3.47Å; T357-L361 PolarHBondContact O-N 2.62Å; L361-Y363 VanDerWaalsContact C-N 3.26Å; L361-Y363 PolarHBondContact O-N 2.83Å
362	G	87.3	Confident	71.6	Confident	31 Å²	31	69.9 Å²	69.9	32%	0.32	39%	0.385	S	S	.	.	H	α-helix	trans	-74.8	-11.9	172.8	0	0	0	0	0	114.4	Y358 L359 K364	Y358-G362 PolarHBondContact O-N 3.29Å; L359-G362 CarbonylContact O-C 3.56Å; L359-G362 PolarHBondContact O-N 2.97Å; G362-K364 PolarHBondContact O-N 3.27Å
363	Y	83.3	Confident	68.9	Low	75 Å²	75	73 Å²	73	29%	0.294	40%	0.4	S	S	.	.	S	Bend	trans	-79.5	108.2	-174.3	-161.8	-94.7	0	0	0	111.3	K77 F116 E130 L359 L360 L361 S365	K77-Y363 WeakPolarHBondContact CE-O 3.48Å; K77-Y363 PolarHBondContact NZ-O 2.92Å; F116-Y363 AromaticContact CE1-CD2 3.97Å; F116-Y363 HydrophobicContact CE1-CD2 3.97Å; F116-Y363 HydrophobicContact CE1-CG 4.43Å; F116-Y363 AromaticContact CZ-CD2 3.67Å; F116-Y363 HydrophobicContact CZ-CD2 3.67Å; F116-Y363 HydrophobicContact CZ-CE2 4.06Å; F116-Y363 AromaticContact CZ-CG 3.97Å; F116-Y363 HydrophobicContact CZ-CG 3.97Å; E130-Y363 HydrophobicContact CG-CE1 4.36Å; E130-Y363 HydrophobicContact CG-CE2 4.13Å; E130-Y363 VanDerWaalsContact CG-OH 3.28Å; E130-Y363 WeakPolarHBondContact CG-OH 3.4Å; E130-Y363 PolarHBondContact OE1-OH 3.28Å; E130-Y363 PolarHBondContact OE2-OH 3.41Å; L359-Y363 WeakPolarHBondContact O-CB 3.46Å; L359-Y363 PolarHBondContact O-N 3.3Å; L360-Y363 PolarHBondContact O-N 3.29Å; L361-Y363 VanDerWaalsContact C-N 3.26Å; L361-Y363 PolarHBondContact O-N 2.83Å; Y363-S365 PolarHBondContact O-N 2.93Å
364	K	68.5	Low	66.1	Low	190 Å²	190	75.8 Å²	75.8	83%	0.826	42%	0.423	S	S	*	.			trans	-53.8	125.4	-179.3	-68.5	-165.2	177.6	-169.3	0	111	G362	G362-K364 PolarHBondContact O-N 3.27Å
365	S	50.4	Low	63.6	Low	63 Å²	63	79 Å²	79	44%	0.441	44%	0.439	S	S	.	.			trans	-72.2	132.9	167.5	-102.7	0	0	0	0	109.3	K77 Y363 E367	K77-S365 PolarHBondContact NZ-OG 3.03Å; Y363-S365 PolarHBondContact O-N 2.93Å; S365-E367 WeakPolarHBondContact CB-O 3.21Å; S365-E367 PolarHBondContact OG-O 3.19Å
366	S	46.1	Very low	60.6	Low	78 Å²	78	88.5 Å²	88.5	55%	0.545	48%	0.48	S	S	.	.	S	Bend	trans	-77	-13.9	165.6	58.5	0	0	0	0	112.5	A185	A185-S366 WeakPolarHBondContact CB-OG 3.06Å
367	E	40.5	Very low	57.7	Low	136 Å²	136	94.1 Å²	94.1	64%	0.636	52%	0.517	S	S	*	.	S	Bend	trans	-140.1	143.6	177.2	-60.9	-174.2	152.5	0	0	110	S365	S365-E367 WeakPolarHBondContact CB-O 3.21Å; S365-E367 PolarHBondContact OG-O 3.19Å
368	L	41	Very low	54.7	Low	147 Å²	147	105.2 Å²	105.2	77%	0.77	56%	0.559	S	S	*	*			trans	76.7	60.4	-177.3	-55.3	161.7	0	0	0	116.7
369	E	35	Very low	51.9	Low	208 Å²	208	111.2 Å²	111.2	97%	0.972	60%	0.598	S	S	*	*			trans	-92.2	108.5	133.2	-77	-173.6	167.4	0	0	106.7
370	G	29.7	Very low	48.9	Very low	71 Å²	71	115.9 Å²	115.9	73%	0.732	63%	0.632	S	S	*	*	S	Bend	trans	-179.5	-43.7	-174.7	0	0	0	0	0	114.5
371	D	29.7	Very low	46.1	Very low	148 Å²	148	120.3 Å²	120.3	79%	0.791	67%	0.669	S	S	*	*	S	Bend	trans	-119.2	147.9	176.6	-81.6	-57.9	0	0	0	111.9
372	T	34.8	Very low	43.1	Very low	126 Å²	126	126.4 Å²	126.4	77%	0.773	70%	0.702	S	S	*	*			trans	-67.4	140.7	-179.1	-49.1	0	0	0	0	111.5	T374	T372-T374 PolarHBondContact O-N 3.32Å
373	I	39	Very low	40.5	Very low	120 Å²	120	132.4 Å²	132.4	62%	0.615	73%	0.726	S	S	*	*			trans	-66.7	95.8	177.9	-55.8	175.5	0	0	0	109.7	L375	I373-L375 HydrophobicContact CG2-CD2 3.88Å; I373-L375 HydrophobicContact CG2-CG 4.31Å; I373-L375 PolarHBondContact O-N 3.26Å
374	T	37.9	Very low	38.2	Very low	131 Å²	131	136 Å²	136	80%	0.804	76%	0.756	S	S	*	*			trans	-74.9	90.3	170.9	54.4	0	0	0	0	109.9	T372	T372-T374 PolarHBondContact O-N 3.32Å
375	L	44	Very low	36.4	Very low	76 Å²	76	134.5 Å²	134.5	40%	0.398	76%	0.757	S	S	.	*	P	Polyproline II helix	trans	-59.7	136.5	172.5	-60.8	169.8	0	0	0	110.4	L331 M335 I373	L331-L375 HydrophobicContact CD1-CD1 3.67Å; L331-L375 HydrophobicContact CD1-CD2 4.05Å; L331-L375 HydrophobicContact CD1-CG 4.4Å; M335-L375 HydrophobicContact CE-CD2 3.62Å; I373-L375 HydrophobicContact CG2-CD2 3.88Å; I373-L375 HydrophobicContact CG2-CG 4.31Å; I373-L375 PolarHBondContact O-N 3.26Å
376	K	34.3	Very low	35.5	Very low	200 Å²	200	137.7 Å²	137.7	87%	0.87	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-100.5	117.6	167.8	-84.5	-167.7	171.8	-173	0	109.8
377	P	35.3	Very low	34.8	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-62.6	152.7	169.8	-22.3	34.2	0	0	0	112.3
378	R	34.7	Very low	34.4	Very low	233 Å²	233	137.2 Å²	137.2	88%	0.879	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.2	134.9	169.3	-172.5	177.8	-174.1	164.8	1.2	109.1	S380	R378-S380 PolarHBondContact O-N 2.87Å
379	P	35.8	Very low	34.4	Very low	127 Å²	127	136.1 Å²	136.1	83%	0.825	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-76.7	119.6	179	29.8	-33	0	0	0	111.1
380	S	30.9	Very low	34.1	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	79%	0.792	S	S	*	*			trans	-115.7	144	156.7	-66	0	0	0	0	107.6	R378	R378-S380 PolarHBondContact O-N 2.87Å
381	A	36.3	Very low	34.4	Very low	95 Å²	95	134.7 Å²	134.7	79%	0.785	80%	0.797	S	S	*	*			trans	-81.8	139.4	177.3	0	0	0	0	0	110.7
382	D	30	Very low	34.5	Very low	164 Å²	164	133.4 Å²	133.4	88%	0.877	80%	0.799	S	S	*	*				-161.8	167.9	117.7	-112.8	-34.1	0	0	0	112.4
383	L	34.3	Very low	34.5	Very low	158 Å²	158	135.6 Å²	135.6	83%	0.827	80%	0.8	S	S	*	*			trans	-105.8	140.6	-173.6	-68.7	163.1	0	0	0	112.3
384	T	34	Very low	34.1	Very low	151 Å²	151	140 Å²	140	93%	0.926	82%	0.815	S	S	*	*			trans	-166.8	155.6	140.1	7.3	0	0	0	0	112.4
385	N	30.3	Very low	33.8	Very low	158 Å²	158	139.6 Å²	139.6	85%	0.845	81%	0.812	S	S	*	*			trans	-86.1	152.2	-177	-67.7	-40	0	0	0	113
386	S	32	Very low	33.2	Very low	130 Å²	130	145.6 Å²	145.6	91%	0.909	84%	0.838	S	S	*	*				-166.8	161.1	127.3	-84.7	0	0	0	0	112.3
387	S	31.3	Very low	33.1	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	84%	0.838	S	S	*	*			trans	-113.6	148.2	-152.1	42.6	0	0	0	0	116.5
388	A	33.2	Very low	32.9	Very low	94 Å²	94	146.9 Å²	146.9	78%	0.777	84%	0.84	S	S	*	*			trans	68.4	165	152.1	0	0	0	0	0	119.2
389	P	40.5	Very low	32.6	Very low	124 Å²	124	141.6 Å²	141.6	81%	0.805	83%	0.834	S	S	*	*			cis	-127	169.3	-36.4	33.4	-17.6	0	0	0	113.8
390	S	29.3	Very low	32.3	Very low	119 Å²	119	141.7 Å²	141.7	83%	0.832	84%	0.837	S	S	*	*			trans	-89.8	144.7	-177.1	-43.5	0	0	0	0	115
391	P	34.6	Very low	32.4	Very low	130 Å²	130	140.9 Å²	140.9	84%	0.844	84%	0.838	S	S	*	*			trans	-89.6	166.9	157.5	35.7	-31.9	0	0	0	112.2
392	S	31.3	Very low	32.1	Very low	120 Å²	120	144 Å²	144	84%	0.839	84%	0.842	S	S	*	*			trans	-117.2	172.1	-162	59.3	0	0	0	0	116.1
393	H	35.4	Very low	32.7	Very low	172 Å²	172	141.2 Å²	141.2	80%	0.796	83%	0.832	S	S	*	*			trans	-53.1	150.6	-170.3	-56.8	-90.4	0	0	0	116.8
394	K	30.9	Very low	33.1	Very low	214 Å²	214	143.3 Å²	143.3	93%	0.93	83%	0.834	S	S	*	*			trans	-142.8	125.9	131.3	-111.7	166	-172.6	172	0	111.2
395	V	31	Very low	33	Very low	122 Å²	122	145.8 Å²	145.8	74%	0.739	84%	0.835	S	S	*	*			trans	-110.2	126.7	174.2	175.2	0	0	0	0	108
396	Q	31.6	Very low	33	Very low	202 Å²	202	149.3 Å²	149.3	94%	0.944	84%	0.837	S	S	*	*			trans	-126.1	120.9	164.6	-98.5	-179.7	-39.6	0	0	110.3
397	R	32.5	Very low	33	Very low	227 Å²	227	154.3 Å²	154.3	86%	0.857	84%	0.836	S	S	*	*			trans	-107.7	118.7	173.8	172.2	-167.4	-75.4	170.2	-5.9	107.2
398	S	31.2	Very low	32.9	Very low	119 Å²	119	158.5 Å²	158.5	83%	0.832	84%	0.841	S	S	*	*			trans	-118.3	138.6	171.3	49.3	0	0	0	0	110.4
399	V	28.3	Very low	33	Very low	122 Å²	122	158.4 Å²	158.4	74%	0.739	83%	0.834	S	S	*	*			trans	-145.2	127.8	179.9	-86.4	0	0	0	0	109.2
400	S	29.3	Very low	32.5	Very low	128 Å²	128	158.3 Å²	158.3	90%	0.895	83%	0.827	S	S	*	*			trans	-172.7	145.8	143.3	-85.6	0	0	0	0	111.2
401	A	32.2	Very low	32.7	Very low	100 Å²	100	161 Å²	161	83%	0.826	83%	0.826	S	S	*	*			trans	-98.6	162.8	163	0	0	0	0	0	109.2
402	N	30.7	Very low	32.6	Very low	161 Å²	161	159.3 Å²	159.3	86%	0.861	82%	0.824	S	S	*	*			trans	-144.7	135.3	169	-148.2	8.9	0	0	0	111.9
403	P	43.9	Very low	32.6	Very low	104 Å²	104	158.6 Å²	158.6	68%	0.675	83%	0.825	S	S	*	*			trans	-111.5	139.3	-177.3	37.6	-29.2	0	0	0	115.2
404	K	41.8	Very low	32.2	Very low	202 Å²	202	153.9 Å²	153.9	88%	0.878	82%	0.822	S	S	*	*			trans	42.3	127	147.3	-60	-179.6	178.4	-179.5	0	120.6
405	Q	31.1	Very low	33.3	Very low	203 Å²	203	149.8 Å²	149.8	95%	0.949	82%	0.818	S	S	*	*				-158.5	-172.5	122.4	-114.8	-179.5	24.4	0	0	114
406	R	31.9	Very low	33.2	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.879	82%	0.818	S	S	*	*			trans	-118.9	148.9	-164.9	-69.7	166.8	153.4	178.5	-9.5	113.4
407	R	31.8	Very low	33.5	Very low	234 Å²	234	146.2 Å²	146.2	88%	0.883	81%	0.812	S	S	*	*			trans	-175.1	125.1	131.9	-102.8	168.1	172	172.9	-3	108.3
408	F	28.7	Very low	34.1	Very low	199 Å²	199	140.4 Å²	140.4	87%	0.873	80%	0.803	S	S	*	*				85.2	161.5	89	-96.2	-87.7	0	0	0	114.3
409	S	34.5	Very low	34.1	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	80%	0.799	S	S	*	*			trans	-80.5	175.9	-162.7	59.3	0	0	0	0	113.7
410	D	30.1	Very low	34.3	Very low	122 Å²	122	139.8 Å²	139.8	65%	0.652	80%	0.8	S	S	*	*			cis	-159.2	-172.7	34.7	-128.9	-60.5	0	0	0	116.4
411	Q	33.7	Very low	34.5	Very low	175 Å²	175	140.8 Å²	140.8	82%	0.818	80%	0.795	S	S	*	*			trans	-19.1	157.9	166.3	-76.1	156.4	73.9	0	0	119.8
412	A	32.2	Very low	34.5	Very low	95 Å²	95	140.1 Å²	140.1	79%	0.785	79%	0.785	S	S	*	*			cis	-157.8	174.9	-2.1	0	0	0	0	0	108.1
413	A	30.6	Very low	34.5	Very low	104 Å²	104	142.8 Å²	142.8	86%	0.86	78%	0.784	S	S	*	*			cis	-160.4	178.7	38.6	0	0	0	0	0	113.6
414	G	28.4	Very low	34	Very low	73 Å²	73	142.8 Å²	142.8	75%	0.753	79%	0.786	S	S	*	*			trans	-104.2	-145.1	-179.5	0	0	0	0	0	114.4
415	P	53.8	Low	33.5	Very low	129 Å²	129	142.2 Å²	142.2	84%	0.838	78%	0.784	S	S	*	*			cis	-141.7	162.2	8.5	42.4	-24.8	0	0	0	118.5
416	A	28.8	Very low	33.6	Very low	89 Å²	89	141.9 Å²	141.9	74%	0.736	78%	0.779	S	S	*	*			trans	-178.4	105.3	146.7	0	0	0	0	0	109.1
417	I	36.9	Very low	33.4	Very low	159 Å²	159	138 Å²	138	82%	0.815	78%	0.782	S	S	*	*				77.5	122.4	80.7	-69.4	165.6	0	0	0	113.6
418	P	46.1	Very low	33.4	Very low	105 Å²	105	135.8 Å²	135.8	68%	0.682	78%	0.782	S	S	*	*			cis	-144	169.4	-24.2	43.7	-25.2	0	0	0	117.2
419	T	31.2	Very low	33.6	Very low	120 Å²	120	131 Å²	131	74%	0.736	77%	0.773	S	S	*	*			trans	17.2	138.5	145.4	56	0	0	0	0	122.3
420	S	33.1	Very low	33.4	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	78%	0.779	S	S	*	*			cis	68.1	141.4	7.7	116.8	0	0	0	0	117.1
421	N	32.4	Very low	33.4	Very low	148 Å²	148	134.3 Å²	134.3	79%	0.791	78%	0.783	S	S	*	*			cis	-168.5	-178.2	-8.8	-154.7	-3.7	0	0	0	111.5
422	S	33.4	Very low	33.4	Very low	87 Å²	87	129.8 Å²	129.8	61%	0.608	78%	0.776	S	S	*	*			trans	75.8	119.6	141.3	54.7	0	0	0	0	126.6
423	Y	30.3	Very low	33.3	Very low	216 Å²	216	133 Å²	133	85%	0.847	77%	0.774	S	S	*	*				65.7	104.9	128.2	-76.5	-94.5	0	0	0	125.9
424	S	32.3	Very low	33.3	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	77%	0.765	S	S	*	*				99.1	141.7	110.4	79.1	0	0	0	0	125.5
425	K	32.1	Very low	33.3	Very low	190 Å²	190	140 Å²	140	83%	0.826	77%	0.771	S	S	*	*			trans	108.1	107.2	132.8	-147.9	177.1	-171	-178.8	0	121.2
426	K	32.4	Very low	32.2	Very low	196 Å²	196	145.1 Å²	145.1	85%	0.852	77%	0.773	S	S	*	*			trans	40	128.6	148.6	-75	-168	172	-169.4	0	123.1
427	T	28.1	Very low	33	Very low	153 Å²	153	145.3 Å²	145.3	94%	0.939	77%	0.767	S	S	*	*			trans	-154.4	-179.1	131.4	12.8	0	0	0	0	111.2
428	Q	31.9	Very low	32.7	Very low	187 Å²	187	146 Å²	146	87%	0.874	77%	0.767	S	S	*	*			trans	-122.3	161.8	-167.1	-63.5	170.5	-86.5	0	0	114.8
429	S	32.4	Very low	32	Very low	98 Å²	98	148.2 Å²	148.2	69%	0.685	77%	0.768	S	S	*	*				127.7	142.2	125.7	71.7	0	0	0	0	118.4
430	N	30.6	Very low	32	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	76%	0.763	S	S	*	*			trans	65.9	149	158.2	-57.5	-4.9	0	0	0	117.7
431	N	29.9	Very low	32.1	Very low	141 Å²	141	150.5 Å²	150.5	75%	0.754	76%	0.755	S	S	*	*			cis	-142.5	158.3	-1.9	-103.2	-8.5	0	0	0	108
432	A	33.6	Very low	32.2	Very low	80 Å²	80	151.7 Å²	151.7	66%	0.661	76%	0.756	S	S	*	*				59	137.1	66	0	0	0	0	0	113.7
433	E	31.3	Very low	32.1	Very low	161 Å²	161	152.7 Å²	152.7	75%	0.752	76%	0.763	S	S	*	*			cis	-165.3	174	6.8	-131.9	-173.8	148.2	0	0	113.5
434	N	29.8	Very low	32.1	Very low	122 Å²	122	145.9 Å²	145.9	65%	0.652	76%	0.759	S	S	*	*			trans	24.9	137.9	152.3	-57.3	-31.3	0	0	0	122
435	K	28.3	Very low	32.2	Very low	204 Å²	204	152.1 Å²	152.1	89%	0.887	77%	0.767	S	S	*	*				-167.8	157.6	76.8	-104.8	-175.9	179.9	177.6	0	116.9
436	R	31.9	Very low	32.2	Very low	235 Å²	235	152.7 Å²	152.7	89%	0.887	77%	0.769	S	S	*	*			trans	-91.6	-177.4	160.5	-88.2	-173.6	-178.4	-167	1.9	109.4
437	P	45.3	Very low	32.2	Very low	93 Å²	93	147.5 Å²	147.5	60%	0.604	76%	0.763	S	S	*	*			cis	-154.7	-167.8	30.6	45.8	-22.7	0	0	0	119.3
438	E	30.6	Very low	32.2	Very low	175 Å²	175	145.5 Å²	145.5	82%	0.818	76%	0.755	S	S	*	*			trans	61.5	159	149.4	-76.9	144.3	-148.5	0	0	121.7
439	E	31.9	Very low	32.3	Very low	150 Å²	150	140.5 Å²	140.5	70%	0.701	74%	0.741	S	S	*	*			cis	-111.1	-137.8	-12.9	-140.3	-172.4	159.2	0	0	109.3	R441	E439-R441 VanDerWaalsContact CD-NH1 3.34Å; E439-R441 IonicContact OE1-CZ 2.64Å; E439-R441 IonicContact OE1-NH1 2.86Å; E439-R441 PolarHBondContact OE1-NH1 3.44Å; E439-R441 IonicContact OE1-NH2 2.66Å; E439-R441 IonicContact OE2-NH1 2.97Å; E439-R441 PolarHBondContact OE2-NH1 3.25Å
440	D	31.3	Very low	32.2	Very low	119 Å²	119	142.3 Å²	142.3	64%	0.636	75%	0.748	S	S	*	*			cis	-147.4	178.3	-3.3	-167.7	17.8	0	0	0	110.4
441	R	33.6	Very low	32.3	Very low	158 Å²	158	139.3 Å²	139.3	60%	0.596	74%	0.743	S	S	*	*			trans	-42.2	143	172.7	-76.3	157.7	-172	85.3	6.7	118	E439	E439-R441 VanDerWaalsContact CD-NH1 3.34Å; E439-R441 IonicContact OE1-CZ 2.64Å; E439-R441 IonicContact OE1-NH1 2.86Å; E439-R441 PolarHBondContact OE1-NH1 3.44Å; E439-R441 IonicContact OE1-NH2 2.66Å; E439-R441 IonicContact OE2-NH1 2.97Å; E439-R441 PolarHBondContact OE2-NH1 3.25Å
442	E	34.2	Very low	32.3	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	75%	0.749	S	S	*	*				82.1	134.2	71.5	-132.5	-170.3	167	0	0	111.5
443	S	33.1	Very low	32.4	Very low	107 Å²	107	145 Å²	145	75%	0.748	76%	0.757	S	S	*	*			cis	-164.6	154.7	34.9	58.6	0	0	0	0	114.2
444	G	30.2	Very low	33.2	Very low	74 Å²	74	143.1 Å²	143.1	76%	0.763	76%	0.759	S	S	*	*			trans	58	158.2	142.3	0	0	0	0	0	123
445	R	34.6	Very low	33.2	Very low	234 Å²	234	141.5 Å²	141.5	88%	0.883	76%	0.762	S	S	*	*			cis	-158.5	152.7	-12.8	-95.8	175.2	-175.3	178.5	2.5	108.8
446	K	31.4	Very low	33.7	Very low	202 Å²	202	137.4 Å²	137.4	88%	0.878	76%	0.759	S	S	*	*			trans	16.1	150.2	143.8	-50.5	-179	179.2	-175.9	0	119.6
447	A	31.3	Very low	34.7	Very low	87 Å²	87	132.3 Å²	132.3	72%	0.719	76%	0.757	S	S	*	*			cis	-157.7	162	17.1	0	0	0	0	0	110.6
448	S	29.9	Very low	34.3	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	77%	0.769	S	S	*	*				58.5	136.3	91	-144.5	0	0	0	0	115.5
449	S	32.9	Very low	35.8	Very low	83 Å²	83	133.6 Å²	133.6	58%	0.58	77%	0.771	S	S	*	*			cis	179.6	170.5	-8.3	45	0	0	0	0	112
450	T	31.4	Very low	35.6	Very low	135 Å²	135	129.5 Å²	129.5	83%	0.828	77%	0.769	S	S	*	*			trans	64	155.2	151.9	46.8	0	0	0	0	120.1
451	A	31	Very low	35.9	Very low	80 Å²	80	131.8 Å²	131.8	66%	0.661	78%	0.78	S	S	*	*			cis	-174.5	177.5	-21.3	0	0	0	0	0	112
452	K	30.7	Very low	36.1	Very low	205 Å²	205	130.3 Å²	130.3	89%	0.891	78%	0.78	S	S	*	*			trans	96.6	149.3	158.9	-59	-176.8	178.9	179.4	0	119.8
453	V	35.6	Very low	36.3	Very low	135 Å²	135	131.5 Å²	131.5	82%	0.818	78%	0.777	S	S	*	*			trans	-124.8	162.9	179.2	-132.9	0	0	0	0	107.8
454	P	47.9	Very low	36.5	Very low	123 Å²	123	135.8 Å²	135.8	80%	0.799	78%	0.782	S	S	*	*				-132.8	-147.7	65.1	29.6	-4.9	0	0	0	111.2
455	A	30.4	Very low	36.9	Very low	87 Å²	87	140.2 Å²	140.2	72%	0.719	78%	0.78	S	S	*	*			cis	-160.1	-177.3	9.4	0	0	0	0	0	112.8
456	S	39.5	Very low	36.8	Very low	118 Å²	118	135 Å²	135	83%	0.825	78%	0.775	S	S	*	*			trans	-157.7	154.8	167.9	-61.5	0	0	0	0	109.8
457	P	52	Low	37	Very low	129 Å²	129	130.1 Å²	130.1	84%	0.838	76%	0.762	S	S	*	*				-153	-157.7	92.9	41.3	-20.6	0	0	0	115.7
458	L	36.7	Very low	38.1	Very low	165 Å²	165	131.8 Å²	131.8	86%	0.864	77%	0.765	S	S	*	*			trans	-106.6	-154.7	-170.5	-62.6	166.8	0	0	0	113
459	P	63	Low	38.5	Very low	130 Å²	130	132.6 Å²	132.6	84%	0.844	77%	0.766	S	S	*	*				-130	178.3	-86.5	41.5	-25.2	0	0	0	116.8
460	G	28	Very low	39.6	Very low	64 Å²	64	134 Å²	134	66%	0.66	77%	0.773	S	S	*	*			trans	-170.7	142.4	168	0	0	0	0	0	112.2
461	L	37.4	Very low	40	Very low	166 Å²	166	132.7 Å²	132.7	87%	0.869	77%	0.769	S	S	*	*				76.8	140.9	56.2	-85.5	68.5	0	0	0	113.3
462	E	37.4	Very low	40.4	Very low	128 Å²	128	134.3 Å²	134.3	60%	0.598	77%	0.771	S	S	*	*			cis	-157.6	174.6	8	-131	-156.6	-171.8	0	0	110.1
463	R	37.7	Very low	40.5	Very low	199 Å²	199	132 Å²	132	75%	0.751	77%	0.768	S	S	*	*			cis	-137.5	-86.8	1.7	-157.9	176.9	-154.8	124	-1.7	113.2
464	K	37	Very low	40.6	Very low	196 Å²	196	130.9 Å²	130.9	85%	0.852	77%	0.766	S	S	*	*			cis	-175.7	123.8	-17.4	-151.5	172.1	-172.7	176	0	108.7
465	K	39.9	Very low	39.8	Very low	168 Å²	168	131.7 Å²	131.7	73%	0.73	77%	0.769	S	S	*	*			cis	-102.8	-101.3	-19.9	-172	-163	-178	-162	0	111.2	T467	K465-T467 PolarHBondContact NZ-OG1 2.75Å
466	T	31.4	Very low	39.9	Very low	125 Å²	125	134.7 Å²	134.7	77%	0.767	77%	0.772	S	S	*	*			cis	-144.6	166.2	-1.6	47	0	0	0	0	110.7
467	T	36.3	Very low	39.4	Very low	99 Å²	99	133.4 Å²	133.4	61%	0.607	76%	0.763	S	S	*	*			trans	-164.4	172.6	-160.9	56.7	0	0	0	0	113.5	K465	K465-T467 PolarHBondContact NZ-OG1 2.75Å
468	P	53.2	Low	38.3	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	76%	0.759	S	S	*	*			cis	-138.3	-179.7	10.6	43.1	-24.6	0	0	0	118.3
469	T	39.3	Very low	37.9	Very low	129 Å²	129	129.8 Å²	129.8	79%	0.791	75%	0.75	S	S	*	*			trans	-112	-172.9	167.5	54.8	0	0	0	0	111.2
470	P	55.9	Low	36.6	Very low	113 Å²	113	130.9 Å²	130.9	73%	0.734	75%	0.754	S	S	*	*				-147.5	143.3	121.3	33.8	-16.3	0	0	0	117.9
471	S	40.1	Very low	36.8	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	76%	0.759	S	S	*	*			trans	64.6	146.1	131.5	-57.1	0	0	0	0	122.7
472	T	39.1	Very low	36.6	Very low	114 Å²	114	137.4 Å²	137.4	70%	0.699	76%	0.758	S	S	*	*			cis	-163	145.5	-5.3	13.3	0	0	0	0	114.5
473	N	33.8	Very low	36.4	Very low	158 Å²	158	136.4 Å²	136.4	85%	0.845	77%	0.765	S	S	*	*			trans	68.3	162.7	141.1	-65.7	1.1	0	0	0	123.9
474	S	35.9	Very low	36.2	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	77%	0.773	S	S	*	*			trans	-159.6	151.3	-161.1	54.2	0	0	0	0	113.5
475	V	31.1	Very low	36	Very low	139 Å²	139	136.1 Å²	136.1	84%	0.842	77%	0.769	S	S	*	*			trans	-174.8	155.3	164.2	-94	0	0	0	0	108.4
476	L	32.6	Very low	35.8	Very low	150 Å²	150	133.5 Å²	133.5	79%	0.785	77%	0.772	S	S	*	*			cis	-163	146	-29.2	-163.3	75.4	0	0	0	109.7
477	S	30.4	Very low	36.8	Very low	92 Å²	92	133 Å²	133	64%	0.643	77%	0.771	S	S	*	*			trans	65	154.9	148.5	51.9	0	0	0	0	124.7
478	T	29.3	Very low	36.6	Very low	122 Å²	122	135.7 Å²	135.7	75%	0.748	78%	0.781	S	S	*	*			trans	72.9	90.4	149.5	39.1	0	0	0	0	122.6
479	S	28	Very low	35.7	Very low	96 Å²	96	138 Å²	138	67%	0.671	79%	0.785	S	S	*	*				29.7	132.1	118.1	62.1	0	0	0	0	121.9
480	T	34.8	Very low	35.4	Very low	153 Å²	153	140 Å²	140	94%	0.939	79%	0.786	S	S	*	*				-168.5	-173.9	113.2	19.5	0	0	0	0	112.2
481	N	31.4	Very low	34.2	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	80%	0.796	S	S	*	*			trans	-131	150	-159.3	-131.4	-36.6	0	0	0	110.9
482	R	33.7	Very low	33.8	Very low	226 Å²	226	145.7 Å²	145.7	85%	0.853	80%	0.796	S	S	*	*			trans	66.9	124.6	164.8	-60.7	169.4	179.3	-177.2	-2.7	116
483	S	33.4	Very low	33.4	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	80%	0.804	S	S	*	*				78.8	111.4	56.5	-178	0	0	0	0	114.8
484	R	33.5	Very low	33.4	Very low	245 Å²	245	147.1 Å²	147.1	93%	0.925	81%	0.808	S	S	*	*			trans	-165	165.2	140.2	-111.4	169.8	178.6	173.2	-1.9	111.6
485	N	33	Very low	33.1	Very low	145 Å²	145	145.7 Å²	145.7	78%	0.775	81%	0.811	S	S	*	*			trans	-108.8	168.3	-169.1	-63.6	-6.7	0	0	0	113
486	S	36	Very low	33.1	Very low	113 Å²	113	148.2 Å²	148.2	79%	0.79	81%	0.813	S	S	*	*			trans	75.9	164.1	147.8	80.6	0	0	0	0	117.5
487	P	51.6	Low	33	Very low	114 Å²	114	145.5 Å²	145.5	74%	0.74	81%	0.813	S	S	*	*			cis	-132.9	176	6.8	41.7	-24.6	0	0	0	118.1
488	L	33.1	Very low	33	Very low	155 Å²	155	145.8 Å²	145.8	81%	0.812	82%	0.815	S	S	*	*			trans	-24.4	150.8	164.5	-68.7	153.3	0	0	0	119.5
489	L	35	Very low	33.3	Very low	169 Å²	169	147.3 Å²	147.3	89%	0.885	82%	0.817	S	S	*	*				-157.7	150.1	115.2	-115.4	164	0	0	0	112.4
490	E	32	Very low	33.3	Very low	172 Å²	172	152.3 Å²	152.3	80%	0.804	83%	0.829	S	S	*	*			trans	-92.5	149.5	177.9	-60.4	170.1	97.1	0	0	112.2
491	R	30.4	Very low	33.2	Very low	248 Å²	248	153 Å²	153	94%	0.936	83%	0.827	S	S	*	*				-154.8	145.2	125.8	-144.9	168	-178.9	84.9	-1.1	111.6
492	A	31	Very low	33.2	Very low	91 Å²	91	149.1 Å²	149.1	75%	0.752	82%	0.821	S	S	*	*			trans	-89.2	159.2	-178.6	0	0	0	0	0	113
493	S	31.3	Very low	33.3	Very low	124 Å²	124	147.5 Å²	147.5	87%	0.867	82%	0.82	S	S	*	*			trans	-158.8	148	136	-130.1	0	0	0	0	110.6
494	L	33.5	Very low	33.2	Very low	177 Å²	177	148.4 Å²	148.4	93%	0.927	82%	0.817	S	S	*	*			trans	-84.2	148.7	172.7	-75.1	87.8	0	0	0	110.6
495	G	29.4	Very low	33.4	Very low	81 Å²	81	141.3 Å²	141.3	84%	0.835	81%	0.805	S	S	*	*			trans	-154	133.9	168	0	0	0	0	0	109
496	Q	32.1	Very low	33.6	Very low	192 Å²	192	141.6 Å²	141.6	90%	0.897	81%	0.805	S	S	*	*			trans	-127.8	161.6	-167	-163.6	172.1	9.2	0	0	110.8
497	A	29.3	Very low	33.5	Very low	94 Å²	94	142.7 Å²	142.7	78%	0.777	81%	0.808	S	S	*	*			trans	70.9	160.5	174.7	0	0	0	0	0	116.2
498	S	30.7	Very low	32.6	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	81%	0.807	S	S	*	*			cis	-168.9	142.5	-35.3	55.9	0	0	0	0	110.7
499	I	35.5	Very low	33.4	Very low	154 Å²	154	142.6 Å²	142.6	79%	0.79	81%	0.805	S	S	*	*			trans	41.5	114.4	150.1	-51	168.3	0	0	0	118.2
500	Q	28.8	Very low	33.3	Very low	200 Å²	200	137.2 Å²	137.2	94%	0.935	79%	0.79	S	S	*	*				-163	179.4	124.3	-111.7	167	87.5	0	0	113.2
501	N	31.8	Very low	33.6	Very low	168 Å²	168	134.2 Å²	134.2	90%	0.898	79%	0.788	S	S	*	*			trans	-141.5	143.1	-149.2	-169.8	12.8	0	0	0	112
502	G	31.6	Very low	34	Very low	60 Å²	60	133.7 Å²	133.7	62%	0.619	79%	0.786	S	S	*	*			trans	137.9	117.4	164.6	0	0	0	0	0	117.2
503	K	35.4	Very low	34.5	Very low	191 Å²	191	134.2 Å²	134.2	83%	0.83	79%	0.791	S	S	*	*			trans	49.1	147.8	133	-82.2	-177.1	171.7	-171.8	0	121.3
504	D	32	Very low	34.6	Very low	126 Å²	126	134 Å²	134	67%	0.674	79%	0.789	S	S	*	*			cis	-146.8	168.6	30.5	-113.1	-46.8	0	0	0	115.6
505	S	37.3	Very low	35	Very low	96 Å²	96	132.5 Å²	132.5	67%	0.671	79%	0.788	S	S	*	*			trans	15.4	151.3	141.2	-59.1	0	0	0	0	122
506	L	37.9	Very low	35.3	Very low	151 Å²	151	133.6 Å²	133.6	79%	0.791	79%	0.789	S	S	*	*			cis	-168.9	150.8	7	-121.8	167.9	0	0	0	111.2
507	T	33.2	Very low	35.8	Very low	136 Å²	136	130 Å²	130	83%	0.834	79%	0.785	S	S	*	*			trans	156.6	154.7	137.7	42.2	0	0	0	0	113.9
508	M	33.2	Very low	36.3	Very low	147 Å²	147	130.1 Å²	130.1	72%	0.724	79%	0.786	S	S	*	*			trans	-157.5	177.5	-172.1	-94.8	-68.5	-81.7	0	0	108
509	P	49.1	Very low	36.4	Very low	119 Å²	119	131.1 Å²	131.1	77%	0.773	79%	0.793	S	S	*	*			cis	-123.3	177	14.1	31.4	-9.3	0	0	0	114.9
510	G	34	Very low	36.4	Very low	56 Å²	56	128.2 Å²	128.2	58%	0.577	79%	0.792	S	S	*	*			cis	103.6	142.1	18	0	0	0	0	0	110.7
511	S	37.4	Very low	36.5	Very low	109 Å²	109	123.2 Å²	123.2	76%	0.762	79%	0.785	S	S	*	*			cis	-131.2	171.7	13.4	-86.3	0	0	0	0	110.6
512	R	39.3	Very low	36.6	Very low	237 Å²	237	121.6 Å²	121.6	89%	0.894	78%	0.781	S	S	*	*			cis	76.4	141.5	36.1	-59.5	-174.6	176	-152.8	0.2	115.4
513	A	41.4	Very low	36.6	Very low	102 Å²	102	124.1 Å²	124.1	84%	0.843	79%	0.789	S	S	*	*			trans	-111.4	175.7	-179.3	0	0	0	0	0	111.9
514	S	33.7	Very low	36.5	Very low	120 Å²	120	120 Å²	120	84%	0.839	79%	0.79	S	S	*	*			trans	-139.7	144.6	-168.2	-60.7	0	0	0	0	116.2
515	T	42.3	Very low	36.4	Very low	145 Å²	145	118.3 Å²	118.3	89%	0.89	79%	0.794	S	S	*	*			trans	-149.3	126	163.5	50.3	0	0	0	0	109.4
516	A	35.6	Very low	36.4	Very low	104 Å²	104	125.4 Å²	125.4	86%	0.86	81%	0.806	S	S	*	*			trans	-166.2	172.5	171.3	0	0	0	0	0	111.7
517	S	42.2	Very low	37.1	Very low	117 Å²	117	123 Å²	123	82%	0.818	80%	0.8	S	S	*	*			trans	-151.9	155.9	-177.7	-55.7	0	0	0	0	113
518	A	39.8	Very low	37.3	Very low	97 Å²	97	126.9 Å²	126.9	80%	0.802	80%	0.799	S	S	*	*			trans	66.9	144.1	171	0	0	0	0	0	117.4
519	S	33.9	Very low	37.4	Very low	119 Å²	119	126.6 Å²	126.6	83%	0.832	80%	0.796	S	S	*	*			cis	-158.5	-157.3	-16	-79.6	0	0	0	0	106.8
520	A	35.2	Very low	36.8	Very low	93 Å²	93	127.2 Å²	127.2	77%	0.769	79%	0.788	S	S	*	*			cis	-165	-170.1	8	0	0	0	0	0	110.6
521	A	30	Very low	36.9	Very low	94 Å²	94	131.8 Å²	131.8	78%	0.777	79%	0.794	S	S	*	*			trans	71.1	143.3	160.1	0	0	0	0	0	119.4
522	V	35.2	Very low	36.9	Very low	134 Å²	134	135 Å²	135	81%	0.812	80%	0.795	S	S	*	*			cis	-158.8	160	-18.7	-93.6	0	0	0	0	111.7
523	S	30.9	Very low	36.8	Very low	113 Å²	113	128.4 Å²	128.4	79%	0.79	79%	0.785	S	S	*	*			trans	87.2	121.6	150.3	-63.7	0	0	0	0	124.5
524	A	32.4	Very low	36.4	Very low	105 Å²	105	131.8 Å²	131.8	87%	0.868	79%	0.785	S	S	*	*			trans	62.7	144.5	144.6	0	0	0	0	0	122.9
525	A	30.9	Very low	36.3	Very low	91 Å²	91	131.2 Å²	131.2	75%	0.752	78%	0.781	S	S	*	*			cis	-168.2	130.6	-19.9	0	0	0	0	0	114.8
526	R	36.7	Very low	35.9	Very low	245 Å²	245	128.9 Å²	128.9	93%	0.925	78%	0.777	S	S	*	*			trans	55.6	168	149.1	-89.4	-169.8	172.4	-170.2	-0.6	120.7
527	P	52.6	Low	35.8	Very low	100 Å²	100	129 Å²	129	65%	0.649	77%	0.772	S	S	*	*			cis	-137.3	169.2	11	44	-26.7	0	0	0	119.6
528	R	37.6	Very low	35.3	Very low	218 Å²	218	130 Å²	130	82%	0.823	77%	0.772	S	S	*	*			trans	70.5	149.3	158.9	-67.4	175.7	-174.3	-158.9	2.5	118.8
529	Q	35.4	Very low	35.2	Very low	140 Å²	140	133.9 Å²	133.9	65%	0.654	77%	0.773	S	S	*	*			cis	-155.1	156.1	-2.6	-123.4	172.4	-65.6	0	0	113.8
530	H	37.2	Very low	36.2	Very low	132 Å²	132	133.5 Å²	133.5	61%	0.611	77%	0.768	S	S	*	*			trans	44.6	124	164.5	-67.1	-72.1	0	0	0	121.4
531	Q	36.1	Very low	36.2	Very low	153 Å²	153	136.4 Å²	136.4	72%	0.715	77%	0.771	S	S	*	*				65.6	136.6	72.2	-77.9	-174.2	-13.6	0	0	113.7
532	K	35.9	Very low	36.5	Very low	177 Å²	177	141.2 Å²	141.2	77%	0.77	77%	0.774	S	S	*	*			cis	-156.3	168.8	2.7	-96.6	179.6	-179.7	179.1	0	105.9
533	S	37.2	Very low	36.4	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	77%	0.772	S	S	*	*			cis	-163.6	-154.4	-14.1	-86.3	0	0	0	0	105.4
534	M	32.8	Very low	36.5	Very low	172 Å²	172	139.8 Å²	139.8	85%	0.847	78%	0.775	S	S	*	*			cis	-159.4	-167.9	4.4	-138.9	-29.2	-176.7	0	0	109.8
535	S	33.3	Very low	36.4	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	77%	0.772	S	S	*	*			trans	-123.3	179.2	177.4	-51.7	0	0	0	0	110.6
536	A	32.3	Very low	36.6	Very low	96 Å²	96	142.2 Å²	142.2	79%	0.793	78%	0.779	S	S	*	*			cis	-157.3	-176.5	18.9	0	0	0	0	0	114.9
537	S	34	Very low	37.8	Very low	108 Å²	108	135.7 Å²	135.7	76%	0.755	77%	0.768	S	S	*	*			trans	-71.7	163.6	-176.3	52.1	0	0	0	0	118.6
538	V	32.6	Very low	38	Very low	138 Å²	138	135.5 Å²	135.5	84%	0.836	77%	0.767	S	S	*	*				170	155.4	123.4	151.7	0	0	0	0	113
539	H	36.4	Very low	37.8	Very low	178 Å²	178	131 Å²	131	82%	0.824	76%	0.764	S	S	*	*			trans	-103.2	-168	174.8	-64.6	-79.2	0	0	0	111.4
540	P	56.4	Low	37.7	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	77%	0.772	S	S	*	*			cis	-138.5	-174.2	-9.3	39.8	-19.5	0	0	0	117.2
541	N	34.8	Very low	37.5	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	78%	0.778	S	S	*	*			trans	89.6	170	143.6	-95.3	-21.2	0	0	0	124.3
542	K	35.3	Very low	37.4	Very low	195 Å²	195	131.5 Å²	131.5	85%	0.848	78%	0.783	S	S	*	*			trans	-102.9	155.9	-155.3	-49.2	169.9	178	176	0	116.5
543	A	33	Very low	37.2	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	78%	0.781	S	S	*	*			trans	-176.6	118.4	145.1	0	0	0	0	0	109.3
544	S	34.4	Very low	36.9	Very low	124 Å²	124	132.6 Å²	132.6	87%	0.867	79%	0.791	S	S	*	*				84.2	122.7	80	74.1	0	0	0	0	117.1
545	G	29.3	Very low	37.2	Very low	78 Å²	78	131 Å²	131	80%	0.804	79%	0.791	S	S	*	*			trans	162.2	144.7	167.8	0	0	0	0	0	116.9
546	L	34.3	Very low	37.8	Very low	169 Å²	169	131.9 Å²	131.9	89%	0.885	79%	0.793	S	S	*	*			trans	-162.4	174.5	179.5	-90.2	177.4	0	0	0	109.7
547	P	62	Low	37.8	Very low	109 Å²	109	138.5 Å²	138.5	71%	0.708	80%	0.798	S	S	*	*			cis	-129.5	-27.8	-13.9	22.5	-3.5	0	0	0	125.8
548	P	58	Low	38.7	Very low	96 Å²	96	138.3 Å²	138.3	62%	0.623	79%	0.794	S	S	*	*				-132.3	172.4	-122	42.9	-26.7	0	0	0	120.9
549	T	33.2	Very low	38.6	Very low	123 Å²	123	136.6 Å²	136.6	76%	0.755	79%	0.788	S	S	*	*			trans	64.8	143.9	154.5	45.4	0	0	0	0	121.4
550	E	33.7	Very low	38.5	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	79%	0.79	S	S	*	*			cis	-169.7	-174.1	-21.8	-137	179.6	-126.9	0	0	112.8
551	S	32	Very low	37.5	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	79%	0.792	S	S	*	*			trans	74.4	130.3	174.9	68.3	0	0	0	0	118.4
552	N	34.4	Very low	38.3	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	79%	0.789	S	S	*	*				81.4	135	51.2	-76.9	-5.1	0	0	0	113.7
553	C	32.1	Very low	38.4	Very low	108 Å²	108	130.4 Å²	130.4	73%	0.73	78%	0.784	S	S	*	*			cis	-142.9	176.5	-6.3	-84.1	0	0	0	0	108.4
554	E	30.2	Very low	38.4	Very low	191 Å²	191	136.7 Å²	136.7	89%	0.893	79%	0.788	S	S	*	*				-176.8	-178.6	66.4	-77.3	-166.5	114.8	0	0	112
555	V	39.7	Very low	38.4	Very low	139 Å²	139	137.2 Å²	137.2	84%	0.842	79%	0.786	S	S	*	*			trans	-149.8	131.5	-171.1	169.2	0	0	0	0	110.4
556	P	45.8	Very low	39.4	Very low	125 Å²	125	139 Å²	139	81%	0.812	78%	0.783	S	S	*	*				-159.8	166.6	93	41.1	-19.1	0	0	0	121.6
557	R	31.5	Very low	39.3	Very low	235 Å²	235	137.9 Å²	137.9	89%	0.887	78%	0.783	S	S	*	*			trans	-23.5	178.2	153.6	-94.9	178.8	179.1	172.7	0.3	121.3
558	P	53.4	Low	37.8	Very low	105 Å²	105	137.1 Å²	137.1	68%	0.682	79%	0.786	S	S	*	*			cis	-142.6	-164.3	-10	32.7	-7.9	0	0	0	117.1
559	S	31.2	Very low	36.7	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	80%	0.795	S	S	*	*			trans	86	149.5	153.1	-56.6	0	0	0	0	119.3
560	T	34.2	Very low	37.3	Very low	139 Å²	139	138.5 Å²	138.5	85%	0.853	80%	0.799	S	S	*	*			cis	-160.5	170.2	-13.4	17	0	0	0	0	111.1
561	A	34.2	Very low	37.3	Very low	91 Å²	91	136.1 Å²	136.1	75%	0.752	80%	0.802	S	S	*	*			trans	-94.5	-173	174.6	0	0	0	0	0	112.2
562	P	53.4	Low	37.4	Very low	119 Å²	119	135.2 Å²	135.2	77%	0.773	80%	0.801	S	S	*	*			cis	-152.2	179.2	23.1	46.1	-24	0	0	0	121.1
563	Q	36.4	Very low	37.4	Very low	159 Å²	159	137.6 Å²	137.6	74%	0.743	81%	0.807	S	S	*	*			trans	38.5	142.5	145.8	-77.6	-161.2	17.2	0	0	127.8
564	R	33	Very low	37.4	Very low	224 Å²	224	139.7 Å²	139.7	85%	0.845	81%	0.811	S	S	*	*			trans	104.3	156.7	138	-87.8	173.7	-173.6	-165.9	-2.2	122.4
565	V	34.2	Very low	37.6	Very low	135 Å²	135	138.2 Å²	138.2	82%	0.818	81%	0.807	S	S	*	*			trans	-105.3	-177.7	-172.7	-75	0	0	0	0	111.1
566	P	51.6	Low	37.3	Very low	115 Å²	115	136.4 Å²	136.4	75%	0.747	80%	0.801	S	S	*	*			cis	-139	-161.2	7.1	41.8	-20.1	0	0	0	115.3
567	V	31.1	Very low	36.6	Very low	146 Å²	146	136 Å²	136	89%	0.885	80%	0.802	S	S	*	*			trans	161.2	167.8	135	160.9	0	0	0	0	112
568	A	31.3	Very low	36.8	Very low	93 Å²	93	130.7 Å²	130.7	77%	0.769	80%	0.8	S	S	*	*			trans	-115.7	-172.6	-162.1	0	0	0	0	0	116.1
569	S	33.8	Very low	35.7	Very low	118 Å²	118	129 Å²	129	83%	0.825	80%	0.802	S	S	*	*			trans	-72.6	160.2	-170.7	-35.6	0	0	0	0	117.2
570	P	45.4	Very low	35.7	Very low	129 Å²	129	128.2 Å²	128.2	84%	0.838	81%	0.81	S	S	*	*			trans	-106.8	178.5	155.6	38.2	-30.2	0	0	0	113.5
571	S	33.6	Very low	35.6	Very low	126 Å²	126	126.3 Å²	126.3	88%	0.881	81%	0.808	S	S	*	*			trans	-116.1	-179.2	-167.5	56.4	0	0	0	0	114.9
572	A	35.3	Very low	36.7	Very low	87 Å²	87	127.7 Å²	127.7	72%	0.719	81%	0.809	S	S	*	*			trans	-95	160.5	-168.9	0	0	0	0	0	115.6
573	H	34.2	Very low	35.8	Very low	204 Å²	204	127.3 Å²	127.3	94%	0.944	80%	0.801	S	S	*	*			trans	-140.4	173	165.2	-98.9	26.6	0	0	0	111.5
574	N	32.8	Very low	35.8	Very low	151 Å²	151	128.9 Å²	128.9	81%	0.807	80%	0.8	S	S	*	*			trans	-149.9	141.5	-146.7	176.5	36.6	0	0	0	113.3
575	I	33.8	Very low	35.9	Very low	160 Å²	160	123.8 Å²	123.8	82%	0.821	79%	0.794	S	S	*	*			trans	-146.2	144.2	160.6	-59.1	-173.3	0	0	0	111.3
576	S	32.6	Very low	35.8	Very low	102 Å²	102	124.3 Å²	124.3	71%	0.713	79%	0.792	S	S	*	*			trans	-41.9	165.5	176	-34.8	0	0	0	0	117.7
577	S	32.8	Very low	34.9	Very low	117 Å²	117	128.3 Å²	128.3	82%	0.818	80%	0.798	S	S	*	*			cis	-150.3	179.7	14.8	-39.9	0	0	0	0	109.6
578	S	34.2	Very low	35.7	Very low	123 Å²	123	127.3 Å²	127.3	86%	0.86	80%	0.795	S	S	*	*			cis	-146.1	-156.6	0.8	67.7	0	0	0	0	107.8
579	G	30.5	Very low	35.8	Very low	70 Å²	70	134.5 Å²	134.5	72%	0.722	80%	0.802	S	S	*	*			cis	163.9	158.6	1.4	0	0	0	0	0	111.3
580	G	30.4	Very low	35.7	Very low	85 Å²	85	132.2 Å²	132.2	88%	0.876	80%	0.797	S	S	*	*			trans	95.9	114.6	175.3	0	0	0	0	0	115.9
581	A	33.7	Very low	35	Very low	98 Å²	98	132.9 Å²	132.9	81%	0.81	80%	0.798	S	S	*	*			trans	-158.9	-179.3	-179.7	0	0	0	0	0	107.9
582	P	57.7	Low	34.8	Very low	120 Å²	120	131.9 Å²	131.9	78%	0.779	79%	0.791	S	S	*	*			cis	-133.1	-161.4	18.4	48.8	-31.1	0	0	0	112.5
583	D	33	Very low	34.6	Very low	111 Å²	111	132.3 Å²	132.3	59%	0.594	79%	0.789	S	S	*	*			cis	-138.5	-81.4	-3.9	-158.5	34.9	0	0	0	112.8
584	R	36.8	Very low	34.5	Very low	193 Å²	193	134 Å²	134	73%	0.728	79%	0.787	S	S	*	*			trans	-159	168.1	-145.7	-79.2	-175.1	-170.5	127.1	-13.9	112.2
585	T	35.1	Very low	34.3	Very low	116 Å²	116	131.6 Å²	131.6	71%	0.712	78%	0.782	S	S	*	*			cis	-154.2	144	42.9	42.5	0	0	0	0	116.3
586	N	32.3	Very low	34.1	Very low	147 Å²	147	130.8 Å²	130.8	79%	0.786	79%	0.785	S	S	*	*			trans	67.4	162.4	138.4	-62.3	-5.1	0	0	0	123.6
587	F	33.4	Very low	33.8	Very low	199 Å²	199	134.7 Å²	134.7	87%	0.873	79%	0.789	S	S	*	*			trans	-127.9	165.6	-161.6	-100.6	-70.3	0	0	0	109
588	P	46.6	Very low	33.6	Very low	125 Å²	125	138.1 Å²	138.1	81%	0.812	79%	0.792	S	S	*	*				-154.2	-169.7	68.4	42.5	-19.5	0	0	0	118.6
589	R	34.4	Very low	33.4	Very low	244 Å²	244	136.8 Å²	136.8	92%	0.921	79%	0.788	S	S	*	*			trans	-74.1	156.2	-164.7	-52.8	162.4	-179.1	142.1	-1.9	115.3
590	G	31	Very low	33.4	Very low	70 Å²	70	136.9 Å²	136.9	72%	0.722	79%	0.789	S	S	*	*			trans	-165.4	140.5	157.4	0	0	0	0	0	110.5
591	V	30.8	Very low	33.4	Very low	143 Å²	143	141.3 Å²	141.3	87%	0.867	79%	0.787	S	S	*	*			trans	-146.2	148.8	-169.5	-79.8	0	0	0	0	115.6
592	S	29.8	Very low	33.3	Very low	105 Å²	105	143.1 Å²	143.1	73%	0.734	78%	0.782	S	S	*	*			trans	88	112.1	146.3	-133.8	0	0	0	0	121.7
593	S	30.6	Very low	31.9	Very low	95 Å²	95	147.4 Å²	147.4	66%	0.664	78%	0.783	S	S	*	*				94.2	131	118.9	-74.3	0	0	0	0	124
594	R	31.5	Very low	31.7	Very low	239 Å²	239	150.3 Å²	150.3	90%	0.902	79%	0.793	S	S	*	*			trans	66	129.6	151	-66.8	178	173	-165.6	-3.4	117.4
595	S	29.9	Very low	31.3	Very low	101 Å²	101	147.2 Å²	147.2	71%	0.706	80%	0.795	S	S	*	*			cis	91.4	116.2	36.4	-177.4	0	0	0	0	114.2
596	T	28.2	Very low	31	Very low	143 Å²	143	151.5 Å²	151.5	88%	0.877	80%	0.798	S	S	*	*			trans	-161.8	161.6	140.8	11.9	0	0	0	0	113.2
597	F	27.5	Very low	31	Very low	184 Å²	184	148.9 Å²	148.9	81%	0.807	79%	0.785	S	S	*	*			trans	-79.7	162.2	177.8	-86.6	-123.4	0	0	0	113.2
598	H	28.9	Very low	31	Very low	190 Å²	190	146.4 Å²	146.4	88%	0.88	78%	0.775	S	S	*	*				-166.3	164.5	108.4	-114.4	-81.8	0	0	0	114.1
599	A	29.2	Very low	30.3	Very low	94 Å²	94	147.5 Å²	147.5	78%	0.777	77%	0.77	S	S	*	*			trans	-140.9	154.5	180	0	0	0	0	0	112.4
600	G	29.8	Very low	30	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	76%	0.756	S	S	*	*			trans	106.9	167.9	171.2	0	0	0	0	0	115.6
601	Q	31.5	Very low	30.2	Very low	178 Å²	178	145 Å²	145	83%	0.832	76%	0.758	S	S	*	*			cis	-176.8	151.2	-16.1	165	153.6	-5.8	0	0	110
602	L	31	Very low	31.1	Very low	136 Å²	136	142.6 Å²	142.6	71%	0.712	75%	0.745	S	S	*	*			trans	100.2	128.8	164.9	-64.6	138.5	0	0	0	123
603	R	28.2	Very low	31.2	Very low	210 Å²	210	148.5 Å²	148.5	79%	0.792	75%	0.752	S	S	*	*			trans	69.2	114.1	135.5	-70.6	178.4	-177.2	-165.8	1.1	124.8
604	Q	29.2	Very low	31.2	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	76%	0.756	S	S	*	*				24.5	133.8	127.4	-58.3	176.3	-53.2	0	0	121.7
605	V	28	Very low	31.2	Very low	128 Å²	128	142.6 Å²	142.6	78%	0.776	75%	0.753	S	S	*	*				172.4	146.4	108.9	153.8	0	0	0	0	111.9
606	R	29.3	Very low	31.1	Very low	205 Å²	205	143.9 Å²	143.9	77%	0.774	76%	0.757	S	S	*	*			trans	5.1	159.7	154.6	-60.1	178.4	85.5	146.1	6.3	121.4
607	D	33.4	Very low	32.7	Very low	93 Å²	93	142.8 Å²	142.8	50%	0.497	75%	0.752	S	S	.	*			cis	-164.2	162.1	1.5	-119.6	-5.6	0	0	0	111.9
608	Q	32	Very low	32.8	Very low	146 Å²	146	138.7 Å²	138.7	68%	0.682	75%	0.752	S	S	*	*			trans	64.8	154.1	150.3	-68.9	171	61.8	0	0	119.2
609	Q	33.2	Very low	33	Very low	149 Å²	149	135.3 Å²	135.3	70%	0.696	75%	0.75	S	S	*	*			cis	-137.9	-168.9	5.1	-123.3	156.8	50.2	0	0	108.1
610	N	27.8	Very low	33.7	Very low	118 Å²	118	137.2 Å²	137.2	63%	0.631	75%	0.754	S	S	*	*			cis	-148.7	153.4	14.2	-107.7	-24.4	0	0	0	108.1
611	L	33.6	Very low	33.9	Very low	144 Å²	144	139.7 Å²	139.7	75%	0.754	76%	0.76	S	S	*	*				71.8	142.1	69.1	-70.3	-174	0	0	0	116.8
612	P	50.4	Low	33.7	Very low	92 Å²	92	134.9 Å²	134.9	60%	0.597	76%	0.758	S	S	*	*			cis	-143.5	176	-9	39.6	-19.7	0	0	0	118.7
613	Y	31.6	Very low	33.7	Very low	228 Å²	228	137.7 Å²	137.7	89%	0.894	77%	0.768	S	S	*	*			trans	61.2	158.4	164.1	-58.1	-62.4	0	0	0	119.1
614	G	30.8	Very low	33.9	Very low	71 Å²	71	133 Å²	133	73%	0.732	77%	0.767	S	S	*	*			cis	153.5	161.2	0.1	0	0	0	0	0	109.3
615	V	30.9	Very low	34.2	Very low	139 Å²	139	134.1 Å²	134.1	84%	0.842	77%	0.772	S	S	*	*			cis	-150.5	-178.4	-6.1	-173.4	0	0	0	0	107.7
616	T	29.1	Very low	34.3	Very low	128 Å²	128	131.9 Å²	131.9	79%	0.785	78%	0.775	S	S	*	*			trans	-128.7	-166	-175	52	0	0	0	0	112.7
617	P	61.8	Low	34.4	Very low	120 Å²	120	132.3 Å²	132.3	78%	0.779	78%	0.777	S	S	*	*				-127.2	-177.4	-64.8	37.9	-22.3	0	0	0	113.8
618	A	29.6	Very low	34.5	Very low	99 Å²	99	138.7 Å²	138.7	82%	0.818	79%	0.794	S	S	*	*			trans	-147.8	162.4	160.5	0	0	0	0	0	112.2
619	S	32	Very low	34.4	Very low	118 Å²	118	135.5 Å²	135.5	83%	0.825	80%	0.801	S	S	*	*			trans	-134	161.7	176.2	-57.4	0	0	0	0	110.7
620	P	45.7	Very low	34.3	Very low	134 Å²	134	133.5 Å²	133.5	87%	0.87	81%	0.81	S	S	*	*				-143.5	179.3	109.8	38.9	-25.2	0	0	0	114.7
621	S	32	Very low	34.5	Very low	124 Å²	124	134 Å²	134	87%	0.867	82%	0.822	S	S	*	*			trans	-90.2	149	-175.3	51.4	0	0	0	0	114.9
622	G	27.6	Very low	34.4	Very low	77 Å²	77	130.7 Å²	130.7	79%	0.794	82%	0.823	S	S	*	*			trans	-158.3	161.3	171.6	0	0	0	0	0	112.2
623	H	31.1	Very low	33.6	Very low	195 Å²	195	132.3 Å²	132.3	90%	0.903	84%	0.837	S	S	*	*			trans	-111.9	160	-163.9	-113.5	8.9	0	0	0	115.6
624	S	33	Very low	33.8	Very low	111 Å²	111	127.7 Å²	127.7	78%	0.776	83%	0.826	S	S	*	*			trans	94.6	121.4	149.6	78.3	0	0	0	0	122.1
625	Q	35	Very low	33.8	Very low	197 Å²	197	132.9 Å²	132.9	92%	0.921	83%	0.829	S	S	*	*			trans	39.5	115.8	147.9	-54.1	-145.3	34.7	0	0	122.8
626	G	29.7	Very low	33.7	Very low	82 Å²	82	131.7 Å²	131.7	85%	0.845	83%	0.827	S	S	*	*			trans	-163.6	134.3	156.3	0	0	0	0	0	110.8
627	R	33.3	Very low	34.2	Very low	214 Å²	214	134.6 Å²	134.6	81%	0.808	83%	0.828	S	S	*	*			trans	-105.3	128.6	-169.2	-90.1	-175.9	174.1	178.4	0.4	114.3
628	R	34.4	Very low	32.7	Very low	226 Å²	226	138.7 Å²	138.7	85%	0.853	83%	0.834	S	S	*	*			trans	63.8	141.1	148.2	-58.8	173.1	179.9	177.1	-2.4	117.3
629	G	29.7	Very low	32.8	Very low	80 Å²	80	140.2 Å²	140.2	83%	0.825	83%	0.834	S	S	*	*			cis	169.9	162	-6.6	0	0	0	0	0	113.3
630	A	30.7	Very low	32.7	Very low	107 Å²	107	140 Å²	140	88%	0.884	83%	0.833	S	S	*	*			trans	-142.8	155	171.5	0	0	0	0	0	109.7
631	S	33.1	Very low	32.2	Very low	127 Å²	127	142.5 Å²	142.5	89%	0.888	83%	0.83	S	S	*	*			trans	-148	120	-178.6	58	0	0	0	0	111.2
632	G	31.3	Very low	32.1	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	83%	0.833	S	S	*	*			trans	-112.1	176.4	177.7	0	0	0	0	0	113.7
633	S	33.8	Very low	32.1	Very low	125 Å²	125	149.2 Å²	149.2	87%	0.874	83%	0.832	S	S	*	*			trans	-60.2	141.8	-172.2	-175.2	0	0	0	0	117.2
634	I	35.2	Very low	32.2	Very low	131 Å²	131	151.2 Å²	151.2	67%	0.672	83%	0.832	S	S	*	*			trans	-162.5	156.5	162.8	34.8	171.3	0	0	0	107.2
635	F	30.7	Very low	32.1	Very low	180 Å²	180	158.1 Å²	158.1	79%	0.789	84%	0.84	S	S	*	*			cis	-117.5	174.9	1	-80	-64.1	0	0	0	110
636	S	29.3	Very low	31.7	Very low	114 Å²	114	156 Å²	156	80%	0.797	84%	0.836	S	S	*	*			cis	81.3	150.8	37.4	-147.6	0	0	0	0	116.8
637	K	39.7	Very low	31.8	Very low	190 Å²	190	159.3 Å²	159.3	83%	0.826	83%	0.833	S	S	*	*			trans	-92.9	155.5	-155.2	-53.4	168.2	-176.5	170.5	0	114
638	F	29.6	Very low	31.4	Very low	205 Å²	205	153.8 Å²	153.8	90%	0.899	83%	0.827	S	S	*	*			trans	-151.1	152.5	139.9	-126.8	-83.7	0	0	0	112.4
639	T	32.6	Very low	31.1	Very low	131 Å²	131	152.5 Å²	152.5	80%	0.804	83%	0.828	S	S	*	*			trans	-130.1	140.6	170.7	52.3	0	0	0	0	109.5
640	S	30.1	Very low	31.1	Very low	115 Å²	115	159.9 Å²	159.9	80%	0.804	83%	0.831	S	S	*	*			trans	-150.7	159.1	168.6	-164.9	0	0	0	0	111.6
641	K	34.3	Very low	30.9	Very low	186 Å²	186	164.7 Å²	164.7	81%	0.809	83%	0.832	S	S	*	*			trans	-100.5	142.7	-174.4	-56.7	168	-175.4	171.4	0	109.2
642	F	29.5	Very low	30.6	Very low	214 Å²	214	163.4 Å²	163.4	94%	0.939	83%	0.829	S	S	*	*			trans	-118.9	132.6	156.6	-96.6	-84.8	0	0	0	111.1
643	V	28.9	Very low	30.6	Very low	127 Å²	127	170.8 Å²	170.8	77%	0.77	83%	0.834	S	S	*	*			trans	-101.3	144.9	-174.5	173.4	0	0	0	0	109.1	R645	V643-R645 PolarHBondContact O-N 3.22Å
644	R	33.6	Very low	30.3	Very low	238 Å²	238	176.8 Å²	176.8	90%	0.898	84%	0.837	S	S	*	*			trans	-54	129.1	174.1	-65.8	175	175	168.9	-3.2	111
645	R	30.2	Very low	29.9	Very low	255 Å²	255	177.2 Å²	177.2	96%	0.962	84%	0.841	S	S	*	*			trans	-124.5	142	148.3	-107.5	-176.8	171.7	115.5	-1.8	108.8	V643	V643-R645 PolarHBondContact O-N 3.22Å
646	N	26.7	Very low	29.9	Very low	154 Å²	154	176.2 Å²	176.2	82%	0.824	84%	0.843	S	S	*	*			trans	-129.3	123.9	-176.1	-172.9	15.9	0	0	0	106.4
647	L	30.8	Very low	29.7	Very low	151 Å²	151	178.6 Å²	178.6	79%	0.791	85%	0.847	S	S	*	*			trans	-145	127.4	174.2	-151.9	75.5	0	0	0	109	F649	L647-F649 HydrophobicContact CD2-CE2 4.07Å
648	S	25.9	Very low	29	Very low	97 Å²	97	178.1 Å²	178.1	68%	0.678	85%	0.848	S	S	*	*			trans	-98.6	149.2	178.6	53.2	0	0	0	0	110.5
649	F	28.1	Very low	29.3	Very low	199 Å²	199	173.9 Å²	173.9	87%	0.873	84%	0.841	S	S	*	*			trans	-124.2	145.1	155.3	-84.8	-79.6	0	0	0	110.1	L647	L647-F649 HydrophobicContact CD2-CE2 4.07Å
650	R	28.3	Very low	29.3	Very low	236 Å²	236	175.6 Å²	175.6	89%	0.891	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-97.2	158.7	-178.3	-73.3	176.3	169.1	170	-5.4	110.1
651	F	28.5	Very low	29.2	Very low	207 Å²	207	175.8 Å²	175.8	91%	0.908	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-56.2	142.5	170.7	-72.4	-96.8	0	0	0	112.5
652	A	26.8	Very low	29.1	Very low	100 Å²	100	175.8 Å²	175.8	83%	0.826	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-96.9	145	146.4	0	0	0	0	0	108.5
653	R	29.3	Very low	29.2	Very low	231 Å²	231	173.7 Å²	173.7	87%	0.872	84%	0.839	S	S	*	*			trans	-146.7	120	179.2	-161.6	-175.4	-165.3	-153.5	3.9	109.6
654	R	27.8	Very low	29.3	Very low	251 Å²	251	176.7 Å²	176.7	95%	0.947	84%	0.837	S	S	*	*			trans	-149.4	159.7	164.3	-116.3	176.2	-178.7	160	1	109.3
655	N	27.1	Very low	29.2	Very low	141 Å²	141	172.5 Å²	172.5	75%	0.754	84%	0.837	S	S	*	*			trans	-100.9	150.2	-162.3	-64.7	-13.7	0	0	0	112.9
656	L	30.1	Very low	29.1	Very low	159 Å²	159	165.6 Å²	165.6	83%	0.832	82%	0.816	S	S	*	*			trans	24.5	121.2	130.9	-161.7	74.6	0	0	0	118.6
657	N	25.9	Very low	29.3	Very low	164 Å²	164	164.9 Å²	164.9	88%	0.877	82%	0.817	S	S	*	*			trans	-155.6	152.2	139	-99	-9.2	0	0	0	108.7
658	E	26	Very low	29.3	Very low	180 Å²	180	163 Å²	163	84%	0.841	81%	0.808	S	S	*	*			trans	-86.7	178	172.8	-103.1	-168	147.7	0	0	111.3
659	P	34.5	Very low	29.6	Very low	116 Å²	116	168.5 Å²	168.5	75%	0.753	81%	0.813	S	S	*	*			cis	-136.1	-157.8	20.1	44.1	-24.8	0	0	0	116
660	E	32.5	Very low	30.1	Very low	167 Å²	167	164.6 Å²	164.6	78%	0.78	81%	0.808	S	S	*	*			trans	-53.8	150.8	-179.1	-53.4	175.7	90.8	0	0	116.7
661	S	29.4	Very low	30	Very low	119 Å²	119	161.7 Å²	161.7	83%	0.832	80%	0.804	S	S	*	*			trans	-154.3	136.7	133.2	62.1	0	0	0	0	111
662	K	31.2	Very low	30.2	Very low	186 Å²	186	158.5 Å²	158.5	81%	0.809	80%	0.801	S	S	*	*			trans	-73.5	150.5	174.6	-62.5	156.6	-175.7	159	0	110.3
663	D	31.1	Very low	30.4	Very low	169 Å²	169	160.4 Å²	160.4	90%	0.904	80%	0.802	S	S	*	*				-149.9	158.4	126.6	-133	-30.3	0	0	0	112.7
664	R	31	Very low	30.3	Very low	190 Å²	190	152.6 Å²	152.6	72%	0.717	79%	0.794	S	S	*	*			trans	-139.8	116.4	-165.3	175.1	-171.5	178.3	-175.2	2	111.6	E666	R664-E666 IonicContact CZ-OE2 3.78Å; R664-E666 IonicContact NE-OE2 3.86Å; R664-E666 PolarHBondContact NE-OE2 3.01Å; R664-E666 IonicContact NH2-OE1 2.68Å; R664-E666 IonicContact NH2-OE2 3.48Å; R664-E666 PolarHBondContact NH2-OE2 3.48Å
665	V	33	Very low	30.4	Very low	150 Å²	150	146.3 Å²	146.3	91%	0.909	79%	0.789	S	S	*	*			trans	-125.5	134.5	157.4	-176.6	0	0	0	0	108.3
666	E	28.2	Very low	30.8	Very low	111 Å²	111	143.6 Å²	143.6	52%	0.519	79%	0.793	S	S	.	*			trans	-134.9	124.9	-162	176.7	179.9	158.5	0	0	109.6	R664	R664-E666 IonicContact CZ-OE2 3.78Å; R664-E666 IonicContact NE-OE2 3.86Å; R664-E666 PolarHBondContact NE-OE2 3.01Å; R664-E666 IonicContact NH2-OE1 2.68Å; R664-E666 IonicContact NH2-OE2 3.48Å; R664-E666 PolarHBondContact NH2-OE2 3.48Å
667	T	30.6	Very low	31.1	Very low	139 Å²	139	140.5 Å²	140.5	85%	0.853	78%	0.781	S	S	*	*			trans	-129.6	109	174.6	-38.3	0	0	0	0	110.6
668	L	30.4	Very low	31.8	Very low	112 Å²	112	137.6 Å²	137.6	59%	0.586	77%	0.765	S	S	*	*			trans	-59.3	157.8	172.6	-60.7	160	0	0	0	110.1
669	R	32.4	Very low	32.6	Very low	212 Å²	212	133.9 Å²	133.9	80%	0.8	75%	0.752	S	S	*	*			cis	-169.5	-171.3	6.3	-115.9	171.8	-170.4	170.9	6.4	106.3
670	P	38.1	Very low	32.8	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	75%	0.752	S	S	*	*			cis	-122.7	170.2	-1.1	39.8	-25	0	0	0	115.1
671	H	27.2	Very low	33.4	Very low	175 Å²	175	134.4 Å²	134.4	81%	0.81	74%	0.741	S	S	*	*			trans	-80.4	149.2	169.2	-80	-99.8	0	0	0	112.5
672	V	30.9	Very low	34	Very low	141 Å²	141	133.4 Å²	133.4	86%	0.855	72%	0.722	S	S	*	*			trans	-117.8	137.3	146.7	177.8	0	0	0	0	106.9
673	V	32.2	Very low	34.4	Very low	139 Å²	139	130.5 Å²	130.5	84%	0.842	71%	0.711	S	S	*	*			trans	-95	129.1	-176.4	-179.9	0	0	0	0	109.8
674	G	27.9	Very low	35.1	Very low	68 Å²	68	130.2 Å²	130.2	70%	0.701	70%	0.704	S	S	*	*			trans	-155.2	127	176.9	0	0	0	0	0	111
675	S	29.8	Very low	35.8	Very low	119 Å²	119	127 Å²	127	83%	0.832	70%	0.696	S	S	*	*			trans	-51.6	144.8	-166.3	-55	0	0	0	0	115.9
676	G	35.3	Very low	36.5	Very low	83 Å²	83	128.6 Å²	128.6	86%	0.856	69%	0.685	S	S	*	*			trans	-64.5	143.4	176.3	0	0	0	0	0	113.5
677	V	35.5	Very low	37.6	Very low	94 Å²	94	129.7 Å²	129.7	57%	0.57	69%	0.69	S	S	*	*			trans	-129.2	136.5	174.5	175.4	0	0	0	0	107.3	D679	V677-D679 PolarHBondContact O-N 2.78Å; V677-D679 VanDerWaalsContact O-N 3.08Å
678	N	39.9	Very low	39.5	Very low	103 Å²	103	125.2 Å²	125.2	55%	0.551	67%	0.668	S	S	*	*			trans	-38.1	106.9	-173.6	-73	-23.4	0	0	0	114.2	K680 E681	N678-K680 PolarHBondContact O-N 3.2Å; N678-E681 HydrophobicContact CB-CB 4.45Å; N678-E681 HydrophobicContact CB-CG 4.25Å; N678-E681 PolarHBondContact ND2-OE1 2.96Å; N678-E681 PolarHBondContact O-N 2.94Å
679	D	43.3	Very low	42	Very low	103 Å²	103	126.6 Å²	126.6	55%	0.551	67%	0.669	S	S	*	*	H	α-helix	trans	-66.2	-23.2	176.4	-76.7	-55.1	0	0	0	112.9	V677 E681 K682 E683	V677-D679 PolarHBondContact O-N 2.78Å; V677-D679 VanDerWaalsContact O-N 3.08Å; D679-E681 PolarHBondContact O-N 3.43Å; D679-K682 CarbonylContact O-C 3.08Å; D679-K682 WeakPolarHBondContact O-CA 3.5Å; D679-K682 WeakPolarHBondContact O-CB 3.12Å; D679-K682 PolarHBondContact O-N 3.23Å; D679-K682 VanDerWaalsContact O-N 3.12Å; D679-E683 PolarHBondContact O-N 3.48Å
680	K	39.9	Very low	44.7	Very low	174 Å²	174	117.6 Å²	117.6	76%	0.757	64%	0.638	S	S	*	*	H	α-helix	trans	-62.3	-39.6	176.4	-68	-167.7	173.3	-170.7	0	113.5	N678 K682 E683 E684	N678-K680 PolarHBondContact O-N 3.2Å; K680-K682 VanDerWaalsContact C-N 3.3Å; K680-E683 PolarHBondContact O-N 2.79Å; K680-E684 PolarHBondContact O-N 2.81Å
681	E	43.4	Very low	47.1	Very low	120 Å²	120	116.3 Å²	116.3	56%	0.561	62%	0.618	S	S	*	*	H	α-helix	trans	-69.1	-32.5	175.6	-70.7	159.8	-165	0	0	110.8	N678 D679 F685	N678-E681 HydrophobicContact CB-CB 4.45Å; N678-E681 HydrophobicContact CB-CG 4.25Å; N678-E681 PolarHBondContact ND2-OE1 2.96Å; N678-E681 PolarHBondContact O-N 2.94Å; D679-E681 PolarHBondContact O-N 3.43Å; E681-F685 PolarHBondContact O-N 2.95Å
682	K	43.3	Very low	49.8	Very low	98 Å²	98	111.6 Å²	111.6	43%	0.426	61%	0.605	S	S	.	*	H	α-helix	trans	-70.7	-34.2	171.8	-76	173.3	-179	158.7	0	113.1	D679 K680 R686	D679-K682 CarbonylContact O-C 3.08Å; D679-K682 WeakPolarHBondContact O-CA 3.5Å; D679-K682 WeakPolarHBondContact O-CB 3.12Å; D679-K682 PolarHBondContact O-N 3.23Å; D679-K682 VanDerWaalsContact O-N 3.12Å; K680-K682 VanDerWaalsContact C-N 3.3Å; K682-R686 WeakPolarHBondContact O-CB 3.47Å; K682-R686 WeakPolarHBondContact O-CD 3.5Å; K682-R686 WeakPolarHBondContact O-CG 3.33Å; K682-R686 PolarHBondContact O-N 3.06Å
683	E	39.1	Very low	52.1	Low	125 Å²	125	107 Å²	107	58%	0.584	58%	0.575	S	S	*	*	H	α-helix	trans	-68.2	-44.3	178.2	-75.3	-167.4	128.1	0	0	112.2	D679 K680 F685 R686 E687	D679-E683 PolarHBondContact O-N 3.48Å; K680-E683 PolarHBondContact O-N 2.79Å; E683-F685 VanDerWaalsContact C-N 3.32Å; E683-F685 PolarHBondContact O-N 3.31Å; E683-R686 WeakPolarHBondContact O-CA 3.45Å; E683-R686 WeakPolarHBondContact O-CB 3.28Å; E683-R686 PolarHBondContact O-N 3.11Å; E683-E687 PolarHBondContact O-N 3.48Å
684	E	45.8	Very low	54	Low	163 Å²	163	106.9 Å²	106.9	76%	0.762	56%	0.56	S	S	*	*	H	α-helix	trans	-63.6	-40	176.9	-164.5	164.5	-140.8	0	0	111.3	K680 R686 E687 A688	K680-E684 PolarHBondContact O-N 2.81Å; E684-R686 VanDerWaalsContact C-N 3.32Å; E684-R686 PolarHBondContact O-N 3.02Å; E684-E687 PolarHBondContact O-N 2.96Å; E684-A688 PolarHBondContact O-N 3.12Å
685	F	46.6	Very low	56.2	Low	121 Å²	121	104.3 Å²	104.3	53%	0.531	53%	0.529	S	S	.	.	H	α-helix	trans	-65.9	-31	171.5	-136.2	-91	0	0	0	112.8	E681 E683 K730	E681-F685 PolarHBondContact O-N 2.95Å; E683-F685 VanDerWaalsContact C-N 3.32Å; E683-F685 PolarHBondContact O-N 3.31Å; F685-K730 HydrophobicContact CD1-CB 4.44Å; F685-K730 HydrophobicContact CE1-CB 3.95Å; F685-K730 HydrophobicContact CE1-CG 4.32Å; F685-K730 HydrophobicContact CZ-CB 4.35Å; F685-K730 VanDerWaalsContact O-CD 3.28Å; F685-K730 WeakPolarHBondContact O-CD 3.24Å; F685-K730 WeakPolarHBondContact O-CE 3.17Å; F685-K730 PolarHBondContact O-NZ 2.68Å
686	R	47.3	Very low	58	Low	184 Å²	184	99.8 Å²	99.8	69%	0.694	50%	0.496	S	S	*	.	H	α-helix	trans	-70.4	-36.3	175.4	-81.5	166.6	174.8	-174.1	-1.1	112.8	K682 E683 E684 K730	K682-R686 WeakPolarHBondContact O-CB 3.47Å; K682-R686 WeakPolarHBondContact O-CD 3.5Å; K682-R686 WeakPolarHBondContact O-CG 3.33Å; K682-R686 PolarHBondContact O-N 3.06Å; E683-R686 WeakPolarHBondContact O-CA 3.45Å; E683-R686 WeakPolarHBondContact O-CB 3.28Å; E683-R686 PolarHBondContact O-N 3.11Å; E684-R686 VanDerWaalsContact C-N 3.32Å; E684-R686 PolarHBondContact O-N 3.02Å; R686-K730 VanDerWaalsContact C-NZ 3.25Å; R686-K730 PolarHBondContact O-NZ 3.03Å
687	E	51.7	Low	60	Low	134 Å²	134	100.5 Å²	100.5	63%	0.626	47%	0.473	S	S	*	.	H	α-helix	trans	-94.4	-13.4	-174.9	-129.3	-145.4	138.4	0	0	116.3	E683 E684 K689	E683-E687 PolarHBondContact O-N 3.48Å; E684-E687 PolarHBondContact O-N 2.96Å; E687-K689 PolarHBondContact O-N 2.92Å; E687-K689 IonicContact OE1-NZ 3.9Å; E687-K689 PolarHBondContact OE1-NZ 3.05Å
688	A	69.1	Low	62	Low	45 Å²	45	96.7 Å²	96.7	37%	0.372	45%	0.451	S	S	.	.			trans	-51.8	134.7	175	0	0	0	0	0	112.3	E684 K730 Y731	E684-A688 PolarHBondContact O-N 3.12Å; A688-K730 HydrophobicContact CB-CD 3.92Å; A688-K730 PolarHBondContact O-NZ 3.01Å; A688-Y731 VanDerWaalsContact O-CE2 3.32Å; A688-Y731 WeakPolarHBondContact O-CE2 3.49Å; A688-Y731 PolarHBondContact O-OH 2.78Å
689	K	84.1	Confident	63.9	Low	142 Å²	142	99.9 Å²	99.9	62%	0.617	47%	0.465	S	S	*	.			trans	-113.2	156.5	-174.9	-74	146.4	-169.2	150.6	0	110.7	E687 R691	E687-K689 PolarHBondContact O-N 2.92Å; E687-K689 IonicContact OE1-NZ 3.9Å; E687-K689 PolarHBondContact OE1-NZ 3.05Å; K689-R691 PolarHBondContact O-N 2.77Å
690	P	87.9	Confident	65.8	Low	23 Å²	23	101.4 Å²	101.4	15%	0.149	47%	0.466	C	S	.	.			trans	-55.2	137	174.6	-25.4	34	0	0	0	112	P707 Y731 V752 K754	P690-P707 HydrophobicContact CG-CB 3.63Å; P690-P707 HydrophobicContact CG-CG 3.32Å; P690-Y731 HydrophobicContact CB-CD2 4.43Å; P690-Y731 HydrophobicContact CG-CD2 4.07Å; P690-Y731 HydrophobicContact CG-CE2 4.01Å; P690-Y731 HydrophobicContact CG-CG 4.43Å; P690-V752 WeakPolarHBondContact CB-O 3.42Å; P690-K754 HydrophobicContact CB-CB 4.36Å
691	R	88.4	Confident	68	Low	89 Å²	89	93.3 Å²	93.3	34%	0.336	43%	0.431	S	S	.	.			trans	-69.2	137.8	179.1	-58.4	-167.5	-58.8	-154	6.8	110	K689 L693 E729 E751 C753 K754	K689-R691 PolarHBondContact O-N 2.77Å; R691-L693 HydrophobicContact CB-CD1 4.49Å; R691-L693 HydrophobicContact CB-CD2 4.32Å; R691-L693 HydrophobicContact CB-CG 4.05Å; R691-L693 PolarHBondContact O-N 3.05Å; R691-E729 IonicContact CZ-OE1 3.52Å; R691-E729 IonicContact CZ-OE2 2.68Å; R691-E729 VanDerWaalsContact NH1-CD 3.34Å; R691-E729 IonicContact NH1-OE1 2.65Å; R691-E729 PolarHBondContact NH1-OE1 3.29Å; R691-E729 IonicContact NH1-OE2 3.1Å; R691-E729 PolarHBondContact NH1-OE2 2.74Å; R691-E729 IonicContact NH2-OE1 2.68Å; R691-E751 IonicContact CZ-OE1 3.2Å; R691-E751 IonicContact CZ-OE2 3.19Å; R691-E751 IonicContact NE-OE1 3.25Å; R691-E751 PolarHBondContact NE-OE1 3.41Å; R691-E751 IonicContact NH2-OE1 2.94Å; R691-E751 PolarHBondContact NH2-OE1 3.08Å; R691-E751 IonicContact NH2-OE2 2.67Å; R691-E751 PolarHBondContact NH2-OE2 2.94Å; R691-C753 CarbonylContact O-C 3.37Å; R691-C753 WeakPolarHBondContact O-CA 3.44Å; R691-K754 PolarHBondContact O-N 2.92Å
692	S	84.9	Confident	70.2	Confident	76 Å²	76	88.6 Å²	88.6	53%	0.531	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-84.4	93	177	175.4	0	0	0	0	109.2	K754	S692-K754 WeakPolarHBondContact CA-O 3.21Å
693	L	78.3	Confident	72.5	Confident	44 Å²	44	84.4 Å²	84.4	23%	0.23	39%	0.394	C	S	.	.			trans	-112.3	141.5	-175.4	-61.7	-174.6	0	0	0	112	R691 F695 E751 C753 K754 P756	R691-L693 HydrophobicContact CB-CD1 4.49Å; R691-L693 HydrophobicContact CB-CD2 4.32Å; R691-L693 HydrophobicContact CB-CG 4.05Å; R691-L693 PolarHBondContact O-N 3.05Å; L693-F695 HydrophobicContact CB-CD1 4.22Å; L693-F695 WeakPolarHBondContact O-CD1 3.19Å; L693-E751 WeakPolarHBondContact CD1-OE1 3.4Å; L693-C753 HydrophobicContact CB-CB 4.47Å; L693-K754 PolarHBondContact N-O 3.14Å; L693-P756 WeakPolarHBondContact O-CD 3.49Å
694	R	71.6	Confident	74.9	Confident	136 Å²	136	83.6 Å²	83.6	51%	0.513	40%	0.402	S	S	.	.			trans	-87.5	109.6	166.9	-177.4	174.2	173.3	-166.3	-7.4	108.7	A185 D186	A185-R694 WeakPolarHBondContact O-CD 3.32Å; A185-R694 PolarHBondContact O-NE 2.65Å; A185-R694 PolarHBondContact O-NH1 2.67Å; D186-R694 IonicContact OD1-CZ 2.76Å; D186-R694 IonicContact OD1-NH1 2.76Å; D186-R694 PolarHBondContact OD1-NH1 2.79Å; D186-R694 IonicContact OD1-NH2 3.14Å; D186-R694 PolarHBondContact OD1-NH2 3.46Å
695	F	74.4	Confident	77.1	Confident	15 Å²	15	78.1 Å²	78.1	7%	0.066	38%	0.377	C	S	.	.			trans	-148.8	176.2	178.7	73.7	-80.2	0	0	0	111.4	L693 W697 C753 L755 R764	L693-F695 HydrophobicContact CB-CD1 4.22Å; L693-F695 WeakPolarHBondContact O-CD1 3.19Å; F695-W697 HydrophobicContact CD2-CB 4.46Å; F695-W697 HydrophobicContact CE2-CB 3.84Å; F695-W697 HydrophobicContact CZ-CB 3.88Å; F695-W697 PolarHBondContact O-N 2.65Å; F695-C753 HydrophobicContact CD1-CB 4.26Å; F695-C753 HydrophobicContact CE1-CB 3.49Å; F695-C753 VanDerWaalsContact CE1-CB 3.49Å; F695-C753 HydrophobicContact CZ-CB 4.11Å; F695-L755 HydrophobicContact CD1-CD2 4.44Å; F695-L755 HydrophobicContact CE1-CD2 3.47Å; F695-L755 VanDerWaalsContact CE1-CD2 3.47Å; F695-L755 HydrophobicContact CZ-CD2 3.71Å; F695-R764 HydrophobicContact CD2-CB 3.78Å; F695-R764 HydrophobicContact CD2-CG 3.78Å; F695-R764 HydrophobicContact CE1-CB 4.39Å; F695-R764 HydrophobicContact CE2-CB 3.61Å; F695-R764 HydrophobicContact CE2-CG 4.14Å; F695-R764 HydrophobicContact CG-CB 4.25Å; F695-R764 HydrophobicContact CG-CG 4.12Å; F695-R764 HydrophobicContact CZ-CB 3.93Å
696	T	68.8	Low	79.3	Confident	23 Å²	23	77.5 Å²	77.5	14%	0.141	38%	0.376	C	S	.	.			trans	-72.6	76.8	175.3	43.9	0	0	0	0	112.5	Y140 M187	Y140-T696 HydrophobicContact CD2-CG2 3.45Å; Y140-T696 VanDerWaalsContact CD2-CG2 3.45Å; Y140-T696 HydrophobicContact CE2-CG2 4.18Å; Y140-T696 HydrophobicContact CG-CG2 4.09Å; M187-T696 HydrophobicContact CE-CG2 3.41Å; M187-T696 VanDerWaalsContact CE-CG2 3.41Å; M187-T696 HydrophobicContact SD-CG2 4.42Å
697	W	77.3	Confident	81.5	Confident	99 Å²	99	69.5 Å²	69.5	38%	0.375	35%	0.347	S	S	.	.			trans	-79.8	145.4	175.4	63.5	-89.2	0	0	0	112.2	H144 F695 M699 T702 L755 L758	H144-W697 PolarHBondContact CE1-O 2.69Å; H144-W697 PolarHBondContact NE2-O 3.18Å; F695-W697 HydrophobicContact CD2-CB 4.46Å; F695-W697 HydrophobicContact CE2-CB 3.84Å; F695-W697 HydrophobicContact CZ-CB 3.88Å; F695-W697 PolarHBondContact O-N 2.65Å; W697-M699 HydrophobicContact CZ3-CG 3.99Å; W697-T702 HydrophobicContact CE3-CG2 4.48Å; W697-L755 HydrophobicContact CB-CD1 4.05Å; W697-L755 HydrophobicContact CB-CD2 3.64Å; W697-L755 HydrophobicContact CD2-CD1 3.86Å; W697-L755 HydrophobicContact CE3-CD1 4.07Å; W697-L755 HydrophobicContact CG-CD1 3.84Å; W697-L755 HydrophobicContact CG-CD2 3.83Å; W697-L755 HydrophobicContact CG-CG 4.48Å; W697-L758 HydrophobicContact CD2-CD1 4.46Å; W697-L758 HydrophobicContact CH2-CD1 3.71Å; W697-L758 HydrophobicContact CZ2-CD1 3.61Å; W697-L758 HydrophobicContact CZ3-CD1 4.17Å
698	S	78.1	Confident	83.5	Confident	13 Å²	13	66.2 Å²	66.2	9%	0.091	33%	0.334	C	S	.	.			trans	-112.4	151.3	175	89.6	0	0	0	0	110.9	K700 T701 T702	S698-K700 PolarHBondContact O-N 3.19Å; S698-K700 PolarHBondContact OG-N 3.3Å; S698-T701 CarbonylContact O-C 3.53Å; S698-T701 PolarHBondContact O-N 3.34Å; S698-T701 VanDerWaalsContact O-N 3.11Å; S698-T701 PolarHBondContact O-OG1 2.99Å; S698-T701 PolarHBondContact OG-N 3.14Å; S698-T701 PolarHBondContact OG-OG1 2.93Å; S698-T702 WeakPolarHBondContact O-CB 3.48Å; S698-T702 PolarHBondContact O-N 2.99Å; S698-T702 PolarHBondContact O-OG1 3.04Å
699	M	78.1	Confident	84.7	Confident	171 Å²	171	68.1 Å²	68.1	84%	0.842	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-64.4	-21	173.9	-65.5	-176.5	78.2	0	0	113.3	W697 T701	W697-M699 HydrophobicContact CZ3-CG 3.99Å; M699-T701 VanDerWaalsContact C-N 3.3Å
700	K	83.1	Confident	85.2	Confident	134 Å²	134	61.3 Å²	61.3	58%	0.583	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-71.8	-26.8	174.3	-60.4	-179.9	179.4	178.4	0	112.8	S698 N784	S698-K700 PolarHBondContact O-N 3.19Å; S698-K700 PolarHBondContact OG-N 3.3Å; K700-N784 PolarHBondContact NZ-OD1 3.05Å
701	T	86.6	Confident	85.6	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.025	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-117.1	21	-170.9	59.3	0	0	0	0	112	S698 M699 G762 V763 F765 A783 L786	S698-T701 CarbonylContact O-C 3.53Å; S698-T701 PolarHBondContact O-N 3.34Å; S698-T701 VanDerWaalsContact O-N 3.11Å; S698-T701 PolarHBondContact O-OG1 2.99Å; S698-T701 PolarHBondContact OG-N 3.14Å; S698-T701 PolarHBondContact OG-OG1 2.93Å; M699-T701 VanDerWaalsContact C-N 3.3Å; T701-G762 CarbonylContact O-C 3.59Å; T701-G762 WeakPolarHBondContact O-CA 3.42Å; T701-V763 PolarHBondContact O-N 3.49Å; T701-F765 HydrophobicContact CG2-CE2 4.05Å; T701-A783 HydrophobicContact CG2-CB 3.78Å; T701-L786 HydrophobicContact CG2-CD1 4.38Å
702	T	90	Very high	85.9	Confident	22 Å²	22	63.1 Å²	63.1	14%	0.135	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.2	-177.8	-63.8	0	0	0	0	110	W697 S698 L755 L760 N761	W697-T702 HydrophobicContact CE3-CG2 4.48Å; S698-T702 WeakPolarHBondContact O-CB 3.48Å; S698-T702 PolarHBondContact O-N 2.99Å; S698-T702 PolarHBondContact O-OG1 3.04Å; T702-L755 HydrophobicContact CG2-CD1 3.42Å; T702-L755 VanDerWaalsContact CG2-CD1 3.42Å; T702-L760 HydrophobicContact CG2-CB 3.92Å; T702-L760 HydrophobicContact CG2-CD1 3.8Å; T702-N761 CarbonylContact C-O 3.56Å; T702-N761 WeakPolarHBondContact CA-O 3.39Å
703	S	91.1	Very high	86.5	Confident	10 Å²	10	60.9 Å²	60.9	7%	0.07	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.7	-175.4	-178.9	0	0	0	0	114	M705 N761 L788	S703-M705 VanDerWaalsContact OG-CB 3.26Å; S703-M705 WeakPolarHBondContact OG-CB 3.42Å; S703-M705 PolarHBondContact OG-N 2.83Å; S703-N761 PolarHBondContact N-O 3.44Å; S703-N761 PolarHBondContact O-N 2.96Å; S703-L788 WeakPolarHBondContact CB-OXT 2.85Å; S703-L788 PolarHBondContact OG-OXT 2.84Å
704	S	90.3	Very high	87.4	Confident	107 Å²	107	58.9 Å²	58.9	75%	0.748	28%	0.28	S	S	*	.	S	Bend	trans	-86.3	-4.7	165.4	52.8	0	0	0	0	113.8
705	M	91.4	Very high	88.5	Confident	48 Å²	48	56.4 Å²	56.4	24%	0.236	27%	0.271	C	S	.	.	S	Bend	trans	-56	149.1	174.5	-178.7	-176.7	-71	0	0	111.5	S703 E709 M710 N761 L788	S703-M705 VanDerWaalsContact OG-CB 3.26Å; S703-M705 WeakPolarHBondContact OG-CB 3.42Å; S703-M705 PolarHBondContact OG-N 2.83Å; M705-E709 HydrophobicContact CG-CB 3.76Å; M705-E709 HydrophobicContact SD-CB 3.86Å; M705-M710 HydrophobicContact CB-CG 3.94Å; M705-M710 HydrophobicContact CG-CG 3.87Å; M705-M710 HydrophobicContact SD-CB 4.45Å; M705-M710 HydrophobicContact SD-CG 3.86Å; M705-N761 PolarHBondContact O-ND2 2.92Å; M705-L788 HydrophobicContact SD-CD2 4Å
706	E	92.7	Very high	89.6	Confident	109 Å²	109	60.9 Å²	60.9	51%	0.509	29%	0.291	S	S	.	.			trans	-66.4	135.2	177.2	-167.7	-170.1	136.5	0	0	110.6	N708 E709 M710	E706-N708 PolarHBondContact O-N 2.72Å; E706-N708 PolarHBondContact OE1-ND2 3.01Å; E706-E709 HydrophobicContact CB-CG 4.26Å; E706-E709 WeakPolarHBondContact O-CA 3.46Å; E706-E709 WeakPolarHBondContact O-CB 3.32Å; E706-E709 PolarHBondContact O-N 2.92Å; E706-M710 PolarHBondContact O-N 2.88Å
707	P	93.3	Very high	90.9	Very high	15 Å²	15	60.2 Å²	60.2	10%	0.097	29%	0.287	C	S	.	.	H	α-helix	trans	-50.3	-34.7	-179.5	-31.3	35.3	0	0	0	115.6	P690 E709 M710 M711 Y731 V752	P690-P707 HydrophobicContact CG-CB 3.63Å; P690-P707 HydrophobicContact CG-CG 3.32Å; P707-E709 VanDerWaalsContact C-N 3.3Å; P707-E709 PolarHBondContact O-N 3.17Å; P707-M710 PolarHBondContact O-N 3.18Å; P707-M711 VanDerWaalsContact O-CG 3.31Å; P707-M711 WeakPolarHBondContact O-CG 3.4Å; P707-M711 PolarHBondContact O-N 3.48Å; P707-Y731 HydrophobicContact CB-CD1 3.83Å; P707-Y731 HydrophobicContact CB-CE1 3.42Å; P707-Y731 VanDerWaalsContact CB-CE1 3.42Å; P707-V752 HydrophobicContact CB-CG1 4.03Å
708	N	93.5	Very high	91.9	Very high	65 Å²	65	55.5 Å²	55.5	35%	0.348	27%	0.269	S	S	.	.	H	α-helix	trans	-67.6	-31.2	177.9	-66.5	-51.6	0	0	0	112.4	E706 R712 Y731	E706-N708 PolarHBondContact O-N 2.72Å; E706-N708 PolarHBondContact OE1-ND2 3.01Å; N708-R712 PolarHBondContact O-N 3.15Å; N708-Y731 WeakPolarHBondContact OD1-CE1 3.06Å; N708-Y731 PolarHBondContact OD1-OH 3.3Å
709	E	94.9	Very high	92.7	Very high	85 Å²	85	59.9 Å²	59.9	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-81.2	-38.4	174.9	-55.1	-157.8	112.7	0	0	111.8	M705 E706 P707 M711 R712 E713	M705-E709 HydrophobicContact CG-CB 3.76Å; M705-E709 HydrophobicContact SD-CB 3.86Å; E706-E709 HydrophobicContact CB-CG 4.26Å; E706-E709 WeakPolarHBondContact O-CA 3.46Å; E706-E709 WeakPolarHBondContact O-CB 3.32Å; E706-E709 PolarHBondContact O-N 2.92Å; P707-E709 VanDerWaalsContact C-N 3.3Å; P707-E709 PolarHBondContact O-N 3.17Å; E709-M711 VanDerWaalsContact C-N 3.27Å; E709-M711 PolarHBondContact O-N 2.89Å; E709-R712 WeakPolarHBondContact O-CA 3.39Å; E709-R712 VanDerWaalsContact O-CB 3.27Å; E709-R712 WeakPolarHBondContact O-CB 3.35Å; E709-R712 PolarHBondContact O-N 3.35Å; E709-R712 IonicContact OE1-NH1 3.29Å; E709-R712 PolarHBondContact OE1-NH1 2.99Å; E709-E713 PolarHBondContact O-N 2.91Å
710	M	95.3	Very high	93.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.3	-45.6	171.2	-60.1	-176.7	76.3	0	0	110.6	M705 E706 P707 R712 E713 I714 V752 N761 V763 L788	M705-M710 HydrophobicContact CB-CG 3.94Å; M705-M710 HydrophobicContact CG-CG 3.87Å; M705-M710 HydrophobicContact SD-CB 4.45Å; M705-M710 HydrophobicContact SD-CG 3.86Å; E706-M710 PolarHBondContact O-N 2.88Å; P707-M710 PolarHBondContact O-N 3.18Å; M710-R712 VanDerWaalsContact C-N 3.26Å; M710-R712 PolarHBondContact O-N 3.22Å; M710-E713 PolarHBondContact O-N 2.65Å; M710-I714 WeakPolarHBondContact O-CB 3.07Å; M710-I714 WeakPolarHBondContact O-CD1 3.4Å; M710-I714 WeakPolarHBondContact O-CG1 3.15Å; M710-I714 PolarHBondContact O-N 2.92Å; M710-V752 HydrophobicContact CB-CG1 4.47Å; M710-V752 HydrophobicContact CB-CG2 4.04Å; M710-V752 HydrophobicContact CE-CG1 4.41Å; M710-V752 HydrophobicContact SD-CG1 3.79Å; M710-N761 HydrophobicContact CE-CB 4.25Å; M710-N761 HydrophobicContact SD-CB 3.54Å; M710-N761 VanDerWaalsContact SD-CB 3.54Å; M710-V763 HydrophobicContact CE-CG2 4.01Å; M710-L788 HydrophobicContact CB-CD2 3.99Å; M710-L788 HydrophobicContact CE-CD1 3.95Å; M710-L788 HydrophobicContact CE-CD2 4.24Å; M710-L788 HydrophobicContact CG-CD2 4.04Å
711	M	95.9	Very high	94.1	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-27	174.7	-70.8	-66.5	-72.8	0	0	113.6	P707 E709 I714 R715 L727 Y731 L733 V752	P707-M711 VanDerWaalsContact O-CG 3.31Å; P707-M711 WeakPolarHBondContact O-CG 3.4Å; P707-M711 PolarHBondContact O-N 3.48Å; E709-M711 VanDerWaalsContact C-N 3.27Å; E709-M711 PolarHBondContact O-N 2.89Å; M711-I714 HydrophobicContact SD-CD1 4.36Å; M711-R715 PolarHBondContact O-N 3.23Å; M711-R715 PolarHBondContact O-NE 3.1Å; M711-R715 PolarHBondContact O-NH2 3.33Å; M711-L727 HydrophobicContact CE-CD1 3.79Å; M711-Y731 HydrophobicContact CG-CD1 3.92Å; M711-L733 HydrophobicContact CE-CD1 4.47Å; M711-L733 HydrophobicContact CE-CD2 3.8Å; M711-L733 HydrophobicContact CE-CG 3.78Å; M711-V752 HydrophobicContact CG-CG2 4.03Å; M711-V752 HydrophobicContact SD-CB 4.43Å; M711-V752 HydrophobicContact SD-CG2 3.7Å
712	R	95.3	Very high	94.5	Very high	146 Å²	146	54.6 Å²	54.6	55%	0.551	29%	0.292	S	S	*	.	H	α-helix	trans	-72.9	-46	175	-167.7	-169.3	-64.9	129.4	-2.7	110.9	N708 E709 M710 K716	N708-R712 PolarHBondContact O-N 3.15Å; E709-R712 WeakPolarHBondContact O-CA 3.39Å; E709-R712 VanDerWaalsContact O-CB 3.27Å; E709-R712 WeakPolarHBondContact O-CB 3.35Å; E709-R712 PolarHBondContact O-N 3.35Å; E709-R712 IonicContact OE1-NH1 3.29Å; E709-R712 PolarHBondContact OE1-NH1 2.99Å; M710-R712 VanDerWaalsContact C-N 3.26Å; M710-R712 PolarHBondContact O-N 3.22Å; R712-K716 WeakPolarHBondContact O-CB 3.46Å; R712-K716 PolarHBondContact O-N 2.86Å
713	E	96.7	Very high	94.8	Very high	29 Å²	29	53.8 Å²	53.8	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-38.2	176.8	-170.6	63.5	-167.7	0	0	111.9	E709 M710 R715 K716 V717 L786 K787 L788	E709-E713 PolarHBondContact O-N 2.91Å; M710-E713 PolarHBondContact O-N 2.65Å; E713-R715 PolarHBondContact O-N 3.48Å; E713-K716 PolarHBondContact O-N 3.48Å; E713-K716 IonicContact OE1-NZ 3.13Å; E713-K716 PolarHBondContact OE1-NZ 2.99Å; E713-K716 IonicContact OE2-NZ 2.8Å; E713-K716 PolarHBondContact OE2-NZ 2.98Å; E713-V717 HydrophobicContact CG-CG2 4.45Å; E713-V717 WeakPolarHBondContact O-CG2 3.25Å; E713-V717 PolarHBondContact O-N 2.94Å; E713-L786 HydrophobicContact CG-CD2 4.43Å; E713-K787 HydrophobicContact CG-CB 4.45Å; E713-L788 HydrophobicContact CB-CD2 4.25Å; E713-L788 HydrophobicContact CG-CD2 4.5Å
714	I	96.4	Very high	94.9	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-57.2	-50.6	175.1	-71.6	162.5	0	0	0	111.5	M710 M711 V717 L718 L733 M750 V752 V763 L786	M710-I714 WeakPolarHBondContact O-CB 3.07Å; M710-I714 WeakPolarHBondContact O-CD1 3.4Å; M710-I714 WeakPolarHBondContact O-CG1 3.15Å; M710-I714 PolarHBondContact O-N 2.92Å; M711-I714 HydrophobicContact SD-CD1 4.36Å; I714-V717 PolarHBondContact O-N 3.35Å; I714-L718 HydrophobicContact CG2-CD1 3.69Å; I714-L718 HydrophobicContact CG2-CG 4.46Å; I714-L718 WeakPolarHBondContact O-CG 3.28Å; I714-L718 PolarHBondContact O-N 3.34Å; I714-L733 HydrophobicContact CG2-CD1 3.62Å; I714-M750 HydrophobicContact CG1-CE 4.27Å; I714-M750 HydrophobicContact CG2-CE 3.62Å; I714-M750 HydrophobicContact CG2-SD 4.24Å; I714-V752 HydrophobicContact CD1-CG2 3.61Å; I714-V763 HydrophobicContact CD1-CG1 3.95Å; I714-V763 HydrophobicContact CD1-CG2 3.8Å; I714-V763 HydrophobicContact CG1-CG2 4.42Å; I714-L786 HydrophobicContact CB-CD2 4.33Å; I714-L786 HydrophobicContact CG1-CD2 3.69Å
715	R	96.2	Very high	95	Very high	84 Å²	84	56.6 Å²	56.6	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-59.2	-50.2	177.1	-77.1	-179.1	-71.1	-99	-3.2	111.3	M711 E713 V717 L718 D719 L733	M711-R715 PolarHBondContact O-N 3.23Å; M711-R715 PolarHBondContact O-NE 3.1Å; M711-R715 PolarHBondContact O-NH2 3.33Å; E713-R715 PolarHBondContact O-N 3.48Å; R715-V717 VanDerWaalsContact C-N 3.27Å; R715-V717 PolarHBondContact O-N 3.38Å; R715-L718 WeakPolarHBondContact O-CA 2.98Å; R715-L718 WeakPolarHBondContact O-CB 3.43Å; R715-L718 PolarHBondContact O-N 3.24Å; R715-D719 PolarHBondContact O-N 3.34Å; R715-D719 VanDerWaalsContact O-OD2 3.08Å; R715-L733 HydrophobicContact CG-CD1 3.85Å; R715-L733 HydrophobicContact CG-CD2 4.46Å
716	K	96.6	Very high	95.1	Very high	110 Å²	110	60 Å²	60	48%	0.478	31%	0.308	S	S	.	.	H	α-helix	trans	-54.9	-36.8	177.3	164.1	167.1	159.6	-82.5	0	113.9	R712 E713 A720	R712-K716 WeakPolarHBondContact O-CB 3.46Å; R712-K716 PolarHBondContact O-N 2.86Å; E713-K716 PolarHBondContact O-N 3.48Å; E713-K716 IonicContact OE1-NZ 3.13Å; E713-K716 PolarHBondContact OE1-NZ 2.99Å; E713-K716 IonicContact OE2-NZ 2.8Å; E713-K716 PolarHBondContact OE2-NZ 2.98Å; K716-A720 WeakPolarHBondContact O-CB 3.01Å; K716-A720 PolarHBondContact O-N 2.69Å
717	V	96.9	Very high	95	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.055	31%	0.306	C	S	.	.	H	α-helix	trans	-76.9	-35.8	175.3	173.9	0	0	0	0	111.9	E713 I714 R715 N721 I782 E785 L786	E713-V717 HydrophobicContact CG-CG2 4.45Å; E713-V717 WeakPolarHBondContact O-CG2 3.25Å; E713-V717 PolarHBondContact O-N 2.94Å; I714-V717 PolarHBondContact O-N 3.35Å; R715-V717 VanDerWaalsContact C-N 3.27Å; R715-V717 PolarHBondContact O-N 3.38Å; V717-N721 WeakPolarHBondContact O-CB 3.49Å; V717-N721 PolarHBondContact O-N 2.73Å; V717-N721 PolarHBondContact O-ND2 3.17Å; V717-I782 HydrophobicContact CG1-CB 4.41Å; V717-I782 HydrophobicContact CG1-CG1 4.47Å; V717-I782 HydrophobicContact CG1-CG2 4.01Å; V717-E785 HydrophobicContact CG1-CB 3.86Å; V717-L786 HydrophobicContact CB-CD2 4.29Å; V717-L786 HydrophobicContact CG2-CD2 4.18Å
718	L	96.7	Very high	94.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-47	173	-72.7	162	0	0	0	111.5	I714 R715 A720 N721 S722 C723 L733 C735 W748 M750 I782	I714-L718 HydrophobicContact CG2-CD1 3.69Å; I714-L718 HydrophobicContact CG2-CG 4.46Å; I714-L718 WeakPolarHBondContact O-CG 3.28Å; I714-L718 PolarHBondContact O-N 3.34Å; R715-L718 WeakPolarHBondContact O-CA 2.98Å; R715-L718 WeakPolarHBondContact O-CB 3.43Å; R715-L718 PolarHBondContact O-N 3.24Å; L718-A720 PolarHBondContact O-N 2.65Å; L718-N721 CarbonylContact O-C 3.58Å; L718-N721 WeakPolarHBondContact O-CA 3.4Å; L718-N721 PolarHBondContact O-N 3.27Å; L718-S722 PolarHBondContact O-N 3.1Å; L718-C723 HydrophobicContact CB-CB 4.02Å; L718-C723 HydrophobicContact CD2-CB 3.61Å; L718-C723 HydrophobicContact CG-CB 4.46Å; L718-C723 WeakPolarHBondContact O-CB 3.19Å; L718-C723 PolarHBondContact O-N 3.36Å; L718-L733 HydrophobicContact CD1-CD1 3.57Å; L718-C735 HydrophobicContact CD2-CB 4.34Å; L718-W748 HydrophobicContact CD2-CZ2 3.81Å; L718-M750 HydrophobicContact CD1-SD 4.18Å; L718-M750 HydrophobicContact CD2-SD 4.04Å; L718-M750 HydrophobicContact CG-SD 4.42Å; L718-I782 HydrophobicContact CD2-CD1 3.66Å
719	D	94.9	Very high	94.3	Very high	105 Å²	105	63.1 Å²	63.1	56%	0.561	32%	0.321	S	S	*	.	H	α-helix	trans	-59.1	-46.1	177.8	-58.5	-33.9	0	0	0	110.9	R715 N721 S722	R715-D719 PolarHBondContact O-N 3.34Å; R715-D719 VanDerWaalsContact O-OD2 3.08Å; D719-N721 PolarHBondContact O-N 2.99Å; D719-S722 PolarHBondContact O-N 3.04Å; D719-S722 VanDerWaalsContact O-N 3.08Å
720	A	96.1	Very high	94	Very high	79 Å²	79	60.8 Å²	60.8	65%	0.653	31%	0.31	S	S	*	.	H	α-helix	trans	-65.7	-14.2	175.4	0	0	0	0	0	114.2	K716 L718	K716-A720 WeakPolarHBondContact O-CB 3.01Å; K716-A720 PolarHBondContact O-N 2.69Å; L718-A720 PolarHBondContact O-N 2.65Å
721	N	95.2	Very high	93.9	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.043	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	13.5	175.6	-82.4	-83.4	0	0	0	113	V717 L718 D719 C723 I778 K781 E785	V717-N721 WeakPolarHBondContact O-CB 3.49Å; V717-N721 PolarHBondContact O-N 2.73Å; V717-N721 PolarHBondContact O-ND2 3.17Å; L718-N721 CarbonylContact O-C 3.58Å; L718-N721 WeakPolarHBondContact O-CA 3.4Å; L718-N721 PolarHBondContact O-N 3.27Å; D719-N721 PolarHBondContact O-N 2.99Å; N721-C723 PolarHBondContact O-N 3.14Å; N721-C723 VanDerWaalsContact O-N 3.08Å; N721-C723 PolarHBondContact O-SG 3.24Å; N721-C723 VanDerWaalsContact O-SG 3.41Å; N721-I778 HydrophobicContact CB-CD1 4.49Å; N721-K781 WeakPolarHBondContact OD1-CD 3.23Å; N721-K781 WeakPolarHBondContact OD1-CE 3.34Å; N721-K781 PolarHBondContact OD1-NZ 3.39Å; N721-E785 PolarHBondContact ND2-OE2 2.89Å
722	S	95.1	Very high	93.8	Very high	110 Å²	110	61.7 Å²	61.7	77%	0.769	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	26.2	-176.3	-54.6	0	0	0	0	113.7	L718 D719	L718-S722 PolarHBondContact O-N 3.1Å; D719-S722 PolarHBondContact O-N 3.04Å; D719-S722 VanDerWaalsContact O-N 3.08Å
723	C	95.6	Very high	93.8	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.034	29%	0.287	C	S	.	.			trans	-87	126.8	178.2	-62.1	0	0	0	0	109.5	L718 N721 M736 W748	L718-C723 HydrophobicContact CB-CB 4.02Å; L718-C723 HydrophobicContact CD2-CB 3.61Å; L718-C723 HydrophobicContact CG-CB 4.46Å; L718-C723 WeakPolarHBondContact O-CB 3.19Å; L718-C723 PolarHBondContact O-N 3.36Å; N721-C723 PolarHBondContact O-N 3.14Å; N721-C723 VanDerWaalsContact O-N 3.08Å; N721-C723 PolarHBondContact O-SG 3.24Å; N721-C723 VanDerWaalsContact O-SG 3.41Å; C723-M736 CarbonylContact C-O 3.48Å; C723-M736 WeakPolarHBondContact CA-O 3.29Å; C723-W748 HydrophobicContact CB-CH2 4.25Å
724	Q	94.1	Very high	93.7	Very high	132 Å²	132	54.7 Å²	54.7	62%	0.617	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	139.1	170.8	-63.1	176.5	0.3	0	0	108.9	C735 M736	Q724-C735 CarbonylContact O-C 3.49Å; Q724-C735 WeakPolarHBondContact O-CA 3.4Å; Q724-M736 HydrophobicContact CB-CB 4.38Å; Q724-M736 HydrophobicContact CB-CE 4.36Å; Q724-M736 PolarHBondContact N-O 3.5Å; Q724-M736 PolarHBondContact O-N 3.36Å
725	S	93.4	Very high	93.7	Very high	45 Å²	45	54.6 Å²	54.6	32%	0.315	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.1	176	72	0	0	0	0	113.1	L734	S725-L734 WeakPolarHBondContact CA-O 3.45Å
726	E	92.8	Very high	93.7	Very high	119 Å²	119	53.2 Å²	53.2	56%	0.556	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.3	-178.9	-178.2	-178.9	-164.5	0	0	108.9	H728 L733 L734	E726-H728 PolarHBondContact O-N 3.24Å; E726-L733 CarbonylContact O-C 3.47Å; E726-L733 VanDerWaalsContact O-CA 3.27Å; E726-L733 WeakPolarHBondContact O-CA 3.49Å; E726-L734 HydrophobicContact CB-CB 4.5Å; E726-L734 PolarHBondContact N-O 3.1Å; E726-L734 PolarHBondContact O-N 3.11Å
727	L	90.5	Very high	93.6	Very high	92 Å²	92	50.8 Å²	50.8	48%	0.482	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	109.6	-179.9	-173.8	70.4	0	0	0	110.2	M711 E729 L733	M711-L727 HydrophobicContact CE-CD1 3.79Å; L727-E729 WeakPolarHBondContact CD1-O 3.48Å; L727-L733 HydrophobicContact CB-CD2 4.32Å; L727-L733 HydrophobicContact CD1-CD2 3.7Å
728	H	84.8	Confident	93.3	Very high	100 Å²	100	51.7 Å²	51.7	46%	0.463	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-46	-175.6	-162.3	123.1	0	0	0	112.1	E726 M732	E726-H728 PolarHBondContact O-N 3.24Å; H728-M732 PolarHBondContact N-O 2.76Å
729	E	87.5	Confident	92.7	Very high	63 Å²	63	55.9 Å²	55.9	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	161.9	168.7	-54.3	177.7	-152.7	0	0	107.3	R691 L727 Y731 M732	R691-E729 IonicContact CZ-OE1 3.52Å; R691-E729 IonicContact CZ-OE2 2.68Å; R691-E729 VanDerWaalsContact NH1-CD 3.34Å; R691-E729 IonicContact NH1-OE1 2.65Å; R691-E729 PolarHBondContact NH1-OE1 3.29Å; R691-E729 IonicContact NH1-OE2 3.1Å; R691-E729 PolarHBondContact NH1-OE2 2.74Å; R691-E729 IonicContact NH2-OE1 2.68Å; L727-E729 WeakPolarHBondContact CD1-O 3.48Å; E729-Y731 PolarHBondContact O-N 3.45Å; E729-M732 HydrophobicContact CB-CB 3.81Å; E729-M732 HydrophobicContact CG-CB 4.26Å; E729-M732 HydrophobicContact CG-CE 4.13Å; E729-M732 HydrophobicContact CG-SD 4.44Å; E729-M732 PolarHBondContact N-O 3.02Å; E729-M732 PolarHBondContact O-N 2.84Å; E729-M732 WeakPolarHBondContact OE1-CE 3.48Å
730	K	88.5	Confident	92.1	Very high	35 Å²	35	55.8 Å²	55.8	15%	0.152	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-35.1	-179	-177.1	-176.4	-174.3	174.4	0	114.9	F685 R686 A688	F685-K730 HydrophobicContact CD1-CB 4.44Å; F685-K730 HydrophobicContact CE1-CB 3.95Å; F685-K730 HydrophobicContact CE1-CG 4.32Å; F685-K730 HydrophobicContact CZ-CB 4.35Å; F685-K730 VanDerWaalsContact O-CD 3.28Å; F685-K730 WeakPolarHBondContact O-CD 3.24Å; F685-K730 WeakPolarHBondContact O-CE 3.17Å; F685-K730 PolarHBondContact O-NZ 2.68Å; R686-K730 VanDerWaalsContact C-NZ 3.25Å; R686-K730 PolarHBondContact O-NZ 3.03Å; A688-K730 HydrophobicContact CB-CD 3.92Å; A688-K730 PolarHBondContact O-NZ 3.01Å
731	Y	93.9	Very high	90.9	Very high	22 Å²	22	55.9 Å²	55.9	9%	0.086	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	20	178.7	-60.6	-59.2	0	0	0	113.4	A688 P690 P707 N708 M711 E729 E751 V752	A688-Y731 VanDerWaalsContact O-CE2 3.32Å; A688-Y731 WeakPolarHBondContact O-CE2 3.49Å; A688-Y731 PolarHBondContact O-OH 2.78Å; P690-Y731 HydrophobicContact CB-CD2 4.43Å; P690-Y731 HydrophobicContact CG-CD2 4.07Å; P690-Y731 HydrophobicContact CG-CE2 4.01Å; P690-Y731 HydrophobicContact CG-CG 4.43Å; P707-Y731 HydrophobicContact CB-CD1 3.83Å; P707-Y731 HydrophobicContact CB-CE1 3.42Å; P707-Y731 VanDerWaalsContact CB-CE1 3.42Å; N708-Y731 WeakPolarHBondContact OD1-CE1 3.06Å; N708-Y731 PolarHBondContact OD1-OH 3.3Å; M711-Y731 HydrophobicContact CG-CD1 3.92Å; E729-Y731 PolarHBondContact O-N 3.45Å; Y731-E751 CarbonylContact O-C 3.5Å; Y731-E751 VanDerWaalsContact O-CA 3.29Å; Y731-E751 WeakPolarHBondContact O-CA 3.4Å; Y731-V752 PolarHBondContact O-N 3.23Å
732	M	93.6	Very high	90.1	Very high	1 Å²	1	62 Å²	62	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.5	-178.7	-167.4	-172.5	-56.3	0	0	112.5	K57 H728 E729 M750 E751	K57-M732 VanDerWaalsContact NZ-CE 3.34Å; K57-M732 PolarHBondContact NZ-SD 3.45Å; H728-M732 PolarHBondContact N-O 2.76Å; E729-M732 HydrophobicContact CB-CB 3.81Å; E729-M732 HydrophobicContact CG-CB 4.26Å; E729-M732 HydrophobicContact CG-CE 4.13Å; E729-M732 HydrophobicContact CG-SD 4.44Å; E729-M732 PolarHBondContact N-O 3.02Å; E729-M732 PolarHBondContact O-N 2.84Å; E729-M732 WeakPolarHBondContact OE1-CE 3.48Å; M732-M750 CarbonylContact C-O 3.59Å; M732-M750 VanDerWaalsContact CA-O 3.3Å; M732-M750 WeakPolarHBondContact CA-O 3.41Å; M732-E751 HydrophobicContact CB-CG 4.36Å; M732-E751 HydrophobicContact CE-CG 4.05Å; M732-E751 HydrophobicContact CG-CB 4.24Å; M732-E751 HydrophobicContact CG-CG 4.44Å
733	L	95.3	Very high	89.2	Confident	2 Å²	2	65 Å²	65	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.6	170.2	-56.7	177.2	0	0	0	110.5	M711 I714 R715 L718 E726 L727 E749 M750	M711-L733 HydrophobicContact CE-CD1 4.47Å; M711-L733 HydrophobicContact CE-CD2 3.8Å; M711-L733 HydrophobicContact CE-CG 3.78Å; I714-L733 HydrophobicContact CG2-CD1 3.62Å; R715-L733 HydrophobicContact CG-CD1 3.85Å; R715-L733 HydrophobicContact CG-CD2 4.46Å; L718-L733 HydrophobicContact CD1-CD1 3.57Å; E726-L733 CarbonylContact O-C 3.47Å; E726-L733 VanDerWaalsContact O-CA 3.27Å; E726-L733 WeakPolarHBondContact O-CA 3.49Å; L727-L733 HydrophobicContact CB-CD2 4.32Å; L727-L733 HydrophobicContact CD1-CD2 3.7Å; L733-E749 WeakPolarHBondContact O-CA 3.47Å; L733-M750 PolarHBondContact N-O 3.08Å; L733-M750 PolarHBondContact O-N 2.97Å
734	L	94.6	Very high	88.6	Confident	26 Å²	26	68.1 Å²	68.1	14%	0.136	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.5	160.2	-176.4	60.9	0	0	0	107.6	S725 E726 Q747 E749	S725-L734 WeakPolarHBondContact CA-O 3.45Å; E726-L734 HydrophobicContact CB-CB 4.5Å; E726-L734 PolarHBondContact N-O 3.1Å; E726-L734 PolarHBondContact O-N 3.11Å; L734-Q747 HydrophobicContact CD1-CG 3.96Å; L734-E749 HydrophobicContact CD1-CG 4.47Å
735	C	95.8	Very high	88.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147	-170.8	-60.2	0	0	0	0	111.4	L718 Q724 Q747 W748	L718-C735 HydrophobicContact CD2-CB 4.34Å; Q724-C735 CarbonylContact O-C 3.49Å; Q724-C735 WeakPolarHBondContact O-CA 3.4Å; C735-Q747 VanDerWaalsContact O-CA 3.28Å; C735-Q747 WeakPolarHBondContact O-CA 3.41Å; C735-W748 HydrophobicContact CB-CD2 3.67Å; C735-W748 HydrophobicContact CB-CE3 4.05Å; C735-W748 HydrophobicContact CB-CG 4.23Å; C735-W748 HydrophobicContact CB-CH2 3.87Å; C735-W748 HydrophobicContact CB-CZ2 3.47Å; C735-W748 VanDerWaalsContact CB-CZ2 3.47Å; C735-W748 HydrophobicContact CB-CZ3 4.13Å; C735-W748 PolarHBondContact N-O 2.98Å; C735-W748 PolarHBondContact O-N 3.17Å
736	M	95.1	Very high	88.4	Confident	54 Å²	54	61.2 Å²	61.2	27%	0.266	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.3	178.6	-63.9	-178.9	-66.8	0	0	111.7	C723 Q724 V746 Q747	C723-M736 CarbonylContact C-O 3.48Å; C723-M736 WeakPolarHBondContact CA-O 3.29Å; Q724-M736 HydrophobicContact CB-CB 4.38Å; Q724-M736 HydrophobicContact CB-CE 4.36Å; Q724-M736 PolarHBondContact N-O 3.5Å; Q724-M736 PolarHBondContact O-N 3.36Å; M736-V746 WeakPolarHBondContact CA-O 3.45Å; M736-Q747 HydrophobicContact CG-CB 4.2Å; M736-Q747 HydrophobicContact CG-CG 3.85Å
737	H	94.8	Very high	88.4	Confident	59 Å²	59	56.9 Å²	56.9	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153.5	177.1	174.9	-81.3	0	0	0	109.8	F745 V746 W748 I778	H737-F745 WeakPolarHBondContact O-CA 3.14Å; H737-V746 HydrophobicContact CB-CG1 4.13Å; H737-V746 PolarHBondContact N-O 3.34Å; H737-V746 PolarHBondContact O-N 2.77Å; H737-W748 HydrophobicContact CB-CH2 3.82Å; H737-W748 HydrophobicContact CB-CZ3 3.72Å; H737-I778 HydrophobicContact CB-CG1 4.2Å
738	G	90.6	Very high	88.6	Confident	29 Å²	29	52.5 Å²	52.5	30%	0.299	29%	0.291	S	S	.	.	S	Bend	trans	79.1	177.9	-175.1	0	0	0	0	0	113.1	D744	G738-D744 WeakPolarHBondContact CA-OD2 3.44Å
739	T	85.8	Confident	89	Confident	88 Å²	88	48.2 Å²	48.2	54%	0.54	27%	0.271	S	S	.	.			trans	-100.5	122.8	-176.1	-57.8	0	0	0	0	111.1	G741 H742 F745	T739-G741 PolarHBondContact O-N 3.22Å; T739-G741 VanDerWaalsContact O-N 3.09Å; T739-H742 PolarHBondContact O-N 3.1Å; T739-F745 WeakPolarHBondContact O-CB 3.35Å
740	P	80.5	Confident	89.3	Confident	103 Å²	103	45.3 Å²	45.3	67%	0.669	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	118	179.9	-28.5	34.3	0	0	0	113.1	F745	P740-F745 HydrophobicContact CB-CD2 4.36Å; P740-F745 HydrophobicContact CB-CE2 4.42Å; P740-F745 HydrophobicContact CG-CD2 3.93Å; P740-F745 HydrophobicContact CG-CE2 3.75Å; P740-F745 HydrophobicContact CG-CZ 4.4Å
741	G	70.9	Confident	89.6	Confident	81 Å²	81	43.9 Å²	43.9	84%	0.835	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.9	-15.8	-176.9	0	0	0	0	0	115	T739	T739-G741 PolarHBondContact O-N 3.22Å; T739-G741 VanDerWaalsContact O-N 3.09Å
742	H	79.5	Confident	89.6	Confident	137 Å²	137	42.9 Å²	42.9	63%	0.634	25%	0.248	S	C	*	.	S	Bend	trans	-88.3	159.4	168.3	-85.8	-105.4	0	0	0	112.4	T739 D744 F745	T739-H742 PolarHBondContact O-N 3.1Å; H742-D744 WeakPolarHBondContact CB-OD1 3.25Å; H742-D744 PolarHBondContact O-N 2.87Å; H742-F745 WeakPolarHBondContact O-CB 3.4Å; H742-F745 PolarHBondContact O-N 2.76Å
743	E	74.8	Confident	89.6	Confident	173 Å²	173	42.8 Å²	42.8	81%	0.808	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-16	-179.5	-59	-171.4	142.5	0	0	114.1	T771	E743-T771 PolarHBondContact O-OG1 2.97Å
744	D	83.4	Confident	89.3	Confident	70 Å²	70	47.6 Å²	47.6	37%	0.374	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.2	176.5	78.2	-35.9	0	0	0	113.5	G738 H742 V746	G738-D744 WeakPolarHBondContact CA-OD2 3.44Å; H742-D744 WeakPolarHBondContact CB-OD1 3.25Å; H742-D744 PolarHBondContact O-N 2.87Å; D744-V746 PolarHBondContact O-N 2.81Å
745	F	90.8	Very high	88.8	Confident	32 Å²	32	46.4 Å²	46.4	14%	0.14	26%	0.262	C	S	.	.			trans	-65	131.3	179	179.6	-101.1	0	0	0	111.1	H737 T739 P740 H742 Q747 G770	H737-F745 WeakPolarHBondContact O-CA 3.14Å; T739-F745 WeakPolarHBondContact O-CB 3.35Å; P740-F745 HydrophobicContact CB-CD2 4.36Å; P740-F745 HydrophobicContact CB-CE2 4.42Å; P740-F745 HydrophobicContact CG-CD2 3.93Å; P740-F745 HydrophobicContact CG-CE2 3.75Å; P740-F745 HydrophobicContact CG-CZ 4.4Å; H742-F745 WeakPolarHBondContact O-CB 3.4Å; H742-F745 PolarHBondContact O-N 2.76Å; F745-Q747 HydrophobicContact CE1-CB 4.47Å; F745-Q747 HydrophobicContact CZ-CB 4.37Å; F745-G770 WeakPolarHBondContact O-CA 3.38Å
746	V	93.1	Very high	87.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.3	178.9	57	0	0	0	0	111.3	M736 H737 D744 W748 S769 A774 F775 I778	M736-V746 WeakPolarHBondContact CA-O 3.45Å; H737-V746 HydrophobicContact CB-CG1 4.13Å; H737-V746 PolarHBondContact N-O 3.34Å; H737-V746 PolarHBondContact O-N 2.77Å; D744-V746 PolarHBondContact O-N 2.81Å; V746-W748 HydrophobicContact CG1-CE3 4.15Å; V746-W748 HydrophobicContact CG1-CZ3 3.92Å; V746-W748 HydrophobicContact CG2-CE3 4.06Å; V746-S769 WeakPolarHBondContact CG2-O 3.34Å; V746-A774 HydrophobicContact CB-CB 4.46Å; V746-F775 HydrophobicContact CG2-CB 3.74Å; V746-F775 HydrophobicContact CG2-CD2 3.96Å; V746-F775 HydrophobicContact CG2-CG 4.31Å; V746-I778 HydrophobicContact CG1-CG2 3.79Å
747	Q	93.9	Very high	86.5	Confident	27 Å²	27	58.8 Å²	58.8	13%	0.126	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.8	174.9	-176.1	175.4	25	0	0	109.1	L734 C735 M736 F745 I768 S769	L734-Q747 HydrophobicContact CD1-CG 3.96Å; C735-Q747 VanDerWaalsContact O-CA 3.28Å; C735-Q747 WeakPolarHBondContact O-CA 3.41Å; M736-Q747 HydrophobicContact CG-CB 4.2Å; M736-Q747 HydrophobicContact CG-CG 3.85Å; F745-Q747 HydrophobicContact CE1-CB 4.47Å; F745-Q747 HydrophobicContact CZ-CB 4.37Å; Q747-I768 HydrophobicContact CG-CB 4.45Å; Q747-I768 WeakPolarHBondContact O-CA 3.36Å; Q747-I768 WeakPolarHBondContact O-CB 3.33Å; Q747-I768 PolarHBondContact O-N 3.48Å; Q747-S769 WeakPolarHBondContact CB-OG 3.02Å; Q747-S769 PolarHBondContact N-O 3.2Å; Q747-S769 PolarHBondContact O-N 3.18Å
748	W	94.1	Very high	85.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158.2	-175.6	71.4	100.7	0	0	0	112.8	L718 C723 C735 H737 V746 M750 K766 F775 I778 I782	L718-W748 HydrophobicContact CD2-CZ2 3.81Å; C723-W748 HydrophobicContact CB-CH2 4.25Å; C735-W748 HydrophobicContact CB-CD2 3.67Å; C735-W748 HydrophobicContact CB-CE3 4.05Å; C735-W748 HydrophobicContact CB-CG 4.23Å; C735-W748 HydrophobicContact CB-CH2 3.87Å; C735-W748 HydrophobicContact CB-CZ2 3.47Å; C735-W748 VanDerWaalsContact CB-CZ2 3.47Å; C735-W748 HydrophobicContact CB-CZ3 4.13Å; C735-W748 PolarHBondContact N-O 2.98Å; C735-W748 PolarHBondContact O-N 3.17Å; H737-W748 HydrophobicContact CB-CH2 3.82Å; H737-W748 HydrophobicContact CB-CZ3 3.72Å; V746-W748 HydrophobicContact CG1-CE3 4.15Å; V746-W748 HydrophobicContact CG1-CZ3 3.92Å; V746-W748 HydrophobicContact CG2-CE3 4.06Å; W748-M750 VanDerWaalsContact NE1-CG 3.27Å; W748-M750 PolarHBondContact NE1-SD 2.69Å; W748-M750 VanDerWaalsContact NE1-SD 3.42Å; W748-K766 CarbonylContact C-O 3.36Å; W748-K766 VanDerWaalsContact CA-O 3.29Å; W748-K766 WeakPolarHBondContact CA-O 3.33Å; W748-K766 VanDerWaalsContact CB-O 3.3Å; W748-K766 WeakPolarHBondContact CB-O 3Å; W748-F775 HydrophobicContact CB-CD2 3.94Å; W748-F775 HydrophobicContact CB-CE2 3.53Å; W748-F775 AromaticContact CD1-CE2 3.98Å; W748-F775 HydrophobicContact CD2-CE2 4.45Å; W748-F775 HydrophobicContact CG-CD2 4.17Å; W748-F775 AromaticContact CG-CE2 3.71Å; W748-F775 HydrophobicContact CG-CE2 3.71Å; W748-I778 HydrophobicContact CH2-CG1 4Å; W748-I778 HydrophobicContact CH2-CG2 4.11Å; W748-I778 HydrophobicContact CZ2-CG1 4.41Å; W748-I778 HydrophobicContact CZ2-CG2 4.45Å; W748-I778 HydrophobicContact CZ3-CG2 4.15Å; W748-I782 HydrophobicContact CH2-CD1 4.39Å; W748-I782 HydrophobicContact CZ2-CD1 3.61Å
749	E	93.4	Very high	84.9	Confident	11 Å²	11	63.1 Å²	63.1	5%	0.051	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.4	169.1	-62.4	177.3	142.7	0	0	109.5	K57 L733 L734 F765 K766 I768	K57-E749 WeakPolarHBondContact CD-OE1 3.13Å; K57-E749 WeakPolarHBondContact CE-OE1 3.36Å; K57-E749 IonicContact NZ-OE1 2.68Å; K57-E749 PolarHBondContact NZ-OE1 3.27Å; K57-E749 IonicContact NZ-OE2 2.87Å; K57-E749 PolarHBondContact NZ-OE2 2.96Å; L733-E749 WeakPolarHBondContact O-CA 3.47Å; L734-E749 HydrophobicContact CD1-CG 4.47Å; E749-F765 WeakPolarHBondContact O-CA 3.5Å; E749-K766 HydrophobicContact CB-CB 4.47Å; E749-K766 PolarHBondContact N-O 3.21Å; E749-K766 PolarHBondContact O-N 3.21Å; E749-K766 WeakPolarHBondContact OE2-CD 3.2Å; E749-K766 IonicContact OE2-NZ 2.74Å; E749-K766 PolarHBondContact OE2-NZ 3.45Å; E749-I768 HydrophobicContact CG-CD1 3.87Å; E749-I768 HydrophobicContact CG-CG1 3.83Å
750	M	94.1	Very high	85	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.5	163.7	-69.3	-173.1	61.4	0	0	109.3	I714 L718 M732 L733 W748 V763 R764 F765 I782	I714-M750 HydrophobicContact CG1-CE 4.27Å; I714-M750 HydrophobicContact CG2-CE 3.62Å; I714-M750 HydrophobicContact CG2-SD 4.24Å; L718-M750 HydrophobicContact CD1-SD 4.18Å; L718-M750 HydrophobicContact CD2-SD 4.04Å; L718-M750 HydrophobicContact CG-SD 4.42Å; M732-M750 CarbonylContact C-O 3.59Å; M732-M750 VanDerWaalsContact CA-O 3.3Å; M732-M750 WeakPolarHBondContact CA-O 3.41Å; L733-M750 PolarHBondContact N-O 3.08Å; L733-M750 PolarHBondContact O-N 2.97Å; W748-M750 VanDerWaalsContact NE1-CG 3.27Å; W748-M750 PolarHBondContact NE1-SD 2.69Å; W748-M750 VanDerWaalsContact NE1-SD 3.42Å; M750-V763 HydrophobicContact CE-CG1 3.73Å; M750-R764 WeakPolarHBondContact CA-O 3.45Å; M750-F765 HydrophobicContact CE-CD1 4.16Å; M750-F765 HydrophobicContact CE-CE1 3.44Å; M750-F765 VanDerWaalsContact CE-CE1 3.44Å; M750-F765 HydrophobicContact CE-CE2 4.32Å; M750-F765 HydrophobicContact CE-CZ 3.54Å; M750-F765 HydrophobicContact CG-CD1 3.96Å; M750-F765 HydrophobicContact CG-CE1 4.18Å; M750-F765 HydrophobicContact SD-CD1 4.09Å; M750-F765 HydrophobicContact SD-CE1 3.72Å; M750-F765 HydrophobicContact SD-CZ 4.43Å; M750-I782 HydrophobicContact CE-CG2 3.98Å; M750-I782 HydrophobicContact SD-CG2 4.38Å
751	E	94.3	Very high	85.5	Confident	6 Å²	6	57.9 Å²	57.9	3%	0.028	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.1	-176.2	-170.4	-173.2	165.4	0	0	110.8	R691 L693 Y731 M732 C753 V763 R764	R691-E751 IonicContact CZ-OE1 3.2Å; R691-E751 IonicContact CZ-OE2 3.19Å; R691-E751 IonicContact NE-OE1 3.25Å; R691-E751 PolarHBondContact NE-OE1 3.41Å; R691-E751 IonicContact NH2-OE1 2.94Å; R691-E751 PolarHBondContact NH2-OE1 3.08Å; R691-E751 IonicContact NH2-OE2 2.67Å; R691-E751 PolarHBondContact NH2-OE2 2.94Å; L693-E751 WeakPolarHBondContact CD1-OE1 3.4Å; Y731-E751 CarbonylContact O-C 3.5Å; Y731-E751 VanDerWaalsContact O-CA 3.29Å; Y731-E751 WeakPolarHBondContact O-CA 3.4Å; M732-E751 HydrophobicContact CB-CG 4.36Å; M732-E751 HydrophobicContact CE-CG 4.05Å; M732-E751 HydrophobicContact CG-CB 4.24Å; M732-E751 HydrophobicContact CG-CG 4.44Å; E751-C753 VanDerWaalsContact CG-SG 3.56Å; E751-V763 WeakPolarHBondContact O-CA 3.45Å; E751-R764 HydrophobicContact CB-CB 4.32Å; E751-R764 PolarHBondContact N-O 3.27Å; E751-R764 PolarHBondContact O-N 3.26Å
752	V	94.3	Very high	86.5	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.8	167.2	177.4	0	0	0	0	108.4	P690 P707 M710 M711 I714 Y731 N761	P690-V752 WeakPolarHBondContact CB-O 3.42Å; P707-V752 HydrophobicContact CB-CG1 4.03Å; M710-V752 HydrophobicContact CB-CG1 4.47Å; M710-V752 HydrophobicContact CB-CG2 4.04Å; M710-V752 HydrophobicContact CE-CG1 4.41Å; M710-V752 HydrophobicContact SD-CG1 3.79Å; M711-V752 HydrophobicContact CG-CG2 4.03Å; M711-V752 HydrophobicContact SD-CB 4.43Å; M711-V752 HydrophobicContact SD-CG2 3.7Å; I714-V752 HydrophobicContact CD1-CG2 3.61Å; Y731-V752 PolarHBondContact O-N 3.23Å; V752-N761 HydrophobicContact CG1-CB 4.13Å
753	C	91.8	Very high	87.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.1	-175	-59.3	0	0	0	0	110.6	R691 L693 F695 E751 N761 G762	R691-C753 CarbonylContact O-C 3.37Å; R691-C753 WeakPolarHBondContact O-CA 3.44Å; L693-C753 HydrophobicContact CB-CB 4.47Å; F695-C753 HydrophobicContact CD1-CB 4.26Å; F695-C753 HydrophobicContact CE1-CB 3.49Å; F695-C753 VanDerWaalsContact CE1-CB 3.49Å; F695-C753 HydrophobicContact CZ-CB 4.11Å; E751-C753 VanDerWaalsContact CG-SG 3.56Å; C753-N761 CarbonylContact O-C 3.54Å; C753-N761 VanDerWaalsContact O-CA 3.32Å; C753-N761 WeakPolarHBondContact O-CA 3.48Å; C753-G762 PolarHBondContact N-O 3.16Å; C753-G762 PolarHBondContact O-N 3.21Å
754	K	89.8	Confident	87.8	Confident	102 Å²	102	40.6 Å²	40.6	44%	0.443	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.4	168.5	-175.5	174.5	-177.3	176.8	0	109.7	P690 R691 S692 L693 P756	P690-K754 HydrophobicContact CB-CB 4.36Å; R691-K754 PolarHBondContact O-N 2.92Å; S692-K754 WeakPolarHBondContact CA-O 3.21Å; L693-K754 PolarHBondContact N-O 3.14Å; K754-P756 WeakPolarHBondContact O-CD 3.42Å
755	L	83.6	Confident	88.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-84.1	121.2	178.9	-59.6	-174.5	0	0	0	111.2	F695 W697 T702 L758 L760	F695-L755 HydrophobicContact CD1-CD2 4.44Å; F695-L755 HydrophobicContact CE1-CD2 3.47Å; F695-L755 VanDerWaalsContact CE1-CD2 3.47Å; F695-L755 HydrophobicContact CZ-CD2 3.71Å; W697-L755 HydrophobicContact CB-CD1 4.05Å; W697-L755 HydrophobicContact CB-CD2 3.64Å; W697-L755 HydrophobicContact CD2-CD1 3.86Å; W697-L755 HydrophobicContact CE3-CD1 4.07Å; W697-L755 HydrophobicContact CG-CD1 3.84Å; W697-L755 HydrophobicContact CG-CD2 3.83Å; W697-L755 HydrophobicContact CG-CG 4.48Å; T702-L755 HydrophobicContact CG2-CD1 3.42Å; T702-L755 VanDerWaalsContact CG2-CD1 3.42Å; L755-L758 HydrophobicContact CB-CB 4.24Å; L755-L758 HydrophobicContact CB-CD1 4.37Å; L755-L758 HydrophobicContact CD1-CD1 3.96Å; L755-L760 WeakPolarHBondContact CB-O 3.38Å; L755-L760 PolarHBondContact N-O 3.34Å
756	P	72.6	Confident	88	Confident	59 Å²	59	38.2 Å²	38.2	38%	0.383	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	142.5	173	-25.6	35	0	0	0	111.7	L693 K754 L758	L693-P756 WeakPolarHBondContact O-CD 3.49Å; K754-P756 WeakPolarHBondContact O-CD 3.42Å; P756-L758 PolarHBondContact O-N 3.45Å
757	R	71.3	Confident	87.9	Confident	254 Å²	254	40.3 Å²	40.3	96%	0.958	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	-16.7	177.5	-48.9	175.1	-177.3	172.5	0.2	117.1
758	L	70.3	Confident	87.7	Confident	77 Å²	77	39.5 Å²	39.5	40%	0.403	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-20.9	-179.6	-66.8	178.6	0	0	0	114.5	W697 L755 P756 L760	W697-L758 HydrophobicContact CD2-CD1 4.46Å; W697-L758 HydrophobicContact CH2-CD1 3.71Å; W697-L758 HydrophobicContact CZ2-CD1 3.61Å; W697-L758 HydrophobicContact CZ3-CD1 4.17Å; L755-L758 HydrophobicContact CB-CB 4.24Å; L755-L758 HydrophobicContact CB-CD1 4.37Å; L755-L758 HydrophobicContact CD1-CD1 3.96Å; P756-L758 PolarHBondContact O-N 3.45Å; L758-L760 HydrophobicContact CB-CB 4.39Å; L758-L760 HydrophobicContact CB-CG 4.39Å; L758-L760 PolarHBondContact O-N 3.04Å; L758-L760 VanDerWaalsContact O-N 3.15Å
759	S	79.9	Confident	87.4	Confident	103 Å²	103	40 Å²	40	72%	0.72	19%	0.193	S	C	*	.			trans	58.7	17.8	-172.3	-60.4	0	0	0	0	114.7
760	L	89	Confident	87	Confident	58 Å²	58	40.7 Å²	40.7	30%	0.304	20%	0.203	S	C	.	.			trans	-104.2	166	173.2	-60.7	179.1	0	0	0	110.3	T702 L755 L758	T702-L760 HydrophobicContact CG2-CB 3.92Å; T702-L760 HydrophobicContact CG2-CD1 3.8Å; L755-L760 WeakPolarHBondContact CB-O 3.38Å; L755-L760 PolarHBondContact N-O 3.34Å; L758-L760 HydrophobicContact CB-CB 4.39Å; L758-L760 HydrophobicContact CB-CG 4.39Å; L758-L760 PolarHBondContact O-N 3.04Å; L758-L760 VanDerWaalsContact O-N 3.15Å
761	N	91.6	Very high	86.4	Confident	22 Å²	22	43.7 Å²	43.7	12%	0.118	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	151	170.5	-56.6	-61.1	0	0	0	109.6	T702 S703 M705 M710 V752 C753	T702-N761 CarbonylContact C-O 3.56Å; T702-N761 WeakPolarHBondContact CA-O 3.39Å; S703-N761 PolarHBondContact N-O 3.44Å; S703-N761 PolarHBondContact O-N 2.96Å; M705-N761 PolarHBondContact O-ND2 2.92Å; M710-N761 HydrophobicContact CE-CB 4.25Å; M710-N761 HydrophobicContact SD-CB 3.54Å; M710-N761 VanDerWaalsContact SD-CB 3.54Å; V752-N761 HydrophobicContact CG1-CB 4.13Å; C753-N761 CarbonylContact O-C 3.54Å; C753-N761 VanDerWaalsContact O-CA 3.32Å; C753-N761 WeakPolarHBondContact O-CA 3.48Å
762	G	91.4	Very high	85.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	147.5	177	0	0	0	0	0	112.4	T701 C753	T701-G762 CarbonylContact O-C 3.59Å; T701-G762 WeakPolarHBondContact O-CA 3.42Å; C753-G762 PolarHBondContact N-O 3.16Å; C753-G762 PolarHBondContact O-N 3.21Å
763	V	93.1	Very high	85.1	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.5	176.9	-167.2	0	0	0	0	109.6	T701 M710 I714 M750 E751 F765 L788	T701-V763 PolarHBondContact O-N 3.49Å; M710-V763 HydrophobicContact CE-CG2 4.01Å; I714-V763 HydrophobicContact CD1-CG1 3.95Å; I714-V763 HydrophobicContact CD1-CG2 3.8Å; I714-V763 HydrophobicContact CG1-CG2 4.42Å; M750-V763 HydrophobicContact CE-CG1 3.73Å; E751-V763 WeakPolarHBondContact O-CA 3.45Å; V763-F765 HydrophobicContact CB-CE2 4.18Å; V763-F765 HydrophobicContact CG1-CD2 4.33Å; V763-F765 HydrophobicContact CG1-CE2 3.86Å; V763-F765 HydrophobicContact CG1-CZ 4.3Å; V763-L788 HydrophobicContact CG2-CD1 3.61Å
764	R	89.3	Confident	84.8	Confident	27 Å²	27	47.2 Å²	47.2	10%	0.102	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.6	167.3	-177.5	-176.5	-173.1	175.9	10.7	109.1	S133 F695 M750 E751	S133-R764 PolarHBondContact O-NH2 3.07Å; F695-R764 HydrophobicContact CD2-CB 3.78Å; F695-R764 HydrophobicContact CD2-CG 3.78Å; F695-R764 HydrophobicContact CE1-CB 4.39Å; F695-R764 HydrophobicContact CE2-CB 3.61Å; F695-R764 HydrophobicContact CE2-CG 4.14Å; F695-R764 HydrophobicContact CG-CB 4.25Å; F695-R764 HydrophobicContact CG-CG 4.12Å; F695-R764 HydrophobicContact CZ-CB 3.93Å; M750-R764 WeakPolarHBondContact CA-O 3.45Å; E751-R764 HydrophobicContact CB-CB 4.32Å; E751-R764 PolarHBondContact N-O 3.27Å; E751-R764 PolarHBondContact O-N 3.26Å
765	F	90.9	Very high	84.8	Confident	34 Å²	34	42.5 Å²	42.5	15%	0.149	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.1	165.5	-61.7	-111.3	0	0	0	107.7	T701 E749 M750 V763 F775 A779 I782 A783 L786	T701-F765 HydrophobicContact CG2-CE2 4.05Å; E749-F765 WeakPolarHBondContact O-CA 3.5Å; M750-F765 HydrophobicContact CE-CD1 4.16Å; M750-F765 HydrophobicContact CE-CE1 3.44Å; M750-F765 VanDerWaalsContact CE-CE1 3.44Å; M750-F765 HydrophobicContact CE-CE2 4.32Å; M750-F765 HydrophobicContact CE-CZ 3.54Å; M750-F765 HydrophobicContact CG-CD1 3.96Å; M750-F765 HydrophobicContact CG-CE1 4.18Å; M750-F765 HydrophobicContact SD-CD1 4.09Å; M750-F765 HydrophobicContact SD-CE1 3.72Å; M750-F765 HydrophobicContact SD-CZ 4.43Å; V763-F765 HydrophobicContact CB-CE2 4.18Å; V763-F765 HydrophobicContact CG1-CD2 4.33Å; V763-F765 HydrophobicContact CG1-CE2 3.86Å; V763-F765 HydrophobicContact CG1-CZ 4.3Å; F765-F775 HydrophobicContact CB-CZ 3.96Å; F765-A779 HydrophobicContact CD1-CB 3.83Å; F765-A779 HydrophobicContact CE1-CB 4.24Å; F765-I782 HydrophobicContact CE1-CB 4.3Å; F765-I782 HydrophobicContact CE1-CG2 3.97Å; F765-I782 HydrophobicContact CZ-CG2 4.09Å; F765-A783 HydrophobicContact CE2-CB 4.32Å; F765-A783 HydrophobicContact CZ-CB 4.06Å; F765-L786 HydrophobicContact CZ-CD1 4.18Å
766	K	87.4	Confident	84.7	Confident	18 Å²	18	44.4 Å²	44.4	8%	0.078	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	121.6	175.4	179.8	-166.6	152.5	-149.4	0	110.7	W748 E749	W748-K766 CarbonylContact C-O 3.36Å; W748-K766 VanDerWaalsContact CA-O 3.29Å; W748-K766 WeakPolarHBondContact CA-O 3.33Å; W748-K766 VanDerWaalsContact CB-O 3.3Å; W748-K766 WeakPolarHBondContact CB-O 3Å; E749-K766 HydrophobicContact CB-CB 4.47Å; E749-K766 PolarHBondContact N-O 3.21Å; E749-K766 PolarHBondContact O-N 3.21Å; E749-K766 WeakPolarHBondContact OE2-CD 3.2Å; E749-K766 IonicContact OE2-NZ 2.74Å; E749-K766 PolarHBondContact OE2-NZ 3.45Å
767	R	90.6	Very high	85.5	Confident	43 Å²	43	46.5 Å²	46.5	16%	0.162	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	146.5	177.8	-163.4	177.8	63.9	95.7	0.1	111.6	E136 G770 S772 F775	E136-R767 IonicContact OE1-CZ 3.63Å; E136-R767 VanDerWaalsContact OE1-CZ 3.25Å; E136-R767 IonicContact OE1-NE 2.8Å; E136-R767 PolarHBondContact OE1-NE 3Å; E136-R767 VanDerWaalsContact OE1-NE 3.1Å; E136-R767 IonicContact OE1-NH2 2.73Å; E136-R767 PolarHBondContact OE1-NH2 3.3Å; E136-R767 IonicContact OE2-CZ 2.76Å; E136-R767 IonicContact OE2-NE 3.14Å; E136-R767 PolarHBondContact OE2-NE 3.34Å; E136-R767 IonicContact OE2-NH2 3.36Å; E136-R767 PolarHBondContact OE2-NH2 3.34Å; R767-G770 PolarHBondContact NH1-O 3.23Å; R767-S772 WeakPolarHBondContact CD-OG 3.46Å; R767-S772 PolarHBondContact NE-OG 3.3Å; R767-F775 HydrophobicContact CB-CD1 3.98Å; R767-F775 HydrophobicContact CB-CD2 4.26Å; R767-F775 HydrophobicContact CB-CE1 4.13Å; R767-F775 HydrophobicContact CB-CE2 4.39Å; R767-F775 HydrophobicContact CB-CG 4.05Å; R767-F775 HydrophobicContact CB-CZ 4.32Å; R767-F775 HydrophobicContact CG-CB 4.16Å; R767-F775 HydrophobicContact CG-CD1 4.31Å; R767-F775 HydrophobicContact CG-CD2 4.31Å; R767-F775 HydrophobicContact CG-CG 3.99Å
768	I	88.8	Confident	86.5	Confident	11 Å²	11	34.9 Å²	34.9	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-39.3	175.4	-60.5	-65.1	0	0	0	111.3	G60 K61 Q747 E749	G60-I768 CarbonylContact C-O 3.17Å; G60-I768 WeakPolarHBondContact CA-O 3.39Å; K61-I768 PolarHBondContact N-O 3.03Å; Q747-I768 HydrophobicContact CG-CB 4.45Å; Q747-I768 WeakPolarHBondContact O-CA 3.36Å; Q747-I768 WeakPolarHBondContact O-CB 3.33Å; Q747-I768 PolarHBondContact O-N 3.48Å; E749-I768 HydrophobicContact CG-CD1 3.87Å; E749-I768 HydrophobicContact CG-CG1 3.83Å
769	S	87.6	Confident	87.5	Confident	9 Å²	9	31.3 Å²	31.3	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	173.3	167.3	71.2	0	0	0	0	111.5	K61 V746 Q747	K61-S769 WeakPolarHBondContact O-CB 3.34Å; V746-S769 WeakPolarHBondContact CG2-O 3.34Å; Q747-S769 WeakPolarHBondContact CB-OG 3.02Å; Q747-S769 PolarHBondContact N-O 3.2Å; Q747-S769 PolarHBondContact O-N 3.18Å
770	G	85.6	Confident	87.9	Confident	26 Å²	26	28 Å²	28	27%	0.268	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	94.2	169.2	-172.6	0	0	0	0	0	113.4	F745 R767	F745-G770 WeakPolarHBondContact O-CA 3.38Å; R767-G770 PolarHBondContact NH1-O 3.23Å
771	T	82.4	Confident	88	Confident	65 Å²	65	29.8 Å²	29.8	40%	0.399	16%	0.158	S	C	.	.			trans	-71.8	145.1	179.1	69.4	0	0	0	0	111	E743 M773 A774 F775	E743-T771 PolarHBondContact O-OG1 2.97Å; T771-M773 PolarHBondContact O-N 3.15Å; T771-A774 PolarHBondContact O-N 3.18Å; T771-A774 WeakPolarHBondContact OG1-CB 3.38Å; T771-A774 PolarHBondContact OG1-N 3.05Å; T771-A774 VanDerWaalsContact OG1-N 3.16Å; T771-F775 PolarHBondContact O-N 3.32Å
772	S	79.1	Confident	88.1	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-66.5	-26.9	177.9	-83.7	0	0	0	0	112.7	E136 F138 E179 R767 F775 K776	E136-S772 PolarHBondContact OE2-OG 3.07Å; F138-S772 WeakPolarHBondContact CE1-O 3.29Å; F138-S772 VanDerWaalsContact CZ-O 3.25Å; F138-S772 WeakPolarHBondContact CZ-O 3.28Å; E179-S772 VanDerWaalsContact CG-CB 3.43Å; E179-S772 WeakPolarHBondContact CG-OG 3.48Å; R767-S772 WeakPolarHBondContact CD-OG 3.46Å; R767-S772 PolarHBondContact NE-OG 3.3Å; S772-F775 PolarHBondContact O-N 2.95Å; S772-K776 WeakPolarHBondContact O-CB 3.19Å; S772-K776 PolarHBondContact O-N 3.09Å
773	M	80.3	Confident	88.1	Confident	63 Å²	63	29.5 Å²	29.5	31%	0.31	16%	0.159	S	C	.	.	H	α-helix	trans	-68.8	-42.3	172	-160.9	64.8	74.3	0	0	112.5	L248 T771 F775 K776 N777	L248-M773 HydrophobicContact CD1-CE 3.72Å; L248-M773 HydrophobicContact CG-CE 4.3Å; T771-M773 PolarHBondContact O-N 3.15Å; M773-F775 VanDerWaalsContact C-N 3.35Å; M773-K776 PolarHBondContact O-N 2.96Å; M773-K776 HydrophobicContact SD-CD 4.24Å; M773-N777 PolarHBondContact O-N 3.03Å; M773-N777 VanDerWaalsContact O-N 3.1Å; M773-N777 PolarHBondContact O-ND2 3.47Å
774	A	85.9	Confident	88	Confident	16 Å²	16	34.2 Å²	34.2	13%	0.132	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-45.2	172.9	0	0	0	0	0	111.2	V746 T771 K776 N777 I778	V746-A774 HydrophobicContact CB-CB 4.46Å; T771-A774 PolarHBondContact O-N 3.18Å; T771-A774 WeakPolarHBondContact OG1-CB 3.38Å; T771-A774 PolarHBondContact OG1-N 3.05Å; T771-A774 VanDerWaalsContact OG1-N 3.16Å; A774-K776 PolarHBondContact O-N 2.77Å; A774-N777 PolarHBondContact O-N 3.38Å; A774-I778 PolarHBondContact O-N 3.19Å; A774-I778 VanDerWaalsContact O-N 3.14Å
775	F	89.3	Confident	88.2	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-48.1	174.2	178.2	-115.9	0	0	0	112.8	D139 V142 V746 W748 F765 R767 T771 S772 M773 N777 I778 A779	D139-F775 WeakPolarHBondContact OD1-CE1 3.13Å; V142-F775 HydrophobicContact CG2-CD1 4.38Å; V142-F775 HydrophobicContact CG2-CE1 4.39Å; V746-F775 HydrophobicContact CG2-CB 3.74Å; V746-F775 HydrophobicContact CG2-CD2 3.96Å; V746-F775 HydrophobicContact CG2-CG 4.31Å; W748-F775 HydrophobicContact CB-CD2 3.94Å; W748-F775 HydrophobicContact CB-CE2 3.53Å; W748-F775 AromaticContact CD1-CE2 3.98Å; W748-F775 HydrophobicContact CD2-CE2 4.45Å; W748-F775 HydrophobicContact CG-CD2 4.17Å; W748-F775 AromaticContact CG-CE2 3.71Å; W748-F775 HydrophobicContact CG-CE2 3.71Å; F765-F775 HydrophobicContact CB-CZ 3.96Å; R767-F775 HydrophobicContact CB-CD1 3.98Å; R767-F775 HydrophobicContact CB-CD2 4.26Å; R767-F775 HydrophobicContact CB-CE1 4.13Å; R767-F775 HydrophobicContact CB-CE2 4.39Å; R767-F775 HydrophobicContact CB-CG 4.05Å; R767-F775 HydrophobicContact CB-CZ 4.32Å; R767-F775 HydrophobicContact CG-CB 4.16Å; R767-F775 HydrophobicContact CG-CD1 4.31Å; R767-F775 HydrophobicContact CG-CD2 4.31Å; R767-F775 HydrophobicContact CG-CG 3.99Å; T771-F775 PolarHBondContact O-N 3.32Å; S772-F775 PolarHBondContact O-N 2.95Å; M773-F775 VanDerWaalsContact C-N 3.35Å; F775-N777 VanDerWaalsContact C-N 3.28Å; F775-N777 PolarHBondContact O-N 3.04Å; F775-I778 PolarHBondContact O-N 3.18Å; F775-A779 HydrophobicContact CD2-CB 4.25Å; F775-A779 HydrophobicContact CE2-CB 3.92Å; F775-A779 HydrophobicContact CZ-CB 4.12Å; F775-A779 WeakPolarHBondContact O-CB 2.95Å; F775-A779 PolarHBondContact O-N 3.37Å
776	K	83.3	Confident	88.3	Confident	42 Å²	42	35.7 Å²	35.7	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-54.4	-46.5	176.1	-177.9	168	-179.1	-178.8	0	111.8	F138 V142 G246 S772 M773 A774 S780	F138-K776 HydrophobicContact CE1-CB 3.79Å; F138-K776 HydrophobicContact CE1-CD 4.29Å; F138-K776 HydrophobicContact CZ-CB 3.87Å; F138-K776 HydrophobicContact CZ-CD 3.82Å; F138-K776 HydrophobicContact CZ-CG 4.45Å; V142-K776 HydrophobicContact CG1-CG 4.41Å; V142-K776 HydrophobicContact CG2-CB 3.88Å; V142-K776 HydrophobicContact CG2-CG 3.97Å; G246-K776 PolarHBondContact O-NZ 3.06Å; S772-K776 WeakPolarHBondContact O-CB 3.19Å; S772-K776 PolarHBondContact O-N 3.09Å; M773-K776 PolarHBondContact O-N 2.96Å; M773-K776 HydrophobicContact SD-CD 4.24Å; A774-K776 PolarHBondContact O-N 2.77Å; K776-S780 WeakPolarHBondContact O-CB 3.34Å; K776-S780 PolarHBondContact O-N 3.19Å; K776-S780 PolarHBondContact O-OG 3.38Å
777	N	88.3	Confident	88.5	Confident	103 Å²	103	42.3 Å²	42.3	55%	0.551	22%	0.222	S	C	*	.	H	α-helix	trans	-65.1	-49.6	-174.3	-68.7	-17.1	0	0	0	111	M773 A774 F775 K781	M773-N777 PolarHBondContact O-N 3.03Å; M773-N777 VanDerWaalsContact O-N 3.1Å; M773-N777 PolarHBondContact O-ND2 3.47Å; A774-N777 PolarHBondContact O-N 3.38Å; F775-N777 VanDerWaalsContact C-N 3.28Å; F775-N777 PolarHBondContact O-N 3.04Å; N777-K781 WeakPolarHBondContact O-CB 3.23Å; N777-K781 PolarHBondContact O-N 2.88Å
778	I	92.9	Very high	88.5	Confident	11 Å²	11	42.9 Å²	42.9	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-72.3	-43.5	-179.6	-164.9	57.8	0	0	0	112.5	N721 H737 V746 W748 A774 F775 S780 K781 I782	N721-I778 HydrophobicContact CB-CD1 4.49Å; H737-I778 HydrophobicContact CB-CG1 4.2Å; V746-I778 HydrophobicContact CG1-CG2 3.79Å; W748-I778 HydrophobicContact CH2-CG1 4Å; W748-I778 HydrophobicContact CH2-CG2 4.11Å; W748-I778 HydrophobicContact CZ2-CG1 4.41Å; W748-I778 HydrophobicContact CZ2-CG2 4.45Å; W748-I778 HydrophobicContact CZ3-CG2 4.15Å; A774-I778 PolarHBondContact O-N 3.19Å; A774-I778 VanDerWaalsContact O-N 3.14Å; F775-I778 PolarHBondContact O-N 3.18Å; I778-S780 PolarHBondContact O-N 2.89Å; I778-K781 PolarHBondContact O-N 3.38Å; I778-I782 HydrophobicContact CD1-CD1 4.36Å; I778-I782 HydrophobicContact CG1-CD1 3.91Å; I778-I782 WeakPolarHBondContact O-CG1 3.19Å; I778-I782 PolarHBondContact O-N 3.17Å
779	A	91.1	Very high	88.4	Confident	2 Å²	2	44.5 Å²	44.5	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-38.8	-179.3	0	0	0	0	0	111.9	V142 F765 F775 K781 A783	V142-A779 HydrophobicContact CG1-CB 4.08Å; F765-A779 HydrophobicContact CD1-CB 3.83Å; F765-A779 HydrophobicContact CE1-CB 4.24Å; F775-A779 HydrophobicContact CD2-CB 4.25Å; F775-A779 HydrophobicContact CE2-CB 3.92Å; F775-A779 HydrophobicContact CZ-CB 4.12Å; F775-A779 WeakPolarHBondContact O-CB 2.95Å; F775-A779 PolarHBondContact O-N 3.37Å; A779-K781 VanDerWaalsContact C-N 3.34Å; A779-A783 WeakPolarHBondContact O-CB 3.47Å; A779-A783 PolarHBondContact O-N 2.94Å
780	S	87.3	Confident	88.5	Confident	34 Å²	34	46.4 Å²	46.4	24%	0.238	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-37.1	174.2	-58.6	0	0	0	0	111.9	K776 I778 N784	K776-S780 WeakPolarHBondContact O-CB 3.34Å; K776-S780 PolarHBondContact O-N 3.19Å; K776-S780 PolarHBondContact O-OG 3.38Å; I778-S780 PolarHBondContact O-N 2.89Å; S780-N784 PolarHBondContact O-N 2.97Å; S780-N784 VanDerWaalsContact O-N 3.17Å; S780-N784 PolarHBondContact O-ND2 3Å
781	K	91.4	Very high	88.7	Confident	95 Å²	95	47.5 Å²	47.5	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-54.1	177	-172.3	-178.7	176.6	-154.2	0	110.6	N721 N777 I778 A779 A783 N784 E785	N721-K781 WeakPolarHBondContact OD1-CD 3.23Å; N721-K781 WeakPolarHBondContact OD1-CE 3.34Å; N721-K781 PolarHBondContact OD1-NZ 3.39Å; N777-K781 WeakPolarHBondContact O-CB 3.23Å; N777-K781 PolarHBondContact O-N 2.88Å; I778-K781 PolarHBondContact O-N 3.38Å; A779-K781 VanDerWaalsContact C-N 3.34Å; K781-A783 VanDerWaalsContact C-N 3.32Å; K781-A783 PolarHBondContact O-N 3.44Å; K781-N784 PolarHBondContact O-N 3.26Å; K781-E785 WeakPolarHBondContact CE-OE1 3.42Å; K781-E785 WeakPolarHBondContact CG-OE1 3.38Å; K781-E785 PolarHBondContact O-N 3.5Å; K781-E785 VanDerWaalsContact O-N 3.14Å
782	I	94.4	Very high	89	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-55	-47.3	175.7	-66	161.5	0	0	0	110.8	V717 L718 W748 M750 F765 I778 N784 E785 L786	V717-I782 HydrophobicContact CG1-CB 4.41Å; V717-I782 HydrophobicContact CG1-CG1 4.47Å; V717-I782 HydrophobicContact CG1-CG2 4.01Å; L718-I782 HydrophobicContact CD2-CD1 3.66Å; W748-I782 HydrophobicContact CH2-CD1 4.39Å; W748-I782 HydrophobicContact CZ2-CD1 3.61Å; M750-I782 HydrophobicContact CE-CG2 3.98Å; M750-I782 HydrophobicContact SD-CG2 4.38Å; F765-I782 HydrophobicContact CE1-CB 4.3Å; F765-I782 HydrophobicContact CE1-CG2 3.97Å; F765-I782 HydrophobicContact CZ-CG2 4.09Å; I778-I782 HydrophobicContact CD1-CD1 4.36Å; I778-I782 HydrophobicContact CG1-CD1 3.91Å; I778-I782 WeakPolarHBondContact O-CG1 3.19Å; I778-I782 PolarHBondContact O-N 3.17Å; I782-N784 PolarHBondContact O-N 2.78Å; I782-N784 VanDerWaalsContact O-N 3.15Å; I782-E785 PolarHBondContact O-N 2.64Å; I782-L786 HydrophobicContact CG2-CD1 4.07Å; I782-L786 HydrophobicContact CG2-CG 4.17Å; I782-L786 WeakPolarHBondContact O-CG 3.44Å; I782-L786 PolarHBondContact O-N 2.98Å
783	A	90.9	Very high	89.6	Confident	16 Å²	16	49.3 Å²	49.3	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-10.4	179.2	0	0	0	0	0	115.3	T701 F765 A779 K781	T701-A783 HydrophobicContact CG2-CB 3.78Å; F765-A783 HydrophobicContact CE2-CB 4.32Å; F765-A783 HydrophobicContact CZ-CB 4.06Å; A779-A783 WeakPolarHBondContact O-CB 3.47Å; A779-A783 PolarHBondContact O-N 2.94Å; K781-A783 VanDerWaalsContact C-N 3.32Å; K781-A783 PolarHBondContact O-N 3.44Å
784	N	90.6	Very high	90.3	Very high	101 Å²	101	48.4 Å²	48.4	54%	0.54	25%	0.245	S	C	.	.	H	α-helix	trans	-97.6	-21.3	170.2	-68.1	-37.1	0	0	0	112.9	K700 S780 K781 I782	K700-N784 PolarHBondContact NZ-OD1 3.05Å; S780-N784 PolarHBondContact O-N 2.97Å; S780-N784 VanDerWaalsContact O-N 3.17Å; S780-N784 PolarHBondContact O-ND2 3Å; K781-N784 PolarHBondContact O-N 3.26Å; I782-N784 PolarHBondContact O-N 2.78Å; I782-N784 VanDerWaalsContact O-N 3.15Å
785	E	94.3	Very high	90.6	Very high	78 Å²	78	50.7 Å²	50.7	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-98	-20.2	-175.5	-71.3	175.3	-166.6	0	0	113.3	V717 N721 K781 I782 K787	V717-E785 HydrophobicContact CG1-CB 3.86Å; N721-E785 PolarHBondContact ND2-OE2 2.89Å; K781-E785 WeakPolarHBondContact CE-OE1 3.42Å; K781-E785 WeakPolarHBondContact CG-OE1 3.38Å; K781-E785 PolarHBondContact O-N 3.5Å; K781-E785 VanDerWaalsContact O-N 3.14Å; I782-E785 PolarHBondContact O-N 2.64Å; E785-K787 PolarHBondContact O-N 3.18Å
786	L	93.7	Very high	90.7	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	27%	0.272	C	S	.	.			trans	-56.6	127.6	171	-79.7	171.1	0	0	0	112.3	T701 E713 I714 V717 F765 I782 L788	T701-L786 HydrophobicContact CG2-CD1 4.38Å; E713-L786 HydrophobicContact CG-CD2 4.43Å; I714-L786 HydrophobicContact CB-CD2 4.33Å; I714-L786 HydrophobicContact CG1-CD2 3.69Å; V717-L786 HydrophobicContact CB-CD2 4.29Å; V717-L786 HydrophobicContact CG2-CD2 4.18Å; F765-L786 HydrophobicContact CZ-CD1 4.18Å; I782-L786 HydrophobicContact CG2-CD1 4.07Å; I782-L786 HydrophobicContact CG2-CG 4.17Å; I782-L786 WeakPolarHBondContact O-CG 3.44Å; I782-L786 PolarHBondContact O-N 2.98Å; L786-L788 HydrophobicContact CB-CD1 4.1Å; L786-L788 HydrophobicContact CB-CG 4.16Å; L786-L788 HydrophobicContact CD1-CD1 4.12Å; L786-L788 HydrophobicContact CD2-CD1 4.38Å; L786-L788 HydrophobicContact CD2-CG 4.47Å; L786-L788 HydrophobicContact CG-CD1 4.44Å
787	K	91.9	Very high	91.3	Very high	157 Å²	157	55.5 Å²	55.5	68%	0.683	28%	0.28	S	S	*	.			trans	-111.3	80.9	177.4	-66.4	171.6	-174	175.5	0	109.5	E713 E785	E713-K787 HydrophobicContact CG-CB 4.45Å; E785-K787 PolarHBondContact O-N 3.18Å
788	L	88.7	Confident	91.6	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.288	26%	0.255	S	S	.	.			trans	-107.8	0	-175.8	-58	171.6	0	0	0	110.4	S703 M705 M710 E713 V763 L786	S703-L788 WeakPolarHBondContact CB-OXT 2.85Å; S703-L788 PolarHBondContact OG-OXT 2.84Å; M705-L788 HydrophobicContact SD-CD2 4Å; M710-L788 HydrophobicContact CB-CD2 3.99Å; M710-L788 HydrophobicContact CE-CD1 3.95Å; M710-L788 HydrophobicContact CE-CD2 4.24Å; M710-L788 HydrophobicContact CG-CD2 4.04Å; E713-L788 HydrophobicContact CB-CD2 4.25Å; E713-L788 HydrophobicContact CG-CD2 4.5Å; V763-L788 HydrophobicContact CG2-CD1 3.61Å; L786-L788 HydrophobicContact CB-CD1 4.1Å; L786-L788 HydrophobicContact CB-CG 4.16Å; L786-L788 HydrophobicContact CD1-CD1 4.12Å; L786-L788 HydrophobicContact CD2-CD1 4.38Å; L786-L788 HydrophobicContact CD2-CG 4.47Å; L786-L788 HydrophobicContact CG-CD1 4.44Å

Retrieved 788 of 788 residues in 151.3 ms (Link to these results)

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