A0A096N3Q5_PAPAN Loading...

DNA-(apurinic or apyrimidinic site) endonuclease

Initiates repair of AP sites in DNA by catalyzing hydrolytic incision of the phosphodiester backbone immediately adjacent to the damage, generating a single-strand break with 5'-deoxyribose phosphate and 3'-hydroxyl ends.

AlphaFold DB , UniProt , Accession A0A096N3Q5, Species PAPAN (Papio anubis, Olive baboon), Gene APEX2, Length 518 aa.

Structure Viewer

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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	92.2	Very high	96.8	Very high	158 Å²	158	23.4 Å²	23.4	78%	0.778	11%	0.112	S	C	*	.				0	153.3	0	-63.4	-177.2	-170.6	0	0	107.5	V310 L311 V313	M1-V310 HydrophobicContact CB-CG1 4.07Å; M1-V310 HydrophobicContact CG-CG1 4.48Å; M1-V310 HydrophobicContact SD-CG1 3.99Å; M1-L311 CarbonylContact C-O 3.49Å; M1-L311 WeakPolarHBondContact CA-O 3.47Å; M1-L311 WeakPolarHBondContact CB-O 3.45Å; M1-V313 CarbonylContact C-O 3.58Å; M1-V313 WeakPolarHBondContact CA-O 3.39Å; M1-V313 PolarHBondContact N-O 2.96Å
2	L	97.7	Very high	96	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.4	173.4	178.6	75.2	0	0	0	107.6	V4 D42 I43 I140 L150 L311 V313	L2-V4 HydrophobicContact CD2-CG1 4.27Å; L2-V4 HydrophobicContact CG-CG1 4.24Å; L2-D42 WeakPolarHBondContact CA-OD2 3.45Å; L2-D42 HydrophobicContact CD1-CB 3.62Å; L2-I43 HydrophobicContact CD1-CD1 4.36Å; L2-I140 HydrophobicContact CD2-CG2 4.15Å; L2-L150 HydrophobicContact CD2-CD2 3.97Å; L2-L311 HydrophobicContact CB-CB 4.46Å; L2-L311 PolarHBondContact N-O 3.47Å; L2-L311 PolarHBondContact O-N 3.4Å; L2-V313 HydrophobicContact CB-CG2 3.71Å; L2-V313 HydrophobicContact CD2-CG2 4.2Å
3	R	98.6	Very high	95.1	Very high	67 Å²	67	28.8 Å²	28.8	25%	0.253	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.7	176.1	178.4	166.1	159.9	-174.5	-5.7	110.1	L39 D40 A41 D42 I43 F294 A309 V310	R3-L39 PolarHBondContact NH2-O 2.97Å; R3-D40 WeakPolarHBondContact CD-O 3.36Å; R3-D40 PolarHBondContact NE-O 3.49Å; R3-D40 PolarHBondContact NH1-O 3.41Å; R3-A41 HydrophobicContact CG-CB 3.99Å; R3-D42 PolarHBondContact N-OD2 3.31Å; R3-D42 PolarHBondContact O-N 3.08Å; R3-I43 PolarHBondContact O-N 3.02Å; R3-F294 HydrophobicContact CG-CZ 4.48Å; R3-A309 WeakPolarHBondContact CA-O 3.21Å; R3-V310 HydrophobicContact CB-CG2 4.46Å; R3-V310 HydrophobicContact CG-CG2 4.28Å
4	V	98.8	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.6	178.4	-56.5	0	0	0	0	109.6	L2 I43 L152 G308 A309 L311	L2-V4 HydrophobicContact CD2-CG1 4.27Å; L2-V4 HydrophobicContact CG-CG1 4.24Å; V4-I43 WeakPolarHBondContact CA-O 3.23Å; V4-I43 HydrophobicContact CG1-CB 4.31Å; V4-I43 HydrophobicContact CG1-CD1 4.26Å; V4-L152 HydrophobicContact CG1-CD2 4.11Å; V4-G308 CarbonylContact O-C 3.6Å; V4-G308 WeakPolarHBondContact O-CA 3.24Å; V4-A309 HydrophobicContact CG2-CB 4.1Å; V4-A309 PolarHBondContact N-O 2.67Å; V4-A309 PolarHBondContact O-N 2.57Å; V4-L311 HydrophobicContact CG2-CD1 4.4Å
5	V	98.9	Very high	91.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.3	179.8	168.1	0	0	0	0	109.7	L39 A41 I43 V44 C45 F294 P306 V307	V5-L39 HydrophobicContact CG1-CB 4.46Å; V5-L39 HydrophobicContact CG1-CD1 4.15Å; V5-L39 HydrophobicContact CG1-CD2 4.23Å; V5-A41 HydrophobicContact CB-CB 3.95Å; V5-A41 HydrophobicContact CG2-CB 3.67Å; V5-I43 PolarHBondContact N-O 3.08Å; V5-V44 CarbonylContact O-C 3.53Å; V5-V44 WeakPolarHBondContact O-CA 3.42Å; V5-C45 PolarHBondContact O-N 3.33Å; V5-F294 HydrophobicContact CG2-CE2 4.22Å; V5-F294 HydrophobicContact CG2-CZ 3.95Å; V5-P306 HydrophobicContact CG1-CB 3.99Å; V5-V307 CarbonylContact C-O 3.59Å; V5-V307 WeakPolarHBondContact CA-O 3.35Å
6	S	98.8	Very high	89.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.2	172.5	-141	0	0	0	0	110.5	C45 Q47 G196 P306 V307	S6-C45 CarbonylContact C-O 3.49Å; S6-C45 VanDerWaalsContact CA-O 3.23Å; S6-C45 WeakPolarHBondContact CA-O 3.46Å; S6-C45 PolarHBondContact OG-O 3.48Å; S6-Q47 PolarHBondContact OG-NE2 3.47Å; S6-Q47 PolarHBondContact OG-OE1 3.05Å; S6-G196 VanDerWaalsContact OG-CA 3.24Å; S6-G196 WeakPolarHBondContact OG-CA 3.41Å; S6-G196 PolarHBondContact OG-N 2.98Å; S6-P306 CarbonylContact O-C 3.47Å; S6-P306 VanDerWaalsContact O-CA 3.29Å; S6-P306 WeakPolarHBondContact O-CA 3.5Å; S6-V307 PolarHBondContact N-O 2.83Å; S6-V307 PolarHBondContact O-N 3.3Å
7	W	98.6	Very high	86.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	121.4	176.3	-172.9	29	0	0	0	112.7	I9 I35 L39 C45 L46 Q47 V299 M300 H304 P306	W7-I9 HydrophobicContact CD2-CB 4.46Å; W7-I9 HydrophobicContact CD2-CG1 4.4Å; W7-I9 HydrophobicContact CE3-CB 4.38Å; W7-I9 HydrophobicContact CE3-CD1 4Å; W7-I9 HydrophobicContact CE3-CG1 3.97Å; W7-I9 HydrophobicContact CH2-CG1 4.24Å; W7-I9 HydrophobicContact CZ3-CD1 3.84Å; W7-I9 HydrophobicContact CZ3-CG1 3.88Å; W7-I9 PolarHBondContact O-N 3.19Å; W7-I9 VanDerWaalsContact O-N 3.15Å; W7-I35 HydrophobicContact CE3-CG2 4.2Å; W7-I35 HydrophobicContact CZ3-CD1 4.41Å; W7-I35 HydrophobicContact CZ3-CG1 4.44Å; W7-I35 HydrophobicContact CZ3-CG2 3.79Å; W7-L39 HydrophobicContact CE3-CD1 4.31Å; W7-C45 PolarHBondContact N-O 2.95Å; W7-L46 HydrophobicContact CB-CD2 4.17Å; W7-L46 HydrophobicContact CE3-CD2 4.3Å; W7-L46 WeakPolarHBondContact O-CA 3.37Å; W7-Q47 PolarHBondContact O-N 2.86Å; W7-Q47 PolarHBondContact O-OE1 2.84Å; W7-V299 HydrophobicContact CH2-CG1 4.13Å; W7-V299 HydrophobicContact CZ2-CG1 4.22Å; W7-M300 WeakPolarHBondContact CH2-O 3.09Å; W7-M300 WeakPolarHBondContact CZ2-O 3.33Å; W7-H304 PolarHBondContact NE1-O 3.02Å; W7-P306 HydrophobicContact CB-CB 4.09Å; W7-P306 HydrophobicContact CB-CG 4.26Å; W7-P306 HydrophobicContact CD2-CG 3.94Å; W7-P306 HydrophobicContact CE3-CG 4.47Å; W7-P306 HydrophobicContact CG-CB 4.17Å; W7-P306 HydrophobicContact CG-CG 3.85Å
8	N	98.4	Very high	84.6	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	106.1	161.9	-177.2	-17.8	0	0	0	109.8	N10 Q47 E48 D197 S302 H304	N8-N10 PolarHBondContact OD1-N 3.1Å; N8-N10 VanDerWaalsContact OD1-N 3.1Å; N8-Q47 HydrophobicContact CB-CB 4.03Å; N8-E48 VanDerWaalsContact OD1-CB 3.24Å; N8-E48 WeakPolarHBondContact OD1-CB 3.46Å; N8-D197 HydrophobicContact CB-CB 4.21Å; N8-D197 PolarHBondContact ND2-OD2 3.22Å; N8-S302 WeakPolarHBondContact O-CB 3.31Å; N8-S302 PolarHBondContact O-OG 3.05Å; N8-H304 HydrophobicContact CB-CB 4.01Å; N8-H304 PolarHBondContact ND2-NE2 3.1Å
9	I	95.6	Very high	82.6	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.041	25%	0.25	C	C	.	.			trans	-88	-5	-172.6	-159	166.6	0	0	0	113	W7 G11 I12 I35 L46 Q47	W7-I9 HydrophobicContact CD2-CB 4.46Å; W7-I9 HydrophobicContact CD2-CG1 4.4Å; W7-I9 HydrophobicContact CE3-CB 4.38Å; W7-I9 HydrophobicContact CE3-CD1 4Å; W7-I9 HydrophobicContact CE3-CG1 3.97Å; W7-I9 HydrophobicContact CH2-CG1 4.24Å; W7-I9 HydrophobicContact CZ3-CD1 3.84Å; W7-I9 HydrophobicContact CZ3-CG1 3.88Å; W7-I9 PolarHBondContact O-N 3.19Å; W7-I9 VanDerWaalsContact O-N 3.15Å; I9-G11 PolarHBondContact O-N 2.96Å; I9-G11 VanDerWaalsContact O-N 3.08Å; I9-I12 HydrophobicContact CD1-CG1 4.34Å; I9-I12 HydrophobicContact CG2-CB 4.23Å; I9-I35 HydrophobicContact CD1-CD1 3.97Å; I9-L46 HydrophobicContact CD1-CD1 4.07Å; I9-L46 HydrophobicContact CD1-CD2 4.34Å; I9-Q47 PolarHBondContact N-O 2.83Å
10	N	94.3	Very high	80.2	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.064	27%	0.272	C	S	.	.	S	Bend	trans	50.6	33.5	-179.2	-167.3	-9.7	0	0	0	113.2	N8 R14 K50 D303	N8-N10 PolarHBondContact OD1-N 3.1Å; N8-N10 VanDerWaalsContact OD1-N 3.1Å; N10-R14 PolarHBondContact ND2-NH1 2.6Å; N10-R14 WeakPolarHBondContact O-CD 3.47Å; N10-R14 PolarHBondContact O-NE 3.01Å; N10-R14 VanDerWaalsContact O-NE 3.1Å; N10-R14 PolarHBondContact O-NH1 2.79Å; N10-R14 PolarHBondContact O-NH2 3.41Å; N10-R14 VanDerWaalsContact OD1-CZ 3.23Å; N10-R14 PolarHBondContact OD1-NH1 3.37Å; N10-R14 PolarHBondContact OD1-NH2 2.88Å; N10-K50 PolarHBondContact OD1-NZ 2.69Å; N10-D303 PolarHBondContact ND2-OD1 2.87Å; N10-D303 PolarHBondContact ND2-OD2 3.15Å
11	G	92.6	Very high	78.2	Confident	6 Å²	6	53.8 Å²	53.8	6%	0.062	30%	0.296	C	S	.	.			trans	110.9	104.1	178.5	0	0	0	0	0	114.2	I9 R13 R14 E48 T49	I9-G11 PolarHBondContact O-N 2.96Å; I9-G11 VanDerWaalsContact O-N 3.08Å; G11-R13 PolarHBondContact O-N 3.15Å; G11-R14 WeakPolarHBondContact O-CB 3.22Å; G11-R14 PolarHBondContact O-N 3.19Å; G11-E48 WeakPolarHBondContact CA-O 3.4Å; G11-E48 PolarHBondContact N-O 3.26Å; G11-T49 CarbonylContact C-O 3.49Å; G11-T49 WeakPolarHBondContact CA-O 3.21Å
12	I	88.1	Confident	75.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.6	-174	-160.3	171.9	0	0	0	114.7	I9 V32 L46 T49 V51 F85	I9-I12 HydrophobicContact CD1-CG1 4.34Å; I9-I12 HydrophobicContact CG2-CB 4.23Å; I12-V32 HydrophobicContact CD1-CG1 4.39Å; I12-V32 HydrophobicContact CD1-CG2 3.98Å; I12-V32 HydrophobicContact CG1-CG2 3.64Å; I12-L46 HydrophobicContact CD1-CD1 3.77Å; I12-L46 HydrophobicContact CG1-CD1 4.24Å; I12-T49 WeakPolarHBondContact CG2-O 3.35Å; I12-T49 PolarHBondContact N-O 2.83Å; I12-V51 HydrophobicContact CG2-CB 4.46Å; I12-V51 HydrophobicContact CG2-CG2 3.51Å; I12-F85 HydrophobicContact CD1-CE2 4.25Å; I12-F85 HydrophobicContact CD1-CZ 4.29Å
13	R	83.9	Confident	73.1	Confident	116 Å²	116	62.1 Å²	62.1	44%	0.438	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.6	177.3	-67.7	-175.9	-70.8	-178.5	-5.5	114	G11 K50 V51 L60	G11-R13 PolarHBondContact O-N 3.15Å; R13-K50 PolarHBondContact NH2-O 2.83Å; R13-V51 HydrophobicContact CG-CG2 4.08Å; R13-L60 HydrophobicContact CG-CD1 3.66Å
14	R	75.1	Confident	70.4	Confident	117 Å²	117	64.9 Å²	64.9	44%	0.442	36%	0.36	S	S	.	.	S	Bend	trans	-77.8	143.1	176.1	-71.8	-171.6	179.7	165.6	14.7	111.3	N10 G11 V16	N10-R14 PolarHBondContact ND2-NH1 2.6Å; N10-R14 WeakPolarHBondContact O-CD 3.47Å; N10-R14 PolarHBondContact O-NE 3.01Å; N10-R14 VanDerWaalsContact O-NE 3.1Å; N10-R14 PolarHBondContact O-NH1 2.79Å; N10-R14 PolarHBondContact O-NH2 3.41Å; N10-R14 VanDerWaalsContact OD1-CZ 3.23Å; N10-R14 PolarHBondContact OD1-NH1 3.37Å; N10-R14 PolarHBondContact OD1-NH2 2.88Å; G11-R14 WeakPolarHBondContact O-CB 3.22Å; G11-R14 PolarHBondContact O-N 3.19Å; R14-V16 PolarHBondContact O-N 3.33Å
15	P	58.8	Low	67.8	Low	103 Å²	103	68.8 Å²	68.8	67%	0.669	39%	0.387	S	S	*	.			trans	-64.8	126.6	166.6	-17.8	31.3	0	0	0	110.5	Q17	P15-Q17 PolarHBondContact O-N 3.17Å
16	V	57.2	Low	65.5	Low	23 Å²	23	77 Å²	77	14%	0.139	43%	0.431	C	S	.	.			trans	-69.5	113.7	173.8	177.5	0	0	0	0	109.3	R14 G18 V19 I35	R14-V16 PolarHBondContact O-N 3.33Å; V16-G18 PolarHBondContact O-N 2.92Å; V16-V19 HydrophobicContact CB-CG2 3.97Å; V16-V19 HydrophobicContact CG1-CG2 3.86Å; V16-V19 PolarHBondContact O-N 3.4Å; V16-I35 HydrophobicContact CG2-CD1 3.53Å; V16-I35 HydrophobicContact CG2-CG1 3.91Å
17	Q	47.6	Very low	63.5	Low	152 Å²	152	80.2 Å²	80.2	71%	0.71	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	121.3	173.8	-70.1	-172.6	-47.8	0	0	109.7	P15 M300	P15-Q17 PolarHBondContact O-N 3.17Å; Q17-M300 WeakPolarHBondContact O-CB 3.16Å
18	G	47.4	Very low	61.5	Low	77 Å²	77	81.8 Å²	81.8	79%	0.794	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.9	-39.5	-167.9	0	0	0	0	0	110.6	V16 A20	V16-G18 PolarHBondContact O-N 2.92Å; G18-A20 PolarHBondContact O-N 3.35Å
19	V	46.3	Very low	59.6	Low	52 Å²	52	82.8 Å²	82.8	32%	0.315	48%	0.475	S	S	.	.			trans	-87.2	15.1	-177.8	-158.4	0	0	0	0	112.6	V16 N21 R34	V16-V19 HydrophobicContact CB-CG2 3.97Å; V16-V19 HydrophobicContact CG1-CG2 3.86Å; V16-V19 PolarHBondContact O-N 3.4Å; V19-N21 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 2.95Å; V19-R34 VanDerWaalsContact CG1-NH2 3.34Å
20	A	35.4	Very low	58	Low	84 Å²	84	86.3 Å²	86.3	69%	0.694	50%	0.496	S	S	*	.			trans	-88.7	59	-169.4	0	0	0	0	0	113.4	G18	G18-A20 PolarHBondContact O-N 3.35Å
21	N	38.5	Very low	57.1	Low	147 Å²	147	87 Å²	87	79%	0.786	50%	0.504	S	S	*	.	S	Bend	trans	-154.7	139.4	160.8	-94.2	-42.5	0	0	0	109.3	V19	V19-N21 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 2.95Å
22	Q	42.3	Very low	56.7	Low	175 Å²	175	86.8 Å²	86.8	82%	0.818	50%	0.502	S	S	*	.	S	Bend	trans	64.5	81.5	-178	-54.1	177.7	10.4	0	0	115.2
23	E	39.8	Very low	56.7	Low	159 Å²	159	87.3 Å²	87.3	74%	0.743	51%	0.507	S	S	*	.				164.6	139.8	120.6	-87.8	-55.6	100.6	0	0	111.3	S25	E23-S25 VanDerWaalsContact C-N 3.28Å; E23-S25 PolarHBondContact O-N 3.13Å
24	P	42.9	Very low	56.8	Low	125 Å²	125	87.3 Å²	87.3	81%	0.812	51%	0.507	S	S	*	.			trans	-86.2	25.7	-172.1	35.9	-35.9	0	0	0	114.6
25	S	43.4	Very low	57.5	Low	83 Å²	83	82.3 Å²	82.3	58%	0.58	49%	0.489	S	S	*	.			trans	-117.2	102.6	-176.8	61	0	0	0	0	113.4	E23 C27	E23-S25 VanDerWaalsContact C-N 3.28Å; E23-S25 PolarHBondContact O-N 3.13Å; S25-C27 PolarHBondContact O-N 2.71Å
26	N	50	Low	59.1	Low	173 Å²	173	77.4 Å²	77.4	93%	0.925	46%	0.457	S	S	*	.			trans	-69.3	88.9	172.7	-82.7	-47.8	0	0	0	111.1
27	C	56.5	Low	60.8	Low	67 Å²	67	82.7 Å²	82.7	45%	0.453	48%	0.48	S	S	.	.			trans	-128.5	108	169.2	-156.2	0	0	0	0	110.9	S25 A29 V30	S25-C27 PolarHBondContact O-N 2.71Å; C27-A29 HydrophobicContact CB-CB 4.47Å; C27-A29 PolarHBondContact O-N 3Å; C27-A29 VanDerWaalsContact SG-CB 3.57Å; C27-V30 HydrophobicContact CB-CG2 4.32Å; C27-V30 PolarHBondContact O-N 3.22Å
28	A	58.6	Low	62.8	Low	35 Å²	35	80.9 Å²	80.9	29%	0.289	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-18.4	-179.8	0	0	0	0	0	113.2	V30 A31 V32 L60	A28-V30 VanDerWaalsContact C-N 3.35Å; A28-V30 PolarHBondContact O-N 2.78Å; A28-A31 WeakPolarHBondContact O-CB 3.35Å; A28-A31 PolarHBondContact O-N 3.07Å; A28-V32 PolarHBondContact O-N 3.4Å; A28-V32 VanDerWaalsContact O-N 3.08Å; A28-L60 HydrophobicContact CB-CD2 3.83Å
29	A	57.3	Low	65.1	Low	22 Å²	22	77.3 Å²	77.3	18%	0.182	43%	0.434	C	S	.	.	H	α-helix	trans	-47.4	-53.9	165.1	0	0	0	0	0	113.1	C27 A31 V32 G33 P59	C27-A29 HydrophobicContact CB-CB 4.47Å; C27-A29 PolarHBondContact O-N 3Å; C27-A29 VanDerWaalsContact SG-CB 3.57Å; A29-A31 VanDerWaalsContact C-N 3.27Å; A29-A31 PolarHBondContact O-N 3Å; A29-V32 PolarHBondContact O-N 3.32Å; A29-G33 PolarHBondContact O-N 3.47Å; A29-G33 VanDerWaalsContact O-N 3.08Å; A29-P59 HydrophobicContact CB-CB 3.28Å; A29-P59 HydrophobicContact CB-CG 4.43Å
30	V	61.9	Low	67.4	Low	82 Å²	82	78.8 Å²	78.8	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-71.3	-29	-174.9	-178.2	0	0	0	0	110.2	C27 A28 R34	C27-V30 HydrophobicContact CB-CG2 4.32Å; C27-V30 PolarHBondContact O-N 3.22Å; A28-V30 VanDerWaalsContact C-N 3.35Å; A28-V30 PolarHBondContact O-N 2.78Å; V30-R34 HydrophobicContact CG1-CG 4.41Å; V30-R34 WeakPolarHBondContact O-CB 3.11Å; V30-R34 WeakPolarHBondContact O-CG 3.45Å; V30-R34 PolarHBondContact O-N 3.16Å; V30-R34 VanDerWaalsContact O-N 3.14Å
31	A	74.7	Confident	70.4	Confident	28 Å²	28	74.9 Å²	74.9	23%	0.231	41%	0.408	C	S	.	.	H	α-helix	trans	-65.6	-49.6	172	0	0	0	0	0	111.6	A28 A29 R34 I35	A28-A31 WeakPolarHBondContact O-CB 3.35Å; A28-A31 PolarHBondContact O-N 3.07Å; A29-A31 VanDerWaalsContact C-N 3.27Å; A29-A31 PolarHBondContact O-N 3Å; A31-R34 PolarHBondContact O-N 2.91Å; A31-I35 WeakPolarHBondContact O-CB 3.33Å; A31-I35 WeakPolarHBondContact O-CD1 3.49Å; A31-I35 WeakPolarHBondContact O-CG1 3.15Å; A31-I35 PolarHBondContact O-N 2.95Å
32	V	86.1	Confident	73.3	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.006	38%	0.376	C	S	.	.	H	α-helix	trans	-64.9	-42.9	-179.6	-178.9	0	0	0	0	111.8	I12 A28 A29 R34 I35 L36 L60 V63 F85	I12-V32 HydrophobicContact CD1-CG1 4.39Å; I12-V32 HydrophobicContact CD1-CG2 3.98Å; I12-V32 HydrophobicContact CG1-CG2 3.64Å; A28-V32 PolarHBondContact O-N 3.4Å; A28-V32 VanDerWaalsContact O-N 3.08Å; A29-V32 PolarHBondContact O-N 3.32Å; V32-R34 PolarHBondContact O-N 3.2Å; V32-I35 PolarHBondContact O-N 3.07Å; V32-L36 HydrophobicContact CG1-CD1 4.07Å; V32-L36 HydrophobicContact CG1-CG 4.45Å; V32-L36 WeakPolarHBondContact O-CG 3.22Å; V32-L36 PolarHBondContact O-N 3.22Å; V32-L36 VanDerWaalsContact O-N 3.07Å; V32-L60 HydrophobicContact CG2-CD2 3.6Å; V32-V63 HydrophobicContact CG1-CG2 4.01Å; V32-F85 HydrophobicContact CG1-CE1 4.23Å; V32-F85 HydrophobicContact CG1-CZ 4.03Å
33	G	86.8	Confident	76	Confident	12 Å²	12	60.6 Å²	60.6	12%	0.124	34%	0.338	C	S	.	.	H	α-helix	trans	-55.7	-52.4	175	0	0	0	0	0	112.3	A29 I35 L36 E37	A29-G33 PolarHBondContact O-N 3.47Å; A29-G33 VanDerWaalsContact O-N 3.08Å; G33-I35 VanDerWaalsContact C-N 3.33Å; G33-I35 PolarHBondContact O-N 2.85Å; G33-L36 PolarHBondContact O-N 3.38Å; G33-L36 VanDerWaalsContact O-N 3.13Å; G33-E37 WeakPolarHBondContact O-CG 3.02Å; G33-E37 PolarHBondContact O-N 3.43Å
34	R	85.6	Confident	78.8	Confident	116 Å²	116	53 Å²	53	44%	0.438	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-33.9	179.5	-70.2	177.1	69.4	167.5	6.4	113.5	V19 V30 A31 V32 E37 E38	V19-R34 VanDerWaalsContact CG1-NH2 3.34Å; V30-R34 HydrophobicContact CG1-CG 4.41Å; V30-R34 WeakPolarHBondContact O-CB 3.11Å; V30-R34 WeakPolarHBondContact O-CG 3.45Å; V30-R34 PolarHBondContact O-N 3.16Å; V30-R34 VanDerWaalsContact O-N 3.14Å; A31-R34 PolarHBondContact O-N 2.91Å; V32-R34 PolarHBondContact O-N 3.2Å; R34-E37 PolarHBondContact O-N 3.05Å; R34-E38 WeakPolarHBondContact O-CB 3.46Å; R34-E38 PolarHBondContact O-N 2.9Å
35	I	89.4	Confident	81.4	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.062	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-44.4	173.3	-71	161.9	0	0	0	110.7	W7 I9 V16 A31 V32 G33 E37 E38 L39	W7-I35 HydrophobicContact CE3-CG2 4.2Å; W7-I35 HydrophobicContact CZ3-CD1 4.41Å; W7-I35 HydrophobicContact CZ3-CG1 4.44Å; W7-I35 HydrophobicContact CZ3-CG2 3.79Å; I9-I35 HydrophobicContact CD1-CD1 3.97Å; V16-I35 HydrophobicContact CG2-CD1 3.53Å; V16-I35 HydrophobicContact CG2-CG1 3.91Å; A31-I35 WeakPolarHBondContact O-CB 3.33Å; A31-I35 WeakPolarHBondContact O-CD1 3.49Å; A31-I35 WeakPolarHBondContact O-CG1 3.15Å; A31-I35 PolarHBondContact O-N 2.95Å; V32-I35 PolarHBondContact O-N 3.07Å; G33-I35 VanDerWaalsContact C-N 3.33Å; G33-I35 PolarHBondContact O-N 2.85Å; I35-E37 VanDerWaalsContact C-N 3.31Å; I35-E37 PolarHBondContact O-N 2.68Å; I35-E38 PolarHBondContact O-N 3.28Å; I35-L39 HydrophobicContact CG2-CD1 3.72Å; I35-L39 HydrophobicContact CG2-CG 4.27Å; I35-L39 WeakPolarHBondContact O-CB 3.24Å; I35-L39 WeakPolarHBondContact O-CG 3.38Å; I35-L39 PolarHBondContact O-N 3.32Å
36	L	93.8	Very high	84.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.7	-31.6	179.8	-64.9	172.2	0	0	0	112.2	V32 G33 V44 V63 Y66 F85	V32-L36 HydrophobicContact CG1-CD1 4.07Å; V32-L36 HydrophobicContact CG1-CG 4.45Å; V32-L36 WeakPolarHBondContact O-CG 3.22Å; V32-L36 PolarHBondContact O-N 3.22Å; V32-L36 VanDerWaalsContact O-N 3.07Å; G33-L36 PolarHBondContact O-N 3.38Å; G33-L36 VanDerWaalsContact O-N 3.13Å; L36-V44 HydrophobicContact CD2-CB 3.63Å; L36-V44 HydrophobicContact CD2-CG1 3.83Å; L36-V44 HydrophobicContact CD2-CG2 3.73Å; L36-V63 HydrophobicContact CD1-CB 4.24Å; L36-V63 HydrophobicContact CD1-CG1 4.13Å; L36-V63 HydrophobicContact CD1-CG2 4.08Å; L36-Y66 HydrophobicContact CB-CE1 4.2Å; L36-Y66 HydrophobicContact CB-CE2 3.96Å; L36-Y66 HydrophobicContact CD1-CD1 4.25Å; L36-Y66 HydrophobicContact CD1-CD2 4.25Å; L36-Y66 HydrophobicContact CD1-CE1 4.36Å; L36-Y66 HydrophobicContact CD1-CE2 4.36Å; L36-Y66 HydrophobicContact CD1-CG 4.22Å; L36-Y66 HydrophobicContact CD2-CE1 4.47Å; L36-Y66 PolarHBondContact O-OH 3.04Å; L36-Y66 VanDerWaalsContact O-OH 3.13Å; L36-F85 HydrophobicContact CD1-CB 4.11Å; L36-F85 HydrophobicContact CD1-CD1 3.59Å; L36-F85 HydrophobicContact CD1-CE1 4.12Å; L36-F85 HydrophobicContact CD1-CG 3.86Å; L36-F85 HydrophobicContact CD2-CB 3.85Å; L36-F85 HydrophobicContact CD2-CD2 4.35Å; L36-F85 HydrophobicContact CD2-CG 4.05Å
37	E	91.6	Very high	86.4	Confident	135 Å²	135	35 Å²	35	63%	0.631	19%	0.192	S	C	*	.	H	α-helix	trans	-67.7	-49.6	169.8	-68.4	165	179	0	0	112	G33 R34 I35 L39 D40	G33-E37 WeakPolarHBondContact O-CG 3.02Å; G33-E37 PolarHBondContact O-N 3.43Å; R34-E37 PolarHBondContact O-N 3.05Å; I35-E37 VanDerWaalsContact C-N 3.31Å; I35-E37 PolarHBondContact O-N 2.68Å; E37-L39 PolarHBondContact O-N 3.13Å; E37-D40 PolarHBondContact O-N 3.47Å; E37-D40 VanDerWaalsContact O-N 3.13Å
38	E	90.8	Very high	88.3	Confident	113 Å²	113	33 Å²	33	53%	0.528	18%	0.177	S	C	.	.	H	α-helix	trans	-65.8	-36	-177	-174.8	175.3	172.3	0	0	112.9	R34 I35 D40	R34-E38 WeakPolarHBondContact O-CB 3.46Å; R34-E38 PolarHBondContact O-N 2.9Å; I35-E38 PolarHBondContact O-N 3.28Å; E38-D40 PolarHBondContact O-N 3.43Å
39	L	94.8	Very high	90.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.6	175.2	-66.3	176	0	0	0	113.8	R3 V5 W7 I35 E37 A41 V44 L296 V299 P306	R3-L39 PolarHBondContact NH2-O 2.97Å; V5-L39 HydrophobicContact CG1-CB 4.46Å; V5-L39 HydrophobicContact CG1-CD1 4.15Å; V5-L39 HydrophobicContact CG1-CD2 4.23Å; W7-L39 HydrophobicContact CE3-CD1 4.31Å; I35-L39 HydrophobicContact CG2-CD1 3.72Å; I35-L39 HydrophobicContact CG2-CG 4.27Å; I35-L39 WeakPolarHBondContact O-CB 3.24Å; I35-L39 WeakPolarHBondContact O-CG 3.38Å; I35-L39 PolarHBondContact O-N 3.32Å; E37-L39 PolarHBondContact O-N 3.13Å; L39-A41 PolarHBondContact O-N 3.37Å; L39-V44 HydrophobicContact CB-CG2 4.49Å; L39-V44 HydrophobicContact CD1-CG1 3.81Å; L39-V44 HydrophobicContact CD1-CG2 4.46Å; L39-L296 HydrophobicContact CD2-CD1 4.12Å; L39-V299 HydrophobicContact CD2-CG1 4.41Å; L39-P306 HydrophobicContact CD2-CB 3.86Å; L39-P306 HydrophobicContact CD2-CG 3.47Å; L39-P306 VanDerWaalsContact CD2-CG 3.47Å
40	D	95.8	Very high	91.9	Very high	84 Å²	84	32.2 Å²	32.2	45%	0.449	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	22.7	72.1	-173	-175.3	35.2	0	0	0	115.1	R3 E37 E38 K87	R3-D40 WeakPolarHBondContact CD-O 3.36Å; R3-D40 PolarHBondContact NE-O 3.49Å; R3-D40 PolarHBondContact NH1-O 3.41Å; E37-D40 PolarHBondContact O-N 3.47Å; E37-D40 VanDerWaalsContact O-N 3.13Å; E38-D40 PolarHBondContact O-N 3.43Å; D40-K87 IonicContact OD1-NZ 3.83Å; D40-K87 PolarHBondContact OD1-NZ 3.14Å
41	A	98	Very high	93.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	14%	0.139	C	C	.	.			trans	-128.3	150.6	178.4	0	0	0	0	0	111.1	R3 V5 L39 I43 V44 K87	R3-A41 HydrophobicContact CG-CB 3.99Å; V5-A41 HydrophobicContact CB-CB 3.95Å; V5-A41 HydrophobicContact CG2-CB 3.67Å; L39-A41 PolarHBondContact O-N 3.37Å; A41-I43 VanDerWaalsContact C-N 3.27Å; A41-V44 HydrophobicContact CB-CG2 3.84Å; A41-K87 WeakPolarHBondContact O-CE 3.43Å
42	D	98.6	Very high	94.2	Very high	22 Å²	22	27.3 Å²	27.3	12%	0.118	13%	0.13	C	C	.	.	S	Bend	trans	-69.4	-31.2	172.3	-59.1	-71.8	0	0	0	111.1	L2 R3 C86 K87 N89 A90	L2-D42 WeakPolarHBondContact CA-OD2 3.45Å; L2-D42 HydrophobicContact CD1-CB 3.62Å; R3-D42 PolarHBondContact N-OD2 3.31Å; R3-D42 PolarHBondContact O-N 3.08Å; D42-C86 CarbonylContact O-C 3.55Å; D42-C86 WeakPolarHBondContact O-CA 3.37Å; D42-K87 PolarHBondContact O-N 2.94Å; D42-N89 PolarHBondContact OD1-ND2 3.07Å; D42-A90 HydrophobicContact CB-CB 4.08Å
43	I	98.8	Very high	94.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.8	176.4	-49.2	167.5	0	0	0	109.8	L2 R3 V4 V5 A41 T84 F85 C86 A90 H138 L152	L2-I43 HydrophobicContact CD1-CD1 4.36Å; R3-I43 PolarHBondContact O-N 3.02Å; V4-I43 WeakPolarHBondContact CA-O 3.23Å; V4-I43 HydrophobicContact CG1-CB 4.31Å; V4-I43 HydrophobicContact CG1-CD1 4.26Å; V5-I43 PolarHBondContact N-O 3.08Å; A41-I43 VanDerWaalsContact C-N 3.27Å; I43-T84 HydrophobicContact CG2-CG2 3.63Å; I43-F85 CarbonylContact C-O 3.55Å; I43-F85 WeakPolarHBondContact CA-O 3.2Å; I43-C86 HydrophobicContact CG1-CB 4.47Å; I43-A90 HydrophobicContact CD1-CB 4.46Å; I43-A90 HydrophobicContact CG1-CB 3.96Å; I43-H138 VanDerWaalsContact CD1-CE1 3.43Å; I43-H138 WeakPolarHBondContact CD1-CE1 3.44Å; I43-L152 HydrophobicContact CB-CD2 4.22Å; I43-L152 HydrophobicContact CD1-CD2 3.82Å; I43-L152 HydrophobicContact CG2-CD2 3.79Å
44	V	98.8	Very high	94.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.4	176.2	-179.3	0	0	0	0	110	V5 L36 L39 A41 L46 T84 F85	V5-V44 CarbonylContact O-C 3.53Å; V5-V44 WeakPolarHBondContact O-CA 3.42Å; L36-V44 HydrophobicContact CD2-CB 3.63Å; L36-V44 HydrophobicContact CD2-CG1 3.83Å; L36-V44 HydrophobicContact CD2-CG2 3.73Å; L39-V44 HydrophobicContact CB-CG2 4.49Å; L39-V44 HydrophobicContact CD1-CG1 3.81Å; L39-V44 HydrophobicContact CD1-CG2 4.46Å; A41-V44 HydrophobicContact CB-CG2 3.84Å; V44-L46 HydrophobicContact CG1-CD2 3.72Å; V44-L46 HydrophobicContact CG1-CG 4.15Å; V44-T84 WeakPolarHBondContact O-CA 3.47Å; V44-F85 PolarHBondContact N-O 2.91Å; V44-F85 PolarHBondContact O-N 3.02Å
45	C	98.9	Very high	94.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109	175.9	-71	0	0	0	0	110.1	V5 S6 W7 Q47 N154 L195	V5-C45 PolarHBondContact O-N 3.33Å; S6-C45 CarbonylContact C-O 3.49Å; S6-C45 VanDerWaalsContact CA-O 3.23Å; S6-C45 WeakPolarHBondContact CA-O 3.46Å; S6-C45 PolarHBondContact OG-O 3.48Å; W7-C45 PolarHBondContact N-O 2.95Å; C45-Q47 PolarHBondContact O-NE2 3.13Å; C45-N154 HydrophobicContact CB-CB 4.08Å; C45-L195 HydrophobicContact CB-CD1 4.04Å; C45-L195 HydrophobicContact CB-CG 4.04Å
46	L	98.6	Very high	94.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.5	175.8	-58.3	-176.9	0	0	0	111.2	W7 I9 I12 V44 T49 V82 A83 F85	W7-L46 HydrophobicContact CB-CD2 4.17Å; W7-L46 HydrophobicContact CE3-CD2 4.3Å; W7-L46 WeakPolarHBondContact O-CA 3.37Å; I9-L46 HydrophobicContact CD1-CD1 4.07Å; I9-L46 HydrophobicContact CD1-CD2 4.34Å; I12-L46 HydrophobicContact CD1-CD1 3.77Å; I12-L46 HydrophobicContact CG1-CD1 4.24Å; V44-L46 HydrophobicContact CG1-CD2 3.72Å; V44-L46 HydrophobicContact CG1-CG 4.15Å; L46-T49 HydrophobicContact CB-CG2 4.29Å; L46-V82 WeakPolarHBondContact O-CA 2.95Å; L46-A83 PolarHBondContact N-O 3.13Å; L46-A83 PolarHBondContact O-N 2.79Å; L46-F85 HydrophobicContact CD1-CD2 4.32Å; L46-F85 HydrophobicContact CD1-CE2 3.99Å
47	Q	98.7	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	157.2	172.9	-62.3	77.7	51.2	0	0	112	S6 W7 N8 I9 C45 T49 V82 N154 V155 Y156 G196	S6-Q47 PolarHBondContact OG-NE2 3.47Å; S6-Q47 PolarHBondContact OG-OE1 3.05Å; W7-Q47 PolarHBondContact O-N 2.86Å; W7-Q47 PolarHBondContact O-OE1 2.84Å; N8-Q47 HydrophobicContact CB-CB 4.03Å; I9-Q47 PolarHBondContact N-O 2.83Å; C45-Q47 PolarHBondContact O-NE2 3.13Å; Q47-T49 PolarHBondContact O-N 3.37Å; Q47-V82 HydrophobicContact CG-CG1 4.31Å; Q47-N154 PolarHBondContact NE2-OD1 2.98Å; Q47-V155 WeakPolarHBondContact CG-O 3.33Å; Q47-Y156 HydrophobicContact CB-CD2 4.41Å; Q47-Y156 HydrophobicContact CB-CG 4.43Å; Q47-G196 VanDerWaalsContact CD-CA 3.46Å
48	E	97	Very high	94.3	Very high	27 Å²	27	33.4 Å²	33.4	13%	0.126	17%	0.168	C	C	.	.			trans	51.9	51.1	-179.3	-142.1	-165	-174.1	0	0	113.7	N8 G11 K50 S80 G81 Y156	N8-E48 VanDerWaalsContact OD1-CB 3.24Å; N8-E48 WeakPolarHBondContact OD1-CB 3.46Å; G11-E48 WeakPolarHBondContact CA-O 3.4Å; G11-E48 PolarHBondContact N-O 3.26Å; E48-K50 VanDerWaalsContact C-N 3.27Å; E48-K50 HydrophobicContact CG-CG 4.32Å; E48-K50 PolarHBondContact O-N 2.84Å; E48-K50 WeakPolarHBondContact OE1-CE 3.48Å; E48-K50 IonicContact OE1-NZ 3.47Å; E48-K50 PolarHBondContact OE1-NZ 3.28Å; E48-K50 WeakPolarHBondContact OE2-CE 3.31Å; E48-K50 IonicContact OE2-NZ 3.51Å; E48-K50 PolarHBondContact OE2-NZ 2.89Å; E48-S80 CarbonylContact C-O 3.59Å; E48-G81 WeakPolarHBondContact CA-O 3.49Å; E48-G81 PolarHBondContact N-O 3.29Å; E48-Y156 HydrophobicContact CB-CD1 4.45Å; E48-Y156 HydrophobicContact CB-CE1 4.22Å; E48-Y156 HydrophobicContact CB-CE2 4.37Å; E48-Y156 HydrophobicContact CG-CD1 4.32Å; E48-Y156 HydrophobicContact CG-CE1 3.68Å; E48-Y156 HydrophobicContact CG-CE2 4.36Å; E48-Y156 PolarHBondContact OE1-OH 2.8Å
49	T	96.3	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.			trans	-65.4	-24.3	-174.1	64.4	0	0	0	0	114	G11 I12 L46 Q47 V51 S80 G81 A83	G11-T49 CarbonylContact C-O 3.49Å; G11-T49 WeakPolarHBondContact CA-O 3.21Å; I12-T49 WeakPolarHBondContact CG2-O 3.35Å; I12-T49 PolarHBondContact N-O 2.83Å; L46-T49 HydrophobicContact CB-CG2 4.29Å; Q47-T49 PolarHBondContact O-N 3.37Å; T49-V51 PolarHBondContact O-N 2.83Å; T49-S80 PolarHBondContact N-O 3.41Å; T49-G81 PolarHBondContact N-O 3.48Å; T49-A83 HydrophobicContact CG2-CB 3.89Å
50	K	95.3	Very high	93.9	Very high	40 Å²	40	31 Å²	31	17%	0.174	16%	0.162	C	C	.	.			trans	53.6	36	179	-58.2	177.1	-167	-174.9	0	113.5	N10 R13 E48 G78 S80	N10-K50 PolarHBondContact OD1-NZ 2.69Å; R13-K50 PolarHBondContact NH2-O 2.83Å; E48-K50 VanDerWaalsContact C-N 3.27Å; E48-K50 HydrophobicContact CG-CG 4.32Å; E48-K50 PolarHBondContact O-N 2.84Å; E48-K50 WeakPolarHBondContact OE1-CE 3.48Å; E48-K50 IonicContact OE1-NZ 3.47Å; E48-K50 PolarHBondContact OE1-NZ 3.28Å; E48-K50 WeakPolarHBondContact OE2-CE 3.31Å; E48-K50 IonicContact OE2-NZ 3.51Å; E48-K50 PolarHBondContact OE2-NZ 2.89Å; K50-G78 WeakPolarHBondContact CG-O 3.49Å; K50-S80 PolarHBondContact N-O 2.81Å
51	V	92.3	Very high	93.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.			trans	-122.9	133.6	171.9	170.3	0	0	0	0	107.9	I12 R13 T49 L56	I12-V51 HydrophobicContact CG2-CB 4.46Å; I12-V51 HydrophobicContact CG2-CG2 3.51Å; R13-V51 HydrophobicContact CG-CG2 4.08Å; T49-V51 PolarHBondContact O-N 2.83Å; V51-L56 HydrophobicContact CG1-CB 3.67Å; V51-L56 HydrophobicContact CG1-CD1 3.79Å; V51-L56 HydrophobicContact CG1-CG 4.34Å
52	T	92.1	Very high	93.3	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.043	15%	0.146	C	C	.	.			trans	-103.8	162.8	167.1	46.5	0	0	0	0	109.1	D54 A55 L56 S73 S77	T52-D54 VanDerWaalsContact C-N 3.26Å; T52-D54 WeakPolarHBondContact CB-OD1 3.38Å; T52-D54 PolarHBondContact O-N 3.47Å; T52-D54 PolarHBondContact OG1-OD1 3.04Å; T52-A55 CarbonylContact O-C 3.48Å; T52-A55 WeakPolarHBondContact O-CA 3.28Å; T52-A55 PolarHBondContact O-N 3.28Å; T52-L56 PolarHBondContact O-N 2.79Å; T52-L56 VanDerWaalsContact O-N 3.07Å; T52-S73 WeakPolarHBondContact CG2-O 3.29Å; T52-S77 PolarHBondContact OG1-OG 3.35Å
53	R	91.1	Very high	93	Very high	115 Å²	115	28 Å²	28	43%	0.434	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-57.2	-37.5	-171.7	-177.5	174.3	170.5	146.5	6.2	113.4	A55 F72 E331	R53-A55 VanDerWaalsContact C-N 3.27Å; R53-A55 PolarHBondContact O-N 2.96Å; R53-F72 HydrophobicContact CB-CD1 4.39Å; R53-F72 HydrophobicContact CB-CD2 4.13Å; R53-F72 HydrophobicContact CB-CE1 4.44Å; R53-F72 HydrophobicContact CB-CE2 4.19Å; R53-F72 HydrophobicContact CB-CG 4.22Å; R53-F72 HydrophobicContact CB-CZ 4.33Å; R53-F72 HydrophobicContact CG-CE2 4.43Å; R53-E331 IonicContact CZ-OE1 3.17Å; R53-E331 VanDerWaalsContact CZ-OE1 3.22Å; R53-E331 IonicContact CZ-OE2 3.02Å; R53-E331 IonicContact NE-OE1 2.68Å; R53-E331 PolarHBondContact NE-OE1 3.32Å; R53-E331 IonicContact NE-OE2 3.05Å; R53-E331 VanDerWaalsContact NH2-CD 3.31Å; R53-E331 IonicContact NH2-OE1 2.86Å; R53-E331 PolarHBondContact NH2-OE1 3.09Å; R53-E331 IonicContact NH2-OE2 3.76Å; R53-E331 PolarHBondContact NH2-OE2 2.94Å
54	D	88.6	Confident	92.6	Very high	133 Å²	133	34.2 Å²	34.2	71%	0.711	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-65.1	-25.3	173.2	61.4	-63.6	0	0	0	114.2	T52	T52-D54 VanDerWaalsContact C-N 3.26Å; T52-D54 WeakPolarHBondContact CB-OD1 3.38Å; T52-D54 PolarHBondContact O-N 3.47Å; T52-D54 PolarHBondContact OG1-OD1 3.04Å
55	A	88.6	Confident	92.4	Very high	20 Å²	20	36 Å²	36	17%	0.165	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-106.7	3.8	-175.5	0	0	0	0	0	113.1	T52 R53	T52-A55 CarbonylContact O-C 3.48Å; T52-A55 WeakPolarHBondContact O-CA 3.28Å; T52-A55 PolarHBondContact O-N 3.28Å; R53-A55 VanDerWaalsContact C-N 3.27Å; R53-A55 PolarHBondContact O-N 2.96Å
56	L	90.2	Very high	92.3	Very high	12 Å²	12	37 Å²	37	6%	0.063	20%	0.198	C	C	.	.			trans	-84.2	129.6	174.3	-174.8	68.5	0	0	0	109.3	V51 T52 L60 A61 F70 F72 L329 F332	V51-L56 HydrophobicContact CG1-CB 3.67Å; V51-L56 HydrophobicContact CG1-CD1 3.79Å; V51-L56 HydrophobicContact CG1-CG 4.34Å; T52-L56 PolarHBondContact O-N 2.79Å; T52-L56 VanDerWaalsContact O-N 3.07Å; L56-L60 HydrophobicContact CD1-CB 3.99Å; L56-A61 HydrophobicContact CD1-CB 4.16Å; L56-A61 HydrophobicContact CD2-CB 3.88Å; L56-A61 HydrophobicContact CG-CB 4.05Å; L56-F70 HydrophobicContact CD1-CD1 4.42Å; L56-F70 HydrophobicContact CD1-CE1 3.8Å; L56-F70 HydrophobicContact CD1-CZ 3.93Å; L56-F72 HydrophobicContact CD2-CE1 4.07Å; L56-F72 HydrophobicContact CD2-CZ 3.84Å; L56-L329 HydrophobicContact CD2-CD1 4.05Å; L56-F332 HydrophobicContact CB-CZ 4.49Å; L56-F332 HydrophobicContact CD2-CE2 4.09Å; L56-F332 HydrophobicContact CD2-CZ 4.06Å; L56-F332 HydrophobicContact CG-CE2 4.43Å; L56-F332 HydrophobicContact CG-CZ 3.98Å
57	T	89.8	Confident	92.2	Very high	71 Å²	71	37 Å²	37	44%	0.436	20%	0.198	S	C	.	.			trans	-105.6	150.3	174.9	57.6	0	0	0	0	110.1	P59 L60 A61	T57-P59 VanDerWaalsContact C-N 3.25Å; T57-P59 VanDerWaalsContact O-N 3.14Å; T57-L60 PolarHBondContact O-N 2.71Å; T57-L60 WeakPolarHBondContact OG1-CD1 3.4Å; T57-L60 WeakPolarHBondContact OG1-CG 3.23Å; T57-A61 PolarHBondContact O-N 3.23Å
58	E	87.6	Confident	92.1	Very high	53 Å²	53	37 Å²	37	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-46.3	-45	178.5	-172.3	-165.7	155.4	0	0	112.4	L60 A61 I62 F332 T335	E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 3.4Å; E58-A61 PolarHBondContact O-N 3.27Å; E58-I62 HydrophobicContact CG-CB 4.34Å; E58-I62 HydrophobicContact CG-CD1 3.85Å; E58-I62 HydrophobicContact CG-CG1 4.14Å; E58-I62 PolarHBondContact O-N 2.6Å; E58-F332 HydrophobicContact CB-CD1 3.72Å; E58-F332 HydrophobicContact CB-CE1 4.08Å; E58-F332 HydrophobicContact CB-CG 4.05Å; E58-F332 HydrophobicContact CG-CB 4.26Å; E58-F332 HydrophobicContact CG-CD1 4.31Å; E58-F332 HydrophobicContact CG-CG 4.16Å; E58-F332 VanDerWaalsContact N-CE1 3.26Å; E58-T335 WeakPolarHBondContact OE2-CB 3.28Å; E58-T335 WeakPolarHBondContact OE2-CG2 3.25Å; E58-T335 PolarHBondContact OE2-OG1 3.22Å
59	P	87.9	Confident	92.2	Very high	61 Å²	61	35.7 Å²	35.7	40%	0.396	19%	0.192	S	C	.	.	H	α-helix	trans	-74.9	-11.7	-177.1	-19.3	36.3	0	0	0	115.5	A29 T57	A29-P59 HydrophobicContact CB-CB 3.28Å; A29-P59 HydrophobicContact CB-CG 4.43Å; T57-P59 VanDerWaalsContact C-N 3.25Å; T57-P59 VanDerWaalsContact O-N 3.14Å
60	L	89	Confident	92.3	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-87.4	-16.4	169.2	-71.9	173	0	0	0	112.2	R13 A28 V32 L56 T57 E58	R13-L60 HydrophobicContact CG-CD1 3.66Å; A28-L60 HydrophobicContact CB-CD2 3.83Å; V32-L60 HydrophobicContact CG2-CD2 3.6Å; L56-L60 HydrophobicContact CD1-CB 3.99Å; T57-L60 PolarHBondContact O-N 2.71Å; T57-L60 WeakPolarHBondContact OG1-CD1 3.4Å; T57-L60 WeakPolarHBondContact OG1-CG 3.23Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 3.4Å
61	A	90.4	Very high	92.4	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-103.9	-50.6	-174.4	0	0	0	0	0	111.5	L56 T57 E58 S68 T326 F332	L56-A61 HydrophobicContact CD1-CB 4.16Å; L56-A61 HydrophobicContact CD2-CB 3.88Å; L56-A61 HydrophobicContact CG-CB 4.05Å; T57-A61 PolarHBondContact O-N 3.23Å; E58-A61 PolarHBondContact O-N 3.27Å; A61-S68 WeakPolarHBondContact O-CB 3.35Å; A61-S68 PolarHBondContact O-OG 3.45Å; A61-T326 HydrophobicContact CB-CG2 4.06Å; A61-T326 PolarHBondContact O-OG1 2.81Å; A61-F332 HydrophobicContact CB-CD2 4.32Å; A61-F332 HydrophobicContact CB-CE2 3.53Å; A61-F332 HydrophobicContact CB-CZ 4.15Å
62	I	90.9	Very high	92.6	Very high	23 Å²	23	35 Å²	35	12%	0.118	19%	0.189	C	C	.	.			trans	-104.1	79.9	-172.3	-47.6	-173.2	0	0	0	109.8	E58 R327 F332	E58-I62 HydrophobicContact CG-CB 4.34Å; E58-I62 HydrophobicContact CG-CD1 3.85Å; E58-I62 HydrophobicContact CG-CG1 4.14Å; E58-I62 PolarHBondContact O-N 2.6Å; I62-R327 HydrophobicContact CD1-CB 4.27Å; I62-F332 HydrophobicContact CD1-CB 4.15Å; I62-F332 HydrophobicContact CD1-CD2 4.12Å; I62-F332 HydrophobicContact CD1-CG 4.45Å; I62-F332 HydrophobicContact CG1-CD2 4.37Å
63	V	92.1	Very high	92.7	Very high	19 Å²	19	34.9 Å²	34.9	12%	0.115	19%	0.188	C	C	.	.			trans	-80.4	143.2	170.8	-176.6	0	0	0	0	109.7	V32 L36 Y66 F85	V32-V63 HydrophobicContact CG1-CG2 4.01Å; L36-V63 HydrophobicContact CD1-CB 4.24Å; L36-V63 HydrophobicContact CD1-CG1 4.13Å; L36-V63 HydrophobicContact CD1-CG2 4.08Å; V63-Y66 HydrophobicContact CB-CD2 4.48Å; V63-Y66 HydrophobicContact CG1-CD2 4.01Å; V63-Y66 PolarHBondContact O-N 3.45Å; V63-F85 HydrophobicContact CG2-CE1 4.03Å
64	E	90.8	Very high	92.9	Very high	131 Å²	131	34.3 Å²	34.3	61%	0.612	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	137.3	-179	-165.7	145.1	140	0	0	111.6	Y66 R341	E64-Y66 WeakPolarHBondContact O-CD2 3.32Å; E64-Y66 PolarHBondContact O-N 2.9Å; E64-R341 IonicContact OE2-CZ 2.73Å; E64-R341 IonicContact OE2-NH2 2.78Å; E64-R341 PolarHBondContact OE2-NH2 2.68Å
65	G	93.8	Very high	92.9	Very high	39 Å²	39	33.5 Å²	33.5	40%	0.402	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-0.8	-172.4	0	0	0	0	0	115.2	K87 D88	G65-K87 CarbonylContact O-C 3.58Å; G65-K87 WeakPolarHBondContact O-CA 3.36Å; G65-D88 PolarHBondContact O-N 3.06Å
66	Y	96.9	Very high	92.8	Very high	19 Å²	19	39.7 Å²	39.7	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.7	-179.9	-69.9	-97.4	0	0	0	112.9	L36 V63 E64 F85 C86 K87 R327	L36-Y66 HydrophobicContact CB-CE1 4.2Å; L36-Y66 HydrophobicContact CB-CE2 3.96Å; L36-Y66 HydrophobicContact CD1-CD1 4.25Å; L36-Y66 HydrophobicContact CD1-CD2 4.25Å; L36-Y66 HydrophobicContact CD1-CE1 4.36Å; L36-Y66 HydrophobicContact CD1-CE2 4.36Å; L36-Y66 HydrophobicContact CD1-CG 4.22Å; L36-Y66 HydrophobicContact CD2-CE1 4.47Å; L36-Y66 PolarHBondContact O-OH 3.04Å; L36-Y66 VanDerWaalsContact O-OH 3.13Å; V63-Y66 HydrophobicContact CB-CD2 4.48Å; V63-Y66 HydrophobicContact CG1-CD2 4.01Å; V63-Y66 PolarHBondContact O-N 3.45Å; E64-Y66 WeakPolarHBondContact O-CD2 3.32Å; E64-Y66 PolarHBondContact O-N 2.9Å; Y66-F85 HydrophobicContact CD1-CB 4.05Å; Y66-C86 CarbonylContact C-O 3.53Å; Y66-C86 VanDerWaalsContact CA-O 3.24Å; Y66-C86 WeakPolarHBondContact CA-O 3.41Å; Y66-C86 VanDerWaalsContact CD1-C 3.46Å; Y66-C86 WeakPolarHBondContact CD1-O 3.49Å; Y66-K87 HydrophobicContact CD1-CG 4.05Å; Y66-K87 HydrophobicContact CE1-CB 4.29Å; Y66-K87 HydrophobicContact CE1-CG 3.39Å; Y66-K87 HydrophobicContact CE2-CG 4.29Å; Y66-K87 WeakPolarHBondContact OH-CE 3.43Å; Y66-R327 PolarHBondContact O-NH2 3.08Å
67	N	96.9	Very high	92.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	138	161.3	49.7	101	0	0	0	108.5	Y69 C86 D88 T91 P92	N67-Y69 HydrophobicContact CB-CE2 4.42Å; N67-Y69 WeakPolarHBondContact OD1-CE2 3.36Å; N67-Y69 PolarHBondContact OD1-OH 3.08Å; N67-C86 PolarHBondContact N-O 2.92Å; N67-C86 PolarHBondContact ND2-O 2.96Å; N67-C86 PolarHBondContact O-N 3.27Å; N67-D88 PolarHBondContact ND2-OD1 3.46Å; N67-T91 PolarHBondContact ND2-OG1 2.85Å; N67-P92 VanDerWaalsContact OD1-CD 3.28Å; N67-P92 WeakPolarHBondContact OD1-CD 3.26Å
68	S	97.8	Very high	92.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.7	-174.2	75	0	0	0	0	112.7	A61 T84 F85 C325 T326	A61-S68 WeakPolarHBondContact O-CB 3.35Å; A61-S68 PolarHBondContact O-OG 3.45Å; S68-T84 CarbonylContact C-O 3.46Å; S68-T84 VanDerWaalsContact CA-O 3.29Å; S68-T84 WeakPolarHBondContact CA-O 3.47Å; S68-F85 VanDerWaalsContact CB-CD1 3.45Å; S68-C325 WeakPolarHBondContact O-CA 3.5Å; S68-C325 PolarHBondContact O-SG 3.41Å; S68-T326 PolarHBondContact O-N 2.93Å; S68-T326 PolarHBondContact O-OG1 2.86Å; S68-T326 VanDerWaalsContact OG-CG2 3.31Å; S68-T326 WeakPolarHBondContact OG-CG2 3.34Å; S68-T326 PolarHBondContact OG-OG1 2.92Å
69	Y	98.1	Very high	92.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.7	-176.6	-49.7	-87.9	0	0	0	107	N67 A83 T84 P92 A95 L134 T136 P322 L324 C325	N67-Y69 HydrophobicContact CB-CE2 4.42Å; N67-Y69 WeakPolarHBondContact OD1-CE2 3.36Å; N67-Y69 PolarHBondContact OD1-OH 3.08Å; Y69-A83 CarbonylContact O-C 3.17Å; Y69-A83 VanDerWaalsContact O-CA 3.26Å; Y69-A83 WeakPolarHBondContact O-CA 3.35Å; Y69-T84 PolarHBondContact N-O 2.92Å; Y69-T84 PolarHBondContact O-N 3.26Å; Y69-P92 HydrophobicContact CD2-CG 4.43Å; Y69-P92 HydrophobicContact CE1-CG 4.27Å; Y69-P92 HydrophobicContact CE2-CG 3.58Å; Y69-P92 VanDerWaalsContact CZ-CG 3.5Å; Y69-P92 WeakPolarHBondContact OH-CD 3.19Å; Y69-P92 WeakPolarHBondContact OH-CG 3.43Å; Y69-A95 HydrophobicContact CD1-CB 3.58Å; Y69-A95 HydrophobicContact CE1-CB 3.93Å; Y69-A95 HydrophobicContact CG-CB 4.13Å; Y69-L134 WeakPolarHBondContact O-CD2 3.27Å; Y69-T136 HydrophobicContact CD2-CG2 3.89Å; Y69-T136 HydrophobicContact CG-CG2 4.16Å; Y69-P322 HydrophobicContact CE1-CG 3.78Å; Y69-L324 HydrophobicContact CD1-CB 4.28Å; Y69-C325 HydrophobicContact CD1-CB 4.1Å; Y69-C325 HydrophobicContact CE1-CB 3.46Å; Y69-C325 VanDerWaalsContact CE1-CB 3.46Å
70	F	97.8	Very high	93.1	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.4	-174.3	-83.4	-113.3	0	0	0	110.3	L56 F72 A83 F85 T326	L56-F70 HydrophobicContact CD1-CD1 4.42Å; L56-F70 HydrophobicContact CD1-CE1 3.8Å; L56-F70 HydrophobicContact CD1-CZ 3.93Å; F70-F72 HydrophobicContact CB-CD2 4.47Å; F70-F72 HydrophobicContact CB-CE1 3.78Å; F70-F72 HydrophobicContact CB-CE2 3.74Å; F70-F72 HydrophobicContact CB-CZ 3.35Å; F70-F72 AromaticContact CD1-CE1 3.73Å; F70-F72 HydrophobicContact CD1-CE1 3.73Å; F70-F72 HydrophobicContact CD1-CZ 4.08Å; F70-F72 HydrophobicContact CG-CE1 4.09Å; F70-F72 AromaticContact CG-CZ 3.95Å; F70-F72 HydrophobicContact CG-CZ 3.95Å; F70-A83 HydrophobicContact CD1-CB 3.69Å; F70-A83 HydrophobicContact CD2-CB 3.9Å; F70-A83 HydrophobicContact CE1-CB 3.63Å; F70-A83 HydrophobicContact CE2-CB 3.83Å; F70-A83 HydrophobicContact CG-CB 3.84Å; F70-A83 HydrophobicContact CZ-CB 3.7Å; F70-F85 HydrophobicContact CE2-CE2 4.24Å; F70-F85 AromaticContact CE2-CZ 3.87Å; F70-F85 HydrophobicContact CE2-CZ 3.87Å; F70-F85 HydrophobicContact CZ-CE2 4.19Å; F70-F85 AromaticContact CZ-CZ 3.84Å; F70-F85 HydrophobicContact CZ-CZ 3.84Å; F70-T326 HydrophobicContact CD2-CG2 3.46Å; F70-T326 VanDerWaalsContact CD2-CG2 3.46Å; F70-T326 HydrophobicContact CE2-CG2 3.92Å; F70-T326 HydrophobicContact CG-CG2 4.36Å
71	S	97.6	Very high	93.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.2	161.6	172.6	0	0	0	0	109.4	G81 V82 E97 G131	S71-G81 WeakPolarHBondContact O-CA 3.38Å; S71-V82 PolarHBondContact N-O 2.91Å; S71-V82 PolarHBondContact O-N 3.28Å; S71-E97 WeakPolarHBondContact CA-OE1 3.46Å; S71-E97 VanDerWaalsContact CB-OE1 3.25Å; S71-E97 WeakPolarHBondContact CB-OE1 3.18Å; S71-E97 WeakPolarHBondContact OG-CG 3.37Å; S71-E97 PolarHBondContact OG-OE1 2.88Å; S71-G131 WeakPolarHBondContact OG-CA 3.39Å
72	F	96.3	Very high	93.9	Very high	21 Å²	21	37.6 Å²	37.6	9%	0.092	20%	0.198	C	C	.	.			trans	-119.8	136.2	-170	-53.6	-80.7	0	0	0	111.9	R53 L56 F70 R74 E97	R53-F72 HydrophobicContact CB-CD1 4.39Å; R53-F72 HydrophobicContact CB-CD2 4.13Å; R53-F72 HydrophobicContact CB-CE1 4.44Å; R53-F72 HydrophobicContact CB-CE2 4.19Å; R53-F72 HydrophobicContact CB-CG 4.22Å; R53-F72 HydrophobicContact CB-CZ 4.33Å; R53-F72 HydrophobicContact CG-CE2 4.43Å; L56-F72 HydrophobicContact CD2-CE1 4.07Å; L56-F72 HydrophobicContact CD2-CZ 3.84Å; F70-F72 HydrophobicContact CB-CD2 4.47Å; F70-F72 HydrophobicContact CB-CE1 3.78Å; F70-F72 HydrophobicContact CB-CE2 3.74Å; F70-F72 HydrophobicContact CB-CZ 3.35Å; F70-F72 AromaticContact CD1-CE1 3.73Å; F70-F72 HydrophobicContact CD1-CE1 3.73Å; F70-F72 HydrophobicContact CD1-CZ 4.08Å; F70-F72 HydrophobicContact CG-CE1 4.09Å; F70-F72 AromaticContact CG-CZ 3.95Å; F70-F72 HydrophobicContact CG-CZ 3.95Å; F72-R74 PolarHBondContact O-N 2.89Å; F72-R74 PolarHBondContact O-NH1 2.95Å; F72-E97 PolarHBondContact N-OE1 3.27Å
73	S	95.8	Very high	94.3	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.035	19%	0.192	C	C	.	.			trans	-63	118.7	167.3	171.2	0	0	0	0	109.9	T52 R76 Y79	T52-S73 WeakPolarHBondContact CG2-O 3.29Å; S73-R76 PolarHBondContact OG-N 3.03Å; S73-R76 PolarHBondContact OG-O 3.25Å; S73-Y79 WeakPolarHBondContact CB-O 3.09Å
74	R	93.7	Very high	94.6	Very high	103 Å²	103	35.6 Å²	35.6	39%	0.389	19%	0.187	S	C	.	.	S	Bend	trans	-82.6	-28.9	-179.7	-71.5	153.4	171.9	65.8	-2.4	112.5	F72 E97 F103 S129	F72-R74 PolarHBondContact O-N 2.89Å; F72-R74 PolarHBondContact O-NH1 2.95Å; R74-E97 IonicContact CZ-OE1 2.67Å; R74-E97 IonicContact CZ-OE2 3.05Å; R74-E97 IonicContact NH1-OE1 4Å; R74-E97 PolarHBondContact NH1-OE1 2.87Å; R74-E97 IonicContact NH1-OE2 3.34Å; R74-E97 PolarHBondContact NH1-OE2 3.07Å; R74-E97 IonicContact NH2-OE1 2.83Å; R74-E97 IonicContact NH2-OE2 3.12Å; R74-E97 PolarHBondContact NH2-OE2 2.87Å; R74-F103 VanDerWaalsContact NH2-CG 3.32Å; R74-S129 PolarHBondContact N-O 2.89Å
75	N	88.4	Confident	95	Very high	117 Å²	117	29.4 Å²	29.4	63%	0.626	16%	0.158	S	C	*	.	S	Bend	trans	-96.4	-12.5	-167.7	-52.5	-17.4	0	0	0	113.2	S129	N75-S129 PolarHBondContact ND2-OG 2.85Å
76	R	87.9	Confident	95.2	Very high	150 Å²	150	27.5 Å²	27.5	57%	0.566	14%	0.139	S	C	*	.			trans	-156.8	120.6	-173.4	-173.7	175.8	177.8	-170.2	4.8	111.9	S73 Y79	S73-R76 PolarHBondContact OG-N 3.03Å; S73-R76 PolarHBondContact OG-O 3.25Å; R76-Y79 HydrophobicContact CB-CD1 4.11Å; R76-Y79 HydrophobicContact CB-CG 4.31Å; R76-Y79 HydrophobicContact CG-CD1 4.45Å; R76-Y79 HydrophobicContact CG-CG 4.17Å
77	S	86.9	Confident	95.3	Very high	78 Å²	78	28.8 Å²	28.8	55%	0.545	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	149.3	172.5	-168.3	0	0	0	0	112.1	T52 Y79	T52-S77 PolarHBondContact OG1-OG 3.35Å; S77-Y79 VanDerWaalsContact C-N 3.26Å; S77-Y79 PolarHBondContact O-N 3.36Å
78	G	86.5	Confident	95.3	Very high	38 Å²	38	32 Å²	32	39%	0.392	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	20.2	-179.5	0	0	0	0	0	115.2	K50	K50-G78 WeakPolarHBondContact CG-O 3.49Å
79	Y	92.8	Very high	95.3	Very high	42 Å²	42	35.5 Å²	35.5	17%	0.165	18%	0.18	C	C	.	.	S	Bend	trans	-130.8	142.9	-174	174.6	-106.8	0	0	0	111.1	S73 R76 S77 E130 R132 R167	S73-Y79 WeakPolarHBondContact CB-O 3.09Å; R76-Y79 HydrophobicContact CB-CD1 4.11Å; R76-Y79 HydrophobicContact CB-CG 4.31Å; R76-Y79 HydrophobicContact CG-CD1 4.45Å; R76-Y79 HydrophobicContact CG-CG 4.17Å; S77-Y79 VanDerWaalsContact C-N 3.26Å; S77-Y79 PolarHBondContact O-N 3.36Å; Y79-E130 HydrophobicContact CE1-CB 4.47Å; Y79-E130 HydrophobicContact CE1-CG 4.24Å; Y79-E130 PolarHBondContact OH-OE2 3.2Å; Y79-R132 PolarHBondContact OH-NH2 2.94Å; Y79-R167 PolarHBondContact OH-NH2 2.96Å
80	S	95.4	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.			trans	53.9	-142.6	175.1	-168.6	0	0	0	0	111.6	E48 T49 K50 E130 Y156	E48-S80 CarbonylContact C-O 3.59Å; T49-S80 PolarHBondContact N-O 3.41Å; K50-S80 PolarHBondContact N-O 2.81Å; S80-E130 WeakPolarHBondContact CB-O 3.48Å; S80-E130 PolarHBondContact OG-O 2.98Å; S80-Y156 WeakPolarHBondContact OG-CD1 3.45Å
81	G	97.8	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.			trans	87.1	137.4	-177.3	0	0	0	0	0	111.8	E48 T49 S71 G131	E48-G81 WeakPolarHBondContact CA-O 3.49Å; E48-G81 PolarHBondContact N-O 3.29Å; T49-G81 PolarHBondContact N-O 3.48Å; S71-G81 WeakPolarHBondContact O-CA 3.38Å; G81-G131 CarbonylContact C-O 3.56Å; G81-G131 WeakPolarHBondContact CA-O 3.37Å; G81-G131 PolarHBondContact N-O 2.74Å
82	V	98.6	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.9	173.3	-62	0	0	0	0	109.6	L46 Q47 S71 G131 L134	L46-V82 WeakPolarHBondContact O-CA 2.95Å; Q47-V82 HydrophobicContact CG-CG1 4.31Å; S71-V82 PolarHBondContact N-O 2.91Å; S71-V82 PolarHBondContact O-N 3.28Å; V82-G131 PolarHBondContact N-O 3.37Å; V82-L134 HydrophobicContact CG2-CB 3.58Å
83	A	98.6	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.8	177.3	0	0	0	0	0	111	L46 T49 Y69 F70 F85 N154	L46-A83 PolarHBondContact N-O 3.13Å; L46-A83 PolarHBondContact O-N 2.79Å; T49-A83 HydrophobicContact CG2-CB 3.89Å; Y69-A83 CarbonylContact O-C 3.17Å; Y69-A83 VanDerWaalsContact O-CA 3.26Å; Y69-A83 WeakPolarHBondContact O-CA 3.35Å; F70-A83 HydrophobicContact CD1-CB 3.69Å; F70-A83 HydrophobicContact CD2-CB 3.9Å; F70-A83 HydrophobicContact CE1-CB 3.63Å; F70-A83 HydrophobicContact CE2-CB 3.83Å; F70-A83 HydrophobicContact CG-CB 3.84Å; F70-A83 HydrophobicContact CZ-CB 3.7Å; A83-F85 HydrophobicContact CB-CD2 4.48Å; A83-F85 HydrophobicContact CB-CE2 3.93Å; A83-N154 PolarHBondContact O-ND2 3.4Å
84	T	98.8	Very high	95.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.4	175.1	-58.8	0	0	0	0	108.5	I43 V44 S68 Y69 L134 T136 N154	I43-T84 HydrophobicContact CG2-CG2 3.63Å; V44-T84 WeakPolarHBondContact O-CA 3.47Å; S68-T84 CarbonylContact C-O 3.46Å; S68-T84 VanDerWaalsContact CA-O 3.29Å; S68-T84 WeakPolarHBondContact CA-O 3.47Å; Y69-T84 PolarHBondContact N-O 2.92Å; Y69-T84 PolarHBondContact O-N 3.26Å; T84-L134 WeakPolarHBondContact OG1-CD2 3.07Å; T84-T136 HydrophobicContact CG2-CG2 3.91Å; T84-N154 WeakPolarHBondContact OG1-CB 3.38Å; T84-N154 PolarHBondContact OG1-ND2 2.76Å
85	F	98.7	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.5	174.2	-68.2	-100.7	0	0	0	108.3	I12 V32 L36 I43 V44 L46 V63 Y66 S68 F70 A83	I12-F85 HydrophobicContact CD1-CE2 4.25Å; I12-F85 HydrophobicContact CD1-CZ 4.29Å; V32-F85 HydrophobicContact CG1-CE1 4.23Å; V32-F85 HydrophobicContact CG1-CZ 4.03Å; L36-F85 HydrophobicContact CD1-CB 4.11Å; L36-F85 HydrophobicContact CD1-CD1 3.59Å; L36-F85 HydrophobicContact CD1-CE1 4.12Å; L36-F85 HydrophobicContact CD1-CG 3.86Å; L36-F85 HydrophobicContact CD2-CB 3.85Å; L36-F85 HydrophobicContact CD2-CD2 4.35Å; L36-F85 HydrophobicContact CD2-CG 4.05Å; I43-F85 CarbonylContact C-O 3.55Å; I43-F85 WeakPolarHBondContact CA-O 3.2Å; V44-F85 PolarHBondContact N-O 2.91Å; V44-F85 PolarHBondContact O-N 3.02Å; L46-F85 HydrophobicContact CD1-CD2 4.32Å; L46-F85 HydrophobicContact CD1-CE2 3.99Å; V63-F85 HydrophobicContact CG2-CE1 4.03Å; Y66-F85 HydrophobicContact CD1-CB 4.05Å; S68-F85 VanDerWaalsContact CB-CD1 3.45Å; F70-F85 HydrophobicContact CE2-CE2 4.24Å; F70-F85 AromaticContact CE2-CZ 3.87Å; F70-F85 HydrophobicContact CE2-CZ 3.87Å; F70-F85 HydrophobicContact CZ-CE2 4.19Å; F70-F85 AromaticContact CZ-CZ 3.84Å; F70-F85 HydrophobicContact CZ-CZ 3.84Å; A83-F85 HydrophobicContact CB-CD2 4.48Å; A83-F85 HydrophobicContact CB-CE2 3.93Å
86	C	98.7	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.2	174.1	-48.4	0	0	0	0	108.4	D42 I43 Y66 N67 A90	D42-C86 CarbonylContact O-C 3.55Å; D42-C86 WeakPolarHBondContact O-CA 3.37Å; I43-C86 HydrophobicContact CG1-CB 4.47Å; Y66-C86 CarbonylContact C-O 3.53Å; Y66-C86 VanDerWaalsContact CA-O 3.24Å; Y66-C86 WeakPolarHBondContact CA-O 3.41Å; Y66-C86 VanDerWaalsContact CD1-C 3.46Å; Y66-C86 WeakPolarHBondContact CD1-O 3.49Å; N67-C86 PolarHBondContact N-O 2.92Å; N67-C86 PolarHBondContact ND2-O 2.96Å; N67-C86 PolarHBondContact O-N 3.27Å; C86-A90 HydrophobicContact CB-CB 4.33Å; C86-A90 VanDerWaalsContact CB-O 3.23Å; C86-A90 WeakPolarHBondContact CB-O 3.29Å
87	K	98.4	Very high	96.6	Very high	46 Å²	46	21 Å²	21	20%	0.2	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	153.3	164.7	-74.5	-177.5	-175.8	165	0	108.5	D40 A41 D42 G65 Y66 N89 A90 T91	D40-K87 IonicContact OD1-NZ 3.83Å; D40-K87 PolarHBondContact OD1-NZ 3.14Å; A41-K87 WeakPolarHBondContact O-CE 3.43Å; D42-K87 PolarHBondContact O-N 2.94Å; G65-K87 CarbonylContact O-C 3.58Å; G65-K87 WeakPolarHBondContact O-CA 3.36Å; Y66-K87 HydrophobicContact CD1-CG 4.05Å; Y66-K87 HydrophobicContact CE1-CB 4.29Å; Y66-K87 HydrophobicContact CE1-CG 3.39Å; Y66-K87 HydrophobicContact CE2-CG 4.29Å; Y66-K87 WeakPolarHBondContact OH-CE 3.43Å; K87-N89 WeakPolarHBondContact CB-OD1 3.36Å; K87-N89 PolarHBondContact O-N 2.8Å; K87-N89 VanDerWaalsContact O-N 3.13Å; K87-A90 CarbonylContact O-C 3.54Å; K87-A90 WeakPolarHBondContact O-CA 3.39Å; K87-A90 PolarHBondContact O-N 2.94Å; K87-T91 PolarHBondContact O-N 3.24Å
88	D	97.1	Very high	97.1	Very high	68 Å²	68	17.3 Å²	17.3	36%	0.364	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-62.8	-23.6	-176.3	-71.4	-43	0	0	0	113.2	G65 N67 A90 T91 R327	G65-D88 PolarHBondContact O-N 3.06Å; N67-D88 PolarHBondContact ND2-OD1 3.46Å; D88-A90 PolarHBondContact O-N 2.85Å; D88-T91 PolarHBondContact O-N 3.28Å; D88-T91 PolarHBondContact O-OG1 3.26Å; D88-R327 IonicContact OD1-NH2 2.79Å; D88-R327 PolarHBondContact OD1-NH2 3.12Å
89	N	96.9	Very high	97.7	Very high	75 Å²	75	15.5 Å²	15.5	40%	0.401	8%	0.081	S	C	.	.	G	3₁₀ helix	trans	-65.8	-14.9	168.6	73.8	-24.2	0	0	0	114.1	D42 K87 S315 P317	D42-N89 PolarHBondContact OD1-ND2 3.07Å; K87-N89 WeakPolarHBondContact CB-OD1 3.36Å; K87-N89 PolarHBondContact O-N 2.8Å; K87-N89 VanDerWaalsContact O-N 3.13Å; N89-S315 VanDerWaalsContact O-CB 3.23Å; N89-S315 WeakPolarHBondContact O-CB 3.37Å; N89-S315 PolarHBondContact O-OG 2.88Å; N89-P317 WeakPolarHBondContact O-CB 3.49Å; N89-P317 WeakPolarHBondContact O-CD 3.4Å
90	A	98	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-121.8	30.7	-179.6	0	0	0	0	0	111.8	D42 I43 C86 K87 D88 P92 H138 S315	D42-A90 HydrophobicContact CB-CB 4.08Å; I43-A90 HydrophobicContact CD1-CB 4.46Å; I43-A90 HydrophobicContact CG1-CB 3.96Å; C86-A90 HydrophobicContact CB-CB 4.33Å; C86-A90 VanDerWaalsContact CB-O 3.23Å; C86-A90 WeakPolarHBondContact CB-O 3.29Å; K87-A90 CarbonylContact O-C 3.54Å; K87-A90 WeakPolarHBondContact O-CA 3.39Å; K87-A90 PolarHBondContact O-N 2.94Å; D88-A90 PolarHBondContact O-N 2.85Å; A90-P92 WeakPolarHBondContact O-CD 3.43Å; A90-H138 PolarHBondContact O-CE1 3.45Å; A90-H138 VanDerWaalsContact O-CE1 3.23Å; A90-H138 PolarHBondContact O-ND1 2.97Å; A90-S315 WeakPolarHBondContact CA-OG 3.3Å
91	T	98.6	Very high	97.9	Very high	10 Å²	10	14.8 Å²	14.8	6%	0.061	9%	0.085	C	C	.	.			trans	-60.1	118.5	174.4	-56.3	0	0	0	0	110.5	N67 K87 D88 A318 C321	N67-T91 PolarHBondContact ND2-OG1 2.85Å; K87-T91 PolarHBondContact O-N 3.24Å; D88-T91 PolarHBondContact O-N 3.28Å; D88-T91 PolarHBondContact O-OG1 3.26Å; T91-A318 HydrophobicContact CG2-CB 4.21Å; T91-A318 PolarHBondContact O-N 3.49Å; T91-C321 HydrophobicContact CG2-CB 4.33Å
92	P	98.5	Very high	97.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.			trans	-69.1	155.4	-178	27.2	-33.1	0	0	0	112.2	N67 Y69 A90 T136 Q137 A318 P322	N67-P92 VanDerWaalsContact OD1-CD 3.28Å; N67-P92 WeakPolarHBondContact OD1-CD 3.26Å; Y69-P92 HydrophobicContact CD2-CG 4.43Å; Y69-P92 HydrophobicContact CE1-CG 4.27Å; Y69-P92 HydrophobicContact CE2-CG 3.58Å; Y69-P92 VanDerWaalsContact CZ-CG 3.5Å; Y69-P92 WeakPolarHBondContact OH-CD 3.19Å; Y69-P92 WeakPolarHBondContact OH-CG 3.43Å; A90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-T136 HydrophobicContact CG-CG2 4.46Å; P92-Q137 CarbonylContact C-O 3.57Å; P92-Q137 VanDerWaalsContact CA-O 3.28Å; P92-Q137 WeakPolarHBondContact CA-O 3.23Å; P92-Q137 WeakPolarHBondContact CB-O 3.36Å; P92-A318 WeakPolarHBondContact O-CB 3.19Å; P92-P322 HydrophobicContact CG-CG 4.22Å; P92-P322 VanDerWaalsContact O-CD 3.27Å; P92-P322 WeakPolarHBondContact O-CD 3.38Å
93	V	97.9	Very high	97.3	Very high	59 Å²	59	20.1 Å²	20.1	36%	0.358	11%	0.11	S	C	.	.	S	Bend	trans	-81.2	-26.9	173.9	-66.3	0	0	0	0	112.9	Q137 K139 A318	V93-Q137 HydrophobicContact CG2-CB 4.38Å; V93-Q137 HydrophobicContact CG2-CG 4.07Å; V93-Q137 VanDerWaalsContact CG2-O 3.28Å; V93-Q137 WeakPolarHBondContact CG2-O 3.24Å; V93-Q137 PolarHBondContact N-O 2.92Å; V93-K139 HydrophobicContact CG1-CB 4.4Å; V93-A318 HydrophobicContact CG1-CB 3.93Å
94	A	98.1	Very high	96.6	Very high	7 Å²	7	21.5 Å²	21.5	6%	0.058	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.9	177.2	0	0	0	0	0	110.8	G108 N109 V110 Q137	A94-G108 WeakPolarHBondContact CA-O 3.28Å; A94-G108 WeakPolarHBondContact CB-O 3.05Å; A94-N109 WeakPolarHBondContact CB-O 3.45Å; A94-V110 HydrophobicContact CB-CG2 4.09Å; A94-Q137 HydrophobicContact CB-CB 4.17Å; A94-Q137 PolarHBondContact N-O 2.93Å; A94-Q137 PolarHBondContact O-N 2.87Å
95	A	98.1	Very high	95.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	140.8	177.1	0	0	0	0	0	110.9	Y69 G108 L135 T136 P322 L324	Y69-A95 HydrophobicContact CD1-CB 3.58Å; Y69-A95 HydrophobicContact CE1-CB 3.93Å; Y69-A95 HydrophobicContact CG-CB 4.13Å; A95-G108 PolarHBondContact N-O 2.89Å; A95-L135 CarbonylContact C-O 3.57Å; A95-L135 VanDerWaalsContact CA-O 3.24Å; A95-L135 WeakPolarHBondContact CA-O 3.42Å; A95-T136 HydrophobicContact CB-CG2 4.2Å; A95-P322 HydrophobicContact CB-CB 4.4Å; A95-P322 HydrophobicContact CB-CG 3.69Å; A95-L324 HydrophobicContact CB-CB 4.27Å; A95-L324 HydrophobicContact CB-CD2 4.2Å
96	E	98.1	Very high	93.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.7	-170	-164.2	-179.2	139.3	0	0	112.1	A104 N109 V110 G111 Y113 L135 R181	E96-A104 HydrophobicContact CG-CB 3.83Å; E96-N109 HydrophobicContact CG-CB 4.26Å; E96-N109 WeakPolarHBondContact OE2-CB 3.13Å; E96-V110 HydrophobicContact CB-CB 4.25Å; E96-V110 HydrophobicContact CB-CG2 3.99Å; E96-V110 WeakPolarHBondContact OE2-CA 3.28Å; E96-V110 PolarHBondContact OE2-N 3.35Å; E96-G111 PolarHBondContact OE2-N 2.79Å; E96-Y113 WeakPolarHBondContact OE1-CE1 3.24Å; E96-L135 PolarHBondContact N-O 2.96Å; E96-L135 PolarHBondContact O-N 2.98Å; E96-R181 IonicContact OE1-CZ 3.94Å; E96-R181 IonicContact OE1-NH2 2.68Å; E96-R181 PolarHBondContact OE1-NH2 3.17Å; E96-R181 IonicContact OE2-NH2 3.59Å; E96-R181 PolarHBondContact OE2-NH2 2.92Å
97	E	96.3	Very high	92.8	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.3	174.9	170.4	167.4	-142.5	0	0	111.1	S71 F72 R74 F103 L324	S71-E97 WeakPolarHBondContact CA-OE1 3.46Å; S71-E97 VanDerWaalsContact CB-OE1 3.25Å; S71-E97 WeakPolarHBondContact CB-OE1 3.18Å; S71-E97 WeakPolarHBondContact OG-CG 3.37Å; S71-E97 PolarHBondContact OG-OE1 2.88Å; F72-E97 PolarHBondContact N-OE1 3.27Å; R74-E97 IonicContact CZ-OE1 2.67Å; R74-E97 IonicContact CZ-OE2 3.05Å; R74-E97 IonicContact NH1-OE1 4Å; R74-E97 PolarHBondContact NH1-OE1 2.87Å; R74-E97 IonicContact NH1-OE2 3.34Å; R74-E97 PolarHBondContact NH1-OE2 3.07Å; R74-E97 IonicContact NH2-OE1 2.83Å; R74-E97 IonicContact NH2-OE2 3.12Å; R74-E97 PolarHBondContact NH2-OE2 2.87Å; E97-F103 HydrophobicContact CG-CB 4.49Å; E97-L324 HydrophobicContact CB-CD2 4.34Å
98	G	97.5	Very high	92.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	83.9	174.4	-179.7	0	0	0	0	0	114.1	D128 A133 L135	G98-D128 VanDerWaalsContact CA-CG 3.42Å; G98-D128 VanDerWaalsContact CA-OD1 3.26Å; G98-D128 WeakPolarHBondContact CA-OD1 3.34Å; G98-A133 PolarHBondContact N-O 3.02Å; G98-L135 WeakPolarHBondContact O-CD1 3.44Å
99	L	98.4	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-100.2	-30.2	178.6	-60.6	169	0	0	0	111.9	M116 D128 A133 L135 I153 F174 L177 L178 R181	L99-M116 WeakPolarHBondContact O-CE 3.24Å; L99-D128 VanDerWaalsContact N-CG 3.3Å; L99-D128 PolarHBondContact N-OD1 3.43Å; L99-D128 PolarHBondContact N-OD2 3.23Å; L99-D128 VanDerWaalsContact N-OD2 3.11Å; L99-A133 HydrophobicContact CD1-CB 4.25Å; L99-A133 HydrophobicContact CD2-CB 3.72Å; L99-A133 HydrophobicContact CG-CB 3.6Å; L99-L135 HydrophobicContact CD2-CD1 4.37Å; L99-I153 HydrophobicContact CD2-CG2 4.09Å; L99-F174 HydrophobicContact CD1-CD2 4.4Å; L99-F174 HydrophobicContact CD1-CE1 4.27Å; L99-F174 HydrophobicContact CD1-CE2 3.88Å; L99-F174 HydrophobicContact CD1-CZ 3.82Å; L99-L177 HydrophobicContact CB-CD1 4.45Å; L99-L177 HydrophobicContact CB-CD2 3.89Å; L99-L177 HydrophobicContact CB-CG 3.75Å; L99-L177 HydrophobicContact CD1-CB 4.39Å; L99-L177 HydrophobicContact CD1-CD2 4.18Å; L99-L177 HydrophobicContact CD1-CG 4Å; L99-L178 HydrophobicContact CD1-CB 3.95Å; L99-L178 HydrophobicContact CD2-CD1 3.93Å; L99-R181 HydrophobicContact CB-CB 4.46Å; L99-R181 HydrophobicContact CB-CG 4.45Å; L99-R181 HydrophobicContact CD2-CB 4.29Å; L99-R181 HydrophobicContact CD2-CG 3.97Å
100	S	97.6	Very high	91.8	Very high	12 Å²	12	35.2 Å²	35.2	8%	0.084	20%	0.201	C	C	.	.	S	Bend	trans	-86.9	-14.5	-171.5	69.2	0	0	0	0	115.4	L102 D128	S100-L102 VanDerWaalsContact C-N 3.26Å; S100-L102 PolarHBondContact O-N 3.03Å; S100-L102 WeakPolarHBondContact OG-CB 3.35Å; S100-L102 WeakPolarHBondContact OG-CG 3.33Å; S100-L102 PolarHBondContact OG-N 2.83Å; S100-D128 VanDerWaalsContact CB-OD2 3.24Å; S100-D128 WeakPolarHBondContact CB-OD2 3.33Å; S100-D128 PolarHBondContact N-OD2 3.05Å; S100-D128 PolarHBondContact OG-OD2 3.26Å
101	G	95.3	Very high	91.7	Very high	16 Å²	16	36 Å²	36	17%	0.165	21%	0.209	C	C	.	.	S	Bend	trans	78.6	-3.1	-171.5	0	0	0	0	0	115.5	F103 A104	G101-F103 PolarHBondContact O-N 3.42Å; G101-F103 VanDerWaalsContact O-N 3.09Å; G101-A104 WeakPolarHBondContact O-CB 3.33Å; G101-A104 PolarHBondContact O-N 2.77Å
102	L	94	Very high	91.6	Very high	57 Å²	57	38 Å²	38	30%	0.298	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.5	-177.8	-68.1	-179.3	0	0	0	114.8	S100 Q121 L124 R125	S100-L102 VanDerWaalsContact C-N 3.26Å; S100-L102 PolarHBondContact O-N 3.03Å; S100-L102 WeakPolarHBondContact OG-CB 3.35Å; S100-L102 WeakPolarHBondContact OG-CG 3.33Å; S100-L102 PolarHBondContact OG-N 2.83Å; L102-Q121 HydrophobicContact CD1-CG 3.91Å; L102-Q121 HydrophobicContact CD2-CG 3.86Å; L102-Q121 VanDerWaalsContact CD2-NE2 3.28Å; L102-L124 HydrophobicContact CD1-CB 3.5Å; L102-L124 HydrophobicContact CG-CB 4.47Å; L102-R125 HydrophobicContact CD1-CB 4.02Å
103	F	89.5	Confident	91.5	Very high	54 Å²	54	41.9 Å²	41.9	24%	0.237	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	9.7	173.1	-56.6	-48.3	0	0	0	113.4	R74 E97 G101 R125 D128	R74-F103 VanDerWaalsContact NH2-CG 3.32Å; E97-F103 HydrophobicContact CG-CB 4.49Å; G101-F103 PolarHBondContact O-N 3.42Å; G101-F103 VanDerWaalsContact O-N 3.09Å; F103-R125 HydrophobicContact CZ-CG 4.21Å; F103-D128 HydrophobicContact CD2-CB 3.86Å; F103-D128 HydrophobicContact CE2-CB 3.62Å
104	A	83.8	Confident	91.4	Very high	29 Å²	29	41.1 Å²	41.1	24%	0.24	24%	0.243	C	C	.	.			trans	-73.1	136.6	-176.7	0	0	0	0	0	111.5	E96 G101 N109	E96-A104 HydrophobicContact CG-CB 3.83Å; G101-A104 WeakPolarHBondContact O-CB 3.33Å; G101-A104 PolarHBondContact O-N 2.77Å; A104-N109 WeakPolarHBondContact CB-ND2 3.27Å
105	T	75	Confident	91.4	Very high	67 Å²	67	45.6 Å²	45.6	41%	0.411	27%	0.265	S	S	.	.			trans	-86.7	143.4	-176.8	50.8	0	0	0	0	110.8	N107 N109	T105-N107 PolarHBondContact O-N 2.81Å; T105-N107 PolarHBondContact OG1-O 2.89Å; T105-N109 PolarHBondContact N-OD1 2.71Å; T105-N109 PolarHBondContact O-ND2 2.7Å; T105-N109 PolarHBondContact O-OD1 3.37Å
106	Q	64.7	Low	91.3	Very high	195 Å²	195	46.6 Å²	46.6	91%	0.911	27%	0.27	S	S	*	.	S	Bend	trans	-53.9	-21.5	-168.2	-70.9	-178	-11	0	0	116.7
107	N	77.7	Confident	91.3	Very high	125 Å²	125	53.3 Å²	53.3	67%	0.668	31%	0.306	S	S	*	.	S	Bend	trans	-122.3	142.7	174.6	-66.3	-36.3	0	0	0	111.7	T105 P323	T105-N107 PolarHBondContact O-N 2.81Å; T105-N107 PolarHBondContact OG1-O 2.89Å; N107-P323 HydrophobicContact CB-CG 4.48Å; N107-P323 WeakPolarHBondContact O-CG 3.37Å
108	G	82.4	Confident	91.3	Very high	31 Å²	31	56.3 Å²	56.3	32%	0.32	32%	0.32	S	S	.	.	S	Bend	trans	84.2	11.7	167.9	0	0	0	0	0	117.2	A94 A95	A94-G108 WeakPolarHBondContact CA-O 3.28Å; A94-G108 WeakPolarHBondContact CB-O 3.05Å; A95-G108 PolarHBondContact N-O 2.89Å
109	N	91.5	Very high	91.4	Very high	46 Å²	46	57.1 Å²	57.1	25%	0.246	32%	0.324	C	S	.	.			trans	-68.2	164.9	172.2	-61.6	-27.9	0	0	0	112.8	A94 E96 A104 T105	A94-N109 WeakPolarHBondContact CB-O 3.45Å; E96-N109 HydrophobicContact CG-CB 4.26Å; E96-N109 WeakPolarHBondContact OE2-CB 3.13Å; A104-N109 WeakPolarHBondContact CB-ND2 3.27Å; T105-N109 PolarHBondContact N-OD1 2.71Å; T105-N109 PolarHBondContact O-ND2 2.7Å; T105-N109 PolarHBondContact O-OD1 3.37Å
110	V	96.6	Very high	91.3	Very high	14 Å²	14	61.1 Å²	61.1	9%	0.085	35%	0.348	C	S	.	.			trans	-85.6	-39.1	175.5	179.9	0	0	0	0	111	A94 E96 L135 Q137 T151 L185	A94-V110 HydrophobicContact CB-CG2 4.09Å; E96-V110 HydrophobicContact CB-CB 4.25Å; E96-V110 HydrophobicContact CB-CG2 3.99Å; E96-V110 WeakPolarHBondContact OE2-CA 3.28Å; E96-V110 PolarHBondContact OE2-N 3.35Å; V110-L135 HydrophobicContact CB-CB 4.5Å; V110-L135 HydrophobicContact CB-CD2 4.47Å; V110-L135 HydrophobicContact CG1-CD2 4.19Å; V110-L135 HydrophobicContact CG2-CB 3.93Å; V110-Q137 HydrophobicContact CG1-CB 4.23Å; V110-Q137 HydrophobicContact CG2-CB 3.97Å; V110-T151 HydrophobicContact CG1-CG2 3.96Å; V110-L185 HydrophobicContact CG1-CD2 3.68Å
111	G	95.8	Very high	91.3	Very high	15 Å²	15	66 Å²	66	16%	0.155	37%	0.369	C	S	.	.			trans	67.9	-158.8	-179	0	0	0	0	0	113.3	E96 R181	E96-G111 PolarHBondContact OE2-N 2.79Å; G111-R181 VanDerWaalsContact O-CZ 3.32Å; G111-R181 PolarHBondContact O-NH1 3.32Å
112	C	96.3	Very high	91.4	Very high	53 Å²	53	70.6 Å²	70.6	36%	0.358	39%	0.387	S	S	.	.			trans	57.8	74.6	-172.3	-59	0	0	0	0	112.3	R181 L185 A188	C112-R181 WeakPolarHBondContact O-CD 3.24Å; C112-R181 PolarHBondContact O-NH1 2.91Å; C112-L185 HydrophobicContact CB-CD2 3.76Å; C112-L185 HydrophobicContact CB-CG 4.14Å; C112-A188 HydrophobicContact CB-CB 4.42Å; C112-A188 WeakPolarHBondContact SG-CB 3.2Å
113	Y	96.9	Very high	91.6	Very high	81 Å²	81	70.4 Å²	70.4	32%	0.318	38%	0.384	S	S	.	.			trans	-78.5	-35.3	-177.3	-57.3	-69.1	0	0	0	113.3	E96 M116	E96-Y113 WeakPolarHBondContact OE1-CE1 3.24Å; Y113-M116 WeakPolarHBondContact O-CE 3.22Å
114	G	96.9	Very high	92	Very high	44 Å²	44	68.6 Å²	68.6	45%	0.454	38%	0.377	S	S	.	.			trans	83.5	-171.7	-169.2	0	0	0	0	0	112.1	A184	G114-A184 VanDerWaalsContact CA-CB 3.5Å
115	N	97	Very high	92.7	Very high	100 Å²	100	72 Å²	72	54%	0.535	38%	0.384	S	S	.	.			trans	-82	123.5	172	-175.7	-59.9	0	0	0	109.3	D117 I180	N115-D117 PolarHBondContact ND2-OD2 2.96Å; N115-D117 WeakPolarHBondContact OD1-CB 3.3Å; N115-D117 VanDerWaalsContact OD1-CG 3.26Å; N115-D117 PolarHBondContact OD1-N 3.04Å; N115-D117 PolarHBondContact OD1-OD2 2.94Å; N115-I180 VanDerWaalsContact O-CG2 3.22Å; N115-I180 WeakPolarHBondContact O-CG2 3.31Å
116	M	96.3	Very high	93.7	Very high	23 Å²	23	70.8 Å²	70.8	11%	0.113	38%	0.381	C	S	.	.			trans	-120.8	19.8	177.4	-61.3	-169.5	177.1	0	0	112.2	L99 Y113 E118 F119 L124 L177 I180	L99-M116 WeakPolarHBondContact O-CE 3.24Å; Y113-M116 WeakPolarHBondContact O-CE 3.22Å; M116-E118 PolarHBondContact O-N 3.38Å; M116-E118 VanDerWaalsContact O-N 3.09Å; M116-F119 HydrophobicContact CB-CD2 4.28Å; M116-F119 PolarHBondContact O-N 3.01Å; M116-L124 HydrophobicContact CB-CD1 4.39Å; M116-L124 HydrophobicContact SD-CD1 4.22Å; M116-L124 HydrophobicContact SD-CD2 3.95Å; M116-L177 HydrophobicContact CE-CD1 3.41Å; M116-L177 VanDerWaalsContact CE-CD1 3.41Å; M116-L177 HydrophobicContact CG-CD1 4.31Å; M116-L177 HydrophobicContact SD-CD1 3.55Å; M116-L177 VanDerWaalsContact SD-CD1 3.55Å; M116-I180 HydrophobicContact CE-CG2 4.42Å; M116-I180 HydrophobicContact CG-CG2 4.23Å
117	D	97.2	Very high	95.3	Very high	141 Å²	141	61.6 Å²	61.6	75%	0.754	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.3	-174.1	-56.6	-18.2	0	0	0	112.4	N115 F119	N115-D117 PolarHBondContact ND2-OD2 2.96Å; N115-D117 WeakPolarHBondContact OD1-CB 3.3Å; N115-D117 VanDerWaalsContact OD1-CG 3.26Å; N115-D117 PolarHBondContact OD1-N 3.04Å; N115-D117 PolarHBondContact OD1-OD2 2.94Å; D117-F119 VanDerWaalsContact C-N 3.26Å; D117-F119 PolarHBondContact O-N 3.41Å
118	E	97.8	Very high	96.2	Very high	80 Å²	80	55.6 Å²	55.6	37%	0.374	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.6	172.9	64.1	162.8	-90.5	0	0	114.4	M116 R173 R176	M116-E118 PolarHBondContact O-N 3.38Å; M116-E118 VanDerWaalsContact O-N 3.09Å; E118-R173 PolarHBondContact O-NH2 2.91Å; E118-R173 IonicContact OE1-CZ 3.6Å; E118-R173 IonicContact OE1-NH1 3.44Å; E118-R173 PolarHBondContact OE1-NH1 3.4Å; E118-R176 VanDerWaalsContact OE1-CG 3.23Å; E118-R176 WeakPolarHBondContact OE1-CG 3.5Å; E118-R176 IonicContact OE1-NE 2.71Å; E118-R176 PolarHBondContact OE1-NE 2.69Å; E118-R176 IonicContact OE2-CZ 3.64Å; E118-R176 IonicContact OE2-NE 3.64Å; E118-R176 PolarHBondContact OE2-NE 2.69Å; E118-R176 IonicContact OE2-NH2 3.88Å; E118-R176 PolarHBondContact OE2-NH2 2.88Å
119	F	98.2	Very high	96.9	Very high	17 Å²	17	54.5 Å²	54.5	8%	0.075	29%	0.293	C	S	.	.	S	Bend	trans	-117.4	145.3	177.5	-62.1	-99.4	0	0	0	111.7	M116 D117 E123 L124 L127 R173 R176 L177 I180	M116-F119 HydrophobicContact CB-CD2 4.28Å; M116-F119 PolarHBondContact O-N 3.01Å; D117-F119 VanDerWaalsContact C-N 3.26Å; D117-F119 PolarHBondContact O-N 3.41Å; F119-E123 HydrophobicContact CD1-CG 4.11Å; F119-E123 WeakPolarHBondContact CD1-OE2 3.35Å; F119-L124 HydrophobicContact CB-CD1 4.24Å; F119-L124 HydrophobicContact CB-CD2 3.59Å; F119-L124 HydrophobicContact CB-CG 3.65Å; F119-L124 HydrophobicContact CD1-CD2 3.88Å; F119-L124 HydrophobicContact CD2-CD2 4.15Å; F119-L124 HydrophobicContact CG-CD2 3.62Å; F119-L124 HydrophobicContact CG-CG 4.26Å; F119-L127 HydrophobicContact CD1-CD1 3.86Å; F119-L127 HydrophobicContact CE1-CD1 3.68Å; F119-R173 HydrophobicContact CE1-CB 4.37Å; F119-R176 HydrophobicContact CE2-CG 4.36Å; F119-R176 HydrophobicContact CZ-CB 4.16Å; F119-R176 HydrophobicContact CZ-CG 3.95Å; F119-L177 HydrophobicContact CE1-CB 4.06Å; F119-L177 HydrophobicContact CE2-CD1 4.37Å; F119-L177 HydrophobicContact CZ-CB 3.79Å; F119-L177 HydrophobicContact CZ-CD1 4.39Å; F119-I180 HydrophobicContact CE2-CD1 3.75Å; F119-I180 HydrophobicContact CZ-CD1 4.48Å
120	T	98.1	Very high	97.2	Very high	84 Å²	84	53.3 Å²	53.3	52%	0.515	29%	0.286	S	S	.	.			trans	-81	155.8	165.6	67.1	0	0	0	0	110.7	E122 E123 L124	T120-E122 PolarHBondContact O-N 3.01Å; T120-E123 PolarHBondContact O-N 3.38Å; T120-E123 VanDerWaalsContact O-N 3.08Å; T120-E123 WeakPolarHBondContact OG1-CB 3.43Å; T120-E123 PolarHBondContact OG1-N 3.22Å; T120-E123 VanDerWaalsContact OG1-N 3.12Å; T120-L124 WeakPolarHBondContact O-CG 3.36Å; T120-L124 PolarHBondContact O-N 3.4Å
121	Q	96.7	Very high	97.2	Very high	113 Å²	113	52.6 Å²	52.6	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-65	-26.2	178.3	-158.4	171.5	16.1	0	0	112	L102 R125	L102-Q121 HydrophobicContact CD1-CG 3.91Å; L102-Q121 HydrophobicContact CD2-CG 3.86Å; L102-Q121 VanDerWaalsContact CD2-NE2 3.28Å; Q121-R125 WeakPolarHBondContact O-CB 3.49Å; Q121-R125 PolarHBondContact O-N 3.03Å
122	E	97.4	Very high	97.3	Very high	114 Å²	114	52 Å²	52	53%	0.533	28%	0.275	S	S	.	.	H	α-helix	trans	-69.5	-40.5	172.7	-72.9	51.9	-113.5	0	0	111.5	T120 R125 A126	T120-E122 PolarHBondContact O-N 3.01Å; E122-R125 IonicContact OE1-CZ 3.19Å; E122-R125 IonicContact OE1-NH1 3.69Å; E122-R125 PolarHBondContact OE1-NH1 2.83Å; E122-R125 IonicContact OE1-NH2 2.69Å; E122-A126 WeakPolarHBondContact O-CB 3.49Å; E122-A126 PolarHBondContact O-N 3.49Å
123	E	97.9	Very high	97.4	Very high	52 Å²	52	49.5 Å²	49.5	24%	0.243	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-48.3	175.1	-174.9	178	-153.1	0	0	111.5	F119 T120 R125 A126 L127 R173	F119-E123 HydrophobicContact CD1-CG 4.11Å; F119-E123 WeakPolarHBondContact CD1-OE2 3.35Å; T120-E123 PolarHBondContact O-N 3.38Å; T120-E123 VanDerWaalsContact O-N 3.08Å; T120-E123 WeakPolarHBondContact OG1-CB 3.43Å; T120-E123 PolarHBondContact OG1-N 3.22Å; T120-E123 VanDerWaalsContact OG1-N 3.12Å; E123-R125 VanDerWaalsContact C-N 3.29Å; E123-R125 PolarHBondContact O-N 3.2Å; E123-A126 WeakPolarHBondContact O-CB 3.16Å; E123-A126 PolarHBondContact O-N 3.07Å; E123-A126 VanDerWaalsContact O-N 3.09Å; E123-L127 HydrophobicContact CG-CD1 3.99Å; E123-L127 HydrophobicContact CG-CG 4.35Å; E123-L127 VanDerWaalsContact O-CG 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.36Å; E123-L127 PolarHBondContact O-N 3.43Å; E123-R173 VanDerWaalsContact OE1-CG 3.31Å; E123-R173 WeakPolarHBondContact OE1-CG 3.41Å; E123-R173 IonicContact OE1-CZ 3.74Å; E123-R173 IonicContact OE1-NE 3.25Å; E123-R173 PolarHBondContact OE1-NE 3.2Å; E123-R173 IonicContact OE1-NH2 2.92Å; E123-R173 IonicContact OE2-CZ 2.68Å; E123-R173 IonicContact OE2-NE 2.77Å; E123-R173 IonicContact OE2-NH2 2.99Å; E123-R173 PolarHBondContact OE2-NH2 2.68Å
124	L	98.2	Very high	97.5	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-56	-44.6	174.6	-68	177.4	0	0	0	111.3	L102 M116 F119 T120 A126 L127 D128 L177	L102-L124 HydrophobicContact CD1-CB 3.5Å; L102-L124 HydrophobicContact CG-CB 4.47Å; M116-L124 HydrophobicContact CB-CD1 4.39Å; M116-L124 HydrophobicContact SD-CD1 4.22Å; M116-L124 HydrophobicContact SD-CD2 3.95Å; F119-L124 HydrophobicContact CB-CD1 4.24Å; F119-L124 HydrophobicContact CB-CD2 3.59Å; F119-L124 HydrophobicContact CB-CG 3.65Å; F119-L124 HydrophobicContact CD1-CD2 3.88Å; F119-L124 HydrophobicContact CD2-CD2 4.15Å; F119-L124 HydrophobicContact CG-CD2 3.62Å; F119-L124 HydrophobicContact CG-CG 4.26Å; T120-L124 WeakPolarHBondContact O-CG 3.36Å; T120-L124 PolarHBondContact O-N 3.4Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.11Å; L124-L127 PolarHBondContact O-N 2.87Å; L124-D128 PolarHBondContact O-N 2.92Å; L124-D128 VanDerWaalsContact O-N 3.15Å; L124-L177 HydrophobicContact CD2-CD1 3.61Å; L124-L177 HydrophobicContact CD2-CD2 3.97Å; L124-L177 HydrophobicContact CD2-CG 4.44Å
125	R	97.4	Very high	97.6	Very high	100 Å²	100	43.6 Å²	43.6	38%	0.377	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-41.3	176.3	-171	-177.8	-60.5	112.2	1.5	111.3	L102 F103 Q121 E122 E123 S129	L102-R125 HydrophobicContact CD1-CB 4.02Å; F103-R125 HydrophobicContact CZ-CG 4.21Å; Q121-R125 WeakPolarHBondContact O-CB 3.49Å; Q121-R125 PolarHBondContact O-N 3.03Å; E122-R125 IonicContact OE1-CZ 3.19Å; E122-R125 IonicContact OE1-NH1 3.69Å; E122-R125 PolarHBondContact OE1-NH1 2.83Å; E122-R125 IonicContact OE1-NH2 2.69Å; E123-R125 VanDerWaalsContact C-N 3.29Å; E123-R125 PolarHBondContact O-N 3.2Å; R125-S129 WeakPolarHBondContact O-CB 3.48Å; R125-S129 PolarHBondContact O-N 2.98Å; R125-S129 PolarHBondContact O-OG 3.43Å
126	A	97	Very high	97.7	Very high	43 Å²	43	38.8 Å²	38.8	36%	0.355	20%	0.196	S	C	.	.	H	α-helix	trans	-64.7	-47.5	176.9	0	0	0	0	0	111.9	E122 E123 L124 D128 S129	E122-A126 WeakPolarHBondContact O-CB 3.49Å; E122-A126 PolarHBondContact O-N 3.49Å; E123-A126 WeakPolarHBondContact O-CB 3.16Å; E123-A126 PolarHBondContact O-N 3.07Å; E123-A126 VanDerWaalsContact O-N 3.09Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.11Å; A126-D128 PolarHBondContact O-N 2.98Å; A126-S129 PolarHBondContact O-N 3.24Å; A126-S129 PolarHBondContact O-OG 2.79Å
127	L	97.7	Very high	97.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-48.4	-179	-72.4	169.8	0	0	0	112.3	F119 E123 L124 F170 R173 F174 L177	F119-L127 HydrophobicContact CD1-CD1 3.86Å; F119-L127 HydrophobicContact CE1-CD1 3.68Å; E123-L127 HydrophobicContact CG-CD1 3.99Å; E123-L127 HydrophobicContact CG-CG 4.35Å; E123-L127 VanDerWaalsContact O-CG 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.36Å; E123-L127 PolarHBondContact O-N 3.43Å; L124-L127 PolarHBondContact O-N 2.87Å; L127-F170 HydrophobicContact CD2-CD2 3.97Å; L127-F170 HydrophobicContact CD2-CE1 4.38Å; L127-F170 HydrophobicContact CD2-CE2 3.82Å; L127-F170 HydrophobicContact CD2-CG 4.34Å; L127-F170 HydrophobicContact CD2-CZ 4.04Å; L127-F170 HydrophobicContact CG-CE2 4.42Å; L127-R173 HydrophobicContact CD1-CB 4.34Å; L127-R173 HydrophobicContact CD2-CB 4.22Å; L127-F174 HydrophobicContact CD2-CB 3.92Å; L127-F174 HydrophobicContact CD2-CD2 4.38Å; L127-L177 HydrophobicContact CB-CD2 4.01Å; L127-L177 HydrophobicContact CD1-CB 4.4Å; L127-L177 HydrophobicContact CD1-CD2 3.76Å
128	D	97.8	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-77.2	-26.2	178.9	-76.6	-25.3	0	0	0	113.1	G98 L99 S100 F103 L124 A126 E130 G131	G98-D128 VanDerWaalsContact CA-CG 3.42Å; G98-D128 VanDerWaalsContact CA-OD1 3.26Å; G98-D128 WeakPolarHBondContact CA-OD1 3.34Å; L99-D128 VanDerWaalsContact N-CG 3.3Å; L99-D128 PolarHBondContact N-OD1 3.43Å; L99-D128 PolarHBondContact N-OD2 3.23Å; L99-D128 VanDerWaalsContact N-OD2 3.11Å; S100-D128 VanDerWaalsContact CB-OD2 3.24Å; S100-D128 WeakPolarHBondContact CB-OD2 3.33Å; S100-D128 PolarHBondContact N-OD2 3.05Å; S100-D128 PolarHBondContact OG-OD2 3.26Å; F103-D128 HydrophobicContact CD2-CB 3.86Å; F103-D128 HydrophobicContact CE2-CB 3.62Å; L124-D128 PolarHBondContact O-N 2.92Å; L124-D128 VanDerWaalsContact O-N 3.15Å; A126-D128 PolarHBondContact O-N 2.98Å; D128-E130 PolarHBondContact O-N 2.92Å; D128-E130 VanDerWaalsContact O-N 3.09Å; D128-G131 PolarHBondContact O-N 3.02Å
129	S	96.9	Very high	97.9	Very high	7 Å²	7	32 Å²	32	5%	0.049	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-17.2	-173.9	66.2	0	0	0	0	115.4	R74 N75 R125 A126 G131	R74-S129 PolarHBondContact N-O 2.89Å; N75-S129 PolarHBondContact ND2-OG 2.85Å; R125-S129 WeakPolarHBondContact O-CB 3.48Å; R125-S129 PolarHBondContact O-N 2.98Å; R125-S129 PolarHBondContact O-OG 3.43Å; A126-S129 PolarHBondContact O-N 3.24Å; A126-S129 PolarHBondContact O-OG 2.79Å; S129-G131 PolarHBondContact O-N 3.08Å
130	E	96.8	Very high	97.9	Very high	21 Å²	21	31.3 Å²	31.3	10%	0.098	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.3	172.7	-69.8	-165.1	-177.7	0	0	113.6	Y79 S80 D128 R132 R167 F170	Y79-E130 HydrophobicContact CE1-CB 4.47Å; Y79-E130 HydrophobicContact CE1-CG 4.24Å; Y79-E130 PolarHBondContact OH-OE2 3.2Å; S80-E130 WeakPolarHBondContact CB-O 3.48Å; S80-E130 PolarHBondContact OG-O 2.98Å; D128-E130 PolarHBondContact O-N 2.92Å; D128-E130 VanDerWaalsContact O-N 3.09Å; E130-R132 HydrophobicContact CB-CG 3.86Å; E130-R132 IonicContact OE2-CZ 3.19Å; E130-R132 IonicContact OE2-NE 2.81Å; E130-R132 PolarHBondContact OE2-NE 3.47Å; E130-R132 IonicContact OE2-NH2 3.4Å; E130-R132 PolarHBondContact OE2-NH2 2.67Å; E130-R167 IonicContact OE1-CZ 3.42Å; E130-R167 IonicContact OE1-NH1 3.05Å; E130-R167 PolarHBondContact OE1-NH1 3.07Å; E130-R167 IonicContact OE1-NH2 2.8Å; E130-R167 PolarHBondContact OE1-NH2 3.22Å; E130-R167 VanDerWaalsContact OE1-NH2 3.12Å; E130-R167 IonicContact OE2-CZ 2.7Å; E130-R167 IonicContact OE2-NH1 2.83Å; E130-R167 IonicContact OE2-NH2 3.18Å; E130-R167 PolarHBondContact OE2-NH2 3.36Å; E130-F170 HydrophobicContact CG-CE1 4.46Å; E130-F170 HydrophobicContact CG-CZ 4.08Å
131	G	97.2	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.			trans	66.1	52	175.9	0	0	0	0	0	112.7	S71 G81 V82 D128 S129	S71-G131 WeakPolarHBondContact OG-CA 3.39Å; G81-G131 CarbonylContact C-O 3.56Å; G81-G131 WeakPolarHBondContact CA-O 3.37Å; G81-G131 PolarHBondContact N-O 2.74Å; V82-G131 PolarHBondContact N-O 3.37Å; D128-G131 PolarHBondContact O-N 3.02Å; S129-G131 PolarHBondContact O-N 3.08Å
132	R	98.5	Very high	97.8	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	13%	0.129	C	C	.	.			trans	-109	-12	-166.5	-75.2	-172.4	174.1	-70	-12.8	115.5	Y79 E130 V155 Y156 C157 F174	Y79-R132 PolarHBondContact OH-NH2 2.94Å; E130-R132 HydrophobicContact CB-CG 3.86Å; E130-R132 IonicContact OE2-CZ 3.19Å; E130-R132 IonicContact OE2-NE 2.81Å; E130-R132 PolarHBondContact OE2-NE 3.47Å; E130-R132 IonicContact OE2-NH2 3.4Å; E130-R132 PolarHBondContact OE2-NH2 2.67Å; R132-V155 WeakPolarHBondContact O-CA 3.35Å; R132-Y156 WeakPolarHBondContact CB-O 3.48Å; R132-Y156 VanDerWaalsContact CD-O 3.32Å; R132-Y156 WeakPolarHBondContact CD-O 3.34Å; R132-Y156 WeakPolarHBondContact CG-O 3.46Å; R132-Y156 PolarHBondContact NH1-O 2.85Å; R132-Y156 PolarHBondContact O-N 2.77Å; R132-C157 PolarHBondContact NH1-O 2.81Å; R132-F174 HydrophobicContact CB-CE2 3.57Å; R132-F174 HydrophobicContact CB-CZ 3.61Å; R132-F174 HydrophobicContact CG-CE2 4.45Å
133	A	98.6	Very high	97.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.9	-174.7	0	0	0	0	0	110.5	G98 L99 N154 F174	G98-A133 PolarHBondContact N-O 3.02Å; L99-A133 HydrophobicContact CD1-CB 4.25Å; L99-A133 HydrophobicContact CD2-CB 3.72Å; L99-A133 HydrophobicContact CG-CB 3.6Å; A133-N154 WeakPolarHBondContact CA-O 3.35Å; A133-F174 HydrophobicContact CB-CZ 4.32Å
134	L	98.7	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	120.2	178.2	172.2	67	0	0	0	108.7	Y69 V82 T84 N154 L324	Y69-L134 WeakPolarHBondContact O-CD2 3.27Å; V82-L134 HydrophobicContact CG2-CB 3.58Å; T84-L134 WeakPolarHBondContact OG1-CD2 3.07Å; L134-N154 HydrophobicContact CB-CB 4.37Å; L134-N154 PolarHBondContact N-O 2.69Å; L134-N154 WeakPolarHBondContact O-CB 3.35Å; L134-N154 PolarHBondContact O-N 2.67Å; L134-L324 HydrophobicContact CD1-CD2 3.74Å
135	L	98.8	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.5	179	-69.8	78.8	0	0	0	109.7	A95 E96 G98 L99 V110 T151 L152 I153 R181 L185	A95-L135 CarbonylContact C-O 3.57Å; A95-L135 VanDerWaalsContact CA-O 3.24Å; A95-L135 WeakPolarHBondContact CA-O 3.42Å; E96-L135 PolarHBondContact N-O 2.96Å; E96-L135 PolarHBondContact O-N 2.98Å; G98-L135 WeakPolarHBondContact O-CD1 3.44Å; L99-L135 HydrophobicContact CD2-CD1 4.37Å; V110-L135 HydrophobicContact CB-CB 4.5Å; V110-L135 HydrophobicContact CB-CD2 4.47Å; V110-L135 HydrophobicContact CG1-CD2 4.19Å; V110-L135 HydrophobicContact CG2-CB 3.93Å; L135-T151 HydrophobicContact CB-CG2 4.43Å; L135-T151 HydrophobicContact CD2-CG2 4.03Å; L135-L152 WeakPolarHBondContact CA-O 3.41Å; L135-I153 HydrophobicContact CD1-CG2 4.11Å; L135-I153 HydrophobicContact CD2-CD1 4.45Å; L135-I153 HydrophobicContact CD2-CG1 4.18Å; L135-I153 HydrophobicContact CG-CB 4.41Å; L135-I153 HydrophobicContact CG-CG1 4.12Å; L135-I153 HydrophobicContact CG-CG2 4.06Å; L135-R181 HydrophobicContact CD2-CG 4.4Å; L135-R181 VanDerWaalsContact CD2-NE 3.34Å; L135-L185 HydrophobicContact CD2-CD1 3.72Å
136	T	98.8	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.4	164.5	57.5	0	0	0	0	108.5	Y69 T84 P92 A95 H138 L152	Y69-T136 HydrophobicContact CD2-CG2 3.89Å; Y69-T136 HydrophobicContact CG-CG2 4.16Å; T84-T136 HydrophobicContact CG2-CG2 3.91Å; P92-T136 HydrophobicContact CG-CG2 4.46Å; A95-T136 HydrophobicContact CB-CG2 4.2Å; T136-H138 WeakPolarHBondContact CB-NE2 3.37Å; T136-H138 PolarHBondContact O-CD2 3.41Å; T136-H138 PolarHBondContact OG1-NE2 2.71Å; T136-L152 PolarHBondContact N-O 3.35Å; T136-L152 PolarHBondContact O-N 2.97Å
137	Q	98.6	Very high	96.5	Very high	34 Å²	34	36.2 Å²	36.2	16%	0.159	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.6	-179.2	-176.3	177.7	85.7	0	0	109.4	P92 V93 A94 V110 I149 T151	P92-Q137 CarbonylContact C-O 3.57Å; P92-Q137 VanDerWaalsContact CA-O 3.28Å; P92-Q137 WeakPolarHBondContact CA-O 3.23Å; P92-Q137 WeakPolarHBondContact CB-O 3.36Å; V93-Q137 HydrophobicContact CG2-CB 4.38Å; V93-Q137 HydrophobicContact CG2-CG 4.07Å; V93-Q137 VanDerWaalsContact CG2-O 3.28Å; V93-Q137 WeakPolarHBondContact CG2-O 3.24Å; V93-Q137 PolarHBondContact N-O 2.92Å; A94-Q137 HydrophobicContact CB-CB 4.17Å; A94-Q137 PolarHBondContact N-O 2.93Å; A94-Q137 PolarHBondContact O-N 2.87Å; V110-Q137 HydrophobicContact CG1-CB 4.23Å; V110-Q137 HydrophobicContact CG2-CB 3.97Å; Q137-I149 HydrophobicContact CG-CG2 3.3Å; Q137-T151 PolarHBondContact NE2-OG1 2.85Å
138	H	98.6	Very high	96.5	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.1	-171.9	-63.8	-90.4	0	0	0	110.1	I43 A90 T136 I149 L150	I43-H138 VanDerWaalsContact CD1-CE1 3.43Å; I43-H138 WeakPolarHBondContact CD1-CE1 3.44Å; A90-H138 PolarHBondContact O-CE1 3.45Å; A90-H138 VanDerWaalsContact O-CE1 3.23Å; A90-H138 PolarHBondContact O-ND1 2.97Å; T136-H138 WeakPolarHBondContact CB-NE2 3.37Å; T136-H138 PolarHBondContact O-CD2 3.41Å; T136-H138 PolarHBondContact OG1-NE2 2.71Å; H138-I149 WeakPolarHBondContact O-CA 3.1Å; H138-L150 PolarHBondContact N-O 2.75Å; H138-L150 PolarHBondContact O-N 3.03Å
139	K	98.4	Very high	96.6	Very high	65 Å²	65	44.3 Å²	44.3	28%	0.283	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.8	163.4	-178.4	-176.5	-87.1	-159.1	0	108.5	V93 E147 V316	V93-K139 HydrophobicContact CG1-CB 4.4Å; K139-E147 HydrophobicContact CD-CB 4.42Å; K139-E147 WeakPolarHBondContact CD-OE2 3.44Å; K139-E147 WeakPolarHBondContact CE-OE2 3.35Å; K139-E147 HydrophobicContact CG-CB 4.49Å; K139-E147 IonicContact NZ-OE2 3.31Å; K139-E147 PolarHBondContact NZ-OE2 2.89Å; K139-V316 HydrophobicContact CB-CB 4.14Å; K139-V316 HydrophobicContact CD-CB 3.82Å; K139-V316 HydrophobicContact CD-CG1 3.73Å; K139-V316 HydrophobicContact CD-CG2 4.39Å; K139-V316 HydrophobicContact CG-CB 3.85Å; K139-V316 HydrophobicContact CG-CG1 4.33Å; K139-V316 HydrophobicContact CG-CG2 4.32Å; K139-V316 PolarHBondContact O-N 3.34Å
140	I	98.1	Very high	96.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155.1	175	54.3	162	0	0	0	109.9	L2 E147 R148 L150 L285 V313 S314	L2-I140 HydrophobicContact CD2-CG2 4.15Å; I140-E147 CarbonylContact O-C 3.44Å; I140-E147 WeakPolarHBondContact O-CA 3.24Å; I140-R148 HydrophobicContact CD1-CB 4.31Å; I140-R148 HydrophobicContact CG1-CB 4.02Å; I140-R148 WeakPolarHBondContact CG1-O 3.49Å; I140-R148 PolarHBondContact N-O 2.89Å; I140-R148 PolarHBondContact O-N 3.22Å; I140-L150 HydrophobicContact CD1-CB 3.91Å; I140-L150 HydrophobicContact CD1-CD2 4.22Å; I140-L150 HydrophobicContact CG1-CB 3.97Å; I140-L150 HydrophobicContact CG2-CB 4.14Å; I140-L150 HydrophobicContact CG2-CD2 3.9Å; I140-L285 HydrophobicContact CD1-CD1 4.31Å; I140-V313 HydrophobicContact CB-CB 4.36Å; I140-V313 HydrophobicContact CB-CG2 4.17Å; I140-V313 HydrophobicContact CD1-CG1 4.24Å; I140-V313 HydrophobicContact CG2-CG2 4.04Å; I140-S314 CarbonylContact C-O 3.38Å; I140-S314 WeakPolarHBondContact CA-O 3.28Å
141	R	97.6	Very high	96.8	Very high	96 Å²	96	43 Å²	43	36%	0.362	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.2	171.8	-170.2	-179.1	-62.5	142.5	0.4	109.7	G145 K146 E147 S314 V316	R141-G145 WeakPolarHBondContact CG-O 3.45Å; R141-K146 WeakPolarHBondContact CA-O 3.32Å; R141-E147 HydrophobicContact CG-CG 4.38Å; R141-E147 IonicContact CZ-OE1 2.71Å; R141-E147 IonicContact NE-OE1 3.22Å; R141-E147 PolarHBondContact NE-OE1 3.04Å; R141-E147 IonicContact NH2-OE1 3.83Å; R141-E147 PolarHBondContact NH2-OE1 2.93Å; R141-S314 PolarHBondContact N-O 3.44Å; R141-S314 PolarHBondContact O-N 2.67Å; R141-S314 PolarHBondContact O-OG 2.97Å; R141-V316 HydrophobicContact CB-CG2 3.93Å
142	T	94.1	Very high	96.8	Very high	21 Å²	21	43 Å²	43	13%	0.129	20%	0.196	C	C	.	.			trans	-74.2	170.8	-179.8	68.3	0	0	0	0	111.3	E144 G145 K146 R148	T142-E144 PolarHBondContact O-N 2.93Å; T142-E144 PolarHBondContact OG1-N 2.86Å; T142-G145 PolarHBondContact O-N 2.92Å; T142-K146 PolarHBondContact N-O 2.84Å; T142-K146 PolarHBondContact OG1-O 3.38Å; T142-R148 HydrophobicContact CG2-CG 4.25Å
143	W	88.1	Confident	96.9	Very high	198 Å²	198	42.9 Å²	42.9	75%	0.75	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.9	174.5	66.7	-95.7	0	0	0	113.2	G145	W143-G145 PolarHBondContact O-N 2.93Å
144	E	90.8	Very high	96.9	Very high	96 Å²	96	42.8 Å²	42.8	45%	0.449	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	0.3	172.7	-53.2	-180	103.9	0	0	113.6	T142 K146	T142-E144 PolarHBondContact O-N 2.93Å; T142-E144 PolarHBondContact OG1-N 2.86Å; E144-K146 HydrophobicContact CB-CD 4.35Å; E144-K146 HydrophobicContact CB-CG 4.15Å; E144-K146 PolarHBondContact O-N 2.85Å; E144-K146 IonicContact OE1-NZ 2.7Å; E144-K146 PolarHBondContact OE1-NZ 2.95Å; E144-K146 VanDerWaalsContact OE2-CD 3.29Å; E144-K146 WeakPolarHBondContact OE2-CD 3.23Å; E144-K146 VanDerWaalsContact OE2-CE 3.23Å; E144-K146 WeakPolarHBondContact OE2-CE 3.43Å; E144-K146 IonicContact OE2-NZ 2.76Å; E144-K146 PolarHBondContact OE2-NZ 2.9Å
145	G	92	Very high	96.9	Very high	45 Å²	45	42.8 Å²	42.8	46%	0.464	20%	0.195	S	C	.	.	S	Bend	trans	76	-2.2	-174.2	0	0	0	0	0	114.9	R141 T142 W143	R141-G145 WeakPolarHBondContact CG-O 3.45Å; T142-G145 PolarHBondContact O-N 2.92Å; W143-G145 PolarHBondContact O-N 2.93Å
146	K	94.6	Very high	96.9	Very high	93 Å²	93	43.6 Å²	43.6	40%	0.404	20%	0.198	S	C	.	.			trans	-72.4	132.2	179.4	-61.3	177.4	-162.9	152.4	0	110.5	R141 T142 E144	R141-K146 WeakPolarHBondContact CA-O 3.32Å; T142-K146 PolarHBondContact N-O 2.84Å; T142-K146 PolarHBondContact OG1-O 3.38Å; E144-K146 HydrophobicContact CB-CD 4.35Å; E144-K146 HydrophobicContact CB-CG 4.15Å; E144-K146 PolarHBondContact O-N 2.85Å; E144-K146 IonicContact OE1-NZ 2.7Å; E144-K146 PolarHBondContact OE1-NZ 2.95Å; E144-K146 VanDerWaalsContact OE2-CD 3.29Å; E144-K146 WeakPolarHBondContact OE2-CD 3.23Å; E144-K146 VanDerWaalsContact OE2-CE 3.23Å; E144-K146 WeakPolarHBondContact OE2-CE 3.43Å; E144-K146 IonicContact OE2-NZ 2.76Å; E144-K146 PolarHBondContact OE2-NZ 2.9Å
147	E	96.9	Very high	96.9	Very high	76 Å²	76	43.6 Å²	43.6	36%	0.355	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138	171.9	-59.5	-166.8	155.1	0	0	110.8	K139 I140 R141	K139-E147 HydrophobicContact CD-CB 4.42Å; K139-E147 WeakPolarHBondContact CD-OE2 3.44Å; K139-E147 WeakPolarHBondContact CE-OE2 3.35Å; K139-E147 HydrophobicContact CG-CB 4.49Å; K139-E147 IonicContact NZ-OE2 3.31Å; K139-E147 PolarHBondContact NZ-OE2 2.89Å; I140-E147 CarbonylContact O-C 3.44Å; I140-E147 WeakPolarHBondContact O-CA 3.24Å; R141-E147 HydrophobicContact CG-CG 4.38Å; R141-E147 IonicContact CZ-OE1 2.71Å; R141-E147 IonicContact NE-OE1 3.22Å; R141-E147 PolarHBondContact NE-OE1 3.04Å; R141-E147 IonicContact NH2-OE1 3.83Å; R141-E147 PolarHBondContact NH2-OE1 2.93Å
148	R	97.6	Very high	96.8	Very high	115 Å²	115	42 Å²	42	43%	0.434	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.3	177.7	-66.4	-63.7	-173.8	-132	12.1	110.1	I140 T142	I140-R148 HydrophobicContact CD1-CB 4.31Å; I140-R148 HydrophobicContact CG1-CB 4.02Å; I140-R148 WeakPolarHBondContact CG1-O 3.49Å; I140-R148 PolarHBondContact N-O 2.89Å; I140-R148 PolarHBondContact O-N 3.22Å; T142-R148 HydrophobicContact CG2-CG 4.25Å
149	I	98.4	Very high	96.6	Very high	56 Å²	56	46.8 Å²	46.8	29%	0.287	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.3	170.6	-56.5	-56.9	0	0	0	108.4	Q137 H138 H191	Q137-I149 HydrophobicContact CG-CG2 3.3Å; H138-I149 WeakPolarHBondContact O-CA 3.1Å; I149-H191 PolarHBondContact O-N 3.22Å
150	L	98.8	Very high	96.2	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	114.4	177.4	171.4	61.3	0	0	0	108.8	L2 H138 I140 L152 H191 I193 L285 L311	L2-L150 HydrophobicContact CD2-CD2 3.97Å; H138-L150 PolarHBondContact N-O 2.75Å; H138-L150 PolarHBondContact O-N 3.03Å; I140-L150 HydrophobicContact CD1-CB 3.91Å; I140-L150 HydrophobicContact CD1-CD2 4.22Å; I140-L150 HydrophobicContact CG1-CB 3.97Å; I140-L150 HydrophobicContact CG2-CB 4.14Å; I140-L150 HydrophobicContact CG2-CD2 3.9Å; L150-L152 HydrophobicContact CD1-CD1 4.18Å; L150-L152 HydrophobicContact CD2-CD1 3.89Å; L150-L152 HydrophobicContact CG-CD1 3.7Å; L150-H191 CarbonylContact C-O 3.53Å; L150-H191 WeakPolarHBondContact CA-O 3.42Å; L150-H191 HydrophobicContact CD1-CB 3.9Å; L150-I193 HydrophobicContact CD1-CD1 4.06Å; L150-I193 HydrophobicContact CD1-CG1 4.01Å; L150-I193 HydrophobicContact CD2-CD1 4.42Å; L150-L285 HydrophobicContact CD1-CD2 3.64Å; L150-L311 HydrophobicContact CD2-CD2 4.43Å
151	T	98.9	Very high	95.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.4	176.7	-54.4	0	0	0	0	109.9	V110 L135 Q137 I153 L185 S190 H191 V192 I193	V110-T151 HydrophobicContact CG1-CG2 3.96Å; L135-T151 HydrophobicContact CB-CG2 4.43Å; L135-T151 HydrophobicContact CD2-CG2 4.03Å; Q137-T151 PolarHBondContact NE2-OG1 2.85Å; T151-I153 HydrophobicContact CG2-CG1 4.32Å; T151-L185 HydrophobicContact CG2-CD1 3.97Å; T151-L185 HydrophobicContact CG2-CD2 4.37Å; T151-S190 PolarHBondContact N-OG 2.6Å; T151-S190 PolarHBondContact OG1-OG 2.94Å; T151-H191 PolarHBondContact N-O 2.92Å; T151-V192 WeakPolarHBondContact O-CA 3.23Å; T151-I193 PolarHBondContact O-N 3.45Å
152	L	98.9	Very high	94.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.9	168.5	-88.9	65.4	0	0	0	108.9	V4 I43 L135 T136 L150 I193 L195	V4-L152 HydrophobicContact CG1-CD2 4.11Å; I43-L152 HydrophobicContact CB-CD2 4.22Å; I43-L152 HydrophobicContact CD1-CD2 3.82Å; I43-L152 HydrophobicContact CG2-CD2 3.79Å; L135-L152 WeakPolarHBondContact CA-O 3.41Å; T136-L152 PolarHBondContact N-O 3.35Å; T136-L152 PolarHBondContact O-N 2.97Å; L150-L152 HydrophobicContact CD1-CD1 4.18Å; L150-L152 HydrophobicContact CD2-CD1 3.89Å; L150-L152 HydrophobicContact CG-CD1 3.7Å; L152-I193 CarbonylContact C-O 3.47Å; L152-I193 WeakPolarHBondContact CA-O 3.47Å; L152-I193 HydrophobicContact CD1-CB 4.34Å; L152-I193 HydrophobicContact CD1-CD1 4.26Å; L152-I193 HydrophobicContact CG-CB 4.27Å; L152-L195 HydrophobicContact CB-CD2 4.02Å; L152-L195 HydrophobicContact CD2-CD1 4.39Å; L152-L195 HydrophobicContact CD2-CD2 4.23Å; L152-L195 HydrophobicContact CG-CD2 3.99Å
153	I	98.9	Very high	94.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	96.6	174.2	-44.3	-176.8	0	0	0	107.6	L99 L135 T151 V155 L178 A182 L185 V192 I193 I194 L195	L99-I153 HydrophobicContact CD2-CG2 4.09Å; L135-I153 HydrophobicContact CD1-CG2 4.11Å; L135-I153 HydrophobicContact CD2-CD1 4.45Å; L135-I153 HydrophobicContact CD2-CG1 4.18Å; L135-I153 HydrophobicContact CG-CB 4.41Å; L135-I153 HydrophobicContact CG-CG1 4.12Å; L135-I153 HydrophobicContact CG-CG2 4.06Å; T151-I153 HydrophobicContact CG2-CG1 4.32Å; I153-V155 HydrophobicContact CG2-CG1 3.76Å; I153-V155 PolarHBondContact O-N 3.29Å; I153-L178 HydrophobicContact CG2-CD1 3.93Å; I153-A182 HydrophobicContact CD1-CB 3.93Å; I153-L185 HydrophobicContact CD1-CD1 3.86Å; I153-L185 HydrophobicContact CG1-CD1 4.47Å; I153-V192 HydrophobicContact CD1-CG1 3.86Å; I153-V192 HydrophobicContact CG1-CG1 4.22Å; I153-I193 PolarHBondContact N-O 3.19Å; I153-I194 HydrophobicContact CD1-CG1 4.38Å; I153-L195 PolarHBondContact O-N 3.18Å
154	N	98.9	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.2	174.2	177.4	-5.3	0	0	0	108.7	C45 Q47 A83 T84 A133 L134 L195	C45-N154 HydrophobicContact CB-CB 4.08Å; Q47-N154 PolarHBondContact NE2-OD1 2.98Å; A83-N154 PolarHBondContact O-ND2 3.4Å; T84-N154 WeakPolarHBondContact OG1-CB 3.38Å; T84-N154 PolarHBondContact OG1-ND2 2.76Å; A133-N154 WeakPolarHBondContact CA-O 3.35Å; L134-N154 HydrophobicContact CB-CB 4.37Å; L134-N154 PolarHBondContact N-O 2.69Å; L134-N154 WeakPolarHBondContact O-CB 3.35Å; L134-N154 PolarHBondContact O-N 2.67Å; N154-L195 WeakPolarHBondContact CA-O 3.14Å
155	V	98.9	Very high	94.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.7	-174	-66.5	0	0	0	0	113.7	Q47 R132 I153 L178 I194 L195 G196 D197 L198	Q47-V155 WeakPolarHBondContact CG-O 3.33Å; R132-V155 WeakPolarHBondContact O-CA 3.35Å; I153-V155 HydrophobicContact CG2-CG1 3.76Å; I153-V155 PolarHBondContact O-N 3.29Å; V155-L178 HydrophobicContact CG1-CD1 3.78Å; V155-L178 HydrophobicContact CG1-CD2 4.13Å; V155-I194 HydrophobicContact CG1-CG2 4.47Å; V155-I194 HydrophobicContact CG2-CG2 3.8Å; V155-L195 PolarHBondContact N-O 3.48Å; V155-G196 WeakPolarHBondContact O-CA 2.98Å; V155-D197 PolarHBondContact O-N 2.87Å; V155-L198 HydrophobicContact CG2-CD2 3.66Å
156	Y	98.8	Very high	94.9	Very high	17 Å²	17	49.3 Å²	49.3	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	92.2	162.3	175.3	-133.2	0	0	0	108.3	Q47 E48 S80 R132 D197	Q47-Y156 HydrophobicContact CB-CD2 4.41Å; Q47-Y156 HydrophobicContact CB-CG 4.43Å; E48-Y156 HydrophobicContact CB-CD1 4.45Å; E48-Y156 HydrophobicContact CB-CE1 4.22Å; E48-Y156 HydrophobicContact CB-CE2 4.37Å; E48-Y156 HydrophobicContact CG-CD1 4.32Å; E48-Y156 HydrophobicContact CG-CE1 3.68Å; E48-Y156 HydrophobicContact CG-CE2 4.36Å; E48-Y156 PolarHBondContact OE1-OH 2.8Å; S80-Y156 WeakPolarHBondContact OG-CD1 3.45Å; R132-Y156 WeakPolarHBondContact CB-O 3.48Å; R132-Y156 VanDerWaalsContact CD-O 3.32Å; R132-Y156 WeakPolarHBondContact CD-O 3.34Å; R132-Y156 WeakPolarHBondContact CG-O 3.46Å; R132-Y156 PolarHBondContact NH1-O 2.85Å; R132-Y156 PolarHBondContact O-N 2.77Å; Y156-D197 HydrophobicContact CD2-CB 4.16Å; Y156-D197 WeakPolarHBondContact CE2-OD2 3.39Å
157	C	98.6	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.2	150.2	-174.9	-69	0	0	0	0	111.7	R132 H159 F174 Y175 D197 L198 N199	R132-C157 PolarHBondContact NH1-O 2.81Å; C157-H159 PolarHBondContact O-N 3Å; C157-F174 HydrophobicContact CB-CD1 4.45Å; C157-F174 HydrophobicContact CB-CE1 4.42Å; C157-Y175 HydrophobicContact CB-CD1 4.48Å; C157-Y175 HydrophobicContact CB-CE1 3.79Å; C157-D197 PolarHBondContact N-O 2.82Å; C157-L198 WeakPolarHBondContact CB-O 3.37Å; C157-N199 PolarHBondContact O-ND2 3.39Å
158	P	97.5	Very high	94.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-64.6	131.6	-177.6	-21.1	32.2	0	0	0	113.1	F170 K171 F174	P158-F170 HydrophobicContact CB-CD1 3.78Å; P158-F170 HydrophobicContact CB-CE1 4.2Å; P158-F170 HydrophobicContact CG-CD1 3.55Å; P158-F170 HydrophobicContact CG-CE1 3.68Å; P158-K171 HydrophobicContact CB-CB 4.1Å; P158-K171 VanDerWaalsContact O-CD 3.28Å; P158-K171 WeakPolarHBondContact O-CD 3.34Å; P158-K171 VanDerWaalsContact O-CG 3.25Å; P158-K171 WeakPolarHBondContact O-CG 3.44Å; P158-F174 VanDerWaalsContact CD-CD1 3.47Å; P158-F174 HydrophobicContact CG-CB 3.75Å; P158-F174 HydrophobicContact CG-CD1 4.28Å; P158-F174 HydrophobicContact CG-CD2 4.34Å; P158-F174 HydrophobicContact CG-CG 3.87Å
159	H	94.1	Very high	94.8	Very high	104 Å²	104	44.5 Å²	44.5	48%	0.481	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-71	133.7	166.2	-169.6	80.6	0	0	0	110.7	C157 N199	C157-H159 PolarHBondContact O-N 3Å; H159-N199 PolarHBondContact ND1-OD1 3.05Å
160	A	90.5	Very high	94.8	Very high	26 Å²	26	43.5 Å²	43.5	22%	0.215	25%	0.247	C	C	.	.			trans	-89.5	109.7	172.7	0	0	0	0	0	109.6	L168 K171	A160-L168 HydrophobicContact CB-CB 4.13Å; A160-L168 HydrophobicContact CB-CD1 3.93Å; A160-K171 HydrophobicContact CB-CD 3.87Å
161	D	86.5	Confident	94.7	Very high	51 Å²	51	44 Å²	44	27%	0.273	25%	0.249	S	C	.	.			trans	-90.9	119.4	-178.2	175.6	-7.2	0	0	0	109.7	G163 R164	D161-G163 PolarHBondContact O-N 3.38Å; D161-G163 VanDerWaalsContact O-N 3.12Å; D161-G163 PolarHBondContact OD1-N 2.89Å; D161-R164 HydrophobicContact CB-CB 4.17Å; D161-R164 CarbonylContact O-C 3.34Å; D161-R164 VanDerWaalsContact O-C 3.27Å; D161-R164 WeakPolarHBondContact O-CA 3.37Å; D161-R164 PolarHBondContact O-N 3.01Å; D161-R164 VanDerWaalsContact O-O 3.12Å; D161-R164 IonicContact OD2-CZ 2.72Å; D161-R164 IonicContact OD2-NE 2.71Å; D161-R164 PolarHBondContact OD2-NE 2.85Å; D161-R164 IonicContact OD2-NH2 2.72Å; D161-R164 PolarHBondContact OD2-NH2 3.38Å
162	P	81.1	Confident	94.7	Very high	126 Å²	126	46.4 Å²	46.4	82%	0.818	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.8	-179.9	-25.9	35.5	0	0	0	114.7	R164	P162-R164 PolarHBondContact O-N 3.21Å
163	G	87.6	Confident	94.7	Very high	64 Å²	64	48.9 Å²	48.9	66%	0.66	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-4	173	0	0	0	0	0	114.2	D161	D161-G163 PolarHBondContact O-N 3.38Å; D161-G163 VanDerWaalsContact O-N 3.12Å; D161-G163 PolarHBondContact OD1-N 2.89Å
164	R	91	Very high	94.7	Very high	108 Å²	108	48.9 Å²	48.9	41%	0.408	27%	0.27	S	S	.	.			trans	-146.9	78.8	-171.3	-79.6	-172	-62.4	139.9	4	111.7	D161 P162 E166 R167	D161-R164 HydrophobicContact CB-CB 4.17Å; D161-R164 CarbonylContact O-C 3.34Å; D161-R164 VanDerWaalsContact O-C 3.27Å; D161-R164 WeakPolarHBondContact O-CA 3.37Å; D161-R164 PolarHBondContact O-N 3.01Å; D161-R164 VanDerWaalsContact O-O 3.12Å; D161-R164 IonicContact OD2-CZ 2.72Å; D161-R164 IonicContact OD2-NE 2.71Å; D161-R164 PolarHBondContact OD2-NE 2.85Å; D161-R164 IonicContact OD2-NH2 2.72Å; D161-R164 PolarHBondContact OD2-NH2 3.38Å; P162-R164 PolarHBondContact O-N 3.21Å; R164-E166 VanDerWaalsContact CA-OE2 3.22Å; R164-E166 WeakPolarHBondContact CA-OE2 3.43Å; R164-E166 WeakPolarHBondContact CB-OE1 3.01Å; R164-E166 WeakPolarHBondContact CB-OE2 3.25Å; R164-E166 WeakPolarHBondContact CD-OE1 3.44Å; R164-E166 PolarHBondContact O-N 2.93Å; R164-E166 VanDerWaalsContact O-N 3.09Å; R164-R167 HydrophobicContact CB-CG 3.98Å; R164-R167 WeakPolarHBondContact O-CB 3.4Å; R164-R167 PolarHBondContact O-N 2.74Å
165	P	91.9	Very high	94.7	Very high	96 Å²	96	48.9 Å²	48.9	62%	0.623	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.7	-176	-26.6	35.9	0	0	0	114.6	R167 L168 V169	P165-R167 PolarHBondContact O-N 2.74Å; P165-L168 WeakPolarHBondContact O-CB 3.18Å; P165-L168 PolarHBondContact O-N 3Å; P165-V169 PolarHBondContact O-N 3.29Å
166	E	94.2	Very high	94.7	Very high	104 Å²	104	53.3 Å²	53.3	49%	0.486	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-23.4	175.8	81.3	-68	169.2	0	0	112.6	R164 V169 F170	R164-E166 VanDerWaalsContact CA-OE2 3.22Å; R164-E166 WeakPolarHBondContact CA-OE2 3.43Å; R164-E166 WeakPolarHBondContact CB-OE1 3.01Å; R164-E166 WeakPolarHBondContact CB-OE2 3.25Å; R164-E166 WeakPolarHBondContact CD-OE1 3.44Å; R164-E166 PolarHBondContact O-N 2.93Å; R164-E166 VanDerWaalsContact O-N 3.09Å; E166-V169 PolarHBondContact O-N 2.94Å; E166-F170 WeakPolarHBondContact O-CB 3.11Å; E166-F170 PolarHBondContact O-N 3.34Å
167	R	95	Very high	94.7	Very high	23 Å²	23	52.5 Å²	52.5	9%	0.087	28%	0.284	C	S	.	.	H	α-helix	trans	-72.9	-27.2	173.8	-62.1	-52	-57.5	-171.6	-8.2	113.6	Y79 E130 R164 P165 K171	Y79-R167 PolarHBondContact OH-NH2 2.96Å; E130-R167 IonicContact OE1-CZ 3.42Å; E130-R167 IonicContact OE1-NH1 3.05Å; E130-R167 PolarHBondContact OE1-NH1 3.07Å; E130-R167 IonicContact OE1-NH2 2.8Å; E130-R167 PolarHBondContact OE1-NH2 3.22Å; E130-R167 VanDerWaalsContact OE1-NH2 3.12Å; E130-R167 IonicContact OE2-CZ 2.7Å; E130-R167 IonicContact OE2-NH1 2.83Å; E130-R167 IonicContact OE2-NH2 3.18Å; E130-R167 PolarHBondContact OE2-NH2 3.36Å; R164-R167 HydrophobicContact CB-CG 3.98Å; R164-R167 WeakPolarHBondContact O-CB 3.4Å; R164-R167 PolarHBondContact O-N 2.74Å; P165-R167 PolarHBondContact O-N 2.74Å; R167-K171 VanDerWaalsContact O-CB 3.27Å; R167-K171 WeakPolarHBondContact O-CB 3.22Å; R167-K171 PolarHBondContact O-N 2.87Å
168	L	95.5	Very high	94.7	Very high	65 Å²	65	52.5 Å²	52.5	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-70.3	-43.4	171.2	-179.7	59	0	0	0	110.4	A160 P165 F170 K171 M172	A160-L168 HydrophobicContact CB-CB 4.13Å; A160-L168 HydrophobicContact CB-CD1 3.93Å; P165-L168 WeakPolarHBondContact O-CB 3.18Å; P165-L168 PolarHBondContact O-N 3Å; L168-F170 PolarHBondContact O-N 2.91Å; L168-K171 WeakPolarHBondContact O-CB 3.41Å; L168-K171 PolarHBondContact O-N 3.47Å; L168-M172 HydrophobicContact CD1-CG 4.36Å; L168-M172 WeakPolarHBondContact O-CG 3.4Å; L168-M172 PolarHBondContact O-N 2.96Å
169	V	97	Very high	94.7	Very high	95 Å²	95	53.3 Å²	53.3	58%	0.576	29%	0.288	S	S	*	.	H	α-helix	trans	-59	-49.7	174.3	-175.9	0	0	0	0	110.4	P165 E166 K171 M172 R173	P165-V169 PolarHBondContact O-N 3.29Å; E166-V169 PolarHBondContact O-N 2.94Å; V169-K171 VanDerWaalsContact C-N 3.34Å; V169-K171 PolarHBondContact O-N 2.89Å; V169-M172 PolarHBondContact O-N 2.79Å; V169-R173 HydrophobicContact CG1-CG 4.39Å; V169-R173 WeakPolarHBondContact O-CG 3.49Å; V169-R173 PolarHBondContact O-N 2.87Å
170	F	97.6	Very high	94.9	Very high	35 Å²	35	49 Å²	49	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-39.4	176.9	-170.6	-91	0	0	0	112.8	L127 E130 P158 E166 L168 F174	L127-F170 HydrophobicContact CD2-CD2 3.97Å; L127-F170 HydrophobicContact CD2-CE1 4.38Å; L127-F170 HydrophobicContact CD2-CE2 3.82Å; L127-F170 HydrophobicContact CD2-CG 4.34Å; L127-F170 HydrophobicContact CD2-CZ 4.04Å; L127-F170 HydrophobicContact CG-CE2 4.42Å; E130-F170 HydrophobicContact CG-CE1 4.46Å; E130-F170 HydrophobicContact CG-CZ 4.08Å; P158-F170 HydrophobicContact CB-CD1 3.78Å; P158-F170 HydrophobicContact CB-CE1 4.2Å; P158-F170 HydrophobicContact CG-CD1 3.55Å; P158-F170 HydrophobicContact CG-CE1 3.68Å; E166-F170 WeakPolarHBondContact O-CB 3.11Å; E166-F170 PolarHBondContact O-N 3.34Å; L168-F170 PolarHBondContact O-N 2.91Å; F170-F174 WeakPolarHBondContact O-CB 3.36Å; F170-F174 PolarHBondContact O-N 3.11Å
171	K	98.3	Very high	95.3	Very high	11 Å²	11	47.8 Å²	47.8	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-49.2	172.9	179.6	-179.3	179.9	-172.6	0	111.5	P158 A160 R167 L168 V169 F174 Y175 N199 T200	P158-K171 HydrophobicContact CB-CB 4.1Å; P158-K171 VanDerWaalsContact O-CD 3.28Å; P158-K171 WeakPolarHBondContact O-CD 3.34Å; P158-K171 VanDerWaalsContact O-CG 3.25Å; P158-K171 WeakPolarHBondContact O-CG 3.44Å; A160-K171 HydrophobicContact CB-CD 3.87Å; R167-K171 VanDerWaalsContact O-CB 3.27Å; R167-K171 WeakPolarHBondContact O-CB 3.22Å; R167-K171 PolarHBondContact O-N 2.87Å; L168-K171 WeakPolarHBondContact O-CB 3.41Å; L168-K171 PolarHBondContact O-N 3.47Å; V169-K171 VanDerWaalsContact C-N 3.34Å; V169-K171 PolarHBondContact O-N 2.89Å; K171-F174 PolarHBondContact O-N 2.67Å; K171-Y175 HydrophobicContact CD-CE2 4.25Å; K171-Y175 VanDerWaalsContact CE-CE2 3.48Å; K171-Y175 VanDerWaalsContact CE-CZ 3.43Å; K171-Y175 WeakPolarHBondContact CE-OH 3.35Å; K171-Y175 HydrophobicContact CG-CD2 4.29Å; K171-Y175 HydrophobicContact CG-CE2 3.89Å; K171-Y175 PolarHBondContact O-N 3.04Å; K171-N199 PolarHBondContact NZ-O 2.96Å; K171-T200 WeakPolarHBondContact CE-OG1 3.39Å; K171-T200 PolarHBondContact NZ-OG1 3.22Å
172	M	98.2	Very high	95.9	Very high	49 Å²	49	45.3 Å²	45.3	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-35.8	-177.8	-62.9	-45.2	-60.2	0	0	113.1	L168 V169 Y175 R176 P220 W224	L168-M172 HydrophobicContact CD1-CG 4.36Å; L168-M172 WeakPolarHBondContact O-CG 3.4Å; L168-M172 PolarHBondContact O-N 2.96Å; V169-M172 PolarHBondContact O-N 2.79Å; M172-Y175 HydrophobicContact CE-CD2 3.89Å; M172-Y175 PolarHBondContact O-N 3.35Å; M172-Y175 HydrophobicContact SD-CD2 3.72Å; M172-Y175 HydrophobicContact SD-CE2 4.09Å; M172-R176 PolarHBondContact O-N 3.37Å; M172-P220 HydrophobicContact CE-CB 3.89Å; M172-P220 WeakPolarHBondContact CE-O 3.5Å; M172-P220 HydrophobicContact CG-CB 4.13Å; M172-P220 HydrophobicContact SD-CB 3.71Å; M172-W224 HydrophobicContact CE-CB 3.9Å
173	R	98.6	Very high	96.7	Very high	52 Å²	52	42.3 Å²	42.3	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-36.7	174.1	-62.8	-64.7	-69.4	158.5	-5.5	112	E118 F119 E123 L127 V169 R176 L177	E118-R173 PolarHBondContact O-NH2 2.91Å; E118-R173 IonicContact OE1-CZ 3.6Å; E118-R173 IonicContact OE1-NH1 3.44Å; E118-R173 PolarHBondContact OE1-NH1 3.4Å; F119-R173 HydrophobicContact CE1-CB 4.37Å; E123-R173 VanDerWaalsContact OE1-CG 3.31Å; E123-R173 WeakPolarHBondContact OE1-CG 3.41Å; E123-R173 IonicContact OE1-CZ 3.74Å; E123-R173 IonicContact OE1-NE 3.25Å; E123-R173 PolarHBondContact OE1-NE 3.2Å; E123-R173 IonicContact OE1-NH2 2.92Å; E123-R173 IonicContact OE2-CZ 2.68Å; E123-R173 IonicContact OE2-NE 2.77Å; E123-R173 IonicContact OE2-NH2 2.99Å; E123-R173 PolarHBondContact OE2-NH2 2.68Å; L127-R173 HydrophobicContact CD1-CB 4.34Å; L127-R173 HydrophobicContact CD2-CB 4.22Å; V169-R173 HydrophobicContact CG1-CG 4.39Å; V169-R173 WeakPolarHBondContact O-CG 3.49Å; V169-R173 PolarHBondContact O-N 2.87Å; R173-R176 PolarHBondContact O-N 2.79Å; R173-L177 WeakPolarHBondContact O-CB 3.24Å; R173-L177 PolarHBondContact O-N 2.99Å
174	F	98.8	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-44.4	171.3	-171.4	-89.2	0	0	0	112.4	L99 L127 R132 A133 C157 P158 F170 K171 R176 L177 L178	L99-F174 HydrophobicContact CD1-CD2 4.4Å; L99-F174 HydrophobicContact CD1-CE1 4.27Å; L99-F174 HydrophobicContact CD1-CE2 3.88Å; L99-F174 HydrophobicContact CD1-CZ 3.82Å; L127-F174 HydrophobicContact CD2-CB 3.92Å; L127-F174 HydrophobicContact CD2-CD2 4.38Å; R132-F174 HydrophobicContact CB-CE2 3.57Å; R132-F174 HydrophobicContact CB-CZ 3.61Å; R132-F174 HydrophobicContact CG-CE2 4.45Å; A133-F174 HydrophobicContact CB-CZ 4.32Å; C157-F174 HydrophobicContact CB-CD1 4.45Å; C157-F174 HydrophobicContact CB-CE1 4.42Å; P158-F174 VanDerWaalsContact CD-CD1 3.47Å; P158-F174 HydrophobicContact CG-CB 3.75Å; P158-F174 HydrophobicContact CG-CD1 4.28Å; P158-F174 HydrophobicContact CG-CD2 4.34Å; P158-F174 HydrophobicContact CG-CG 3.87Å; F170-F174 WeakPolarHBondContact O-CB 3.36Å; F170-F174 PolarHBondContact O-N 3.11Å; K171-F174 PolarHBondContact O-N 2.67Å; F174-R176 PolarHBondContact O-N 2.88Å; F174-L177 PolarHBondContact O-N 3.09Å; F174-L178 WeakPolarHBondContact O-CB 3.29Å; F174-L178 PolarHBondContact O-N 2.65Å
175	Y	98.7	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-43.5	174.4	-78.1	-19.9	0	0	0	113.2	C157 K171 M172 L178 Q179 L198 T200 W224	C157-Y175 HydrophobicContact CB-CD1 4.48Å; C157-Y175 HydrophobicContact CB-CE1 3.79Å; K171-Y175 HydrophobicContact CD-CE2 4.25Å; K171-Y175 VanDerWaalsContact CE-CE2 3.48Å; K171-Y175 VanDerWaalsContact CE-CZ 3.43Å; K171-Y175 WeakPolarHBondContact CE-OH 3.35Å; K171-Y175 HydrophobicContact CG-CD2 4.29Å; K171-Y175 HydrophobicContact CG-CE2 3.89Å; K171-Y175 PolarHBondContact O-N 3.04Å; M172-Y175 HydrophobicContact CE-CD2 3.89Å; M172-Y175 PolarHBondContact O-N 3.35Å; M172-Y175 HydrophobicContact SD-CD2 3.72Å; M172-Y175 HydrophobicContact SD-CE2 4.09Å; Y175-L178 PolarHBondContact O-N 2.76Å; Y175-Q179 WeakPolarHBondContact O-CB 3.36Å; Y175-Q179 PolarHBondContact O-N 2.85Å; Y175-L198 PolarHBondContact OH-O 3.46Å; Y175-T200 WeakPolarHBondContact OH-CB 3.39Å; Y175-T200 PolarHBondContact OH-OG1 2.9Å; Y175-W224 HydrophobicContact CD1-CD2 4.18Å; Y175-W224 AromaticContact CD1-CE3 3.79Å; Y175-W224 HydrophobicContact CD1-CE3 3.79Å; Y175-W224 AromaticContact CD1-CH2 3.64Å; Y175-W224 HydrophobicContact CD1-CH2 3.64Å; Y175-W224 HydrophobicContact CD1-CZ2 4.03Å; Y175-W224 AromaticContact CD1-CZ3 3.52Å; Y175-W224 HydrophobicContact CD1-CZ3 3.52Å; Y175-W224 HydrophobicContact CD2-CB 4.31Å; Y175-W224 AromaticContact CD2-CD2 3.71Å; Y175-W224 HydrophobicContact CD2-CD2 3.71Å; Y175-W224 AromaticContact CD2-CE3 3.52Å; Y175-W224 HydrophobicContact CD2-CE3 3.52Å; Y175-W224 HydrophobicContact CD2-CG 4.05Å; Y175-W224 HydrophobicContact CD2-CZ3 4.12Å; Y175-W224 AromaticContact CE1-CE3 3.9Å; Y175-W224 HydrophobicContact CE1-CE3 3.9Å; Y175-W224 AromaticContact CE1-CH2 3.96Å; Y175-W224 HydrophobicContact CE1-CH2 3.96Å; Y175-W224 AromaticContact CE1-CZ3 3.48Å; Y175-W224 HydrophobicContact CE1-CZ3 3.48Å; Y175-W224 VanDerWaalsContact CE1-CZ3 3.48Å; Y175-W224 HydrophobicContact CE2-CD2 4.29Å; Y175-W224 AromaticContact CE2-CE3 3.64Å; Y175-W224 HydrophobicContact CE2-CE3 3.64Å; Y175-W224 HydrophobicContact CE2-CZ3 4.09Å; Y175-W224 AromaticContact CG-CD2 3.63Å; Y175-W224 HydrophobicContact CG-CD2 3.63Å; Y175-W224 AromaticContact CG-CE2 3.91Å; Y175-W224 AromaticContact CG-CE3 3.59Å; Y175-W224 HydrophobicContact CG-CE3 3.59Å; Y175-W224 HydrophobicContact CG-CG 4.23Å; Y175-W224 HydrophobicContact CG-CH2 4.1Å; Y175-W224 HydrophobicContact CG-CZ2 4.13Å; Y175-W224 AromaticContact CG-CZ3 3.85Å; Y175-W224 HydrophobicContact CG-CZ3 3.85Å; Y175-W224 AromaticContact CZ-CE3 3.8Å; Y175-W224 AromaticContact CZ-CZ3 3.75Å; Y175-W224 PolarHBondContact O-NE1 3.25Å
176	R	98.4	Very high	97.8	Very high	93 Å²	93	32.9 Å²	32.9	35%	0.351	16%	0.159	S	C	.	.	H	α-helix	trans	-62.4	-44	177	-178.6	55.2	177.7	158.4	6.5	111.6	E118 F119 M172 R173 F174 Q179 I180	E118-R176 VanDerWaalsContact OE1-CG 3.23Å; E118-R176 WeakPolarHBondContact OE1-CG 3.5Å; E118-R176 IonicContact OE1-NE 2.71Å; E118-R176 PolarHBondContact OE1-NE 2.69Å; E118-R176 IonicContact OE2-CZ 3.64Å; E118-R176 IonicContact OE2-NE 3.64Å; E118-R176 PolarHBondContact OE2-NE 2.69Å; E118-R176 IonicContact OE2-NH2 3.88Å; E118-R176 PolarHBondContact OE2-NH2 2.88Å; F119-R176 HydrophobicContact CE2-CG 4.36Å; F119-R176 HydrophobicContact CZ-CB 4.16Å; F119-R176 HydrophobicContact CZ-CG 3.95Å; M172-R176 PolarHBondContact O-N 3.37Å; R173-R176 PolarHBondContact O-N 2.79Å; F174-R176 PolarHBondContact O-N 2.88Å; R176-Q179 PolarHBondContact O-N 3.25Å; R176-I180 HydrophobicContact CG-CD1 4.08Å; R176-I180 WeakPolarHBondContact O-CD1 3.29Å; R176-I180 WeakPolarHBondContact O-CG1 3.4Å; R176-I180 PolarHBondContact O-N 3.2Å
177	L	98.7	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-42.2	175.6	-177.4	60.6	0	0	0	112.3	L99 M116 F119 L124 L127 R173 F174 R181	L99-L177 HydrophobicContact CB-CD1 4.45Å; L99-L177 HydrophobicContact CB-CD2 3.89Å; L99-L177 HydrophobicContact CB-CG 3.75Å; L99-L177 HydrophobicContact CD1-CB 4.39Å; L99-L177 HydrophobicContact CD1-CD2 4.18Å; L99-L177 HydrophobicContact CD1-CG 4Å; M116-L177 HydrophobicContact CE-CD1 3.41Å; M116-L177 VanDerWaalsContact CE-CD1 3.41Å; M116-L177 HydrophobicContact CG-CD1 4.31Å; M116-L177 HydrophobicContact SD-CD1 3.55Å; M116-L177 VanDerWaalsContact SD-CD1 3.55Å; F119-L177 HydrophobicContact CE1-CB 4.06Å; F119-L177 HydrophobicContact CE2-CD1 4.37Å; F119-L177 HydrophobicContact CZ-CB 3.79Å; F119-L177 HydrophobicContact CZ-CD1 4.39Å; L124-L177 HydrophobicContact CD2-CD1 3.61Å; L124-L177 HydrophobicContact CD2-CD2 3.97Å; L124-L177 HydrophobicContact CD2-CG 4.44Å; L127-L177 HydrophobicContact CB-CD2 4.01Å; L127-L177 HydrophobicContact CD1-CB 4.4Å; L127-L177 HydrophobicContact CD1-CD2 3.76Å; R173-L177 WeakPolarHBondContact O-CB 3.24Å; R173-L177 PolarHBondContact O-N 2.99Å; F174-L177 PolarHBondContact O-N 3.09Å; L177-R181 WeakPolarHBondContact O-CB 3.26Å; L177-R181 PolarHBondContact O-N 3.47Å
178	L	98.8	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-44.6	176.3	173.2	58.7	0	0	0	111.7	L99 I153 V155 F174 Y175 R181 A182 I194 W224	L99-L178 HydrophobicContact CD1-CB 3.95Å; L99-L178 HydrophobicContact CD2-CD1 3.93Å; I153-L178 HydrophobicContact CG2-CD1 3.93Å; V155-L178 HydrophobicContact CG1-CD1 3.78Å; V155-L178 HydrophobicContact CG1-CD2 4.13Å; F174-L178 WeakPolarHBondContact O-CB 3.29Å; F174-L178 PolarHBondContact O-N 2.65Å; Y175-L178 PolarHBondContact O-N 2.76Å; L178-R181 PolarHBondContact O-N 3.18Å; L178-A182 VanDerWaalsContact O-CB 3.3Å; L178-A182 WeakPolarHBondContact O-CB 3.19Å; L178-A182 PolarHBondContact O-N 3.1Å; L178-I194 HydrophobicContact CD1-CG2 4.34Å; L178-I194 HydrophobicContact CD2-CG2 4.24Å; L178-W224 HydrophobicContact CD2-CH2 4.18Å; L178-W224 HydrophobicContact CD2-CZ2 4.33Å
179	Q	98.4	Very high	98.2	Very high	18 Å²	18	34 Å²	34	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-51.5	177.6	-179.9	175.7	5.4	0	0	111.5	Y175 R176 R181 A182 E183 L228	Y175-Q179 WeakPolarHBondContact O-CB 3.36Å; Y175-Q179 PolarHBondContact O-N 2.85Å; R176-Q179 PolarHBondContact O-N 3.25Å; Q179-R181 VanDerWaalsContact C-N 3.29Å; Q179-R181 PolarHBondContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 3Å; Q179-A182 VanDerWaalsContact O-N 3.17Å; Q179-E183 VanDerWaalsContact CG-CD 3.48Å; Q179-E183 HydrophobicContact CG-CG 4.25Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.43Å; Q179-E183 PolarHBondContact NE2-OE1 3.06Å; Q179-E183 WeakPolarHBondContact O-CB 3.36Å; Q179-E183 WeakPolarHBondContact O-CG 3.28Å; Q179-E183 PolarHBondContact O-N 2.9Å; Q179-L228 HydrophobicContact CB-CD1 4.46Å; Q179-L228 HydrophobicContact CG-CD1 4.05Å
180	I	98.4	Very high	98.2	Very high	13 Å²	13	29.9 Å²	29.9	7%	0.067	18%	0.182	C	C	.	.	H	α-helix	trans	-53.6	-47.4	177.4	-74	162.6	0	0	0	111.1	N115 M116 F119 R176 A184	N115-I180 VanDerWaalsContact O-CG2 3.22Å; N115-I180 WeakPolarHBondContact O-CG2 3.31Å; M116-I180 HydrophobicContact CE-CG2 4.42Å; M116-I180 HydrophobicContact CG-CG2 4.23Å; F119-I180 HydrophobicContact CE2-CD1 3.75Å; F119-I180 HydrophobicContact CZ-CD1 4.48Å; R176-I180 HydrophobicContact CG-CD1 4.08Å; R176-I180 WeakPolarHBondContact O-CD1 3.29Å; R176-I180 WeakPolarHBondContact O-CG1 3.4Å; R176-I180 PolarHBondContact O-N 3.2Å; I180-A184 VanDerWaalsContact O-CB 3.23Å; I180-A184 WeakPolarHBondContact O-CB 3.34Å; I180-A184 PolarHBondContact O-N 2.99Å
181	R	98.6	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-46.1	178.5	175.8	54.7	156.8	-147.4	-21.1	112.3	E96 L99 G111 C112 L135 L177 L178 Q179 A184 L185	E96-R181 IonicContact OE1-CZ 3.94Å; E96-R181 IonicContact OE1-NH2 2.68Å; E96-R181 PolarHBondContact OE1-NH2 3.17Å; E96-R181 IonicContact OE2-NH2 3.59Å; E96-R181 PolarHBondContact OE2-NH2 2.92Å; L99-R181 HydrophobicContact CB-CB 4.46Å; L99-R181 HydrophobicContact CB-CG 4.45Å; L99-R181 HydrophobicContact CD2-CB 4.29Å; L99-R181 HydrophobicContact CD2-CG 3.97Å; G111-R181 VanDerWaalsContact O-CZ 3.32Å; G111-R181 PolarHBondContact O-NH1 3.32Å; C112-R181 WeakPolarHBondContact O-CD 3.24Å; C112-R181 PolarHBondContact O-NH1 2.91Å; L135-R181 HydrophobicContact CD2-CG 4.4Å; L135-R181 VanDerWaalsContact CD2-NE 3.34Å; L177-R181 WeakPolarHBondContact O-CB 3.26Å; L177-R181 PolarHBondContact O-N 3.47Å; L178-R181 PolarHBondContact O-N 3.18Å; Q179-R181 VanDerWaalsContact C-N 3.29Å; Q179-R181 PolarHBondContact O-N 3.1Å; R181-A184 PolarHBondContact O-N 3.15Å; R181-L185 HydrophobicContact CG-CD1 4.17Å; R181-L185 WeakPolarHBondContact O-CD1 3.42Å; R181-L185 WeakPolarHBondContact O-CG 3.44Å; R181-L185 PolarHBondContact O-N 3.37Å; R181-L185 VanDerWaalsContact O-N 3.13Å
182	A	98.6	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-40.9	-178.8	0	0	0	0	0	112.5	I153 L178 Q179 L185 L186 V192 I194 F243	I153-A182 HydrophobicContact CD1-CB 3.93Å; L178-A182 VanDerWaalsContact O-CB 3.3Å; L178-A182 WeakPolarHBondContact O-CB 3.19Å; L178-A182 PolarHBondContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 3Å; Q179-A182 VanDerWaalsContact O-N 3.17Å; A182-L185 PolarHBondContact O-N 2.87Å; A182-L186 PolarHBondContact O-N 3.13Å; A182-L186 VanDerWaalsContact O-N 3.08Å; A182-V192 HydrophobicContact CB-CG1 4.33Å; A182-I194 HydrophobicContact CB-CD1 3.79Å; A182-I194 HydrophobicContact CB-CG1 4.28Å; A182-F243 HydrophobicContact CB-CE2 4.01Å; A182-F243 HydrophobicContact CB-CZ 3.76Å
183	E	98	Very high	98.3	Very high	62 Å²	62	26.8 Å²	26.8	29%	0.29	17%	0.167	S	C	.	.	H	α-helix	trans	-67.5	-38.6	175.9	-71.6	172.3	179.5	0	0	111.7	Q179 L185 L186 A187 P242	Q179-E183 VanDerWaalsContact CG-CD 3.48Å; Q179-E183 HydrophobicContact CG-CG 4.25Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.43Å; Q179-E183 PolarHBondContact NE2-OE1 3.06Å; Q179-E183 WeakPolarHBondContact O-CB 3.36Å; Q179-E183 WeakPolarHBondContact O-CG 3.28Å; Q179-E183 PolarHBondContact O-N 2.9Å; E183-L185 PolarHBondContact O-N 2.91Å; E183-L186 PolarHBondContact O-N 3.39Å; E183-A187 VanDerWaalsContact O-CB 3.32Å; E183-A187 WeakPolarHBondContact O-CB 3.24Å; E183-A187 PolarHBondContact O-N 2.8Å; E183-P242 HydrophobicContact CG-CG 4.2Å
184	A	98.5	Very high	98.4	Very high	19 Å²	19	24.3 Å²	24.3	16%	0.157	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-36.4	175.3	0	0	0	0	0	113.2	G114 I180 R181 A188	G114-A184 VanDerWaalsContact CA-CB 3.5Å; I180-A184 VanDerWaalsContact O-CB 3.23Å; I180-A184 WeakPolarHBondContact O-CB 3.34Å; I180-A184 PolarHBondContact O-N 2.99Å; R181-A184 PolarHBondContact O-N 3.15Å; A184-A188 WeakPolarHBondContact O-CB 3.43Å; A184-A188 PolarHBondContact O-N 2.91Å; A184-A188 VanDerWaalsContact O-N 3.11Å
185	L	98.6	Very high	98.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-68.1	-40.4	173.8	-74.3	160.5	0	0	0	111.9	V110 C112 L135 T151 I153 R181 A182 E183 A188 S190 V192	V110-L185 HydrophobicContact CG1-CD2 3.68Å; C112-L185 HydrophobicContact CB-CD2 3.76Å; C112-L185 HydrophobicContact CB-CG 4.14Å; L135-L185 HydrophobicContact CD2-CD1 3.72Å; T151-L185 HydrophobicContact CG2-CD1 3.97Å; T151-L185 HydrophobicContact CG2-CD2 4.37Å; I153-L185 HydrophobicContact CD1-CD1 3.86Å; I153-L185 HydrophobicContact CG1-CD1 4.47Å; R181-L185 HydrophobicContact CG-CD1 4.17Å; R181-L185 WeakPolarHBondContact O-CD1 3.42Å; R181-L185 WeakPolarHBondContact O-CG 3.44Å; R181-L185 PolarHBondContact O-N 3.37Å; R181-L185 VanDerWaalsContact O-N 3.13Å; A182-L185 PolarHBondContact O-N 2.87Å; E183-L185 PolarHBondContact O-N 2.91Å; L185-A188 PolarHBondContact O-N 2.98Å; L185-S190 WeakPolarHBondContact O-CB 3.3Å; L185-S190 PolarHBondContact O-N 2.84Å; L185-S190 VanDerWaalsContact O-N 3.16Å; L185-V192 HydrophobicContact CB-CG2 3.72Å
186	L	97.5	Very high	98.4	Very high	51 Å²	51	24.3 Å²	24.3	27%	0.267	16%	0.158	S	C	.	.	H	α-helix	trans	-67.3	-42.7	176.4	-174.7	60.3	0	0	0	111.7	A182 E183 A188 G189 S190 V192 P242 D282	A182-L186 PolarHBondContact O-N 3.13Å; A182-L186 VanDerWaalsContact O-N 3.08Å; E183-L186 PolarHBondContact O-N 3.39Å; L186-A188 PolarHBondContact O-N 2.97Å; L186-G189 PolarHBondContact O-N 3.16Å; L186-S190 WeakPolarHBondContact CA-O 3.39Å; L186-V192 HydrophobicContact CB-CG2 4.24Å; L186-P242 HydrophobicContact CD2-CB 3.87Å; L186-D282 HydrophobicContact CD1-CB 3.71Å; L186-D282 HydrophobicContact CD2-CB 4.21Å
187	A	97.7	Very high	98.4	Very high	91 Å²	91	20 Å²	20	75%	0.752	14%	0.142	S	C	*	.	H	α-helix	trans	-63.8	-27.3	174.7	0	0	0	0	0	113.1	E183 G189	E183-A187 VanDerWaalsContact O-CB 3.32Å; E183-A187 WeakPolarHBondContact O-CB 3.24Å; E183-A187 PolarHBondContact O-N 2.8Å; A187-G189 PolarHBondContact O-N 3.24Å
188	A	97.8	Very high	98.4	Very high	65 Å²	65	20 Å²	20	54%	0.537	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	2	171.8	0	0	0	0	0	114	C112 A184 L185 L186	C112-A188 HydrophobicContact CB-CB 4.42Å; C112-A188 WeakPolarHBondContact SG-CB 3.2Å; A184-A188 WeakPolarHBondContact O-CB 3.43Å; A184-A188 PolarHBondContact O-N 2.91Å; A184-A188 VanDerWaalsContact O-N 3.11Å; L185-A188 PolarHBondContact O-N 2.98Å; L186-A188 PolarHBondContact O-N 2.97Å
189	G	96.8	Very high	98.3	Very high	59 Å²	59	20.9 Å²	20.9	61%	0.608	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	13.4	178.3	0	0	0	0	0	115	L186 A187	L186-G189 PolarHBondContact O-N 3.16Å; A187-G189 PolarHBondContact O-N 3.24Å
190	S	98.1	Very high	98.3	Very high	8 Å²	8	20.2 Å²	20.2	6%	0.056	14%	0.144	C	C	.	.			trans	-79.9	138.7	165.9	-173.6	0	0	0	0	109.3	T151 L185 L186	T151-S190 PolarHBondContact N-OG 2.6Å; T151-S190 PolarHBondContact OG1-OG 2.94Å; L185-S190 WeakPolarHBondContact O-CB 3.3Å; L185-S190 PolarHBondContact O-N 2.84Å; L185-S190 VanDerWaalsContact O-N 3.16Å; L186-S190 WeakPolarHBondContact CA-O 3.39Å
191	H	98.6	Very high	98.2	Very high	30 Å²	30	19.9 Å²	19.9	14%	0.139	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	150.3	155.1	-72.7	-67.3	0	0	0	109.3	I149 L150 T151 D282 L285	I149-H191 PolarHBondContact O-N 3.22Å; L150-H191 CarbonylContact C-O 3.53Å; L150-H191 WeakPolarHBondContact CA-O 3.42Å; L150-H191 HydrophobicContact CD1-CB 3.9Å; T151-H191 PolarHBondContact N-O 2.92Å; H191-D282 WeakPolarHBondContact CA-OD2 3.39Å; H191-D282 VanDerWaalsContact CB-OD2 3.23Å; H191-D282 WeakPolarHBondContact CB-OD2 3.25Å; H191-D282 IonicContact CE1-OD1 2.64Å; H191-D282 IonicContact CG-OD2 3.93Å; H191-D282 IonicContact ND1-OD1 2.79Å; H191-D282 PolarHBondContact ND1-OD1 3.1Å; H191-D282 IonicContact ND1-OD2 3.09Å; H191-D282 PolarHBondContact ND1-OD2 2.97Å; H191-D282 VanDerWaalsContact ND1-OD2 3.13Å; H191-L285 HydrophobicContact CB-CB 4.39Å; H191-L285 HydrophobicContact CB-CD1 3.97Å; H191-L285 HydrophobicContact CB-CD2 4.2Å; H191-L285 HydrophobicContact CB-CG 4.42Å
192	V	98.8	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130	-173.3	-177.5	0	0	0	0	110.3	T151 I153 A182 L185 L186 I194 F243 G281 D282	T151-V192 WeakPolarHBondContact O-CA 3.23Å; I153-V192 HydrophobicContact CD1-CG1 3.86Å; I153-V192 HydrophobicContact CG1-CG1 4.22Å; A182-V192 HydrophobicContact CB-CG1 4.33Å; L185-V192 HydrophobicContact CB-CG2 3.72Å; L186-V192 HydrophobicContact CB-CG2 4.24Å; V192-I194 HydrophobicContact CG1-CG1 4.42Å; V192-F243 HydrophobicContact CB-CE1 3.81Å; V192-F243 HydrophobicContact CB-CZ 4.06Å; V192-F243 HydrophobicContact CG1-CE1 3.75Å; V192-F243 HydrophobicContact CG1-CZ 3.9Å; V192-G281 CarbonylContact O-C 3.51Å; V192-G281 WeakPolarHBondContact O-CA 2.97Å; V192-D282 PolarHBondContact N-OD2 3.17Å; V192-D282 PolarHBondContact O-N 2.97Å
193	I	98.9	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.8	166.1	-65.8	172.8	0	0	0	108.5	L150 T151 L152 I153 L195 V279 L280 L285 F290 L311	L150-I193 HydrophobicContact CD1-CD1 4.06Å; L150-I193 HydrophobicContact CD1-CG1 4.01Å; L150-I193 HydrophobicContact CD2-CD1 4.42Å; T151-I193 PolarHBondContact O-N 3.45Å; L152-I193 CarbonylContact C-O 3.47Å; L152-I193 WeakPolarHBondContact CA-O 3.47Å; L152-I193 HydrophobicContact CD1-CB 4.34Å; L152-I193 HydrophobicContact CD1-CD1 4.26Å; L152-I193 HydrophobicContact CG-CB 4.27Å; I153-I193 PolarHBondContact N-O 3.19Å; I193-L195 HydrophobicContact CG2-CB 4.1Å; I193-L195 HydrophobicContact CG2-CD2 4.04Å; I193-L195 HydrophobicContact CG2-CG 4.45Å; I193-V279 HydrophobicContact CG2-CG1 3.8Å; I193-L280 CarbonylContact C-O 3.47Å; I193-L280 WeakPolarHBondContact CA-O 3.47Å; I193-L280 WeakPolarHBondContact CG2-O 3.27Å; I193-L285 HydrophobicContact CD1-CD2 3.85Å; I193-L285 HydrophobicContact CG1-CD2 3.6Å; I193-F290 HydrophobicContact CD1-CE2 4.21Å; I193-F290 HydrophobicContact CD1-CZ 3.97Å; I193-F290 HydrophobicContact CG1-CZ 4.32Å; I193-L311 HydrophobicContact CD1-CD2 4.34Å
194	I	98.9	Very high	97.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.5	166.6	-53.2	170.4	0	0	0	106.6	I153 V155 L178 A182 V192 L198 L228 F243 L280	I153-I194 HydrophobicContact CD1-CG1 4.38Å; V155-I194 HydrophobicContact CG1-CG2 4.47Å; V155-I194 HydrophobicContact CG2-CG2 3.8Å; L178-I194 HydrophobicContact CD1-CG2 4.34Å; L178-I194 HydrophobicContact CD2-CG2 4.24Å; A182-I194 HydrophobicContact CB-CD1 3.79Å; A182-I194 HydrophobicContact CB-CG1 4.28Å; V192-I194 HydrophobicContact CG1-CG1 4.42Å; I194-L198 HydrophobicContact CG2-CD2 4.38Å; I194-L228 HydrophobicContact CD1-CD2 4.37Å; I194-F243 HydrophobicContact CD1-CD1 4.35Å; I194-F243 HydrophobicContact CD1-CD2 4.44Å; I194-F243 HydrophobicContact CD1-CE1 4.17Å; I194-F243 HydrophobicContact CD1-CE2 4.26Å; I194-F243 HydrophobicContact CD1-CZ 4.14Å; I194-F243 HydrophobicContact CG1-CE1 4.25Å; I194-L280 HydrophobicContact CB-CB 4.28Å; I194-L280 HydrophobicContact CB-CD1 4.47Å; I194-L280 PolarHBondContact N-O 3.24Å; I194-L280 PolarHBondContact O-N 3.33Å
195	L	98.9	Very high	97.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141.6	-178.6	74	173.5	0	0	0	113.7	C45 L152 I153 N154 V155 I193 Y278 V279	C45-L195 HydrophobicContact CB-CD1 4.04Å; C45-L195 HydrophobicContact CB-CG 4.04Å; L152-L195 HydrophobicContact CB-CD2 4.02Å; L152-L195 HydrophobicContact CD2-CD1 4.39Å; L152-L195 HydrophobicContact CD2-CD2 4.23Å; L152-L195 HydrophobicContact CG-CD2 3.99Å; I153-L195 PolarHBondContact O-N 3.18Å; N154-L195 WeakPolarHBondContact CA-O 3.14Å; V155-L195 PolarHBondContact N-O 3.48Å; I193-L195 HydrophobicContact CG2-CB 4.1Å; I193-L195 HydrophobicContact CG2-CD2 4.04Å; I193-L195 HydrophobicContact CG2-CG 4.45Å; L195-Y278 VanDerWaalsContact CA-O 3.28Å; L195-Y278 WeakPolarHBondContact CA-O 3.28Å; L195-V279 HydrophobicContact CB-CG2 4.23Å
196	G	98.8	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.4	-170.7	-178	0	0	0	0	0	114.2	S6 Q47 V155 L198 D277 Y278	S6-G196 VanDerWaalsContact OG-CA 3.24Å; S6-G196 WeakPolarHBondContact OG-CA 3.41Å; S6-G196 PolarHBondContact OG-N 2.98Å; Q47-G196 VanDerWaalsContact CD-CA 3.46Å; V155-G196 WeakPolarHBondContact O-CA 2.98Å; G196-L198 PolarHBondContact O-N 3.2Å; G196-D277 WeakPolarHBondContact O-CA 3.36Å; G196-Y278 PolarHBondContact N-O 2.76Å; G196-Y278 VanDerWaalsContact N-O 3.09Å; G196-Y278 PolarHBondContact O-N 3.46Å
197	D	98.8	Very high	97.1	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	104.9	179.5	175.5	9.2	0	0	0	110.3	N8 V155 Y156 C157 N199 H304	N8-D197 HydrophobicContact CB-CB 4.21Å; N8-D197 PolarHBondContact ND2-OD2 3.22Å; V155-D197 PolarHBondContact O-N 2.87Å; Y156-D197 HydrophobicContact CD2-CB 4.16Å; Y156-D197 WeakPolarHBondContact CE2-OD2 3.39Å; C157-D197 PolarHBondContact N-O 2.82Å; D197-N199 VanDerWaalsContact C-N 3.32Å; D197-N199 WeakPolarHBondContact OD1-CA 3.34Å; D197-N199 PolarHBondContact OD1-N 3.33Å; D197-N199 PolarHBondContact OD1-ND2 2.96Å; D197-N199 PolarHBondContact OD2-ND2 2.67Å; D197-H304 IonicContact OD2-CE1 2.7Å; D197-H304 PolarHBondContact OD2-CE1 2.78Å; D197-H304 IonicContact OD2-NE2 3.84Å
198	L	98.6	Very high	96.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.142	C	C	.	.			trans	-81.5	-8.4	177.1	-61.4	-174	0	0	0	112.8	V155 C157 Y175 I194 G196 T200 M225 L276 Y278 L280	V155-L198 HydrophobicContact CG2-CD2 3.66Å; C157-L198 WeakPolarHBondContact CB-O 3.37Å; Y175-L198 PolarHBondContact OH-O 3.46Å; I194-L198 HydrophobicContact CG2-CD2 4.38Å; G196-L198 PolarHBondContact O-N 3.2Å; L198-T200 PolarHBondContact O-N 2.64Å; L198-M225 HydrophobicContact CD1-CE 4.09Å; L198-L276 PolarHBondContact N-O 3.37Å; L198-Y278 HydrophobicContact CB-CD2 3.88Å; L198-Y278 HydrophobicContact CB-CE2 4.07Å; L198-Y278 HydrophobicContact CD1-CD2 3.52Å; L198-Y278 HydrophobicContact CD1-CE2 4.1Å; L198-Y278 HydrophobicContact CD1-CG 3.79Å; L198-Y278 HydrophobicContact CG-CD2 3.66Å; L198-Y278 HydrophobicContact CG-CE2 4.32Å; L198-Y278 HydrophobicContact CG-CG 4.29Å; L198-L280 HydrophobicContact CD1-CD1 3.83Å; L198-L280 HydrophobicContact CD1-CG 4.41Å
199	N	97.8	Very high	96	Very high	17 Å²	17	23.2 Å²	23.2	9%	0.091	13%	0.129	C	C	.	.	S	Bend	trans	54.9	28.6	-177.5	-95.1	-86.7	0	0	0	115.1	C157 H159 K171 D197	C157-N199 PolarHBondContact O-ND2 3.39Å; H159-N199 PolarHBondContact ND1-OD1 3.05Å; K171-N199 PolarHBondContact NZ-O 2.96Å; D197-N199 VanDerWaalsContact C-N 3.32Å; D197-N199 WeakPolarHBondContact OD1-CA 3.34Å; D197-N199 PolarHBondContact OD1-N 3.33Å; D197-N199 PolarHBondContact OD1-ND2 2.96Å; D197-N199 PolarHBondContact OD2-ND2 2.67Å
200	T	96.9	Very high	95.2	Very high	5 Å²	5	21 Å²	21	3%	0.031	11%	0.105	C	C	.	.			trans	-144.1	135.7	172.9	-64.8	0	0	0	0	110.2	K171 Y175 L198 R222 M225 Y278	K171-T200 WeakPolarHBondContact CE-OG1 3.39Å; K171-T200 PolarHBondContact NZ-OG1 3.22Å; Y175-T200 WeakPolarHBondContact OH-CB 3.39Å; Y175-T200 PolarHBondContact OH-OG1 2.9Å; L198-T200 PolarHBondContact O-N 2.64Å; T200-R222 HydrophobicContact CG2-CG 3.71Å; T200-M225 HydrophobicContact CG2-SD 3.69Å; T200-Y278 VanDerWaalsContact O-CE2 3.28Å; T200-Y278 WeakPolarHBondContact O-CE2 3.33Å; T200-Y278 PolarHBondContact O-OH 2.86Å
201	A	96.2	Very high	94	Very high	6 Å²	6	27.7 Å²	27.7	5%	0.05	15%	0.145	C	C	.	.			trans	-92.1	122.1	166.1	0	0	0	0	0	108.9	D206 H207 R222 R275 L276	A201-D206 HydrophobicContact CB-CB 3.99Å; A201-H207 HydrophobicContact CB-CB 4.2Å; A201-R222 WeakPolarHBondContact O-CD 3.48Å; A201-R222 VanDerWaalsContact O-CG 3.26Å; A201-R222 WeakPolarHBondContact O-CG 3.35Å; A201-R222 PolarHBondContact O-NH1 2.95Å; A201-R275 WeakPolarHBondContact CA-O 3.47Å; A201-L276 HydrophobicContact CB-CD2 4.27Å
202	H	95.2	Very high	92.6	Very high	11 Å²	11	29.7 Å²	29.7	5%	0.051	16%	0.162	C	C	.	.			trans	-73.2	-53.2	-167.8	-176	-151.1	0	0	0	113.8	R222 M225 D226 Y278	H202-R222 WeakPolarHBondContact O-CD 3.07Å; H202-R222 WeakPolarHBondContact O-CG 3.32Å; H202-M225 HydrophobicContact CB-CE 3.78Å; H202-M225 HydrophobicContact CB-SD 3.96Å; H202-D226 IonicContact CD2-OD1 3.85Å; H202-D226 IonicContact CE1-OD1 2.81Å; H202-D226 IonicContact NE2-OD1 3.79Å; H202-D226 PolarHBondContact NE2-OD1 2.94Å; H202-D226 IonicContact NE2-OD2 2.82Å; H202-Y278 PolarHBondContact N-OH 2.91Å; H202-Y278 VanDerWaalsContact N-OH 3.1Å
203	R	93.4	Very high	91.3	Very high	67 Å²	67	33.3 Å²	33.3	25%	0.253	18%	0.181	S	C	.	.	S	Bend	trans	-114.2	163.2	-177.2	-64.8	-60.7	-173.2	-135.8	-6.1	112	I205 D206 F216 D226 N231	R203-I205 HydrophobicContact CB-CG2 3.91Å; R203-I205 PolarHBondContact O-N 2.97Å; R203-D206 PolarHBondContact N-OD2 2.9Å; R203-D206 WeakPolarHBondContact O-CA 3.17Å; R203-D206 VanDerWaalsContact O-CB 3.24Å; R203-D206 WeakPolarHBondContact O-CB 3.4Å; R203-D206 PolarHBondContact O-N 3.38Å; R203-F216 WeakPolarHBondContact O-CZ 3.19Å; R203-D226 IonicContact CZ-OD1 3.52Å; R203-D226 IonicContact CZ-OD2 3.2Å; R203-D226 VanDerWaalsContact NH1-CG 3.26Å; R203-D226 IonicContact NH1-OD1 2.75Å; R203-D226 PolarHBondContact NH1-OD1 3.33Å; R203-D226 IonicContact NH1-OD2 2.71Å; R203-D226 PolarHBondContact NH1-OD2 3.42Å; R203-D226 IonicContact NH2-OD1 3.53Å; R203-D226 PolarHBondContact NH2-OD1 3.42Å; R203-N231 PolarHBondContact NH2-OD1 2.84Å
204	P	93.6	Very high	90	Very high	62 Å²	62	42.2 Å²	42.2	40%	0.403	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-54.2	-37.3	176.6	-30.2	37.6	0	0	0	113.8	D206 H207 A210 F216	P204-D206 PolarHBondContact O-N 3.16Å; P204-D206 VanDerWaalsContact O-N 3.09Å; P204-H207 PolarHBondContact O-N 3.34Å; P204-H207 VanDerWaalsContact O-N 3.14Å; P204-H207 VanDerWaalsContact O-O 3.11Å; P204-A210 HydrophobicContact CB-CB 3.72Å; P204-A210 VanDerWaalsContact O-CB 3.29Å; P204-A210 WeakPolarHBondContact O-CB 3.18Å; P204-F216 HydrophobicContact CG-CD1 4.02Å; P204-F216 HydrophobicContact CG-CE1 3.95Å
205	I	94.3	Very high	88.8	Confident	52 Å²	52	46.8 Å²	46.8	27%	0.267	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-62.3	-12.8	174.3	-167.5	168.7	0	0	0	114.2	R203 R248 E255	R203-I205 HydrophobicContact CB-CG2 3.91Å; R203-I205 PolarHBondContact O-N 2.97Å; I205-R248 PolarHBondContact O-NH2 3.47Å; I205-E255 HydrophobicContact CD1-CG 3.86Å; I205-E255 HydrophobicContact CG1-CG 4.07Å
206	D	96.4	Very high	88	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-93.6	3.2	178	-61.5	-39	0	0	0	113.4	A201 R203 P204 R248 S274 R275	A201-D206 HydrophobicContact CB-CB 3.99Å; R203-D206 PolarHBondContact N-OD2 2.9Å; R203-D206 WeakPolarHBondContact O-CA 3.17Å; R203-D206 VanDerWaalsContact O-CB 3.24Å; R203-D206 WeakPolarHBondContact O-CB 3.4Å; R203-D206 PolarHBondContact O-N 3.38Å; P204-D206 PolarHBondContact O-N 3.16Å; P204-D206 VanDerWaalsContact O-N 3.09Å; D206-R248 IonicContact OD1-CZ 3.13Å; D206-R248 VanDerWaalsContact OD1-CZ 3.29Å; D206-R248 IonicContact OD1-NE 2.74Å; D206-R248 PolarHBondContact OD1-NE 3.33Å; D206-R248 IonicContact OD1-NH2 3.71Å; D206-R248 PolarHBondContact OD1-NH2 2.86Å; D206-S274 CarbonylContact O-C 3.27Å; D206-S274 WeakPolarHBondContact O-CA 3.24Å; D206-R275 HydrophobicContact CB-CB 4Å; D206-R275 PolarHBondContact O-N 3.17Å; D206-R275 IonicContact OD1-CZ 3.57Å; D206-R275 VanDerWaalsContact OD1-CZ 3.31Å; D206-R275 IonicContact OD1-NE 2.97Å; D206-R275 PolarHBondContact OD1-NE 3.07Å; D206-R275 IonicContact OD1-NH2 3.8Å; D206-R275 PolarHBondContact OD1-NH2 3.11Å; D206-R275 IonicContact OD2-CZ 3.77Å; D206-R275 IonicContact OD2-NE 2.7Å; D206-R275 IonicContact OD2-NH2 3.8Å; D206-R275 PolarHBondContact OD2-NH2 3.12Å
207	H	94.4	Very high	87.1	Confident	37 Å²	37	54.1 Å²	54.1	17%	0.171	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-143.4	133.8	176.4	-177.8	55.1	0	0	0	113.2	A201 P204 D209 A210 F216 G273 S274	A201-H207 HydrophobicContact CB-CB 4.2Å; P204-H207 PolarHBondContact O-N 3.34Å; P204-H207 VanDerWaalsContact O-N 3.14Å; P204-H207 VanDerWaalsContact O-O 3.11Å; H207-D209 VanDerWaalsContact C-N 3.27Å; H207-D209 PolarHBondContact O-N 3.09Å; H207-A210 HydrophobicContact CB-CB 4.4Å; H207-A210 PolarHBondContact O-N 3.22Å; H207-F216 HydrophobicContact CB-CE2 4.32Å; H207-G273 PolarHBondContact ND1-O 3.35Å; H207-S274 PolarHBondContact CE1-OG 3.36Å; H207-S274 PolarHBondContact ND1-OG 3.01Å
208	W	88.5	Confident	86.5	Confident	81 Å²	81	59.5 Å²	59.5	31%	0.307	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.4	-173.2	79.7	-90.5	0	0	0	115.1	F258 Y272 G273 P501	W208-F258 HydrophobicContact CB-CE2 3.77Å; W208-F258 HydrophobicContact CB-CZ 3.91Å; W208-Y272 HydrophobicContact CD2-CD1 4.27Å; W208-Y272 HydrophobicContact CD2-CG 4.35Å; W208-Y272 HydrophobicContact CE3-CD1 4.11Å; W208-G273 VanDerWaalsContact CD1-O 3.28Å; W208-G273 PolarHBondContact N-O 2.99Å; W208-P501 HydrophobicContact CE3-CG 4.33Å; W208-P501 HydrophobicContact CH2-CB 4.28Å; W208-P501 HydrophobicContact CH2-CG 4.45Å; W208-P501 HydrophobicContact CZ3-CB 3.75Å; W208-P501 HydrophobicContact CZ3-CG 3.64Å
209	D	83.6	Confident	86.1	Confident	48 Å²	48	61.5 Å²	61.5	26%	0.257	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	28.4	-176.4	-148.5	17.5	0	0	0	113	H207 V211 S212	H207-D209 VanDerWaalsContact C-N 3.27Å; H207-D209 PolarHBondContact O-N 3.09Å; D209-V211 PolarHBondContact O-N 2.7Å; D209-S212 PolarHBondContact O-N 3.06Å; D209-S212 PolarHBondContact O-OG 3.09Å; D209-S212 WeakPolarHBondContact OD1-CB 3.18Å; D209-S212 PolarHBondContact OD1-OG 3.11Å; D209-S212 WeakPolarHBondContact OD2-CB 3.37Å; D209-S212 PolarHBondContact OD2-OG 2.82Å
210	A	80.4	Confident	85.9	Confident	13 Å²	13	63.4 Å²	63.4	11%	0.107	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.2	-175.9	0	0	0	0	0	114.6	P204 H207 F216	P204-A210 HydrophobicContact CB-CB 3.72Å; P204-A210 VanDerWaalsContact O-CB 3.29Å; P204-A210 WeakPolarHBondContact O-CB 3.18Å; H207-A210 HydrophobicContact CB-CB 4.4Å; H207-A210 PolarHBondContact O-N 3.22Å; A210-F216 HydrophobicContact CB-CD2 3.96Å; A210-F216 HydrophobicContact CB-CE2 3.77Å; A210-F216 HydrophobicContact CB-CZ 4.39Å
211	V	72.4	Confident	85.8	Confident	149 Å²	149	63.1 Å²	63.1	90%	0.903	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-23.9	177.6	-175.6	0	0	0	0	112.7	D209	D209-V211 PolarHBondContact O-N 2.7Å
212	S	69.6	Low	85.7	Confident	71 Å²	71	64.3 Å²	64.3	50%	0.497	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-15.9	175.6	85	0	0	0	0	113.1	D209 E214	D209-S212 PolarHBondContact O-N 3.06Å; D209-S212 PolarHBondContact O-OG 3.09Å; D209-S212 WeakPolarHBondContact OD1-CB 3.18Å; D209-S212 PolarHBondContact OD1-OG 3.11Å; D209-S212 WeakPolarHBondContact OD2-CB 3.37Å; D209-S212 PolarHBondContact OD2-OG 2.82Å; S212-E214 PolarHBondContact O-N 2.8Å
213	L	72.4	Confident	85.6	Confident	77 Å²	77	68.2 Å²	68.2	40%	0.403	36%	0.355	S	S	.	.	S	Bend	trans	-81.6	95.4	179.1	-71.8	171.6	0	0	0	111	C215 F216	L213-C215 PolarHBondContact O-N 3.25Å; L213-F216 HydrophobicContact CB-CB 4.43Å; L213-F216 HydrophobicContact CB-CD2 4.16Å; L213-F216 HydrophobicContact CD1-CD2 3.82Å; L213-F216 HydrophobicContact CD1-CE2 4.17Å; L213-F216 PolarHBondContact O-N 3.42Å
214	E	71.4	Confident	85.7	Confident	186 Å²	186	65.9 Å²	65.9	87%	0.869	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	133.1	164.8	-68.4	-176.4	175.6	0	0	110.6	S212 F216	S212-E214 PolarHBondContact O-N 2.8Å; E214-F216 VanDerWaalsContact C-N 3.3Å; E214-F216 PolarHBondContact O-N 3.09Å
215	C	73.8	Confident	85.8	Confident	98 Å²	98	62.9 Å²	62.9	66%	0.662	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	40.8	178.7	-59.6	0	0	0	0	114.3	L213 E217 E218	L213-C215 PolarHBondContact O-N 3.25Å; C215-E217 PolarHBondContact O-N 2.91Å; C215-E217 VanDerWaalsContact O-N 3.13Å; C215-E218 HydrophobicContact CB-CB 3.96Å; C215-E218 HydrophobicContact CB-CG 3.84Å; C215-E218 WeakPolarHBondContact O-CB 3.32Å; C215-E218 PolarHBondContact O-N 3.22Å
216	F	80.6	Confident	85.8	Confident	17 Å²	17	63 Å²	63	8%	0.075	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-42.8	-50	177.4	-177.2	-88.6	0	0	0	112.8	R203 P204 H207 A210 L213 E214 E218 D219 R222	R203-F216 WeakPolarHBondContact O-CZ 3.19Å; P204-F216 HydrophobicContact CG-CD1 4.02Å; P204-F216 HydrophobicContact CG-CE1 3.95Å; H207-F216 HydrophobicContact CB-CE2 4.32Å; A210-F216 HydrophobicContact CB-CD2 3.96Å; A210-F216 HydrophobicContact CB-CE2 3.77Å; A210-F216 HydrophobicContact CB-CZ 4.39Å; L213-F216 HydrophobicContact CB-CB 4.43Å; L213-F216 HydrophobicContact CB-CD2 4.16Å; L213-F216 HydrophobicContact CD1-CD2 3.82Å; L213-F216 HydrophobicContact CD1-CE2 4.17Å; L213-F216 PolarHBondContact O-N 3.42Å; E214-F216 VanDerWaalsContact C-N 3.3Å; E214-F216 PolarHBondContact O-N 3.09Å; F216-E218 PolarHBondContact O-N 2.93Å; F216-D219 PolarHBondContact O-N 3.05Å; F216-R222 PolarHBondContact O-NE 3.46Å; F216-R222 PolarHBondContact O-NH2 2.57Å
217	E	81	Confident	85.6	Confident	137 Å²	137	64.8 Å²	64.8	64%	0.64	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-68.1	-14.6	-177.4	-58.4	-174.8	160.5	0	0	114.4	C215 D219 K223	C215-E217 PolarHBondContact O-N 2.91Å; C215-E217 VanDerWaalsContact O-N 3.13Å; E217-D219 VanDerWaalsContact C-N 3.31Å; E217-D219 PolarHBondContact O-N 3.03Å; E217-K223 WeakPolarHBondContact O-CE 3.5Å
218	E	85.4	Confident	85.6	Confident	115 Å²	115	63 Å²	63	54%	0.537	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-77.6	-12.4	-179.4	-71.4	-63.1	102.4	0	0	114.2	C215 F216 P220 K223	C215-E218 HydrophobicContact CB-CB 3.96Å; C215-E218 HydrophobicContact CB-CG 3.84Å; C215-E218 WeakPolarHBondContact O-CB 3.32Å; C215-E218 PolarHBondContact O-N 3.22Å; F216-E218 PolarHBondContact O-N 2.93Å; E218-P220 WeakPolarHBondContact O-CD 3.33Å; E218-K223 WeakPolarHBondContact OE1-CE 3.47Å; E218-K223 IonicContact OE1-NZ 3.29Å; E218-K223 PolarHBondContact OE1-NZ 3.16Å; E218-K223 IonicContact OE2-NZ 2.74Å; E218-K223 PolarHBondContact OE2-NZ 3.15Å
219	D	90.3	Very high	85.9	Confident	43 Å²	43	59.4 Å²	59.4	23%	0.23	32%	0.32	C	S	.	.			trans	-55.3	123.9	178.3	176.4	-98.7	0	0	0	111.7	F216 E217 G221 R222 K223	F216-D219 PolarHBondContact O-N 3.05Å; E217-D219 VanDerWaalsContact C-N 3.31Å; E217-D219 PolarHBondContact O-N 3.03Å; D219-G221 PolarHBondContact O-N 2.88Å; D219-G221 VanDerWaalsContact O-N 3.14Å; D219-G221 WeakPolarHBondContact OD1-CA 3.26Å; D219-G221 PolarHBondContact OD1-N 2.77Å; D219-R222 HydrophobicContact CB-CB 4.31Å; D219-R222 HydrophobicContact CB-CG 4.48Å; D219-R222 PolarHBondContact O-N 3.08Å; D219-R222 VanDerWaalsContact O-N 3.09Å; D219-R222 PolarHBondContact OD1-N 3.05Å; D219-K223 PolarHBondContact O-N 2.82Å
220	P	93.8	Very high	86	Confident	56 Å²	56	57.6 Å²	57.6	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-57.8	-30.2	-179.4	-28.7	36.6	0	0	0	114	M172 E218 W224	M172-P220 HydrophobicContact CE-CB 3.89Å; M172-P220 WeakPolarHBondContact CE-O 3.5Å; M172-P220 HydrophobicContact CG-CB 4.13Å; M172-P220 HydrophobicContact SD-CB 3.71Å; E218-P220 WeakPolarHBondContact O-CD 3.33Å; P220-W224 PolarHBondContact O-N 2.88Å
221	G	94.9	Very high	85.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-69.8	-41.6	176.6	0	0	0	0	0	112.6	D219 W224 M225	D219-G221 PolarHBondContact O-N 2.88Å; D219-G221 VanDerWaalsContact O-N 3.14Å; D219-G221 WeakPolarHBondContact OD1-CA 3.26Å; D219-G221 PolarHBondContact OD1-N 2.77Å; G221-W224 PolarHBondContact O-N 3.41Å; G221-M225 WeakPolarHBondContact O-CG 3.47Å; G221-M225 PolarHBondContact O-N 3.25Å
222	R	94.2	Very high	85.5	Confident	30 Å²	30	57.8 Å²	57.8	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-43.2	172.1	-80.3	-173.2	-85.6	-86.8	3.2	112.2	T200 A201 H202 F216 D219 W224 M225 D226	T200-R222 HydrophobicContact CG2-CG 3.71Å; A201-R222 WeakPolarHBondContact O-CD 3.48Å; A201-R222 VanDerWaalsContact O-CG 3.26Å; A201-R222 WeakPolarHBondContact O-CG 3.35Å; A201-R222 PolarHBondContact O-NH1 2.95Å; H202-R222 WeakPolarHBondContact O-CD 3.07Å; H202-R222 WeakPolarHBondContact O-CG 3.32Å; F216-R222 PolarHBondContact O-NE 3.46Å; F216-R222 PolarHBondContact O-NH2 2.57Å; D219-R222 HydrophobicContact CB-CB 4.31Å; D219-R222 HydrophobicContact CB-CG 4.48Å; D219-R222 PolarHBondContact O-N 3.08Å; D219-R222 VanDerWaalsContact O-N 3.09Å; D219-R222 PolarHBondContact OD1-N 3.05Å; R222-W224 VanDerWaalsContact C-N 3.28Å; R222-W224 PolarHBondContact O-N 2.95Å; R222-M225 WeakPolarHBondContact O-CB 2.92Å; R222-M225 PolarHBondContact O-N 3.29Å; R222-M225 VanDerWaalsContact O-N 3.08Å; R222-D226 PolarHBondContact O-N 2.88Å
223	K	93.6	Very high	84.9	Confident	93 Å²	93	58.3 Å²	58.3	40%	0.404	32%	0.321	S	S	.	.	H	α-helix	trans	-60.2	-36.4	174.9	-71.8	176.3	171.4	174.1	0	112.7	E217 E218 D219 D226 S227	E217-K223 WeakPolarHBondContact O-CE 3.5Å; E218-K223 WeakPolarHBondContact OE1-CE 3.47Å; E218-K223 IonicContact OE1-NZ 3.29Å; E218-K223 PolarHBondContact OE1-NZ 3.16Å; E218-K223 IonicContact OE2-NZ 2.74Å; E218-K223 PolarHBondContact OE2-NZ 3.15Å; D219-K223 PolarHBondContact O-N 2.82Å; K223-D226 PolarHBondContact O-N 3.09Å; K223-S227 PolarHBondContact O-N 2.8Å
224	W	95.8	Very high	83.8	Confident	18 Å²	18	58.4 Å²	58.4	7%	0.068	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-46	170.3	167.9	74.4	0	0	0	112.3	M172 Y175 L178 P220 G221 R222 D226 S227 L228	M172-W224 HydrophobicContact CE-CB 3.9Å; Y175-W224 HydrophobicContact CD1-CD2 4.18Å; Y175-W224 AromaticContact CD1-CE3 3.79Å; Y175-W224 HydrophobicContact CD1-CE3 3.79Å; Y175-W224 AromaticContact CD1-CH2 3.64Å; Y175-W224 HydrophobicContact CD1-CH2 3.64Å; Y175-W224 HydrophobicContact CD1-CZ2 4.03Å; Y175-W224 AromaticContact CD1-CZ3 3.52Å; Y175-W224 HydrophobicContact CD1-CZ3 3.52Å; Y175-W224 HydrophobicContact CD2-CB 4.31Å; Y175-W224 AromaticContact CD2-CD2 3.71Å; Y175-W224 HydrophobicContact CD2-CD2 3.71Å; Y175-W224 AromaticContact CD2-CE3 3.52Å; Y175-W224 HydrophobicContact CD2-CE3 3.52Å; Y175-W224 HydrophobicContact CD2-CG 4.05Å; Y175-W224 HydrophobicContact CD2-CZ3 4.12Å; Y175-W224 AromaticContact CE1-CE3 3.9Å; Y175-W224 HydrophobicContact CE1-CE3 3.9Å; Y175-W224 AromaticContact CE1-CH2 3.96Å; Y175-W224 HydrophobicContact CE1-CH2 3.96Å; Y175-W224 AromaticContact CE1-CZ3 3.48Å; Y175-W224 HydrophobicContact CE1-CZ3 3.48Å; Y175-W224 VanDerWaalsContact CE1-CZ3 3.48Å; Y175-W224 HydrophobicContact CE2-CD2 4.29Å; Y175-W224 AromaticContact CE2-CE3 3.64Å; Y175-W224 HydrophobicContact CE2-CE3 3.64Å; Y175-W224 HydrophobicContact CE2-CZ3 4.09Å; Y175-W224 AromaticContact CG-CD2 3.63Å; Y175-W224 HydrophobicContact CG-CD2 3.63Å; Y175-W224 AromaticContact CG-CE2 3.91Å; Y175-W224 AromaticContact CG-CE3 3.59Å; Y175-W224 HydrophobicContact CG-CE3 3.59Å; Y175-W224 HydrophobicContact CG-CG 4.23Å; Y175-W224 HydrophobicContact CG-CH2 4.1Å; Y175-W224 HydrophobicContact CG-CZ2 4.13Å; Y175-W224 AromaticContact CG-CZ3 3.85Å; Y175-W224 HydrophobicContact CG-CZ3 3.85Å; Y175-W224 AromaticContact CZ-CE3 3.8Å; Y175-W224 AromaticContact CZ-CZ3 3.75Å; Y175-W224 PolarHBondContact O-NE1 3.25Å; L178-W224 HydrophobicContact CD2-CH2 4.18Å; L178-W224 HydrophobicContact CD2-CZ2 4.33Å; P220-W224 PolarHBondContact O-N 2.88Å; G221-W224 PolarHBondContact O-N 3.41Å; R222-W224 VanDerWaalsContact C-N 3.28Å; R222-W224 PolarHBondContact O-N 2.95Å; W224-D226 PolarHBondContact O-N 3.48Å; W224-S227 PolarHBondContact O-N 3.17Å; W224-S227 PolarHBondContact O-OG 2.92Å; W224-L228 HydrophobicContact CH2-CD2 3.82Å; W224-L228 HydrophobicContact CZ2-CD2 3.77Å; W224-L228 PolarHBondContact O-N 3.47Å
225	M	95.8	Very high	82.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-34.3	175.6	-68.3	-170.8	73.7	0	0	112.3	L198 T200 H202 G221 R222 S227 L228 L229 Y278	L198-M225 HydrophobicContact CD1-CE 4.09Å; T200-M225 HydrophobicContact CG2-SD 3.69Å; H202-M225 HydrophobicContact CB-CE 3.78Å; H202-M225 HydrophobicContact CB-SD 3.96Å; G221-M225 WeakPolarHBondContact O-CG 3.47Å; G221-M225 PolarHBondContact O-N 3.25Å; R222-M225 WeakPolarHBondContact O-CB 2.92Å; R222-M225 PolarHBondContact O-N 3.29Å; R222-M225 VanDerWaalsContact O-N 3.08Å; M225-S227 VanDerWaalsContact C-N 3.35Å; M225-L228 PolarHBondContact O-N 2.83Å; M225-L229 HydrophobicContact CB-CD1 4.31Å; M225-L229 HydrophobicContact CE-CD1 3.88Å; M225-L229 VanDerWaalsContact O-CB 3.3Å; M225-L229 WeakPolarHBondContact O-CB 3.25Å; M225-L229 VanDerWaalsContact O-CG 3.28Å; M225-L229 WeakPolarHBondContact O-CG 3.36Å; M225-L229 PolarHBondContact O-N 3.2Å; M225-Y278 HydrophobicContact CE-CD1 4.28Å; M225-Y278 HydrophobicContact CE-CE1 3.71Å; M225-Y278 HydrophobicContact CE-CE2 4.24Å
226	D	92.7	Very high	81.2	Confident	53 Å²	53	58.1 Å²	58.1	28%	0.283	32%	0.324	S	S	.	.	H	α-helix	trans	-68.9	-26.8	174.3	-81.7	-34.1	0	0	0	114.6	H202 R203 R222 K223 W224	H202-D226 IonicContact CD2-OD1 3.85Å; H202-D226 IonicContact CE1-OD1 2.81Å; H202-D226 IonicContact NE2-OD1 3.79Å; H202-D226 PolarHBondContact NE2-OD1 2.94Å; H202-D226 IonicContact NE2-OD2 2.82Å; R203-D226 IonicContact CZ-OD1 3.52Å; R203-D226 IonicContact CZ-OD2 3.2Å; R203-D226 VanDerWaalsContact NH1-CG 3.26Å; R203-D226 IonicContact NH1-OD1 2.75Å; R203-D226 PolarHBondContact NH1-OD1 3.33Å; R203-D226 IonicContact NH1-OD2 2.71Å; R203-D226 PolarHBondContact NH1-OD2 3.42Å; R203-D226 IonicContact NH2-OD1 3.53Å; R203-D226 PolarHBondContact NH2-OD1 3.42Å; R222-D226 PolarHBondContact O-N 2.88Å; K223-D226 PolarHBondContact O-N 3.09Å; W224-D226 PolarHBondContact O-N 3.48Å
227	S	92	Very high	79.6	Confident	39 Å²	39	62.3 Å²	62.3	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-76	-33.8	167.5	68.8	0	0	0	0	113	K223 W224 M225 H239 G241	K223-S227 PolarHBondContact O-N 2.8Å; W224-S227 PolarHBondContact O-N 3.17Å; W224-S227 PolarHBondContact O-OG 2.92Å; M225-S227 VanDerWaalsContact C-N 3.35Å; S227-H239 PolarHBondContact O-CE1 3Å; S227-H239 PolarHBondContact O-ND1 3.05Å; S227-G241 WeakPolarHBondContact O-CA 3.35Å
228	L	94.7	Very high	78.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-77.8	-31.2	-175	-170.4	72.9	0	0	0	113	Q179 I194 W224 M225 G241 P242 F243 L280	Q179-L228 HydrophobicContact CB-CD1 4.46Å; Q179-L228 HydrophobicContact CG-CD1 4.05Å; I194-L228 HydrophobicContact CD1-CD2 4.37Å; W224-L228 HydrophobicContact CH2-CD2 3.82Å; W224-L228 HydrophobicContact CZ2-CD2 3.77Å; W224-L228 PolarHBondContact O-N 3.47Å; M225-L228 PolarHBondContact O-N 2.83Å; L228-G241 CarbonylContact O-C 3.58Å; L228-G241 WeakPolarHBondContact O-CA 3.31Å; L228-P242 WeakPolarHBondContact O-CD 3.43Å; L228-F243 HydrophobicContact CD1-CD2 3.63Å; L228-F243 HydrophobicContact CD1-CE2 4.1Å; L228-F243 HydrophobicContact CG-CB 4.42Å; L228-F243 HydrophobicContact CG-CD2 3.97Å; L228-F243 PolarHBondContact O-N 2.86Å; L228-F243 VanDerWaalsContact O-N 3.11Å; L228-L280 HydrophobicContact CD2-CD1 3.82Å
229	L	94.9	Very high	77.1	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.026	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-107.3	133.9	-164.5	-62.1	177.4	0	0	0	115	M225 N231 F243 D245 L280	M225-L229 HydrophobicContact CB-CD1 4.31Å; M225-L229 HydrophobicContact CE-CD1 3.88Å; M225-L229 VanDerWaalsContact O-CB 3.3Å; M225-L229 WeakPolarHBondContact O-CB 3.25Å; M225-L229 VanDerWaalsContact O-CG 3.28Å; M225-L229 WeakPolarHBondContact O-CG 3.36Å; M225-L229 PolarHBondContact O-N 3.2Å; L229-N231 PolarHBondContact O-N 2.85Å; L229-F243 CarbonylContact C-O 3.59Å; L229-F243 WeakPolarHBondContact CA-O 3.24Å; L229-F243 HydrophobicContact CD2-CB 3.95Å; L229-D245 HydrophobicContact CD1-CB 4.32Å; L229-L280 HydrophobicContact CD2-CD1 4.08Å; L229-L280 HydrophobicContact CD2-CD2 3.96Å; L229-L280 HydrophobicContact CD2-CG 4.48Å
230	S	87	Confident	76.5	Confident	10 Å²	10	63.3 Å²	63.3	7%	0.07	38%	0.382	C	S	.	.			trans	-68.7	112.1	168.4	-93.1	0	0	0	0	111.6	L232 V240 G241 F243 R283	S230-L232 PolarHBondContact O-N 2.9Å; S230-V240 WeakPolarHBondContact OG-CG1 3.4Å; S230-G241 WeakPolarHBondContact CB-O 3.39Å; S230-G241 PolarHBondContact N-O 3.09Å; S230-G241 PolarHBondContact OG-O 2.8Å; S230-F243 PolarHBondContact N-O 3.07Å; S230-R283 PolarHBondContact OG-NH1 2.98Å; S230-R283 VanDerWaalsContact OG-NH1 3.07Å
231	N	74.8	Confident	76.3	Confident	79 Å²	79	60.6 Å²	60.6	42%	0.422	37%	0.365	S	S	.	.			trans	-74.9	89.8	166.5	-72.9	-59.8	0	0	0	110.5	R203 L229 G233 C234	R203-N231 PolarHBondContact NH2-OD1 2.84Å; L229-N231 PolarHBondContact O-N 2.85Å; N231-G233 PolarHBondContact O-N 3.29Å; N231-C234 HydrophobicContact CB-CB 4.05Å; N231-C234 PolarHBondContact O-N 2.98Å
232	L	66.9	Low	76.3	Confident	86 Å²	86	62.3 Å²	62.3	45%	0.45	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.5	-176.4	-74.1	169.8	0	0	0	115.4	S230 I244 C249	S230-L232 PolarHBondContact O-N 2.9Å; L232-I244 HydrophobicContact CD1-CD1 4.26Å; L232-I244 HydrophobicContact CD1-CG2 4.07Å; L232-I244 HydrophobicContact CD2-CD1 3.88Å; L232-I244 HydrophobicContact CG-CD1 4.31Å; L232-C249 HydrophobicContact CD1-CB 4.12Å; L232-C249 VanDerWaalsContact CD1-SG 3.53Å
233	G	57.1	Low	76.4	Confident	82 Å²	82	60.9 Å²	60.9	85%	0.845	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.1	178.6	0	0	0	0	0	115.5	N231	N231-G233 PolarHBondContact O-N 3.29Å
234	C	48.3	Very low	76.6	Confident	79 Å²	79	56.5 Å²	56.5	53%	0.534	35%	0.352	S	S	.	.			trans	-109.1	113.9	-172.7	-156.5	0	0	0	0	111.7	N231 S236	N231-C234 HydrophobicContact CB-CB 4.05Å; N231-C234 PolarHBondContact O-N 2.98Å; C234-S236 VanDerWaalsContact C-N 3.25Å; C234-S236 VanDerWaalsContact SG-CB 3.55Å
235	Q	45.3	Very low	76.7	Confident	205 Å²	205	56.1 Å²	56.1	96%	0.958	35%	0.351	S	S	*	.			trans	-83.7	1.6	173.3	-64	-178.1	-3.4	0	0	113.1
236	S	46.7	Very low	76.8	Confident	73 Å²	73	56.1 Å²	56.1	51%	0.51	35%	0.351	S	S	.	.	S	Bend	trans	-66.5	133.8	173.3	-179.5	0	0	0	0	110.4	C234 S238	C234-S236 VanDerWaalsContact C-N 3.25Å; C234-S236 VanDerWaalsContact SG-CB 3.55Å; S236-S238 PolarHBondContact O-N 3.33Å
237	A	46	Very low	77.1	Confident	106 Å²	106	54.6 Å²	54.6	88%	0.876	34%	0.341	S	S	*	.			trans	-71.5	15.2	179.7	0	0	0	0	0	114.4	H239	A237-H239 PolarHBondContact O-N 3.1Å
238	S	53.6	Low	77.3	Confident	99 Å²	99	54.4 Å²	54.4	69%	0.692	34%	0.335	S	S	*	.	S	Bend	trans	-81.5	96	176.9	-166.5	0	0	0	0	110.9	S236	S236-S238 PolarHBondContact O-N 3.33Å
239	H	60.7	Low	77.4	Confident	121 Å²	121	56.7 Å²	56.7	56%	0.56	35%	0.35	S	S	*	.			trans	45.6	91.5	167.8	-161.9	-80.1	0	0	0	117	S227 A237 G241	S227-H239 PolarHBondContact O-CE1 3Å; S227-H239 PolarHBondContact O-ND1 3.05Å; A237-H239 PolarHBondContact O-N 3.1Å; H239-G241 PolarHBondContact O-N 3.16Å; H239-G241 VanDerWaalsContact O-N 3.16Å
240	V	77.7	Confident	77.4	Confident	95 Å²	95	59.8 Å²	59.8	58%	0.576	36%	0.363	S	S	*	.			trans	-78.5	97.3	171.6	-177.9	0	0	0	0	109.9	S230	S230-V240 WeakPolarHBondContact OG-CG1 3.4Å
241	G	89.3	Confident	77.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	38%	0.379	C	S	.	.			trans	-59.7	143.4	177.8	0	0	0	0	0	113.1	S227 L228 S230 H239 F243	S227-G241 WeakPolarHBondContact O-CA 3.35Å; L228-G241 CarbonylContact O-C 3.58Å; L228-G241 WeakPolarHBondContact O-CA 3.31Å; S230-G241 WeakPolarHBondContact CB-O 3.39Å; S230-G241 PolarHBondContact N-O 3.09Å; S230-G241 PolarHBondContact OG-O 2.8Å; H239-G241 PolarHBondContact O-N 3.16Å; H239-G241 VanDerWaalsContact O-N 3.16Å; G241-F243 VanDerWaalsContact C-N 3.29Å; G241-F243 PolarHBondContact O-N 3.33Å
242	P	94.3	Very high	78.8	Confident	35 Å²	35	63.4 Å²	63.4	23%	0.227	38%	0.383	C	S	.	.	S	Bend	trans	-68.7	-20.2	-169.3	21.3	-29.6	0	0	0	115.3	E183 L186 L228 R283	E183-P242 HydrophobicContact CG-CG 4.2Å; L186-P242 HydrophobicContact CD2-CB 3.87Å; L228-P242 WeakPolarHBondContact O-CD 3.43Å; P242-R283 PolarHBondContact O-N 3.4Å; P242-R283 VanDerWaalsContact O-N 3.1Å
243	F	97.8	Very high	80.1	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	157.1	-177.8	-67.6	-87.3	0	0	0	112.6	A182 V192 I194 L228 L229 S230 G241 L280 G281 D282	A182-F243 HydrophobicContact CB-CE2 4.01Å; A182-F243 HydrophobicContact CB-CZ 3.76Å; V192-F243 HydrophobicContact CB-CE1 3.81Å; V192-F243 HydrophobicContact CB-CZ 4.06Å; V192-F243 HydrophobicContact CG1-CE1 3.75Å; V192-F243 HydrophobicContact CG1-CZ 3.9Å; I194-F243 HydrophobicContact CD1-CD1 4.35Å; I194-F243 HydrophobicContact CD1-CD2 4.44Å; I194-F243 HydrophobicContact CD1-CE1 4.17Å; I194-F243 HydrophobicContact CD1-CE2 4.26Å; I194-F243 HydrophobicContact CD1-CZ 4.14Å; I194-F243 HydrophobicContact CG1-CE1 4.25Å; L228-F243 HydrophobicContact CD1-CD2 3.63Å; L228-F243 HydrophobicContact CD1-CE2 4.1Å; L228-F243 HydrophobicContact CG-CB 4.42Å; L228-F243 HydrophobicContact CG-CD2 3.97Å; L228-F243 PolarHBondContact O-N 2.86Å; L228-F243 VanDerWaalsContact O-N 3.11Å; L229-F243 CarbonylContact C-O 3.59Å; L229-F243 WeakPolarHBondContact CA-O 3.24Å; L229-F243 HydrophobicContact CD2-CB 3.95Å; S230-F243 PolarHBondContact N-O 3.07Å; G241-F243 VanDerWaalsContact C-N 3.29Å; G241-F243 PolarHBondContact O-N 3.33Å; F243-L280 HydrophobicContact CB-CB 4.46Å; F243-G281 CarbonylContact C-O 3.6Å; F243-G281 WeakPolarHBondContact CA-O 3.18Å; F243-D282 HydrophobicContact CE1-CB 4.44Å
244	I	97.7	Very high	82	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.6	169.6	-67.8	171.8	0	0	0	108.6	L232 S246 C249 L280 G281 R283 V286 I287	L232-I244 HydrophobicContact CD1-CD1 4.26Å; L232-I244 HydrophobicContact CD1-CG2 4.07Å; L232-I244 HydrophobicContact CD2-CD1 3.88Å; L232-I244 HydrophobicContact CG-CD1 4.31Å; I244-S246 PolarHBondContact O-N 2.82Å; I244-S246 VanDerWaalsContact O-N 3.09Å; I244-C249 HydrophobicContact CG2-CB 3.76Å; I244-L280 WeakPolarHBondContact O-CA 3.39Å; I244-G281 PolarHBondContact N-O 2.76Å; I244-G281 PolarHBondContact O-N 3.28Å; I244-G281 VanDerWaalsContact O-N 3.07Å; I244-R283 HydrophobicContact CD1-CB 4.28Å; I244-R283 HydrophobicContact CD1-CG 4.02Å; I244-V286 HydrophobicContact CB-CB 4.23Å; I244-V286 HydrophobicContact CB-CG1 4.17Å; I244-V286 HydrophobicContact CB-CG2 4.22Å; I244-V286 HydrophobicContact CD1-CB 4.28Å; I244-V286 HydrophobicContact CD1-CG1 4.38Å; I244-V286 HydrophobicContact CG2-CB 4.48Å; I244-V286 HydrophobicContact CG2-CG1 3.86Å; I244-I287 HydrophobicContact CD1-CD1 4.28Å; I244-I287 HydrophobicContact CD1-CG1 4.17Å
245	D	98	Very high	84.2	Confident	10 Å²	10	72.1 Å²	72.1	5%	0.053	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	101.6	162.6	177.1	-10.2	0	0	0	108.7	L229 Y247 R248 C249 R275 L280	L229-D245 HydrophobicContact CD1-CB 4.32Å; D245-Y247 PolarHBondContact O-N 3.18Å; D245-Y247 PolarHBondContact OD1-N 2.81Å; D245-Y247 VanDerWaalsContact OD1-N 3.09Å; D245-R248 HydrophobicContact CB-CB 4.34Å; D245-R248 PolarHBondContact O-N 2.72Å; D245-R248 PolarHBondContact OD1-N 3.46Å; D245-R248 WeakPolarHBondContact OD2-CG 3.2Å; D245-C249 PolarHBondContact O-N 3.17Å; D245-R275 VanDerWaalsContact CG-NH1 3.3Å; D245-R275 IonicContact OD1-NH1 3.89Å; D245-R275 PolarHBondContact OD1-NH1 3.45Å; D245-R275 IonicContact OD2-CZ 3.99Å; D245-R275 IonicContact OD2-NH1 3.68Å; D245-R275 PolarHBondContact OD2-NH1 2.81Å; D245-R275 IonicContact OD2-NH2 3.94Å; D245-R275 PolarHBondContact OD2-NH2 3.17Å; D245-L280 HydrophobicContact CB-CD2 3.93Å
246	S	98	Very high	86.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-35.1	-174.6	67.1	0	0	0	0	111.9	I244 R248 C249 F250 V279 F290 S293	I244-S246 PolarHBondContact O-N 2.82Å; I244-S246 VanDerWaalsContact O-N 3.09Å; S246-R248 PolarHBondContact O-N 2.94Å; S246-C249 VanDerWaalsContact O-CB 3.32Å; S246-C249 WeakPolarHBondContact O-CB 3.47Å; S246-C249 PolarHBondContact O-N 3.13Å; S246-C249 VanDerWaalsContact O-N 3.17Å; S246-F250 VanDerWaalsContact O-CD2 3.29Å; S246-F250 WeakPolarHBondContact O-CD2 3.06Å; S246-F250 PolarHBondContact O-N 3.32Å; S246-F250 VanDerWaalsContact O-N 3.08Å; S246-V279 WeakPolarHBondContact CB-O 3.31Å; S246-V279 PolarHBondContact N-O 3.24Å; S246-V279 PolarHBondContact OG-O 3Å; S246-F290 VanDerWaalsContact CB-CE1 3.43Å; S246-S293 WeakPolarHBondContact OG-CB 3.19Å; S246-S293 PolarHBondContact OG-OG 2.78Å
247	Y	98.3	Very high	88.9	Confident	21 Å²	21	60.7 Å²	60.7	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-42.7	-179.5	-175.8	-97.9	0	0	0	110.9	D245 C249 F250 Q251 Q254 A257 S293 L295	D245-Y247 PolarHBondContact O-N 3.18Å; D245-Y247 PolarHBondContact OD1-N 2.81Å; D245-Y247 VanDerWaalsContact OD1-N 3.09Å; Y247-C249 VanDerWaalsContact C-N 3.31Å; Y247-C249 PolarHBondContact O-N 3.5Å; Y247-F250 PolarHBondContact O-N 3.05Å; Y247-Q251 HydrophobicContact CD1-CB 4.49Å; Y247-Q251 HydrophobicContact CE1-CB 3.95Å; Y247-Q251 HydrophobicContact CE2-CB 4.06Å; Y247-Q251 HydrophobicContact CE2-CG 3.91Å; Y247-Q251 WeakPolarHBondContact O-CA 3.18Å; Y247-Q251 WeakPolarHBondContact O-CB 3.4Å; Y247-Q251 PolarHBondContact O-N 2.95Å; Y247-Q254 WeakPolarHBondContact OH-CG 3.21Å; Y247-A257 HydrophobicContact CE1-CB 3.53Å; Y247-A257 WeakPolarHBondContact OH-CB 3.44Å; Y247-S293 WeakPolarHBondContact CA-OG 3.44Å; Y247-S293 PolarHBondContact N-OG 3.05Å; Y247-L295 HydrophobicContact CD2-CD2 3.72Å; Y247-L295 HydrophobicContact CD2-CG 4.01Å; Y247-L295 HydrophobicContact CE1-CD1 4.35Å; Y247-L295 HydrophobicContact CE2-CD1 4.14Å; Y247-L295 HydrophobicContact CE2-CD2 3.88Å; Y247-L295 HydrophobicContact CE2-CG 3.62Å; Y247-L295 HydrophobicContact CG-CD2 4.07Å
248	R	96.9	Very high	91.4	Very high	35 Å²	35	56.4 Å²	56.4	13%	0.132	30%	0.299	C	S	.	.	H	α-helix	trans	-76.3	-15.1	174.6	-67.6	-65.5	177.3	-157.8	4.2	114.1	I205 D206 D245 S246 Q251 P252 Q254 R275	I205-R248 PolarHBondContact O-NH2 3.47Å; D206-R248 IonicContact OD1-CZ 3.13Å; D206-R248 VanDerWaalsContact OD1-CZ 3.29Å; D206-R248 IonicContact OD1-NE 2.74Å; D206-R248 PolarHBondContact OD1-NE 3.33Å; D206-R248 IonicContact OD1-NH2 3.71Å; D206-R248 PolarHBondContact OD1-NH2 2.86Å; D245-R248 HydrophobicContact CB-CB 4.34Å; D245-R248 PolarHBondContact O-N 2.72Å; D245-R248 PolarHBondContact OD1-N 3.46Å; D245-R248 WeakPolarHBondContact OD2-CG 3.2Å; S246-R248 PolarHBondContact O-N 2.94Å; R248-Q251 PolarHBondContact NH1-O 3.31Å; R248-P252 VanDerWaalsContact O-CA 3.23Å; R248-P252 WeakPolarHBondContact O-CA 3.46Å; R248-P252 WeakPolarHBondContact O-CB 3.32Å; R248-Q254 PolarHBondContact NH1-O 3.44Å; R248-Q254 PolarHBondContact NH2-O 2.85Å; R248-R275 VanDerWaalsContact CG-NH2 3.27Å
249	C	95.5	Very high	93.5	Very high	47 Å²	47	51.7 Å²	51.7	32%	0.318	27%	0.266	S	S	.	.	H	α-helix	trans	-68.7	-47.7	166.5	-169.2	0	0	0	0	111.8	L232 I244 D245 S246 Y247 V286	L232-C249 HydrophobicContact CD1-CB 4.12Å; L232-C249 VanDerWaalsContact CD1-SG 3.53Å; I244-C249 HydrophobicContact CG2-CB 3.76Å; D245-C249 PolarHBondContact O-N 3.17Å; S246-C249 VanDerWaalsContact O-CB 3.32Å; S246-C249 WeakPolarHBondContact O-CB 3.47Å; S246-C249 PolarHBondContact O-N 3.13Å; S246-C249 VanDerWaalsContact O-N 3.17Å; Y247-C249 VanDerWaalsContact C-N 3.31Å; Y247-C249 PolarHBondContact O-N 3.5Å; C249-V286 HydrophobicContact CB-CG1 4.42Å
250	F	95.8	Very high	95.3	Very high	71 Å²	71	47.1 Å²	47.1	31%	0.311	25%	0.247	S	C	.	.	H	α-helix	trans	-83.3	-30.9	179.9	-72.8	-83.1	0	0	0	113.6	S246 Y247 P252 F290 Q291	S246-F250 VanDerWaalsContact O-CD2 3.29Å; S246-F250 WeakPolarHBondContact O-CD2 3.06Å; S246-F250 PolarHBondContact O-N 3.32Å; S246-F250 VanDerWaalsContact O-N 3.08Å; Y247-F250 PolarHBondContact O-N 3.05Å; F250-P252 VanDerWaalsContact C-CD 3.44Å; F250-F290 HydrophobicContact CE2-CB 3.67Å; F250-F290 HydrophobicContact CE2-CD1 4.3Å; F250-F290 HydrophobicContact CE2-CG 4.5Å; F250-F290 HydrophobicContact CZ-CB 3.78Å; F250-Q291 WeakPolarHBondContact CE1-O 3.49Å
251	Q	96.3	Very high	96.2	Very high	84 Å²	84	43 Å²	43	39%	0.393	22%	0.221	S	C	.	.			trans	-129.6	57.8	-174.2	-58.4	-60.5	-16.8	0	0	112.3	Y247 R248 K253 Q254	Y247-Q251 HydrophobicContact CD1-CB 4.49Å; Y247-Q251 HydrophobicContact CE1-CB 3.95Å; Y247-Q251 HydrophobicContact CE2-CB 4.06Å; Y247-Q251 HydrophobicContact CE2-CG 3.91Å; Y247-Q251 WeakPolarHBondContact O-CA 3.18Å; Y247-Q251 WeakPolarHBondContact O-CB 3.4Å; Y247-Q251 PolarHBondContact O-N 2.95Å; R248-Q251 PolarHBondContact NH1-O 3.31Å; Q251-K253 VanDerWaalsContact C-N 3.25Å; Q251-K253 PolarHBondContact O-N 3.08Å; Q251-Q254 HydrophobicContact CB-CB 3.92Å; Q251-Q254 PolarHBondContact O-N 3.49Å
252	P	94.8	Very high	96.2	Very high	80 Å²	80	46 Å²	46	52%	0.519	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.7	-171.6	23.2	-34.4	0	0	0	114.4	R248 F250	R248-P252 VanDerWaalsContact O-CA 3.23Å; R248-P252 WeakPolarHBondContact O-CA 3.46Å; R248-P252 WeakPolarHBondContact O-CB 3.32Å; F250-P252 VanDerWaalsContact C-CD 3.44Å
253	K	94.4	Very high	95.7	Very high	187 Å²	187	48 Å²	48	81%	0.813	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	7.7	-175.5	-61.3	-174.4	-179.8	-177.7	0	114.2	Q251 E255	Q251-K253 VanDerWaalsContact C-N 3.25Å; Q251-K253 PolarHBondContact O-N 3.08Å; K253-E255 PolarHBondContact O-N 2.87Å
254	Q	95.8	Very high	94.8	Very high	95 Å²	95	53.9 Å²	53.9	44%	0.444	30%	0.297	S	S	.	.			trans	-75.2	108.4	-176.5	-175.7	57.5	57.9	0	0	111.2	Y247 R248 Q251 A257	Y247-Q254 WeakPolarHBondContact OH-CG 3.21Å; R248-Q254 PolarHBondContact NH1-O 3.44Å; R248-Q254 PolarHBondContact NH2-O 2.85Å; Q251-Q254 HydrophobicContact CB-CB 3.92Å; Q251-Q254 PolarHBondContact O-N 3.49Å; Q254-A257 HydrophobicContact CG-CB 4.11Å
255	E	94.7	Very high	93.9	Very high	149 Å²	149	55.1 Å²	55.1	70%	0.696	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	160.3	172.2	-64.8	-178.9	-177.4	0	0	111.3	I205 K253 A257	I205-E255 HydrophobicContact CD1-CG 3.86Å; I205-E255 HydrophobicContact CG1-CG 4.07Å; K253-E255 PolarHBondContact O-N 2.87Å; E255-A257 PolarHBondContact O-N 3.24Å; E255-A257 VanDerWaalsContact O-N 3.12Å
256	G	94.4	Very high	93.1	Very high	30 Å²	30	55.8 Å²	55.8	31%	0.309	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	9.4	-179.8	0	0	0	0	0	115.1	F258 N271	G256-F258 PolarHBondContact O-N 2.77Å; G256-N271 PolarHBondContact O-ND2 3.41Å
257	A	97.2	Very high	92.7	Very high	7 Å²	7	55.9 Å²	55.9	6%	0.058	31%	0.314	C	S	.	.			trans	-77.7	56.6	-176.1	0	0	0	0	0	112.9	Y247 Q254 E255 R275 L295	Y247-A257 HydrophobicContact CE1-CB 3.53Å; Y247-A257 WeakPolarHBondContact OH-CB 3.44Å; Q254-A257 HydrophobicContact CG-CB 4.11Å; E255-A257 PolarHBondContact O-N 3.24Å; E255-A257 VanDerWaalsContact O-N 3.12Å; A257-R275 WeakPolarHBondContact O-CB 3.27Å; A257-R275 WeakPolarHBondContact O-CD 3.13Å; A257-L295 HydrophobicContact CB-CD1 3.97Å
258	F	98.2	Very high	92.4	Very high	17 Å²	17	57 Å²	57	8%	0.075	32%	0.318	C	S	.	.			trans	-90.7	157.4	-176.3	-51.2	-43.9	0	0	0	112	W208 G256 W261 N271 G273	W208-F258 HydrophobicContact CB-CE2 3.77Å; W208-F258 HydrophobicContact CB-CZ 3.91Å; G256-F258 PolarHBondContact O-N 2.77Å; F258-W261 HydrophobicContact CB-CZ2 4.07Å; F258-W261 VanDerWaalsContact O-CH2 3.25Å; F258-W261 WeakPolarHBondContact O-CH2 3.49Å; F258-W261 VanDerWaalsContact O-CZ2 3.24Å; F258-W261 WeakPolarHBondContact O-CZ2 3.01Å; F258-N271 WeakPolarHBondContact CD2-O 3.36Å; F258-N271 WeakPolarHBondContact CD2-OD1 3.45Å; F258-N271 WeakPolarHBondContact CE2-O 3.23Å; F258-G273 VanDerWaalsContact CG-C 3.43Å
259	T	98.4	Very high	92	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-122.9	-19.6	-178.9	62	0	0	0	0	113.2	W261 S274 R275 L276 D277 L295 H304 C305 V307	T259-W261 VanDerWaalsContact C-CZ3 3.48Å; T259-W261 WeakPolarHBondContact O-CZ3 3.43Å; T259-S274 PolarHBondContact N-O 3.26Å; T259-S274 PolarHBondContact OG1-O 3.04Å; T259-R275 HydrophobicContact CG2-CG 3.91Å; T259-L276 PolarHBondContact OG1-N 3.48Å; T259-D277 WeakPolarHBondContact CB-OD2 3.35Å; T259-D277 HydrophobicContact CG2-CB 4.2Å; T259-D277 PolarHBondContact OG1-N 3.15Å; T259-D277 VanDerWaalsContact OG1-N 3.16Å; T259-D277 PolarHBondContact OG1-OD2 2.55Å; T259-L295 HydrophobicContact CG2-CD1 4.2Å; T259-L295 HydrophobicContact CG2-CD2 3.89Å; T259-H304 CarbonylContact O-C 3.53Å; T259-H304 WeakPolarHBondContact O-CA 3.49Å; T259-C305 PolarHBondContact O-N 3.07Å; T259-V307 HydrophobicContact CG2-CG1 3.45Å; T259-V307 VanDerWaalsContact CG2-CG1 3.45Å
260	C	97.9	Very high	91.7	Very high	24 Å²	24	62.7 Å²	62.7	16%	0.162	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.4	-178.9	-179.6	0	0	0	0	111	G273 S274 L276 D303 H304	C260-G273 CarbonylContact O-C 3.6Å; C260-G273 WeakPolarHBondContact O-CA 3.09Å; C260-S274 PolarHBondContact N-O 2.9Å; C260-S274 PolarHBondContact O-N 2.92Å; C260-L276 HydrophobicContact CB-CB 4.45Å; C260-L276 HydrophobicContact CB-CD1 3.75Å; C260-L276 HydrophobicContact CB-CG 4.07Å; C260-D303 WeakPolarHBondContact CA-O 3.47Å; C260-H304 PolarHBondContact SG-NE2 2.66Å
261	W	96.1	Very high	91.5	Very high	9 Å²	9	62.3 Å²	62.3	3%	0.034	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.5	178.3	-54.4	-97.1	0	0	0	111.7	F258 T259 A263 A267 R268 N271 G273 P297 D303 C305	F258-W261 HydrophobicContact CB-CZ2 4.07Å; F258-W261 VanDerWaalsContact O-CH2 3.25Å; F258-W261 WeakPolarHBondContact O-CH2 3.49Å; F258-W261 VanDerWaalsContact O-CZ2 3.24Å; F258-W261 WeakPolarHBondContact O-CZ2 3.01Å; T259-W261 VanDerWaalsContact C-CZ3 3.48Å; T259-W261 WeakPolarHBondContact O-CZ3 3.43Å; W261-A263 PolarHBondContact O-N 3.47Å; W261-A267 HydrophobicContact CB-CB 4.08Å; W261-R268 HydrophobicContact CB-CB 3.84Å; W261-R268 HydrophobicContact CB-CG 4.43Å; W261-R268 HydrophobicContact CD2-CB 4.06Å; W261-R268 HydrophobicContact CD2-CG 3.69Å; W261-R268 HydrophobicContact CE3-CB 4.44Å; W261-R268 HydrophobicContact CE3-CG 3.79Å; W261-R268 HydrophobicContact CG-CB 3.81Å; W261-R268 HydrophobicContact CG-CG 4.01Å; W261-R268 HydrophobicContact CZ3-CG 4.3Å; W261-N271 PolarHBondContact NE1-OD1 3.09Å; W261-G273 VanDerWaalsContact CD1-CA 3.41Å; W261-P297 HydrophobicContact CH2-CB 4.25Å; W261-D303 PolarHBondContact N-O 3.03Å; W261-D303 VanDerWaalsContact O-CB 3.31Å; W261-D303 WeakPolarHBondContact O-CB 3.28Å; W261-C305 HydrophobicContact CH2-CB 4.05Å; W261-C305 HydrophobicContact CZ3-CB 3.86Å
262	S	89.9	Confident	91.4	Very high	64 Å²	64	59.1 Å²	59.1	45%	0.448	33%	0.329	S	S	.	.			trans	-63.5	112.9	-176.9	-174.3	0	0	0	0	113.5	V264 T265 G266	S262-V264 PolarHBondContact O-N 3.36Å; S262-V264 VanDerWaalsContact O-N 3.1Å; S262-T265 WeakPolarHBondContact CB-OG1 3.36Å; S262-T265 PolarHBondContact O-N 2.99Å; S262-T265 PolarHBondContact O-OG1 2.71Å; S262-T265 VanDerWaalsContact O-OG1 3.1Å; S262-G266 PolarHBondContact O-N 3.32Å
263	A	83.4	Confident	91.4	Very high	75 Å²	75	55.4 Å²	55.4	62%	0.62	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.4	176.7	0	0	0	0	0	114.1	W261 D303	W261-A263 PolarHBondContact O-N 3.47Å; A263-D303 HydrophobicContact CB-CB 4.19Å
264	V	78.3	Confident	91.5	Very high	125 Å²	125	47.7 Å²	47.7	76%	0.758	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-31.2	-176.2	-175.9	0	0	0	0	112.1	S262	S262-V264 PolarHBondContact O-N 3.36Å; S262-V264 VanDerWaalsContact O-N 3.1Å
265	T	78.8	Confident	91.7	Very high	27 Å²	27	43.1 Å²	43.1	17%	0.166	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-21.1	-178.2	59.6	0	0	0	0	113.2	S262 A267 P498 R499	S262-T265 WeakPolarHBondContact CB-OG1 3.36Å; S262-T265 PolarHBondContact O-N 2.99Å; S262-T265 PolarHBondContact O-OG1 2.71Å; S262-T265 VanDerWaalsContact O-OG1 3.1Å; T265-A267 VanDerWaalsContact C-N 3.33Å; T265-A267 VanDerWaalsContact OG1-CB 3.23Å; T265-A267 WeakPolarHBondContact OG1-CB 3.32Å; T265-A267 PolarHBondContact OG1-N 3.48Å; T265-P498 WeakPolarHBondContact O-CA 3.33Å; T265-P498 WeakPolarHBondContact O-CB 3.42Å; T265-R499 HydrophobicContact CG2-CB 3.85Å; T265-R499 PolarHBondContact O-N 2.93Å
266	G	81.8	Confident	91.8	Very high	24 Å²	24	37.1 Å²	37.1	25%	0.247	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	15	-169.1	0	0	0	0	0	113.6	S262 R268 H269 P498	S262-G266 PolarHBondContact O-N 3.32Å; G266-R268 PolarHBondContact O-N 2.68Å; G266-H269 PolarHBondContact O-N 2.93Å; G266-H269 PolarHBondContact O-ND1 3.1Å; G266-P498 VanDerWaalsContact O-CB 3.31Å; G266-P498 WeakPolarHBondContact O-CB 3.45Å
267	A	88.8	Confident	92.1	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.017	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-49.5	-31.5	-169.8	0	0	0	0	0	116.1	W261 T265 H269 L270 N271 Y272	W261-A267 HydrophobicContact CB-CB 4.08Å; T265-A267 VanDerWaalsContact C-N 3.33Å; T265-A267 VanDerWaalsContact OG1-CB 3.23Å; T265-A267 WeakPolarHBondContact OG1-CB 3.32Å; T265-A267 PolarHBondContact OG1-N 3.48Å; A267-H269 PolarHBondContact O-N 2.84Å; A267-H269 VanDerWaalsContact O-N 3.15Å; A267-L270 CarbonylContact O-C 3.51Å; A267-L270 PolarHBondContact O-N 2.77Å; A267-N271 PolarHBondContact O-N 3.44Å; A267-Y272 WeakPolarHBondContact CB-O 3.33Å; A267-Y272 PolarHBondContact O-N 3.09Å; A267-Y272 VanDerWaalsContact O-N 3.1Å
268	R	92.7	Very high	92.1	Very high	44 Å²	44	35.5 Å²	35.5	17%	0.166	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-55.6	-31.8	-178.9	-163.1	163.9	178.1	166.4	-2.8	113.2	W261 G266 L270 N271 P297 V299 M300 S302 H304	W261-R268 HydrophobicContact CB-CB 3.84Å; W261-R268 HydrophobicContact CB-CG 4.43Å; W261-R268 HydrophobicContact CD2-CB 4.06Å; W261-R268 HydrophobicContact CD2-CG 3.69Å; W261-R268 HydrophobicContact CE3-CB 4.44Å; W261-R268 HydrophobicContact CE3-CG 3.79Å; W261-R268 HydrophobicContact CG-CB 3.81Å; W261-R268 HydrophobicContact CG-CG 4.01Å; W261-R268 HydrophobicContact CZ3-CG 4.3Å; G266-R268 PolarHBondContact O-N 2.68Å; R268-L270 VanDerWaalsContact C-N 3.35Å; R268-L270 PolarHBondContact O-N 2.99Å; R268-N271 PolarHBondContact O-N 2.63Å; R268-P297 PolarHBondContact NH2-O 3.48Å; R268-V299 PolarHBondContact NH2-O 3.32Å; R268-M300 VanDerWaalsContact CZ-SD 3.58Å; R268-S302 PolarHBondContact NH1-O 2.76Å; R268-H304 PolarHBondContact NH1-O 2.92Å
269	H	88.2	Confident	92.2	Very high	152 Å²	152	34.9 Å²	34.9	70%	0.704	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-72.7	-22	179.6	-54.3	87.7	0	0	0	114.6	G266 A267 P498	G266-H269 PolarHBondContact O-N 2.93Å; G266-H269 PolarHBondContact O-ND1 3.1Å; A267-H269 PolarHBondContact O-N 2.84Å; A267-H269 VanDerWaalsContact O-N 3.15Å; H269-P498 HydrophobicContact CB-CG 4.38Å
270	L	89.3	Confident	92.2	Very high	51 Å²	51	34.9 Å²	34.9	27%	0.267	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-116.5	16.2	175	-63.3	-179.4	0	0	0	111.3	A267 R268 Y272 P498 S506	A267-L270 CarbonylContact O-C 3.51Å; A267-L270 PolarHBondContact O-N 2.77Å; R268-L270 VanDerWaalsContact C-N 3.35Å; R268-L270 PolarHBondContact O-N 2.99Å; L270-Y272 VanDerWaalsContact C-N 3.25Å; L270-Y272 HydrophobicContact CB-CD1 4.44Å; L270-Y272 HydrophobicContact CB-CD2 3.87Å; L270-Y272 HydrophobicContact CB-CE1 4.05Å; L270-Y272 HydrophobicContact CB-CE2 3.44Å; L270-Y272 VanDerWaalsContact CB-CE2 3.44Å; L270-Y272 HydrophobicContact CB-CG 4.36Å; L270-Y272 HydrophobicContact CD1-CE2 3.59Å; L270-Y272 WeakPolarHBondContact CD1-OH 3.3Å; L270-Y272 HydrophobicContact CG-CE2 4.14Å; L270-Y272 WeakPolarHBondContact O-CD1 3.42Å; L270-Y272 PolarHBondContact O-N 3.25Å; L270-Y272 VanDerWaalsContact O-N 3.17Å; L270-P498 HydrophobicContact CB-CG 4.33Å; L270-P498 HydrophobicContact CD1-CG 3.56Å; L270-P498 HydrophobicContact CG-CG 3.64Å; L270-S506 VanDerWaalsContact CD1-O 3.25Å; L270-S506 WeakPolarHBondContact CD1-O 3.47Å; L270-S506 WeakPolarHBondContact CD1-OG 3.48Å
271	N	93.1	Very high	92.2	Very high	62 Å²	62	33.7 Å²	33.7	33%	0.332	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	33.6	180	-156.9	20.2	0	0	0	115.5	G256 F258 W261 A267 R268 G273	G256-N271 PolarHBondContact O-ND2 3.41Å; F258-N271 WeakPolarHBondContact CD2-O 3.36Å; F258-N271 WeakPolarHBondContact CD2-OD1 3.45Å; F258-N271 WeakPolarHBondContact CE2-O 3.23Å; W261-N271 PolarHBondContact NE1-OD1 3.09Å; A267-N271 PolarHBondContact O-N 3.44Å; R268-N271 PolarHBondContact O-N 2.63Å; N271-G273 VanDerWaalsContact C-N 3.29Å; N271-G273 PolarHBondContact O-N 2.86Å
272	Y	93.2	Very high	92.3	Very high	18 Å²	18	33.4 Å²	33.4	7%	0.071	20%	0.197	C	C	.	.			trans	-80.8	73.7	176.1	-53.3	-43.9	0	0	0	111	W208 A267 L270 R499 G500 P501 D504 S506 S507	W208-Y272 HydrophobicContact CD2-CD1 4.27Å; W208-Y272 HydrophobicContact CD2-CG 4.35Å; W208-Y272 HydrophobicContact CE3-CD1 4.11Å; A267-Y272 WeakPolarHBondContact CB-O 3.33Å; A267-Y272 PolarHBondContact O-N 3.09Å; A267-Y272 VanDerWaalsContact O-N 3.1Å; L270-Y272 VanDerWaalsContact C-N 3.25Å; L270-Y272 HydrophobicContact CB-CD1 4.44Å; L270-Y272 HydrophobicContact CB-CD2 3.87Å; L270-Y272 HydrophobicContact CB-CE1 4.05Å; L270-Y272 HydrophobicContact CB-CE2 3.44Å; L270-Y272 VanDerWaalsContact CB-CE2 3.44Å; L270-Y272 HydrophobicContact CB-CG 4.36Å; L270-Y272 HydrophobicContact CD1-CE2 3.59Å; L270-Y272 WeakPolarHBondContact CD1-OH 3.3Å; L270-Y272 HydrophobicContact CG-CE2 4.14Å; L270-Y272 WeakPolarHBondContact O-CD1 3.42Å; L270-Y272 PolarHBondContact O-N 3.25Å; L270-Y272 VanDerWaalsContact O-N 3.17Å; Y272-R499 WeakPolarHBondContact CD2-O 3.32Å; Y272-G500 VanDerWaalsContact CD2-CA 3.42Å; Y272-P501 HydrophobicContact CE1-CG 4.47Å; Y272-D504 PolarHBondContact OH-OD2 3.02Å; Y272-S506 PolarHBondContact OH-OG 3.24Å; Y272-S507 VanDerWaalsContact CE2-OG 3.25Å; Y272-S507 WeakPolarHBondContact CE2-OG 3.22Å; Y272-S507 VanDerWaalsContact CZ-OG 3.3Å; Y272-S507 PolarHBondContact OH-OG 3.12Å
273	G	95.4	Very high	92.5	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	-176.2	-169.7	0	0	0	0	0	116.1	H207 W208 F258 C260 W261 N271	H207-G273 PolarHBondContact ND1-O 3.35Å; W208-G273 VanDerWaalsContact CD1-O 3.28Å; W208-G273 PolarHBondContact N-O 2.99Å; F258-G273 VanDerWaalsContact CG-C 3.43Å; C260-G273 CarbonylContact O-C 3.6Å; C260-G273 WeakPolarHBondContact O-CA 3.09Å; W261-G273 VanDerWaalsContact CD1-CA 3.41Å; N271-G273 VanDerWaalsContact C-N 3.29Å; N271-G273 PolarHBondContact O-N 2.86Å
274	S	96.9	Very high	93	Very high	24 Å²	24	35.2 Å²	35.2	17%	0.168	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.8	169.8	-57.5	0	0	0	0	109.3	D206 H207 T259 C260 L276	D206-S274 CarbonylContact O-C 3.27Å; D206-S274 WeakPolarHBondContact O-CA 3.24Å; H207-S274 PolarHBondContact CE1-OG 3.36Å; H207-S274 PolarHBondContact ND1-OG 3.01Å; T259-S274 PolarHBondContact N-O 3.26Å; T259-S274 PolarHBondContact OG1-O 3.04Å; C260-S274 PolarHBondContact N-O 2.9Å; C260-S274 PolarHBondContact O-N 2.92Å; S274-L276 PolarHBondContact O-N 2.9Å
275	R	98.4	Very high	93.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.			trans	-85.9	105.7	162.8	-167	171.4	64.3	102.6	5.4	108.3	A201 D206 D245 R248 A257 T259 Y278	A201-R275 WeakPolarHBondContact CA-O 3.47Å; D206-R275 HydrophobicContact CB-CB 4Å; D206-R275 PolarHBondContact O-N 3.17Å; D206-R275 IonicContact OD1-CZ 3.57Å; D206-R275 VanDerWaalsContact OD1-CZ 3.31Å; D206-R275 IonicContact OD1-NE 2.97Å; D206-R275 PolarHBondContact OD1-NE 3.07Å; D206-R275 IonicContact OD1-NH2 3.8Å; D206-R275 PolarHBondContact OD1-NH2 3.11Å; D206-R275 IonicContact OD2-CZ 3.77Å; D206-R275 IonicContact OD2-NE 2.7Å; D206-R275 IonicContact OD2-NH2 3.8Å; D206-R275 PolarHBondContact OD2-NH2 3.12Å; D245-R275 VanDerWaalsContact CG-NH1 3.3Å; D245-R275 IonicContact OD1-NH1 3.89Å; D245-R275 PolarHBondContact OD1-NH1 3.45Å; D245-R275 IonicContact OD2-CZ 3.99Å; D245-R275 IonicContact OD2-NH1 3.68Å; D245-R275 PolarHBondContact OD2-NH1 2.81Å; D245-R275 IonicContact OD2-NH2 3.94Å; D245-R275 PolarHBondContact OD2-NH2 3.17Å; R248-R275 VanDerWaalsContact CG-NH2 3.27Å; A257-R275 WeakPolarHBondContact O-CB 3.27Å; A257-R275 WeakPolarHBondContact O-CD 3.13Å; T259-R275 HydrophobicContact CG2-CG 3.91Å; R275-Y278 PolarHBondContact O-OH 2.79Å
276	L	98.5	Very high	94.7	Very high	23 Å²	23	28.2 Å²	28.2	12%	0.12	14%	0.144	C	C	.	.			trans	-114.9	-17.1	179.7	-55.4	-178	0	0	0	112.2	L198 A201 T259 C260 S274 Y278	L198-L276 PolarHBondContact N-O 3.37Å; A201-L276 HydrophobicContact CB-CD2 4.27Å; T259-L276 PolarHBondContact OG1-N 3.48Å; C260-L276 HydrophobicContact CB-CB 4.45Å; C260-L276 HydrophobicContact CB-CD1 3.75Å; C260-L276 HydrophobicContact CB-CG 4.07Å; S274-L276 PolarHBondContact O-N 2.9Å; L276-Y278 VanDerWaalsContact C-CE2 3.44Å; L276-Y278 WeakPolarHBondContact O-CD2 3.25Å; L276-Y278 VanDerWaalsContact O-CE2 3.27Å; L276-Y278 WeakPolarHBondContact O-CE2 3.17Å
277	D	98.9	Very high	95.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130	-175.6	-50.2	-103	0	0	0	109.3	G196 T259 H304 V307	G196-D277 WeakPolarHBondContact O-CA 3.36Å; T259-D277 WeakPolarHBondContact CB-OD2 3.35Å; T259-D277 HydrophobicContact CG2-CB 4.2Å; T259-D277 PolarHBondContact OG1-N 3.15Å; T259-D277 VanDerWaalsContact OG1-N 3.16Å; T259-D277 PolarHBondContact OG1-OD2 2.55Å; D277-H304 VanDerWaalsContact CG-ND1 3.32Å; D277-H304 IonicContact OD1-CE1 2.89Å; D277-H304 IonicContact OD1-CG 2.88Å; D277-H304 IonicContact OD1-ND1 2.71Å; D277-H304 PolarHBondContact OD1-ND1 3.4Å; D277-H304 IonicContact OD2-CE1 3.22Å; D277-H304 IonicContact OD2-CG 3.77Å; D277-H304 IonicContact OD2-ND1 2.67Å; D277-H304 PolarHBondContact OD2-ND1 3.23Å; D277-V307 HydrophobicContact CB-CG1 3.89Å; D277-V307 HydrophobicContact CB-CG2 4.01Å
278	Y	98.9	Very high	95.6	Very high	2 Å²	2	36 Å²	36	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.6	-170.8	-64.4	-101.3	0	0	0	112.5	L195 G196 L198 T200 H202 M225 R275 L276 L280	L195-Y278 VanDerWaalsContact CA-O 3.28Å; L195-Y278 WeakPolarHBondContact CA-O 3.28Å; G196-Y278 PolarHBondContact N-O 2.76Å; G196-Y278 VanDerWaalsContact N-O 3.09Å; G196-Y278 PolarHBondContact O-N 3.46Å; L198-Y278 HydrophobicContact CB-CD2 3.88Å; L198-Y278 HydrophobicContact CB-CE2 4.07Å; L198-Y278 HydrophobicContact CD1-CD2 3.52Å; L198-Y278 HydrophobicContact CD1-CE2 4.1Å; L198-Y278 HydrophobicContact CD1-CG 3.79Å; L198-Y278 HydrophobicContact CG-CD2 3.66Å; L198-Y278 HydrophobicContact CG-CE2 4.32Å; L198-Y278 HydrophobicContact CG-CG 4.29Å; T200-Y278 VanDerWaalsContact O-CE2 3.28Å; T200-Y278 WeakPolarHBondContact O-CE2 3.33Å; T200-Y278 PolarHBondContact O-OH 2.86Å; H202-Y278 PolarHBondContact N-OH 2.91Å; H202-Y278 VanDerWaalsContact N-OH 3.1Å; M225-Y278 HydrophobicContact CE-CD1 4.28Å; M225-Y278 HydrophobicContact CE-CE1 3.71Å; M225-Y278 HydrophobicContact CE-CE2 4.24Å; R275-Y278 PolarHBondContact O-OH 2.79Å; L276-Y278 VanDerWaalsContact C-CE2 3.44Å; L276-Y278 WeakPolarHBondContact O-CD2 3.25Å; L276-Y278 VanDerWaalsContact O-CE2 3.27Å; L276-Y278 WeakPolarHBondContact O-CE2 3.17Å; Y278-L280 HydrophobicContact CD1-CD2 3.91Å; Y278-L280 HydrophobicContact CG-CD2 4.21Å
279	V	98.8	Very high	95.7	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	98.5	156.9	-177.9	0	0	0	0	107	I193 L195 S246 F290 V307 A309	I193-V279 HydrophobicContact CG2-CG1 3.8Å; L195-V279 HydrophobicContact CB-CG2 4.23Å; S246-V279 WeakPolarHBondContact CB-O 3.31Å; S246-V279 PolarHBondContact N-O 3.24Å; S246-V279 PolarHBondContact OG-O 3Å; V279-F290 HydrophobicContact CG1-CE1 4.12Å; V279-F290 HydrophobicContact CG1-CZ 4.29Å; V279-V307 HydrophobicContact CG2-CG2 4.1Å; V279-A309 HydrophobicContact CG1-CB 4.02Å
280	L	98.8	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.4	174.4	-47.2	-178.8	0	0	0	108.4	I193 I194 L198 L228 L229 F243 I244 D245 Y278	I193-L280 CarbonylContact C-O 3.47Å; I193-L280 WeakPolarHBondContact CA-O 3.47Å; I193-L280 WeakPolarHBondContact CG2-O 3.27Å; I194-L280 HydrophobicContact CB-CB 4.28Å; I194-L280 HydrophobicContact CB-CD1 4.47Å; I194-L280 PolarHBondContact N-O 3.24Å; I194-L280 PolarHBondContact O-N 3.33Å; L198-L280 HydrophobicContact CD1-CD1 3.83Å; L198-L280 HydrophobicContact CD1-CG 4.41Å; L228-L280 HydrophobicContact CD2-CD1 3.82Å; L229-L280 HydrophobicContact CD2-CD1 4.08Å; L229-L280 HydrophobicContact CD2-CD2 3.96Å; L229-L280 HydrophobicContact CD2-CG 4.48Å; F243-L280 HydrophobicContact CB-CB 4.46Å; I244-L280 WeakPolarHBondContact O-CA 3.39Å; D245-L280 HydrophobicContact CB-CD2 3.93Å; Y278-L280 HydrophobicContact CD1-CD2 3.91Å; Y278-L280 HydrophobicContact CG-CD2 4.21Å
281	G	98.4	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.6	174.7	0	0	0	0	0	111.6	V192 F243 I244	V192-G281 CarbonylContact O-C 3.51Å; V192-G281 WeakPolarHBondContact O-CA 2.97Å; F243-G281 CarbonylContact C-O 3.6Å; F243-G281 WeakPolarHBondContact CA-O 3.18Å; I244-G281 PolarHBondContact N-O 2.76Å; I244-G281 PolarHBondContact O-N 3.28Å; I244-G281 VanDerWaalsContact O-N 3.07Å
282	D	97.6	Very high	96.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	149.6	171.9	69.4	85.2	0	0	0	111.4	L186 H191 V192 F243 T284 L285 V286	L186-D282 HydrophobicContact CD1-CB 3.71Å; L186-D282 HydrophobicContact CD2-CB 4.21Å; H191-D282 WeakPolarHBondContact CA-OD2 3.39Å; H191-D282 VanDerWaalsContact CB-OD2 3.23Å; H191-D282 WeakPolarHBondContact CB-OD2 3.25Å; H191-D282 IonicContact CE1-OD1 2.64Å; H191-D282 IonicContact CG-OD2 3.93Å; H191-D282 IonicContact ND1-OD1 2.79Å; H191-D282 PolarHBondContact ND1-OD1 3.1Å; H191-D282 IonicContact ND1-OD2 3.09Å; H191-D282 PolarHBondContact ND1-OD2 2.97Å; H191-D282 VanDerWaalsContact ND1-OD2 3.13Å; V192-D282 PolarHBondContact N-OD2 3.17Å; V192-D282 PolarHBondContact O-N 2.97Å; F243-D282 HydrophobicContact CE1-CB 4.44Å; D282-T284 VanDerWaalsContact C-N 3.26Å; D282-T284 PolarHBondContact O-N 2.95Å; D282-T284 VanDerWaalsContact O-N 3.16Å; D282-T284 PolarHBondContact OD1-N 3.27Å; D282-L285 PolarHBondContact O-N 2.73Å; D282-L285 VanDerWaalsContact O-N 3.16Å; D282-L285 WeakPolarHBondContact OD1-CB 3.42Å; D282-L285 PolarHBondContact OD1-N 2.78Å; D282-L285 VanDerWaalsContact OD2-CB 3.3Å; D282-L285 WeakPolarHBondContact OD2-CB 3.32Å; D282-V286 PolarHBondContact O-N 2.93Å
283	R	94.9	Very high	97.1	Very high	104 Å²	104	28.4 Å²	28.4	39%	0.392	15%	0.151	S	C	.	.	H	α-helix	trans	-51.1	-43.2	-172.4	178.1	168.4	-174.7	118.7	1.2	113.7	S230 P242 I244 I287	S230-R283 PolarHBondContact OG-NH1 2.98Å; S230-R283 VanDerWaalsContact OG-NH1 3.07Å; P242-R283 PolarHBondContact O-N 3.4Å; P242-R283 VanDerWaalsContact O-N 3.1Å; I244-R283 HydrophobicContact CD1-CB 4.28Å; I244-R283 HydrophobicContact CD1-CG 4.02Å; R283-I287 HydrophobicContact CG-CD1 3.8Å; R283-I287 WeakPolarHBondContact O-CB 3.28Å; R283-I287 WeakPolarHBondContact O-CD1 3.3Å; R283-I287 VanDerWaalsContact O-CG1 3.28Å; R283-I287 WeakPolarHBondContact O-CG1 3.33Å; R283-I287 PolarHBondContact O-N 3.2Å
284	T	94.1	Very high	97.2	Very high	74 Å²	74	30.2 Å²	30.2	45%	0.454	16%	0.158	S	C	.	.	H	α-helix	trans	-70.4	-47.6	-178.3	-52	0	0	0	0	110.9	D282 V286 I287 D288	D282-T284 VanDerWaalsContact C-N 3.26Å; D282-T284 PolarHBondContact O-N 2.95Å; D282-T284 VanDerWaalsContact O-N 3.16Å; D282-T284 PolarHBondContact OD1-N 3.27Å; T284-V286 VanDerWaalsContact C-N 3.32Å; T284-V286 PolarHBondContact O-N 3.26Å; T284-I287 PolarHBondContact O-N 3.1Å; T284-D288 VanDerWaalsContact CG2-OD2 3.26Å; T284-D288 WeakPolarHBondContact CG2-OD2 3.25Å; T284-D288 VanDerWaalsContact O-CB 3.31Å; T284-D288 WeakPolarHBondContact O-CB 3.13Å; T284-D288 PolarHBondContact O-N 3.1Å
285	L	96.4	Very high	97.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-43.3	178.1	-171.8	74.5	0	0	0	112.2	I140 L150 H191 I193 D282 T289 F290 L311	I140-L285 HydrophobicContact CD1-CD1 4.31Å; L150-L285 HydrophobicContact CD1-CD2 3.64Å; H191-L285 HydrophobicContact CB-CB 4.39Å; H191-L285 HydrophobicContact CB-CD1 3.97Å; H191-L285 HydrophobicContact CB-CD2 4.2Å; H191-L285 HydrophobicContact CB-CG 4.42Å; I193-L285 HydrophobicContact CD1-CD2 3.85Å; I193-L285 HydrophobicContact CG1-CD2 3.6Å; D282-L285 PolarHBondContact O-N 2.73Å; D282-L285 VanDerWaalsContact O-N 3.16Å; D282-L285 WeakPolarHBondContact OD1-CB 3.42Å; D282-L285 PolarHBondContact OD1-N 2.78Å; D282-L285 VanDerWaalsContact OD2-CB 3.3Å; D282-L285 WeakPolarHBondContact OD2-CB 3.32Å; L285-T289 HydrophobicContact CD1-CG2 4.27Å; L285-T289 WeakPolarHBondContact CD1-OG1 3.19Å; L285-T289 WeakPolarHBondContact O-CA 3.42Å; L285-T289 WeakPolarHBondContact O-CB 3.35Å; L285-T289 PolarHBondContact O-N 2.92Å; L285-T289 PolarHBondContact O-OG1 3.48Å; L285-F290 HydrophobicContact CD2-CE2 3.84Å; L285-F290 HydrophobicContact CG-CD2 4.35Å; L285-F290 HydrophobicContact CG-CE2 3.9Å; L285-F290 PolarHBondContact O-N 2.81Å; L285-L311 HydrophobicContact CD1-CD2 4.07Å; L285-L311 HydrophobicContact CD2-CD2 4.24Å; L285-L311 HydrophobicContact CG-CD2 4.2Å
286	V	96.8	Very high	97.3	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-70	-41.8	-178.2	178.4	0	0	0	0	111.7	I244 C249 D282 T284 F290	I244-V286 HydrophobicContact CB-CB 4.23Å; I244-V286 HydrophobicContact CB-CG1 4.17Å; I244-V286 HydrophobicContact CB-CG2 4.22Å; I244-V286 HydrophobicContact CD1-CB 4.28Å; I244-V286 HydrophobicContact CD1-CG1 4.38Å; I244-V286 HydrophobicContact CG2-CB 4.48Å; I244-V286 HydrophobicContact CG2-CG1 3.86Å; C249-V286 HydrophobicContact CB-CG1 4.42Å; D282-V286 PolarHBondContact O-N 2.93Å; T284-V286 VanDerWaalsContact C-N 3.32Å; T284-V286 PolarHBondContact O-N 3.26Å; V286-F290 HydrophobicContact CB-CD2 4.39Å; V286-F290 HydrophobicContact CB-CG 4.48Å; V286-F290 HydrophobicContact CG1-CB 4.47Å; V286-F290 HydrophobicContact CG1-CG 4.36Å; V286-F290 HydrophobicContact CG2-CD1 4.48Å; V286-F290 HydrophobicContact CG2-CD2 4.12Å; V286-F290 HydrophobicContact CG2-CE1 4.35Å; V286-F290 HydrophobicContact CG2-CE2 3.98Å; V286-F290 HydrophobicContact CG2-CG 4.38Å; V286-F290 HydrophobicContact CG2-CZ 4.1Å; V286-F290 WeakPolarHBondContact O-CB 3.3Å; V286-F290 PolarHBondContact O-N 3.5Å
287	I	94.1	Very high	97.1	Very high	94 Å²	94	33.5 Å²	33.5	48%	0.482	18%	0.177	S	C	.	.	H	α-helix	trans	-71.7	-43.8	179.8	-66.5	170.7	0	0	0	111.5	I244 R283 T284	I244-I287 HydrophobicContact CD1-CD1 4.28Å; I244-I287 HydrophobicContact CD1-CG1 4.17Å; R283-I287 HydrophobicContact CG-CD1 3.8Å; R283-I287 WeakPolarHBondContact O-CB 3.28Å; R283-I287 WeakPolarHBondContact O-CD1 3.3Å; R283-I287 VanDerWaalsContact O-CG1 3.28Å; R283-I287 WeakPolarHBondContact O-CG1 3.33Å; R283-I287 PolarHBondContact O-N 3.2Å; T284-I287 PolarHBondContact O-N 3.1Å
288	D	94.1	Very high	96.7	Very high	95 Å²	95	39.4 Å²	39.4	51%	0.508	20%	0.204	S	C	.	.	H	α-helix	trans	-89.6	-20.5	-170.1	-63.2	-9.8	0	0	0	113.6	T284	T284-D288 VanDerWaalsContact CG2-OD2 3.26Å; T284-D288 WeakPolarHBondContact CG2-OD2 3.25Å; T284-D288 VanDerWaalsContact O-CB 3.31Å; T284-D288 WeakPolarHBondContact O-CB 3.13Å; T284-D288 PolarHBondContact O-N 3.1Å
289	T	96.2	Very high	96.4	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.043	21%	0.208	C	C	.	.	H	α-helix	trans	-134.5	-20.6	-169.1	81.1	0	0	0	0	116.8	L285 L311 S312 V313	L285-T289 HydrophobicContact CD1-CG2 4.27Å; L285-T289 WeakPolarHBondContact CD1-OG1 3.19Å; L285-T289 WeakPolarHBondContact O-CA 3.42Å; L285-T289 WeakPolarHBondContact O-CB 3.35Å; L285-T289 PolarHBondContact O-N 2.92Å; L285-T289 PolarHBondContact O-OG1 3.48Å; T289-L311 CarbonylContact O-C 3.57Å; T289-L311 VanDerWaalsContact O-CA 3.24Å; T289-L311 WeakPolarHBondContact O-CA 3.16Å; T289-S312 PolarHBondContact O-N 2.8Å; T289-S312 PolarHBondContact O-OG 2.81Å; T289-V313 HydrophobicContact CG2-CG1 4.01Å
290	F	97.8	Very high	95.9	Very high	9 Å²	9	43.7 Å²	43.7	4%	0.039	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.4	177	-81.2	-135.1	0	0	0	109.8	I193 S246 F250 V279 L285 V286 A309 L311	I193-F290 HydrophobicContact CD1-CE2 4.21Å; I193-F290 HydrophobicContact CD1-CZ 3.97Å; I193-F290 HydrophobicContact CG1-CZ 4.32Å; S246-F290 VanDerWaalsContact CB-CE1 3.43Å; F250-F290 HydrophobicContact CE2-CB 3.67Å; F250-F290 HydrophobicContact CE2-CD1 4.3Å; F250-F290 HydrophobicContact CE2-CG 4.5Å; F250-F290 HydrophobicContact CZ-CB 3.78Å; V279-F290 HydrophobicContact CG1-CE1 4.12Å; V279-F290 HydrophobicContact CG1-CZ 4.29Å; L285-F290 HydrophobicContact CD2-CE2 3.84Å; L285-F290 HydrophobicContact CG-CD2 4.35Å; L285-F290 HydrophobicContact CG-CE2 3.9Å; L285-F290 PolarHBondContact O-N 2.81Å; V286-F290 HydrophobicContact CB-CD2 4.39Å; V286-F290 HydrophobicContact CB-CG 4.48Å; V286-F290 HydrophobicContact CG1-CB 4.47Å; V286-F290 HydrophobicContact CG1-CG 4.36Å; V286-F290 HydrophobicContact CG2-CD1 4.48Å; V286-F290 HydrophobicContact CG2-CD2 4.12Å; V286-F290 HydrophobicContact CG2-CE1 4.35Å; V286-F290 HydrophobicContact CG2-CE2 3.98Å; V286-F290 HydrophobicContact CG2-CG 4.38Å; V286-F290 HydrophobicContact CG2-CZ 4.1Å; V286-F290 WeakPolarHBondContact O-CB 3.3Å; V286-F290 PolarHBondContact O-N 3.5Å; F290-A309 HydrophobicContact CD1-CB 3.75Å; F290-A309 HydrophobicContact CE1-CB 3.39Å; F290-A309 HydrophobicContact CZ-CB 4.19Å; F290-L311 HydrophobicContact CD2-CD1 4.04Å; F290-L311 HydrophobicContact CD2-CD2 4.12Å; F290-L311 HydrophobicContact CD2-CG 3.69Å; F290-L311 HydrophobicContact CE1-CD1 4.49Å; F290-L311 HydrophobicContact CE2-CD1 3.81Å; F290-L311 HydrophobicContact CE2-CD2 3.83Å; F290-L311 HydrophobicContact CE2-CG 3.76Å; F290-L311 HydrophobicContact CG-CD1 4.47Å; F290-L311 HydrophobicContact CG-CG 4.39Å; F290-L311 HydrophobicContact CZ-CD1 4.06Å
291	Q	97.7	Very high	95.3	Very high	106 Å²	106	44.8 Å²	44.8	50%	0.495	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-29.1	176.7	-63.4	-63.8	-62.2	0	0	111.7	F250 V310 S312	F250-Q291 WeakPolarHBondContact CE1-O 3.49Å; Q291-V310 PolarHBondContact N-O 3.11Å; Q291-S312 PolarHBondContact NE2-OG 3.41Å
292	A	97.9	Very high	95.1	Very high	36 Å²	36	45.3 Å²	45.3	30%	0.298	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	154.2	175.4	0	0	0	0	0	110.8	A309 V310	A292-A309 VanDerWaalsContact O-CA 3.24Å; A292-A309 WeakPolarHBondContact O-CA 3.22Å; A292-A309 WeakPolarHBondContact O-CB 3.38Å; A292-V310 HydrophobicContact CB-CB 4.45Å; A292-V310 PolarHBondContact N-O 3.26Å; A292-V310 PolarHBondContact O-N 3Å
293	S	98.3	Very high	94.9	Very high	10 Å²	10	47.2 Å²	47.2	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.7	163.9	-174.9	0	0	0	0	108.5	S246 Y247 G308	S246-S293 WeakPolarHBondContact OG-CB 3.19Å; S246-S293 PolarHBondContact OG-OG 2.78Å; Y247-S293 WeakPolarHBondContact CA-OG 3.44Å; Y247-S293 PolarHBondContact N-OG 3.05Å; S293-G308 CarbonylContact C-O 3.5Å; S293-G308 WeakPolarHBondContact CA-O 3.41Å; S293-G308 PolarHBondContact OG-O 2.84Å
294	F	98.5	Very high	95	Very high	40 Å²	40	42.9 Å²	42.9	18%	0.175	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.9	-163.5	61.2	-93.2	0	0	0	113.4	R3 V5 L296 V307 G308 V310	R3-F294 HydrophobicContact CG-CZ 4.48Å; V5-F294 HydrophobicContact CG2-CE2 4.22Å; V5-F294 HydrophobicContact CG2-CZ 3.95Å; F294-L296 HydrophobicContact CD2-CD2 3.71Å; F294-L296 HydrophobicContact CD2-CG 3.91Å; F294-L296 HydrophobicContact CE2-CD1 4.09Å; F294-L296 HydrophobicContact CE2-CD2 3.95Å; F294-L296 HydrophobicContact CE2-CG 3.91Å; F294-V307 CarbonylContact O-C 3.51Å; F294-V307 WeakPolarHBondContact O-CA 3.13Å; F294-G308 WeakPolarHBondContact CD1-O 3.47Å; F294-G308 PolarHBondContact N-O 3.21Å; F294-G308 PolarHBondContact O-N 3.26Å; F294-V310 HydrophobicContact CE1-CG2 4.03Å
295	L	98.4	Very high	95.2	Very high	26 Å²	26	39.4 Å²	39.4	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.4	168.5	-37.9	177.9	0	0	0	107.5	Y247 A257 T259 P297 V307	Y247-L295 HydrophobicContact CD2-CD2 3.72Å; Y247-L295 HydrophobicContact CD2-CG 4.01Å; Y247-L295 HydrophobicContact CE1-CD1 4.35Å; Y247-L295 HydrophobicContact CE2-CD1 4.14Å; Y247-L295 HydrophobicContact CE2-CD2 3.88Å; Y247-L295 HydrophobicContact CE2-CG 3.62Å; Y247-L295 HydrophobicContact CG-CD2 4.07Å; A257-L295 HydrophobicContact CB-CD1 3.97Å; T259-L295 HydrophobicContact CG2-CD1 4.2Å; T259-L295 HydrophobicContact CG2-CD2 3.89Å; L295-P297 VanDerWaalsContact O-CD 3.24Å; L295-P297 WeakPolarHBondContact O-CD 2.97Å; L295-V307 HydrophobicContact CD2-CB 4.21Å; L295-V307 HydrophobicContact CD2-CG1 3.53Å
296	L	97.5	Very high	95.3	Very high	27 Å²	27	39.3 Å²	39.3	14%	0.141	21%	0.214	C	C	.	.			trans	-115.7	63.3	176.5	-59.9	-176.4	0	0	0	111.3	L39 F294 E298 V299 C305 P306	L39-L296 HydrophobicContact CD2-CD1 4.12Å; F294-L296 HydrophobicContact CD2-CD2 3.71Å; F294-L296 HydrophobicContact CD2-CG 3.91Å; F294-L296 HydrophobicContact CE2-CD1 4.09Å; F294-L296 HydrophobicContact CE2-CD2 3.95Å; F294-L296 HydrophobicContact CE2-CG 3.91Å; L296-E298 WeakPolarHBondContact CA-OE1 3.37Å; L296-E298 WeakPolarHBondContact CB-OE1 3.23Å; L296-E298 WeakPolarHBondContact CD2-OE1 3.37Å; L296-E298 PolarHBondContact O-N 3.02Å; L296-E298 VanDerWaalsContact O-N 3.07Å; L296-V299 HydrophobicContact CB-CB 4.39Å; L296-V299 HydrophobicContact CB-CG2 3.89Å; L296-V299 HydrophobicContact CD1-CG2 4.32Å; L296-V299 PolarHBondContact O-N 2.7Å; L296-C305 WeakPolarHBondContact O-CB 3.1Å; L296-P306 HydrophobicContact CB-CB 4.15Å; L296-P306 HydrophobicContact CB-CG 4.15Å; L296-P306 HydrophobicContact CD1-CB 4.14Å; L296-P306 HydrophobicContact CD1-CG 4.39Å; L296-P306 HydrophobicContact CG-CB 4.4Å; L296-P306 PolarHBondContact N-O 2.79Å
297	P	95.3	Very high	95.4	Very high	63 Å²	63	39.3 Å²	39.3	41%	0.409	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.4	-171.9	28.8	-37.6	0	0	0	114.5	W261 R268 L295	W261-P297 HydrophobicContact CH2-CB 4.25Å; R268-P297 PolarHBondContact NH2-O 3.48Å; L295-P297 VanDerWaalsContact O-CD 3.24Å; L295-P297 WeakPolarHBondContact O-CD 2.97Å
298	E	91.2	Very high	95.6	Very high	124 Å²	124	34.9 Å²	34.9	58%	0.579	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.3	171.8	68.1	-67.7	155.9	0	0	114.4	L296 M300	L296-E298 WeakPolarHBondContact CA-OE1 3.37Å; L296-E298 WeakPolarHBondContact CB-OE1 3.23Å; L296-E298 WeakPolarHBondContact CD2-OE1 3.37Å; L296-E298 PolarHBondContact O-N 3.02Å; L296-E298 VanDerWaalsContact O-N 3.07Å; E298-M300 WeakPolarHBondContact O-CG 3.23Å; E298-M300 PolarHBondContact O-N 2.86Å
299	V	91.6	Very high	95.8	Very high	13 Å²	13	30.3 Å²	30.3	8%	0.079	17%	0.166	C	C	.	.			trans	-77.7	110.4	-179.2	176.5	0	0	0	0	110.5	W7 L39 R268 L296 P306	W7-V299 HydrophobicContact CH2-CG1 4.13Å; W7-V299 HydrophobicContact CZ2-CG1 4.22Å; L39-V299 HydrophobicContact CD2-CG1 4.41Å; R268-V299 PolarHBondContact NH2-O 3.32Å; L296-V299 HydrophobicContact CB-CB 4.39Å; L296-V299 HydrophobicContact CB-CG2 3.89Å; L296-V299 HydrophobicContact CD1-CG2 4.32Å; L296-V299 PolarHBondContact O-N 2.7Å; V299-P306 HydrophobicContact CB-CG 3.84Å; V299-P306 HydrophobicContact CG1-CG 3.74Å; V299-P306 HydrophobicContact CG2-CG 4.33Å
300	M	88.3	Confident	96	Very high	83 Å²	83	31.4 Å²	31.4	41%	0.409	17%	0.173	S	C	.	.			trans	-94	-175.1	-171.7	-69.3	-69	-82.1	0	0	112.7	W7 Q17 R268 E298	W7-M300 WeakPolarHBondContact CH2-O 3.09Å; W7-M300 WeakPolarHBondContact CZ2-O 3.33Å; Q17-M300 WeakPolarHBondContact O-CB 3.16Å; R268-M300 VanDerWaalsContact CZ-SD 3.58Å; E298-M300 WeakPolarHBondContact O-CG 3.23Å; E298-M300 PolarHBondContact O-N 2.86Å
301	G	86.4	Confident	96	Very high	22 Å²	22	31 Å²	31	23%	0.227	17%	0.171	C	C	.	.	S	Bend	trans	100.3	-24.2	177.9	0	0	0	0	0	115.3
302	S	93.2	Very high	96	Very high	12 Å²	12	27.5 Å²	27.5	8%	0.084	16%	0.159	C	C	.	.	S	Bend	trans	-115.4	163	169.3	-177.2	0	0	0	0	110.9	N8 R268 H304	N8-S302 WeakPolarHBondContact O-CB 3.31Å; N8-S302 PolarHBondContact O-OG 3.05Å; R268-S302 PolarHBondContact NH1-O 2.76Å; S302-H304 CarbonylContact C-O 3.45Å; S302-H304 WeakPolarHBondContact CB-O 3.47Å; S302-H304 PolarHBondContact OG-N 3.2Å; S302-H304 VanDerWaalsContact OG-N 3.11Å
303	D	94.6	Very high	95.9	Very high	42 Å²	42	26.1 Å²	26.1	23%	0.225	15%	0.146	C	C	.	.	S	Bend	trans	-73.9	-12.1	163.3	33.3	18.2	0	0	0	112.4	N10 C260 W261 A263	N10-D303 PolarHBondContact ND2-OD1 2.87Å; N10-D303 PolarHBondContact ND2-OD2 3.15Å; C260-D303 WeakPolarHBondContact CA-O 3.47Å; W261-D303 PolarHBondContact N-O 3.03Å; W261-D303 VanDerWaalsContact O-CB 3.31Å; W261-D303 WeakPolarHBondContact O-CB 3.28Å; A263-D303 HydrophobicContact CB-CB 4.19Å
304	H	97.7	Very high	95.9	Very high	13 Å²	13	28 Å²	28	6%	0.06	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-99	159.4	164.3	-62.9	-125.8	0	0	0	112.1	W7 N8 D197 T259 C260 R268 D277 S302	W7-H304 PolarHBondContact NE1-O 3.02Å; N8-H304 HydrophobicContact CB-CB 4.01Å; N8-H304 PolarHBondContact ND2-NE2 3.1Å; D197-H304 IonicContact OD2-CE1 2.7Å; D197-H304 PolarHBondContact OD2-CE1 2.78Å; D197-H304 IonicContact OD2-NE2 3.84Å; T259-H304 CarbonylContact O-C 3.53Å; T259-H304 WeakPolarHBondContact O-CA 3.49Å; C260-H304 PolarHBondContact SG-NE2 2.66Å; R268-H304 PolarHBondContact NH1-O 2.92Å; D277-H304 VanDerWaalsContact CG-ND1 3.32Å; D277-H304 IonicContact OD1-CE1 2.89Å; D277-H304 IonicContact OD1-CG 2.88Å; D277-H304 IonicContact OD1-ND1 2.71Å; D277-H304 PolarHBondContact OD1-ND1 3.4Å; D277-H304 IonicContact OD2-CE1 3.22Å; D277-H304 IonicContact OD2-CG 3.77Å; D277-H304 IonicContact OD2-ND1 2.67Å; D277-H304 PolarHBondContact OD2-ND1 3.23Å; S302-H304 CarbonylContact C-O 3.45Å; S302-H304 WeakPolarHBondContact CB-O 3.47Å; S302-H304 PolarHBondContact OG-N 3.2Å; S302-H304 VanDerWaalsContact OG-N 3.11Å
305	C	97.6	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.161	C	C	.	.			trans	-105.9	160.2	162.7	77.1	0	0	0	0	111.1	T259 W261 L296	T259-C305 PolarHBondContact O-N 3.07Å; W261-C305 HydrophobicContact CH2-CB 4.05Å; W261-C305 HydrophobicContact CZ3-CB 3.86Å; L296-C305 WeakPolarHBondContact O-CB 3.1Å
306	P	98.6	Very high	95.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.			trans	-65.1	155	170.7	-14.7	26.9	0	0	0	112.5	V5 S6 W7 L39 L296 V299	V5-P306 HydrophobicContact CG1-CB 3.99Å; S6-P306 CarbonylContact O-C 3.47Å; S6-P306 VanDerWaalsContact O-CA 3.29Å; S6-P306 WeakPolarHBondContact O-CA 3.5Å; W7-P306 HydrophobicContact CB-CB 4.09Å; W7-P306 HydrophobicContact CB-CG 4.26Å; W7-P306 HydrophobicContact CD2-CG 3.94Å; W7-P306 HydrophobicContact CE3-CG 4.47Å; W7-P306 HydrophobicContact CG-CB 4.17Å; W7-P306 HydrophobicContact CG-CG 3.85Å; L39-P306 HydrophobicContact CD2-CB 3.86Å; L39-P306 HydrophobicContact CD2-CG 3.47Å; L39-P306 VanDerWaalsContact CD2-CG 3.47Å; L296-P306 HydrophobicContact CB-CB 4.15Å; L296-P306 HydrophobicContact CB-CG 4.15Å; L296-P306 HydrophobicContact CD1-CB 4.14Å; L296-P306 HydrophobicContact CD1-CG 4.39Å; L296-P306 HydrophobicContact CG-CB 4.4Å; L296-P306 PolarHBondContact N-O 2.79Å; V299-P306 HydrophobicContact CB-CG 3.84Å; V299-P306 HydrophobicContact CG1-CG 3.74Å; V299-P306 HydrophobicContact CG2-CG 4.33Å
307	V	98.8	Very high	95.7	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.024	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	157.1	168.4	-58.7	0	0	0	0	109.2	V5 S6 T259 D277 V279 F294 L295	V5-V307 CarbonylContact C-O 3.59Å; V5-V307 WeakPolarHBondContact CA-O 3.35Å; S6-V307 PolarHBondContact N-O 2.83Å; S6-V307 PolarHBondContact O-N 3.3Å; T259-V307 HydrophobicContact CG2-CG1 3.45Å; T259-V307 VanDerWaalsContact CG2-CG1 3.45Å; D277-V307 HydrophobicContact CB-CG1 3.89Å; D277-V307 HydrophobicContact CB-CG2 4.01Å; V279-V307 HydrophobicContact CG2-CG2 4.1Å; F294-V307 CarbonylContact O-C 3.51Å; F294-V307 WeakPolarHBondContact O-CA 3.13Å; L295-V307 HydrophobicContact CD2-CB 4.21Å; L295-V307 HydrophobicContact CD2-CG1 3.53Å
308	G	98.6	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	175.7	-179.3	0	0	0	0	0	115.1	V4 S293 F294	V4-G308 CarbonylContact O-C 3.6Å; V4-G308 WeakPolarHBondContact O-CA 3.24Å; S293-G308 CarbonylContact C-O 3.5Å; S293-G308 WeakPolarHBondContact CA-O 3.41Å; S293-G308 PolarHBondContact OG-O 2.84Å; F294-G308 WeakPolarHBondContact CD1-O 3.47Å; F294-G308 PolarHBondContact N-O 3.21Å; F294-G308 PolarHBondContact O-N 3.26Å
309	A	98.7	Very high	96	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.3	175.9	0	0	0	0	0	111.8	R3 V4 V279 F290 A292 L311	R3-A309 WeakPolarHBondContact CA-O 3.21Å; V4-A309 HydrophobicContact CG2-CB 4.1Å; V4-A309 PolarHBondContact N-O 2.67Å; V4-A309 PolarHBondContact O-N 2.57Å; V279-A309 HydrophobicContact CG1-CB 4.02Å; F290-A309 HydrophobicContact CD1-CB 3.75Å; F290-A309 HydrophobicContact CE1-CB 3.39Å; F290-A309 HydrophobicContact CZ-CB 4.19Å; A292-A309 VanDerWaalsContact O-CA 3.24Å; A292-A309 WeakPolarHBondContact O-CA 3.22Å; A292-A309 WeakPolarHBondContact O-CB 3.38Å; A309-L311 HydrophobicContact CB-CD1 4.29Å
310	V	98.6	Very high	96.1	Very high	30 Å²	30	39 Å²	39	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.9	173.6	-174.9	0	0	0	0	108.8	M1 R3 Q291 A292 F294	M1-V310 HydrophobicContact CB-CG1 4.07Å; M1-V310 HydrophobicContact CG-CG1 4.48Å; M1-V310 HydrophobicContact SD-CG1 3.99Å; R3-V310 HydrophobicContact CB-CG2 4.46Å; R3-V310 HydrophobicContact CG-CG2 4.28Å; Q291-V310 PolarHBondContact N-O 3.11Å; A292-V310 HydrophobicContact CB-CB 4.45Å; A292-V310 PolarHBondContact N-O 3.26Å; A292-V310 PolarHBondContact O-N 3Å; F294-V310 HydrophobicContact CE1-CG2 4.03Å
311	L	98.3	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.3	179.9	-71.5	72.2	0	0	0	111.2	M1 L2 V4 L150 I193 L285 T289 F290 A309 V313	M1-L311 CarbonylContact C-O 3.49Å; M1-L311 WeakPolarHBondContact CA-O 3.47Å; M1-L311 WeakPolarHBondContact CB-O 3.45Å; L2-L311 HydrophobicContact CB-CB 4.46Å; L2-L311 PolarHBondContact N-O 3.47Å; L2-L311 PolarHBondContact O-N 3.4Å; V4-L311 HydrophobicContact CG2-CD1 4.4Å; L150-L311 HydrophobicContact CD2-CD2 4.43Å; I193-L311 HydrophobicContact CD1-CD2 4.34Å; L285-L311 HydrophobicContact CD1-CD2 4.07Å; L285-L311 HydrophobicContact CD2-CD2 4.24Å; L285-L311 HydrophobicContact CG-CD2 4.2Å; T289-L311 CarbonylContact O-C 3.57Å; T289-L311 VanDerWaalsContact O-CA 3.24Å; T289-L311 WeakPolarHBondContact O-CA 3.16Å; F290-L311 HydrophobicContact CD2-CD1 4.04Å; F290-L311 HydrophobicContact CD2-CD2 4.12Å; F290-L311 HydrophobicContact CD2-CG 3.69Å; F290-L311 HydrophobicContact CE1-CD1 4.49Å; F290-L311 HydrophobicContact CE2-CD1 3.81Å; F290-L311 HydrophobicContact CE2-CD2 3.83Å; F290-L311 HydrophobicContact CE2-CG 3.76Å; F290-L311 HydrophobicContact CG-CD1 4.47Å; F290-L311 HydrophobicContact CG-CG 4.39Å; F290-L311 HydrophobicContact CZ-CD1 4.06Å; A309-L311 HydrophobicContact CB-CD1 4.29Å; L311-V313 HydrophobicContact CB-CG2 3.92Å; L311-V313 HydrophobicContact CD2-CG2 4.47Å; L311-V313 PolarHBondContact O-N 3.12Å
312	S	97.2	Very high	96.9	Very high	33 Å²	33	35.1 Å²	35.1	23%	0.231	19%	0.192	C	C	.	.	S	Bend	trans	-77.3	42.7	173.3	52.3	0	0	0	0	113.1	T289 Q291	T289-S312 PolarHBondContact O-N 2.8Å; T289-S312 PolarHBondContact O-OG 2.81Å; Q291-S312 PolarHBondContact NE2-OG 3.41Å
313	V	97.1	Very high	96.9	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.036	21%	0.209	C	C	.	.			trans	-114.1	171.8	173.9	-55.1	0	0	0	0	110.9	M1 L2 I140 T289 L311	M1-V313 CarbonylContact C-O 3.58Å; M1-V313 WeakPolarHBondContact CA-O 3.39Å; M1-V313 PolarHBondContact N-O 2.96Å; L2-V313 HydrophobicContact CB-CG2 3.71Å; L2-V313 HydrophobicContact CD2-CG2 4.2Å; I140-V313 HydrophobicContact CB-CB 4.36Å; I140-V313 HydrophobicContact CB-CG2 4.17Å; I140-V313 HydrophobicContact CD1-CG1 4.24Å; I140-V313 HydrophobicContact CG2-CG2 4.04Å; T289-V313 HydrophobicContact CG2-CG1 4.01Å; L311-V313 HydrophobicContact CB-CG2 3.92Å; L311-V313 HydrophobicContact CD2-CG2 4.47Å; L311-V313 PolarHBondContact O-N 3.12Å
314	S	96.8	Very high	96.9	Very high	50 Å²	50	37.6 Å²	37.6	35%	0.35	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.4	165.1	51.5	0	0	0	0	109.8	I140 R141	I140-S314 CarbonylContact C-O 3.38Å; I140-S314 WeakPolarHBondContact CA-O 3.28Å; R141-S314 PolarHBondContact N-O 3.44Å; R141-S314 PolarHBondContact O-N 2.67Å; R141-S314 PolarHBondContact O-OG 2.97Å
315	S	96.5	Very high	96.8	Very high	29 Å²	29	37 Å²	37	20%	0.203	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	146.6	171.5	-179	0	0	0	0	110.6	N89 A90	N89-S315 VanDerWaalsContact O-CB 3.23Å; N89-S315 WeakPolarHBondContact O-CB 3.37Å; N89-S315 PolarHBondContact O-OG 2.88Å; A90-S315 WeakPolarHBondContact CA-OG 3.3Å
316	V	97.8	Very high	96.7	Very high	30 Å²	30	37.2 Å²	37.2	18%	0.182	21%	0.206	C	C	.	.			trans	-121.9	90.5	169	-174.9	0	0	0	0	107.3	K139 R141	K139-V316 HydrophobicContact CB-CB 4.14Å; K139-V316 HydrophobicContact CD-CB 3.82Å; K139-V316 HydrophobicContact CD-CG1 3.73Å; K139-V316 HydrophobicContact CD-CG2 4.39Å; K139-V316 HydrophobicContact CG-CB 3.85Å; K139-V316 HydrophobicContact CG-CG1 4.33Å; K139-V316 HydrophobicContact CG-CG2 4.32Å; K139-V316 PolarHBondContact O-N 3.34Å; R141-V316 HydrophobicContact CB-CG2 3.93Å
317	P	97.8	Very high	96.3	Very high	63 Å²	63	41.8 Å²	41.8	41%	0.409	22%	0.223	S	C	.	.			trans	-64.6	145.4	-171.3	23.3	-31.8	0	0	0	112.6	N89	N89-P317 WeakPolarHBondContact O-CB 3.49Å; N89-P317 WeakPolarHBondContact O-CD 3.4Å
318	A	97.4	Very high	96	Very high	22 Å²	22	46.9 Å²	46.9	18%	0.182	25%	0.245	C	C	.	.			trans	-67	144.3	169.7	0	0	0	0	0	111.2	T91 P92 V93 Q320	T91-A318 HydrophobicContact CG2-CB 4.21Å; T91-A318 PolarHBondContact O-N 3.49Å; P92-A318 WeakPolarHBondContact O-CB 3.19Å; V93-A318 HydrophobicContact CG1-CB 3.93Å; A318-Q320 WeakPolarHBondContact CB-O 3.42Å; A318-Q320 PolarHBondContact O-N 3.37Å
319	K	94.8	Very high	95.5	Very high	216 Å²	216	48 Å²	48	94%	0.939	25%	0.251	S	S	*	.	S	Bend	trans	-66.8	-17.6	179	-65.1	-174	177.1	-175.4	0	113.9
320	Q	93.4	Very high	94.9	Very high	165 Å²	165	52.6 Å²	52.6	77%	0.771	28%	0.281	S	S	*	.	S	Bend	trans	-147.4	145	-179.9	-63.2	-178.8	1.6	0	0	107.8	A318	A318-Q320 WeakPolarHBondContact CB-O 3.42Å; A318-Q320 PolarHBondContact O-N 3.37Å
321	C	95.3	Very high	94.3	Very high	14 Å²	14	55.8 Å²	55.8	10%	0.095	29%	0.294	C	S	.	.			trans	-70.3	143.8	173.1	-49.9	0	0	0	0	110.2	T91 C325 R327 F328	T91-C321 HydrophobicContact CG2-CB 4.33Å; C321-C325 HydrophobicContact CB-CB 3.69Å; C321-R327 PolarHBondContact SG-NH1 2.95Å; C321-F328 HydrophobicContact CB-CE2 3.92Å; C321-F328 HydrophobicContact CB-CZ 4.27Å; C321-F328 WeakPolarHBondContact O-CE2 3.4Å
322	P	95.6	Very high	93.7	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.052	30%	0.298	C	S	.	.			trans	-66.1	158.9	173.3	24.2	-32.6	0	0	0	112.1	Y69 P92 A95 L324 C325	Y69-P322 HydrophobicContact CE1-CG 3.78Å; P92-P322 HydrophobicContact CG-CG 4.22Å; P92-P322 VanDerWaalsContact O-CD 3.27Å; P92-P322 WeakPolarHBondContact O-CD 3.38Å; A95-P322 HydrophobicContact CB-CB 4.4Å; A95-P322 HydrophobicContact CB-CG 3.69Å; P322-L324 PolarHBondContact O-N 2.96Å; P322-C325 WeakPolarHBondContact O-CB 2.98Å; P322-C325 PolarHBondContact O-N 3.04Å
323	P	93.8	Very high	92.4	Very high	68 Å²	68	58.8 Å²	58.8	44%	0.442	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.8	-167.3	-27.3	38.3	0	0	0	116.2	N107 C325	N107-P323 HydrophobicContact CB-CG 4.48Å; N107-P323 WeakPolarHBondContact O-CG 3.37Å; P323-C325 PolarHBondContact O-N 3.41Å
324	L	95.1	Very high	90.3	Very high	38 Å²	38	62.1 Å²	62.1	20%	0.199	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.2	173.7	-172.5	58.3	0	0	0	113.3	Y69 A95 E97 L134 P322 T326	Y69-L324 HydrophobicContact CD1-CB 4.28Å; A95-L324 HydrophobicContact CB-CB 4.27Å; A95-L324 HydrophobicContact CB-CD2 4.2Å; E97-L324 HydrophobicContact CB-CD2 4.34Å; L134-L324 HydrophobicContact CD1-CD2 3.74Å; P322-L324 PolarHBondContact O-N 2.96Å; L324-T326 PolarHBondContact O-N 3.34Å
325	C	96	Very high	88.3	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.007	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-64.2	134	-179.9	-161.3	0	0	0	0	111.7	S68 Y69 C321 P322 P323 R327 F328	S68-C325 WeakPolarHBondContact O-CA 3.5Å; S68-C325 PolarHBondContact O-SG 3.41Å; Y69-C325 HydrophobicContact CD1-CB 4.1Å; Y69-C325 HydrophobicContact CE1-CB 3.46Å; Y69-C325 VanDerWaalsContact CE1-CB 3.46Å; C321-C325 HydrophobicContact CB-CB 3.69Å; P322-C325 WeakPolarHBondContact O-CB 2.98Å; P322-C325 PolarHBondContact O-N 3.04Å; P323-C325 PolarHBondContact O-N 3.41Å; C325-R327 HydrophobicContact CB-CG 4.17Å; C325-R327 PolarHBondContact O-N 3.39Å; C325-F328 HydrophobicContact CB-CD2 3.81Å; C325-F328 HydrophobicContact CB-CE2 3.86Å; C325-F328 PolarHBondContact O-N 3.24Å
326	T	94.4	Very high	86	Confident	4 Å²	4	70.3 Å²	70.3	3%	0.025	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-57.8	-26.8	-176.7	56.3	0	0	0	0	114.3	A61 S68 F70 L324 F328 L329	A61-T326 HydrophobicContact CB-CG2 4.06Å; A61-T326 PolarHBondContact O-OG1 2.81Å; S68-T326 PolarHBondContact O-N 2.93Å; S68-T326 PolarHBondContact O-OG1 2.86Å; S68-T326 VanDerWaalsContact OG-CG2 3.31Å; S68-T326 WeakPolarHBondContact OG-CG2 3.34Å; S68-T326 PolarHBondContact OG-OG1 2.92Å; F70-T326 HydrophobicContact CD2-CG2 3.46Å; F70-T326 VanDerWaalsContact CD2-CG2 3.46Å; F70-T326 HydrophobicContact CE2-CG2 3.92Å; F70-T326 HydrophobicContact CG-CG2 4.36Å; L324-T326 PolarHBondContact O-N 3.34Å; T326-F328 PolarHBondContact O-N 3.06Å; T326-F328 VanDerWaalsContact O-N 3.08Å; T326-L329 HydrophobicContact CG2-CD1 4.05Å; T326-L329 WeakPolarHBondContact O-CB 3.28Å; T326-L329 WeakPolarHBondContact O-CG 3.34Å; T326-L329 PolarHBondContact O-N 3.02Å
327	R	90.8	Very high	83.8	Confident	96 Å²	96	72 Å²	72	36%	0.362	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-63.1	-8.6	174.4	67.7	179.8	62.5	171.6	-2.3	114.4	I62 Y66 D88 C321 C325	I62-R327 HydrophobicContact CD1-CB 4.27Å; Y66-R327 PolarHBondContact O-NH2 3.08Å; D88-R327 IonicContact OD1-NH2 2.79Å; D88-R327 PolarHBondContact OD1-NH2 3.12Å; C321-R327 PolarHBondContact SG-NH1 2.95Å; C325-R327 HydrophobicContact CB-CG 4.17Å; C325-R327 PolarHBondContact O-N 3.39Å
328	F	91.4	Very high	81.7	Confident	111 Å²	111	75.5 Å²	75.5	49%	0.487	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-108.3	4	174.6	-51.3	-53.5	0	0	0	113.9	C321 C325 T326 P330	C321-F328 HydrophobicContact CB-CE2 3.92Å; C321-F328 HydrophobicContact CB-CZ 4.27Å; C321-F328 WeakPolarHBondContact O-CE2 3.4Å; C325-F328 HydrophobicContact CB-CD2 3.81Å; C325-F328 HydrophobicContact CB-CE2 3.86Å; C325-F328 PolarHBondContact O-N 3.24Å; T326-F328 PolarHBondContact O-N 3.06Å; T326-F328 VanDerWaalsContact O-N 3.08Å; F328-P330 WeakPolarHBondContact O-CD 3.5Å
329	L	89.3	Confident	79.6	Confident	24 Å²	24	80.6 Å²	80.6	13%	0.126	43%	0.426	C	S	.	.			trans	-65.1	123	173.8	-72.2	169	0	0	0	109.6	L56 T326 E331 F332 A333	L56-L329 HydrophobicContact CD2-CD1 4.05Å; T326-L329 HydrophobicContact CG2-CD1 4.05Å; T326-L329 WeakPolarHBondContact O-CB 3.28Å; T326-L329 WeakPolarHBondContact O-CG 3.34Å; T326-L329 PolarHBondContact O-N 3.02Å; L329-E331 PolarHBondContact O-N 2.94Å; L329-F332 HydrophobicContact CB-CD2 3.99Å; L329-F332 HydrophobicContact CB-CE2 4.27Å; L329-F332 HydrophobicContact CD1-CD2 4.17Å; L329-F332 HydrophobicContact CD1-CE2 3.68Å; L329-F332 HydrophobicContact CD1-CZ 4.48Å; L329-F332 PolarHBondContact O-N 3.36Å; L329-A333 PolarHBondContact O-N 2.86Å
330	P	85.9	Confident	77.7	Confident	96 Å²	96	76.8 Å²	76.8	62%	0.623	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-53.1	-29.1	178.2	-29.3	36.3	0	0	0	113.9	F328 F332 A333	F328-P330 WeakPolarHBondContact O-CD 3.5Å; P330-F332 PolarHBondContact O-N 2.74Å; P330-A333 PolarHBondContact O-N 3.48Å; P330-A333 VanDerWaalsContact O-N 3.16Å
331	E	85.8	Confident	75.8	Confident	98 Å²	98	74.4 Å²	74.4	46%	0.458	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-56.7	-26.1	174.4	-63.4	88.9	158.5	0	0	113.7	R53 L329	R53-E331 IonicContact CZ-OE1 3.17Å; R53-E331 VanDerWaalsContact CZ-OE1 3.22Å; R53-E331 IonicContact CZ-OE2 3.02Å; R53-E331 IonicContact NE-OE1 2.68Å; R53-E331 PolarHBondContact NE-OE1 3.32Å; R53-E331 IonicContact NE-OE2 3.05Å; R53-E331 VanDerWaalsContact NH2-CD 3.31Å; R53-E331 IonicContact NH2-OE1 2.86Å; R53-E331 PolarHBondContact NH2-OE1 3.09Å; R53-E331 IonicContact NH2-OE2 3.76Å; R53-E331 PolarHBondContact NH2-OE2 2.94Å; L329-E331 PolarHBondContact O-N 2.94Å
332	F	85.2	Confident	73.7	Confident	18 Å²	18	80.8 Å²	80.8	8%	0.079	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-112	4.8	179.6	-49.4	-34.8	0	0	0	113.1	L56 E58 A61 I62 L329 P330 G334 T335	L56-F332 HydrophobicContact CB-CZ 4.49Å; L56-F332 HydrophobicContact CD2-CE2 4.09Å; L56-F332 HydrophobicContact CD2-CZ 4.06Å; L56-F332 HydrophobicContact CG-CE2 4.43Å; L56-F332 HydrophobicContact CG-CZ 3.98Å; E58-F332 HydrophobicContact CB-CD1 3.72Å; E58-F332 HydrophobicContact CB-CE1 4.08Å; E58-F332 HydrophobicContact CB-CG 4.05Å; E58-F332 HydrophobicContact CG-CB 4.26Å; E58-F332 HydrophobicContact CG-CD1 4.31Å; E58-F332 HydrophobicContact CG-CG 4.16Å; E58-F332 VanDerWaalsContact N-CE1 3.26Å; A61-F332 HydrophobicContact CB-CD2 4.32Å; A61-F332 HydrophobicContact CB-CE2 3.53Å; A61-F332 HydrophobicContact CB-CZ 4.15Å; I62-F332 HydrophobicContact CD1-CB 4.15Å; I62-F332 HydrophobicContact CD1-CD2 4.12Å; I62-F332 HydrophobicContact CD1-CG 4.45Å; I62-F332 HydrophobicContact CG1-CD2 4.37Å; L329-F332 HydrophobicContact CB-CD2 3.99Å; L329-F332 HydrophobicContact CB-CE2 4.27Å; L329-F332 HydrophobicContact CD1-CD2 4.17Å; L329-F332 HydrophobicContact CD1-CE2 3.68Å; L329-F332 HydrophobicContact CD1-CZ 4.48Å; L329-F332 PolarHBondContact O-N 3.36Å; P330-F332 PolarHBondContact O-N 2.74Å; F332-G334 VanDerWaalsContact C-N 3.26Å; F332-G334 PolarHBondContact O-N 3.48Å; F332-T335 PolarHBondContact O-OG1 2.72Å
333	A	69.6	Low	71.1	Confident	78 Å²	78	86 Å²	86	65%	0.645	45%	0.452	S	S	*	.	S	Bend	trans	-78.5	-8	179.5	0	0	0	0	0	113.9	L329 P330	L329-A333 PolarHBondContact O-N 2.86Å; P330-A333 PolarHBondContact O-N 3.48Å; P330-A333 VanDerWaalsContact O-N 3.16Å
334	G	54.5	Low	69	Low	75 Å²	75	88.8 Å²	88.8	77%	0.773	47%	0.468	S	S	*	.	S	Bend	trans	-105.4	-11.8	-175.9	0	0	0	0	0	115.9	F332	F332-G334 VanDerWaalsContact C-N 3.26Å; F332-G334 PolarHBondContact O-N 3.48Å
335	T	55.1	Low	66.4	Low	66 Å²	66	92.3 Å²	92.3	41%	0.405	49%	0.493	S	S	.	.	S	Bend	trans	-79.6	147.7	171.7	34.1	0	0	0	0	110.3	E58 F332 L337	E58-T335 WeakPolarHBondContact OE2-CB 3.28Å; E58-T335 WeakPolarHBondContact OE2-CG2 3.25Å; E58-T335 PolarHBondContact OE2-OG1 3.22Å; F332-T335 PolarHBondContact O-OG1 2.72Å; T335-L337 PolarHBondContact O-N 3.11Å
336	Q	47.8	Very low	63.3	Low	185 Å²	185	99.4 Å²	99.4	86%	0.864	53%	0.53	S	S	*	.			trans	-72.3	89	-171.4	-172.4	-177.2	-6.1	0	0	111.6	K338	Q336-K338 PolarHBondContact O-N 3.23Å; Q336-K338 VanDerWaalsContact O-N 3.15Å
337	L	51.7	Low	60.5	Low	66 Å²	66	108.2 Å²	108.2	35%	0.346	57%	0.571	S	S	.	*			trans	-54.1	118.6	172.3	-64.3	175.8	0	0	0	109.9	T335 I339 F342	T335-L337 PolarHBondContact O-N 3.11Å; L337-I339 PolarHBondContact O-N 3.39Å; L337-F342 HydrophobicContact CB-CE2 3.98Å; L337-F342 HydrophobicContact CB-CZ 4.4Å; L337-F342 HydrophobicContact CD1-CE2 4.35Å; L337-F342 HydrophobicContact CD1-CZ 3.92Å
338	K	52.9	Low	57.7	Low	137 Å²	137	112 Å²	112	60%	0.596	59%	0.593	S	S	*	*			trans	-54.1	122.9	177.7	-65.1	177.6	-175.8	171.1	0	109.3	Q336 L340 R341	Q336-K338 PolarHBondContact O-N 3.23Å; Q336-K338 VanDerWaalsContact O-N 3.15Å; K338-L340 PolarHBondContact O-N 2.8Å; K338-R341 PolarHBondContact O-N 2.95Å
339	I	53.8	Low	54.8	Low	129 Å²	129	111.1 Å²	111.1	66%	0.662	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-50.3	-33	-173.1	-70.6	171.2	0	0	0	113.2	L337 R341 F342	L337-I339 PolarHBondContact O-N 3.39Å; I339-R341 PolarHBondContact O-N 3.44Å; I339-R341 VanDerWaalsContact O-N 3.1Å; I339-F342 PolarHBondContact O-N 3.43Å
340	L	54.9	Low	52.1	Low	136 Å²	136	116.3 Å²	116.3	71%	0.712	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-49.6	-32.4	173.4	-69.1	164.3	0	0	0	113.9	K338 F342 L343	K338-L340 PolarHBondContact O-N 2.8Å; L340-F342 PolarHBondContact O-N 3.1Å; L340-L343 PolarHBondContact O-N 2.93Å; L340-L343 VanDerWaalsContact O-N 3.15Å
341	R	53.4	Low	49.4	Very low	115 Å²	115	119.3 Å²	119.3	43%	0.434	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-72.7	-7.7	179.8	-68.1	-173.8	175.3	179.8	-1.9	114.4	E64 K338 I339	E64-R341 IonicContact OE2-CZ 2.73Å; E64-R341 IonicContact OE2-NH2 2.78Å; E64-R341 PolarHBondContact OE2-NH2 2.68Å; K338-R341 PolarHBondContact O-N 2.95Å; I339-R341 PolarHBondContact O-N 3.44Å; I339-R341 VanDerWaalsContact O-N 3.1Å
342	F	50.2	Low	46.7	Very low	147 Å²	147	122.2 Å²	122.2	65%	0.645	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-98.2	-7.2	171	-64.5	-81.3	0	0	0	113.3	L337 I339 L340	L337-F342 HydrophobicContact CB-CE2 3.98Å; L337-F342 HydrophobicContact CB-CZ 4.4Å; L337-F342 HydrophobicContact CD1-CE2 4.35Å; L337-F342 HydrophobicContact CD1-CZ 3.92Å; I339-F342 PolarHBondContact O-N 3.43Å; L340-F342 PolarHBondContact O-N 3.1Å
343	L	42.1	Very low	44.1	Very low	117 Å²	117	130.6 Å²	130.6	61%	0.613	70%	0.703	S	S	*	*			trans	-101.6	90.4	-178.1	-63.9	175.4	0	0	0	109.8	L340 P345	L340-L343 PolarHBondContact O-N 2.93Å; L340-L343 VanDerWaalsContact O-N 3.15Å; L343-P345 WeakPolarHBondContact O-CD 3.13Å
344	V	49.2	Very low	42.3	Very low	128 Å²	128	135.2 Å²	135.2	78%	0.776	71%	0.711	S	S	*	*			trans	-65.1	124.1	165.6	179.9	0	0	0	0	108	L346	V344-L346 PolarHBondContact O-N 2.81Å
345	P	40.9	Very low	41	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	71%	0.709	S	S	*	*			trans	-61.1	120.6	172.1	-21.4	33.7	0	0	0	109.7	L343 E347	L343-P345 WeakPolarHBondContact O-CD 3.13Å; P345-E347 PolarHBondContact O-N 3.03Å
346	L	31.4	Very low	39.8	Very low	149 Å²	149	138.4 Å²	138.4	78%	0.78	73%	0.731	S	S	*	*			trans	-75.7	105.2	167.6	-129.4	90.9	0	0	0	107.3	V344 Q348	V344-L346 PolarHBondContact O-N 2.81Å; L346-Q348 PolarHBondContact O-N 2.8Å
347	E	34.6	Very low	38.9	Very low	190 Å²	190	136.8 Å²	136.8	89%	0.888	73%	0.727	S	S	*	*			trans	-64.9	100.5	168	-70.7	-169.4	151.7	0	0	108.8	P345 S349	P345-E347 PolarHBondContact O-N 3.03Å; E347-S349 PolarHBondContact O-N 3.46Å
348	Q	33	Very low	37.8	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.822	75%	0.746	S	S	*	*			trans	-77.5	109.1	171.8	-67.1	-175.2	-2.7	0	0	108.3	L346	L346-Q348 PolarHBondContact O-N 2.8Å
349	S	29.8	Very low	36.5	Very low	92 Å²	92	142.7 Å²	142.7	64%	0.643	76%	0.755	S	S	*	*			trans	-65	137.2	170.5	46.3	0	0	0	0	110.2	E347 L351	E347-S349 PolarHBondContact O-N 3.46Å; S349-L351 PolarHBondContact O-N 2.91Å
350	P	32	Very low	35.3	Very low	132 Å²	132	142.1 Å²	142.1	86%	0.857	75%	0.753	S	S	*	*			trans	-74.5	99.9	-173.6	28.6	-34.6	0	0	0	111.4
351	L	29.1	Very low	34.1	Very low	159 Å²	159	141.5 Å²	141.5	83%	0.832	75%	0.751	S	S	*	*			trans	-91.3	101.8	168.8	-72	177.1	0	0	0	110.5	S349	S349-L351 PolarHBondContact O-N 2.91Å
352	L	30.2	Very low	33	Very low	159 Å²	159	144.3 Å²	144.3	83%	0.832	77%	0.768	S	S	*	*			trans	11.2	114.7	156.2	-75	153.3	0	0	0	117.6	Q354	L352-Q354 PolarHBondContact O-N 2.56Å
353	E	29.9	Very low	32	Very low	194 Å²	194	144.6 Å²	144.6	91%	0.907	78%	0.782	S	S	*	*			trans	-64.2	128.6	161.5	-62.9	-176.8	119.5	0	0	111.1
354	Q	30.9	Very low	31.3	Very low	175 Å²	175	149.1 Å²	149.1	82%	0.818	79%	0.792	S	S	*	*			trans	-136.2	105.2	157.6	-74.3	-162.5	-20.6	0	0	111.5	L352	L352-Q354 PolarHBondContact O-N 2.56Å
355	S	29	Very low	30.3	Very low	105 Å²	105	149 Å²	149	73%	0.734	79%	0.791	S	S	*	*			trans	31.3	111.8	148.9	58.7	0	0	0	0	119.3
356	A	29.2	Very low	29.7	Very low	104 Å²	104	150.5 Å²	150.5	86%	0.86	79%	0.788	S	S	*	*			trans	-72.5	137.6	164.2	0	0	0	0	0	112.3
357	L	28.8	Very low	29.4	Very low	150 Å²	150	149.2 Å²	149.2	79%	0.785	79%	0.786	S	S	*	*			trans	-134.6	104.3	170.2	-94.1	170.1	0	0	0	112.5
358	Q	28.2	Very low	29	Very low	158 Å²	158	145.6 Å²	145.6	74%	0.738	78%	0.781	S	S	*	*			trans	33.7	131.8	144.5	-65.5	179.9	-22	0	0	123.2
359	H	26.6	Very low	28.7	Very low	169 Å²	169	145.1 Å²	145.1	78%	0.782	78%	0.779	S	S	*	*			trans	71.4	136.1	150.3	-65	-22.3	0	0	0	119
360	N	27.5	Very low	28.5	Very low	118 Å²	118	146.6 Å²	146.6	63%	0.631	78%	0.779	S	S	*	*			cis	112.4	99.3	14.2	-175.5	47.6	0	0	0	112.6
361	N	30.4	Very low	28.2	Very low	123 Å²	123	149.8 Å²	149.8	66%	0.658	78%	0.78	S	S	*	*				175	130.7	123.7	-90.8	-34.5	0	0	0	115.3
362	Q	31.1	Very low	28	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	77%	0.772	S	S	*	*			trans	24.5	127.1	139.1	-52.1	-179.9	9.9	0	0	122.4
363	T	29.2	Very low	27.9	Very low	153 Å²	153	145.7 Å²	145.7	94%	0.939	77%	0.766	S	S	*	*				-140.1	168.7	120.5	-25.7	0	0	0	0	110.1
364	R	27.1	Very low	27.7	Very low	213 Å²	213	143 Å²	143	80%	0.804	76%	0.763	S	S	*	*			trans	-136	179.1	-165.2	178.9	177	169.9	-167.7	-1.5	110.7
365	V	27.6	Very low	27.6	Very low	126 Å²	126	141.6 Å²	141.6	76%	0.764	76%	0.756	S	S	*	*			trans	95.6	147.9	169	-179.6	0	0	0	0	113.6
366	Q	28.1	Very low	27.6	Very low	143 Å²	143	142 Å²	142	67%	0.668	76%	0.758	S	S	*	*			cis	173.9	122.6	-43.1	-121.4	176.9	-52.3	0	0	106.8
367	T	26.4	Very low	27.5	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	76%	0.756	S	S	*	*			trans	27.3	119.8	146.5	52.8	0	0	0	0	122.7
368	C	24.3	Very low	27.6	Very low	114 Å²	114	145.9 Å²	145.9	77%	0.77	76%	0.756	S	S	*	*				172	129.2	122	-95.7	0	0	0	0	110.4
369	Q	26.8	Very low	28.2	Very low	167 Å²	167	144.6 Å²	144.6	78%	0.78	76%	0.761	S	S	*	*				90.6	142.4	66.1	-80.5	-158.2	8	0	0	116
370	N	26.1	Very low	28.3	Very low	123 Å²	123	145.6 Å²	145.6	66%	0.658	76%	0.757	S	S	*	*			trans	88.3	122.3	177	-58.7	-54.4	0	0	0	116
371	K	25.3	Very low	29	Very low	198 Å²	198	146 Å²	146	86%	0.861	77%	0.766	S	S	*	*				71.8	138.4	68.9	-66.7	176.3	-173.8	169.4	0	112.1
372	A	26.3	Very low	29.1	Very low	82 Å²	82	144 Å²	144	68%	0.678	76%	0.762	S	S	*	*			cis	-143.4	153.5	14.8	0	0	0	0	0	110.5
373	Q	26.8	Very low	29.3	Very low	151 Å²	151	144.7 Å²	144.7	71%	0.706	77%	0.765	S	S	*	*				72.3	132.7	76.9	-160.1	-177.7	8.6	0	0	116.4	H375	Q373-H375 WeakPolarHBondContact CG-NE2 3.34Å; Q373-H375 PolarHBondContact NE2-NE2 3.37Å
374	V	26.9	Very low	29.2	Very low	138 Å²	138	142.2 Å²	142.2	84%	0.836	76%	0.761	S	S	*	*			trans	-168.3	159.2	141.1	138.7	0	0	0	0	110.5
375	H	28.8	Very low	29.3	Very low	145 Å²	145	135 Å²	135	67%	0.671	75%	0.752	S	S	*	*			trans	-139.6	171.1	-168.8	-54.1	-41.9	0	0	0	111.5	Q373	Q373-H375 WeakPolarHBondContact CG-NE2 3.34Å; Q373-H375 PolarHBondContact NE2-NE2 3.37Å
376	S	29.4	Very low	29.5	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	76%	0.761	S	S	*	*			cis	-128.7	-120.3	7.4	-165.1	0	0	0	0	111.8
377	T	25.9	Very low	29.6	Very low	134 Å²	134	132 Å²	132	82%	0.822	76%	0.764	S	S	*	*			cis	-137.2	-151.7	4.3	47	0	0	0	0	111.1
378	R	31.8	Very low	29.9	Very low	203 Å²	203	138.8 Å²	138.8	77%	0.766	78%	0.776	S	S	*	*			trans	-155.3	167	-177.1	-135.2	-176.3	-157	164.5	9	109.9
379	P	39.2	Very low	30.2	Very low	130 Å²	130	136.4 Å²	136.4	84%	0.844	77%	0.771	S	S	*	*				-145.3	-162	83.3	38.1	-18.5	0	0	0	115.1
380	R	30.2	Very low	31.1	Very low	190 Å²	190	137.8 Å²	137.8	72%	0.717	78%	0.778	S	S	*	*			trans	-137.7	165.7	-167.5	-126.3	-165.4	-175.9	168.6	1.2	111.2
381	P	41.7	Very low	31.7	Very low	126 Å²	126	141.3 Å²	141.3	82%	0.818	79%	0.787	S	S	*	*				-121.5	-160.7	120.6	5.3	15.5	0	0	0	112.3
382	S	33	Very low	32.3	Very low	82 Å²	82	138.7 Å²	138.7	57%	0.573	78%	0.782	S	S	*	*			trans	-160.4	144.4	-161.3	55.1	0	0	0	0	117.6
383	Q	34.6	Very low	33.1	Very low	187 Å²	187	143.1 Å²	143.1	87%	0.874	79%	0.794	S	S	*	*			trans	74.4	160.1	154.9	-64.7	172	4.7	0	0	117.2
384	A	27.8	Very low	33.8	Very low	101 Å²	101	145.1 Å²	145.1	84%	0.835	80%	0.8	S	S	*	*			cis	-142.8	-179.3	2.9	0	0	0	0	0	110.2
385	G	28.5	Very low	34.4	Very low	61 Å²	61	143.5 Å²	143.5	63%	0.629	80%	0.795	S	S	*	*			cis	165	144.9	-4.6	0	0	0	0	0	112.5
386	S	31.8	Very low	34.8	Very low	137 Å²	137	146.4 Å²	146.4	96%	0.958	80%	0.802	S	S	*	*			trans	64.3	164.9	-178.6	82.7	0	0	0	0	116.1
387	G	30	Very low	35.5	Very low	70 Å²	70	150.3 Å²	150.3	72%	0.722	81%	0.805	S	S	*	*			cis	-174.4	153.9	-2.2	0	0	0	0	0	111.8
388	R	32.4	Very low	36	Very low	263 Å²	263	153.2 Å²	153.2	99%	0.992	81%	0.809	S	S	*	*			trans	-57.6	147.8	-173.7	-66.2	172.2	171.7	170.7	-4.9	114.3
389	G	30.7	Very low	36.2	Very low	65 Å²	65	149.5 Å²	149.5	67%	0.67	81%	0.811	S	S	*	*			trans	-176.1	69.3	170.7	0	0	0	0	0	117.7
390	Q	46.8	Very low	35.8	Very low	196 Å²	196	149.1 Å²	149.1	92%	0.916	81%	0.812	S	S	*	*			trans	-67.6	134.5	167.7	-172.2	178.6	6.7	0	0	110.3
391	K	38	Very low	36	Very low	197 Å²	197	145.3 Å²	145.3	86%	0.857	81%	0.812	S	S	*	*			trans	-135	146.1	179.6	-70.3	-172.4	177.6	-179.6	0	112.2
392	N	38	Very low	35.4	Very low	143 Å²	143	147.4 Å²	147.4	77%	0.765	82%	0.816	S	S	*	*			trans	-92.4	154.2	-167.5	-83.7	-37	0	0	0	114.5	K394	N392-K394 VanDerWaalsContact C-N 3.3Å; N392-K394 PolarHBondContact O-N 3.18Å
393	L	42.7	Very low	35.1	Very low	174 Å²	174	148.8 Å²	148.8	91%	0.911	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	79.8	166.4	-76.6	89.3	0	0	0	111.7
394	K	41.7	Very low	35.1	Very low	193 Å²	193	145.6 Å²	145.6	84%	0.839	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.5	3.6	162.2	-76.9	-158	173.6	-172.1	0	114.8	N392 Y396	N392-K394 VanDerWaalsContact C-N 3.3Å; N392-K394 PolarHBondContact O-N 3.18Å; K394-Y396 VanDerWaalsContact C-N 3.33Å; K394-Y396 PolarHBondContact O-N 3Å
395	S	39.9	Very low	35.1	Very low	105 Å²	105	149.4 Å²	149.4	73%	0.734	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	19.3	-175.7	60.3	0	0	0	0	115.6
396	Y	37.6	Very low	34.9	Very low	206 Å²	206	151.4 Å²	151.4	81%	0.808	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	0.9	-174.8	-92.2	-80.4	0	0	0	115.1	K394	K394-Y396 VanDerWaalsContact C-N 3.33Å; K394-Y396 PolarHBondContact O-N 3Å
397	F	43.2	Very low	34.7	Very low	194 Å²	194	149.7 Å²	149.7	85%	0.851	82%	0.819	S	S	*	*			trans	-140	75.6	-175	-67.8	-73.9	0	0	0	113.5
398	Q	36.1	Very low	35.4	Very low	194 Å²	194	151.5 Å²	151.5	91%	0.907	82%	0.818	S	S	*	*			trans	-144.6	147.2	152.2	-75.7	-159.4	-33.2	0	0	110.2
399	P	37.1	Very low	35.2	Very low	126 Å²	126	146 Å²	146	82%	0.818	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88.9	151.9	-176.8	35.4	-35.1	0	0	0	113.3
400	S	30.6	Very low	35.1	Very low	122 Å²	122	151.3 Å²	151.3	85%	0.853	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-95.9	137.8	174.8	-59.6	0	0	0	0	112.1
401	P	34.6	Very low	34	Very low	110 Å²	110	150.7 Å²	150.7	71%	0.714	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-100	153.3	179.2	36.8	-34	0	0	0	115.2
402	N	28.3	Very low	33.5	Very low	170 Å²	170	148.6 Å²	148.6	91%	0.909	81%	0.814	S	S	*	*			trans	74	158.7	151.2	-69.7	5.7	0	0	0	122
403	C	27.5	Very low	33.2	Very low	110 Å²	110	147.3 Å²	147.3	74%	0.743	81%	0.813	S	S	*	*			trans	-138.4	158	-168.1	163.8	0	0	0	0	108
404	P	33.4	Very low	32.7	Very low	121 Å²	121	143.9 Å²	143.9	79%	0.786	80%	0.804	S	S	*	*			trans	-110.1	150.4	158.6	35.3	-26.2	0	0	0	113.2
405	Q	27.8	Very low	32.6	Very low	180 Å²	180	140.3 Å²	140.3	84%	0.841	80%	0.8	S	S	*	*			trans	-97.9	166.4	-167.2	-53.4	167.1	-68.7	0	0	114.2
406	A	24.7	Very low	32.3	Very low	103 Å²	103	141.1 Å²	141.1	85%	0.851	80%	0.803	S	S	*	*			trans	-153.7	139.8	134.6	0	0	0	0	0	110.9
407	S	28.8	Very low	32.1	Very low	101 Å²	101	139 Å²	139	71%	0.706	81%	0.805	S	S	*	*			trans	-112.2	-175.6	173.6	-34.5	0	0	0	0	108.9
408	P	43.8	Very low	31.4	Very low	109 Å²	109	138.4 Å²	138.4	71%	0.708	81%	0.807	S	S	*	*			cis	-140.7	160.6	38.7	37.6	-15.8	0	0	0	119
409	D	27.4	Very low	30.9	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	80%	0.795	S	S	*	*			trans	37.8	133.7	136.3	-44.5	-25.8	0	0	0	123.9
410	I	28.2	Very low	30.4	Very low	176 Å²	176	131.7 Å²	131.7	90%	0.903	79%	0.79	S	S	*	*			trans	-167.8	157.3	131.2	-99.9	157.7	0	0	0	109.5
411	E	24.6	Very low	30.1	Very low	182 Å²	182	132.5 Å²	132.5	85%	0.85	78%	0.784	S	S	*	*			trans	-96.1	-177.4	-162.2	-62.8	-174.1	103	0	0	117.4
412	L	28.4	Very low	29.7	Very low	154 Å²	154	134.9 Å²	134.9	81%	0.806	79%	0.787	S	S	*	*			trans	-38.6	164	170.3	-96.8	79.3	0	0	0	116.6
413	P	30.1	Very low	29.5	Very low	115 Å²	115	132.8 Å²	132.8	75%	0.747	78%	0.781	S	S	*	*			cis	-152.4	-179.5	44.1	44.9	-24.5	0	0	0	119.6
414	S	33.3	Very low	29.9	Very low	102 Å²	102	132.6 Å²	132.6	71%	0.713	78%	0.778	S	S	*	*			trans	-84.8	151.5	154.8	57.5	0	0	0	0	110.8
415	P	39.8	Very low	29.5	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	78%	0.782	S	S	*	*				-147.3	-152.1	93.5	42.7	-24.6	0	0	0	109.9
416	P	33.8	Very low	29.4	Very low	122 Å²	122	134.1 Å²	134.1	79%	0.792	78%	0.781	S	S	*	*			cis	-128.1	-165.6	-14.7	42.4	-25.3	0	0	0	113.6
417	L	33.6	Very low	30.3	Very low	163 Å²	163	134 Å²	134	85%	0.853	77%	0.772	S	S	*	*			trans	-149.1	129.4	169.1	-153.8	178.4	0	0	0	108.8
418	M	26.8	Very low	30.3	Very low	180 Å²	180	137 Å²	137	89%	0.887	77%	0.774	S	S	*	*			trans	-161.4	151.9	173.7	-90.3	-132.5	144.6	0	0	109.9
419	S	25.8	Very low	29.6	Very low	94 Å²	94	140.1 Å²	140.1	66%	0.657	78%	0.779	S	S	*	*			cis	-154	170.5	0.6	53.9	0	0	0	0	111.6
420	A	26.5	Very low	29.6	Very low	85 Å²	85	141.9 Å²	141.9	70%	0.702	78%	0.783	S	S	*	*			trans	35.2	153	141.6	0	0	0	0	0	122.5
421	L	24.9	Very low	29.5	Very low	140 Å²	140	137.3 Å²	137.3	73%	0.733	77%	0.771	S	S	*	*			cis	-166.6	149.3	-12.9	-102.4	165.7	0	0	0	104.2
422	M	26.3	Very low	29.7	Very low	160 Å²	160	135.3 Å²	135.3	79%	0.788	77%	0.771	S	S	*	*				-177.2	156.8	80.4	-87.3	-61.3	175.1	0	0	110.8
423	T	24.8	Very low	29.5	Very low	125 Å²	125	132 Å²	132	77%	0.767	77%	0.766	S	S	*	*			trans	-94.9	-168.1	166.7	55.3	0	0	0	0	109.2
424	P	36	Very low	29.4	Very low	106 Å²	106	135.8 Å²	135.8	69%	0.688	77%	0.771	S	S	*	*			cis	-137.9	169.8	-2	41.5	-24.1	0	0	0	116.9
425	K	24.5	Very low	29.2	Very low	202 Å²	202	137.1 Å²	137.1	88%	0.878	77%	0.774	S	S	*	*				-177.4	136.2	117.5	-97.6	166.8	-176.6	-177.1	0	113.2
426	T	26.3	Very low	28.7	Very low	131 Å²	131	138.3 Å²	138.3	80%	0.804	78%	0.779	S	S	*	*			trans	-130.8	-172.4	171.7	48.7	0	0	0	0	107
427	P	42.2	Very low	28.4	Very low	102 Å²	102	142.3 Å²	142.3	66%	0.662	78%	0.784	S	S	*	*			cis	-93.2	-137.3	-13.1	14.3	9.6	0	0	0	110.9
428	E	28.9	Very low	28	Very low	164 Å²	164	138 Å²	138	77%	0.766	78%	0.778	S	S	*	*			cis	-141.8	146.3	11.8	-75.9	147.1	-140	0	0	107.5
429	E	29.6	Very low	28.1	Very low	174 Å²	174	141.4 Å²	141.4	81%	0.813	78%	0.781	S	S	*	*				65.6	134.3	65.8	-63.9	-177.9	168.9	0	0	113.3
430	E	27.2	Very low	28.2	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	79%	0.788	S	S	*	*			cis	-153.2	-167.5	13.6	-140.4	-164.5	158.9	0	0	114.9
431	A	26.1	Very low	28.8	Very low	79 Å²	79	146.4 Å²	146.4	65%	0.653	79%	0.793	S	S	*	*			trans	-86.1	-169.9	-175.8	0	0	0	0	0	113.4
432	V	28.8	Very low	29.1	Very low	141 Å²	141	144.6 Å²	144.6	86%	0.855	80%	0.798	S	S	*	*			cis	-157.7	166	-9.2	101.9	0	0	0	0	112.1
433	A	25.3	Very low	29.5	Very low	83 Å²	83	140.5 Å²	140.5	69%	0.686	79%	0.785	S	S	*	*			trans	-53.9	160.1	-172.9	0	0	0	0	0	122.6
434	K	27.5	Very low	30.1	Very low	196 Å²	196	140.8 Å²	140.8	85%	0.852	78%	0.778	S	S	*	*				171.4	124.1	112.4	-95.6	178.7	179	174.8	0	118.4
435	V	29.3	Very low	30.2	Very low	129 Å²	129	139.8 Å²	139.8	78%	0.782	78%	0.779	S	S	*	*				48.7	123.6	127.1	-176.2	0	0	0	0	122.8
436	V	29	Very low	30.7	Very low	143 Å²	143	138 Å²	138	87%	0.867	77%	0.771	S	S	*	*				-171.8	159.8	120.3	146.7	0	0	0	0	110.7
437	K	27.5	Very low	31.6	Very low	206 Å²	206	136.2 Å²	136.2	90%	0.896	76%	0.756	S	S	*	*			trans	-93.3	156.6	-172.7	-59	169.8	177.1	173.4	0	114.4
438	G	25	Very low	31.8	Very low	72 Å²	72	138.7 Å²	138.7	74%	0.742	76%	0.759	S	S	*	*			trans	167.9	121.7	150	0	0	0	0	0	118.1
439	R	28.2	Very low	32.6	Very low	253 Å²	253	138.6 Å²	138.6	96%	0.955	76%	0.756	S	S	*	*			trans	53.8	113	167.7	-65.1	178.1	173	168.7	-2.9	117
440	A	28.5	Very low	33.6	Very low	95 Å²	95	136.9 Å²	136.9	79%	0.785	75%	0.748	S	S	*	*			cis	91.2	109.8	38	0	0	0	0	0	116.1
441	K	38.6	Very low	34.9	Very low	188 Å²	188	132.5 Å²	132.5	82%	0.817	73%	0.734	S	S	*	*			trans	57.2	95.4	151.7	-62.5	-170.2	173.2	-171.2	0	119.4
442	A	30.9	Very low	36	Very low	102 Å²	102	137.2 Å²	137.2	84%	0.843	74%	0.735	S	S	*	*	S	Bend	trans	-155.7	-22.6	155.4	0	0	0	0	0	114.9
443	S	34.6	Very low	37.2	Very low	74 Å²	74	133.8 Å²	133.8	52%	0.517	71%	0.714	S	S	.	*	S	Bend	trans	-88	-42.6	-168.8	43.1	0	0	0	0	115.7	A445 K446	S443-A445 PolarHBondContact O-N 3.2Å; S443-K446 PolarHBondContact O-N 3.37Å
444	E	39.1	Very low	38.7	Very low	132 Å²	132	133.1 Å²	133.1	62%	0.617	70%	0.704	S	S	*	*	H	α-helix	trans	-56	-28	-162.5	-63.5	163.9	138.1	0	0	114.5	K446	E444-K446 VanDerWaalsContact C-N 3.32Å; E444-K446 PolarHBondContact O-N 3.14Å
445	A	37.6	Very low	40.4	Very low	85 Å²	85	129.7 Å²	129.7	70%	0.702	69%	0.69	S	S	*	*	H	α-helix	trans	-77.4	-7.7	179.2	0	0	0	0	0	115.2	S443	S443-A445 PolarHBondContact O-N 3.2Å
446	K	35.5	Very low	41.4	Very low	165 Å²	165	129.7 Å²	129.7	72%	0.717	68%	0.676	S	S	*	*	H	α-helix	trans	-91.3	-48.9	170.8	-80.8	-172.4	172.6	-176.8	0	111.7	S443 E444 E448 K449 E450	S443-K446 PolarHBondContact O-N 3.37Å; E444-K446 VanDerWaalsContact C-N 3.32Å; E444-K446 PolarHBondContact O-N 3.14Å; K446-E448 PolarHBondContact O-N 3.04Å; K446-K449 PolarHBondContact O-N 3.09Å; K446-E450 PolarHBondContact O-N 2.77Å
447	D	45	Very low	42.6	Very low	92 Å²	92	130.2 Å²	130.2	49%	0.492	67%	0.666	S	S	.	*	H	α-helix	trans	-57.7	-45.7	-176	-70.9	-62	0	0	0	112.5	K449 E450 V451	D447-K449 PolarHBondContact O-N 3.05Å; D447-E450 PolarHBondContact O-N 2.94Å; D447-V451 VanDerWaalsContact O-CB 3.3Å; D447-V451 WeakPolarHBondContact O-CB 3.33Å; D447-V451 VanDerWaalsContact O-CG2 3.27Å; D447-V451 WeakPolarHBondContact O-CG2 3.47Å; D447-V451 PolarHBondContact O-N 2.87Å
448	E	45.6	Very low	43.9	Very low	154 Å²	154	124.7 Å²	124.7	72%	0.72	65%	0.654	S	S	*	*	H	α-helix	trans	-57.3	-36.5	176.8	-76.4	-157.1	134.5	0	0	112.9	K446 R452	K446-E448 PolarHBondContact O-N 3.04Å; E448-R452 WeakPolarHBondContact O-CB 3.34Å; E448-R452 PolarHBondContact O-N 2.79Å
449	K	45.1	Very low	45.2	Very low	163 Å²	163	125.1 Å²	125.1	71%	0.709	64%	0.642	S	S	*	*	H	α-helix	trans	-75.7	-40.2	-178.4	-148.8	172.8	-170.4	176.4	0	110.8	K446 D447 T453	K446-K449 PolarHBondContact O-N 3.09Å; D447-K449 PolarHBondContact O-N 3.05Å; K449-T453 WeakPolarHBondContact O-CG2 3.31Å; K449-T453 PolarHBondContact O-N 3.01Å; K449-T453 PolarHBondContact O-OG1 3.04Å
450	E	50.4	Low	46.2	Very low	138 Å²	138	119.2 Å²	119.2	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-68.5	-50.2	178	-168.5	143.4	-154.4	0	0	111.3	K446 D447 R452 T453 S454	K446-E450 PolarHBondContact O-N 2.77Å; D447-E450 PolarHBondContact O-N 2.94Å; E450-R452 VanDerWaalsContact C-N 3.34Å; E450-R452 PolarHBondContact O-N 3.36Å; E450-T453 PolarHBondContact O-N 2.9Å; E450-T453 VanDerWaalsContact O-N 3.07Å; E450-T453 PolarHBondContact O-OG1 2.9Å; E450-S454 PolarHBondContact O-N 2.83Å
451	V	55.6	Low	47.1	Very low	92 Å²	92	117.9 Å²	117.9	56%	0.558	62%	0.618	S	S	*	*	H	α-helix	trans	-58.1	-41.5	174.2	173	0	0	0	0	111.8	D447 T453 S454 F455	D447-V451 VanDerWaalsContact O-CB 3.3Å; D447-V451 WeakPolarHBondContact O-CB 3.33Å; D447-V451 VanDerWaalsContact O-CG2 3.27Å; D447-V451 WeakPolarHBondContact O-CG2 3.47Å; D447-V451 PolarHBondContact O-N 2.87Å; V451-T453 PolarHBondContact O-N 3.09Å; V451-S454 WeakPolarHBondContact CA-OG 3.45Å; V451-S454 PolarHBondContact O-N 2.96Å; V451-S454 PolarHBondContact O-OG 2.98Å; V451-F455 WeakPolarHBondContact O-CB 3.35Å; V451-F455 PolarHBondContact O-N 2.64Å
452	R	48.3	Very low	47.6	Very low	179 Å²	179	111.6 Å²	111.6	68%	0.675	61%	0.606	S	S	*	*	H	α-helix	trans	-67.7	-35	176.2	-170.7	168.2	173.9	177.8	-1.2	112	E448 E450 W456	E448-R452 WeakPolarHBondContact O-CB 3.34Å; E448-R452 PolarHBondContact O-N 2.79Å; E450-R452 VanDerWaalsContact C-N 3.34Å; E450-R452 PolarHBondContact O-N 3.36Å; R452-W456 VanDerWaalsContact O-CD1 3.22Å; R452-W456 PolarHBondContact O-N 2.83Å; R452-W456 VanDerWaalsContact O-N 3.11Å
453	T	54.1	Low	48.7	Very low	69 Å²	69	112.8 Å²	112.8	42%	0.423	61%	0.605	S	S	.	*	H	α-helix	trans	-74.2	-31.3	173.7	63.5	0	0	0	0	113.9	K449 E450 V451 K457	K449-T453 WeakPolarHBondContact O-CG2 3.31Å; K449-T453 PolarHBondContact O-N 3.01Å; K449-T453 PolarHBondContact O-OG1 3.04Å; E450-T453 PolarHBondContact O-N 2.9Å; E450-T453 VanDerWaalsContact O-N 3.07Å; E450-T453 PolarHBondContact O-OG1 2.9Å; V451-T453 PolarHBondContact O-N 3.09Å; T453-K457 WeakPolarHBondContact O-CB 3.43Å; T453-K457 WeakPolarHBondContact O-CD 3.38Å; T453-K457 VanDerWaalsContact O-CG 3.22Å; T453-K457 WeakPolarHBondContact O-CG 3.38Å; T453-K457 PolarHBondContact O-N 3.08Å
454	S	57.4	Low	49.9	Very low	68 Å²	68	116.1 Å²	116.1	48%	0.476	62%	0.616	S	S	.	*	H	α-helix	trans	-71.9	-39.4	173.7	67	0	0	0	0	111.4	E450 V451 K457 S458	E450-S454 PolarHBondContact O-N 2.83Å; V451-S454 WeakPolarHBondContact CA-OG 3.45Å; V451-S454 PolarHBondContact O-N 2.96Å; V451-S454 PolarHBondContact O-OG 2.98Å; S454-K457 PolarHBondContact O-N 2.88Å; S454-S458 PolarHBondContact O-N 2.69Å
455	F	62.5	Low	51.1	Low	124 Å²	124	121.7 Å²	121.7	54%	0.544	63%	0.632	S	S	.	*	H	α-helix	trans	-57.4	-52.4	171.4	-177.4	-96.8	0	0	0	111.8	V451 K457 S458 V459	V451-F455 WeakPolarHBondContact O-CB 3.35Å; V451-F455 PolarHBondContact O-N 2.64Å; F455-K457 VanDerWaalsContact C-N 3.33Å; F455-K457 PolarHBondContact O-N 3.32Å; F455-S458 WeakPolarHBondContact O-CA 3.22Å; F455-S458 WeakPolarHBondContact O-CB 3.37Å; F455-S458 PolarHBondContact O-N 3.06Å; F455-V459 HydrophobicContact CD1-CG2 4.19Å; F455-V459 HydrophobicContact CE1-CG2 3.82Å; F455-V459 HydrophobicContact CE2-CG2 4.29Å; F455-V459 HydrophobicContact CZ-CG2 3.88Å; F455-V459 WeakPolarHBondContact O-CG2 3.36Å; F455-V459 PolarHBondContact O-N 3.02Å
456	W	51.1	Low	53.1	Low	130 Å²	130	120.7 Å²	120.7	49%	0.492	62%	0.617	S	S	.	*	H	α-helix	trans	-66.5	-30.5	177.9	-78.9	104.8	0	0	0	113.3	R452 S458 V459 L460	R452-W456 VanDerWaalsContact O-CD1 3.22Å; R452-W456 PolarHBondContact O-N 2.83Å; R452-W456 VanDerWaalsContact O-N 3.11Å; W456-S458 VanDerWaalsContact C-N 3.33Å; W456-V459 HydrophobicContact CE3-CB 4.44Å; W456-V459 HydrophobicContact CE3-CG1 4.29Å; W456-V459 HydrophobicContact CZ3-CG1 4.2Å; W456-V459 PolarHBondContact O-N 3.26Å; W456-L460 HydrophobicContact CB-CD1 4.48Å; W456-L460 HydrophobicContact CE3-CD1 4.2Å; W456-L460 HydrophobicContact CE3-CD2 4.41Å; W456-L460 HydrophobicContact CE3-CG 4.11Å; W456-L460 WeakPolarHBondContact O-CB 3.46Å; W456-L460 VanDerWaalsContact O-CG 3.24Å; W456-L460 WeakPolarHBondContact O-CG 3.49Å; W456-L460 PolarHBondContact O-N 3.35Å
457	K	54.3	Low	55.6	Low	154 Å²	154	114.1 Å²	114.1	67%	0.67	59%	0.591	S	S	*	*	H	α-helix	trans	-65.1	-34.3	169.4	-76.8	168.4	-177.6	172.6	0	112.6	T453 S454 F455 A461	T453-K457 WeakPolarHBondContact O-CB 3.43Å; T453-K457 WeakPolarHBondContact O-CD 3.38Å; T453-K457 VanDerWaalsContact O-CG 3.22Å; T453-K457 WeakPolarHBondContact O-CG 3.38Å; T453-K457 PolarHBondContact O-N 3.08Å; S454-K457 PolarHBondContact O-N 2.88Å; F455-K457 VanDerWaalsContact C-N 3.33Å; F455-K457 PolarHBondContact O-N 3.32Å; K457-A461 WeakPolarHBondContact O-CB 3.39Å; K457-A461 PolarHBondContact O-N 3.21Å
458	S	54.1	Low	57.8	Low	90 Å²	90	114.5 Å²	114.5	63%	0.629	59%	0.593	S	S	*	*	H	α-helix	trans	-72.1	-38.3	174.7	-167.8	0	0	0	0	112.5	S454 F455 W456	S454-S458 PolarHBondContact O-N 2.69Å; F455-S458 WeakPolarHBondContact O-CA 3.22Å; F455-S458 WeakPolarHBondContact O-CB 3.37Å; F455-S458 PolarHBondContact O-N 3.06Å; W456-S458 VanDerWaalsContact C-N 3.33Å
459	V	52.3	Low	60	Low	80 Å²	80	107.2 Å²	107.2	49%	0.485	56%	0.559	S	S	.	*	H	α-helix	trans	-79.2	-32.2	-179.4	173.5	0	0	0	0	112.8	F455 W456	F455-V459 HydrophobicContact CD1-CG2 4.19Å; F455-V459 HydrophobicContact CE1-CG2 3.82Å; F455-V459 HydrophobicContact CE2-CG2 4.29Å; F455-V459 HydrophobicContact CZ-CG2 3.88Å; F455-V459 WeakPolarHBondContact O-CG2 3.36Å; F455-V459 PolarHBondContact O-N 3.02Å; W456-V459 HydrophobicContact CE3-CB 4.44Å; W456-V459 HydrophobicContact CE3-CG1 4.29Å; W456-V459 HydrophobicContact CZ3-CG1 4.2Å; W456-V459 PolarHBondContact O-N 3.26Å
460	L	49.6	Very low	61.9	Low	129 Å²	129	102.5 Å²	102.5	68%	0.675	56%	0.557	S	S	*	*	S	Bend	trans	-90.3	-1.6	176.7	-61	171.6	0	0	0	113.2	W456 G462	W456-L460 HydrophobicContact CB-CD1 4.48Å; W456-L460 HydrophobicContact CE3-CD1 4.2Å; W456-L460 HydrophobicContact CE3-CD2 4.41Å; W456-L460 HydrophobicContact CE3-CG 4.11Å; W456-L460 WeakPolarHBondContact O-CB 3.46Å; W456-L460 VanDerWaalsContact O-CG 3.24Å; W456-L460 WeakPolarHBondContact O-CG 3.49Å; W456-L460 PolarHBondContact O-N 3.35Å; L460-G462 VanDerWaalsContact C-N 3.3Å; L460-G462 PolarHBondContact O-N 3.11Å
461	A	48.2	Very low	63.6	Low	68 Å²	68	98.3 Å²	98.3	56%	0.562	55%	0.55	S	S	*	*	S	Bend	trans	-68.6	91	164.3	0	0	0	0	0	108.9	K457	K457-A461 WeakPolarHBondContact O-CB 3.39Å; K457-A461 PolarHBondContact O-N 3.21Å
462	G	47.6	Very low	65.2	Low	55 Å²	55	96.1 Å²	96.1	57%	0.567	53%	0.534	S	S	*	.			trans	-51.5	157	175.7	0	0	0	0	0	112.6	L460 L464	L460-G462 VanDerWaalsContact C-N 3.3Å; L460-G462 PolarHBondContact O-N 3.11Å; G462-L464 PolarHBondContact O-N 3.4Å
463	P	55.6	Low	67.1	Low	128 Å²	128	97.3 Å²	97.3	83%	0.831	54%	0.538	S	S	*	.	S	Bend	trans	-48.6	131	-165.2	18.1	-32.5	0	0	0	112.7	R465	P463-R465 PolarHBondContact O-N 3.28Å; P463-R465 VanDerWaalsContact O-N 3.09Å
464	L	58.4	Low	68.8	Low	144 Å²	144	96.9 Å²	96.9	75%	0.754	53%	0.532	S	S	*	.			trans	-31	111.3	-177.8	-90	162.5	0	0	0	111.9	G462 T466	G462-L464 PolarHBondContact O-N 3.4Å; L464-T466 PolarHBondContact O-N 3.48Å
465	R	64.8	Low	70.3	Confident	248 Å²	248	97.5 Å²	97.5	94%	0.936	53%	0.534	S	S	*	.			trans	-45.2	110	-173.8	-74.2	-171.7	179.2	-170.6	0.3	110.2	P463	P463-R465 PolarHBondContact O-N 3.28Å; P463-R465 VanDerWaalsContact O-N 3.09Å
466	T	79.3	Confident	71.6	Confident	65 Å²	65	92 Å²	92	40%	0.399	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-51.8	122.8	-178.7	-55.7	0	0	0	0	109.5	L464 L468 P475 C476 Y493	L464-T466 PolarHBondContact O-N 3.48Å; T466-L468 PolarHBondContact O-N 3.16Å; T466-P475 HydrophobicContact CG2-CB 3.93Å; T466-C476 HydrophobicContact CG2-CB 4.4Å; T466-C476 WeakPolarHBondContact CG2-O 3.24Å; T466-Y493 HydrophobicContact CG2-CD1 4.49Å; T466-Y493 HydrophobicContact CG2-CE1 4.44Å
467	P	89.3	Confident	73.4	Confident	27 Å²	27	87.8 Å²	87.8	18%	0.175	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-62.2	140.7	-176.1	25.9	-33.7	0	0	0	110	C476 Y493 F511 L513	P467-C476 HydrophobicContact CG-CB 4.23Å; P467-C476 VanDerWaalsContact O-CB 3.25Å; P467-C476 WeakPolarHBondContact O-CB 3.5Å; P467-C476 PolarHBondContact O-N 3.5Å; P467-C476 PolarHBondContact O-SG 2.7Å; P467-Y493 VanDerWaalsContact CD-CD1 3.47Å; P467-Y493 VanDerWaalsContact CD-CE1 3.49Å; P467-Y493 HydrophobicContact CG-CD1 3.67Å; P467-Y493 HydrophobicContact CG-CD2 3.7Å; P467-Y493 HydrophobicContact CG-CE1 4.15Å; P467-Y493 HydrophobicContact CG-CE2 4.18Å; P467-Y493 HydrophobicContact CG-CG 3.39Å; P467-F511 HydrophobicContact CB-CE1 4.41Å; P467-F511 HydrophobicContact CB-CZ 4.18Å; P467-F511 HydrophobicContact CG-CE1 4.48Å; P467-L513 HydrophobicContact CB-CD2 4.05Å; P467-L513 HydrophobicContact CG-CD2 4.18Å
468	L	90.6	Very high	75.1	Confident	99 Å²	99	83.9 Å²	83.9	52%	0.518	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-81.2	138.1	176.5	-55.9	-177.2	0	0	0	109.7	T466 E474 P475	T466-L468 PolarHBondContact O-N 3.16Å; L468-E474 CarbonylContact C-O 3.6Å; L468-E474 VanDerWaalsContact CA-O 3.28Å; L468-E474 WeakPolarHBondContact CA-O 3.35Å; L468-P475 HydrophobicContact CD2-CG 4.09Å
469	C	90.4	Very high	76.7	Confident	2 Å²	2	85.9 Å²	85.9	1%	0.014	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-71.5	140.2	179.3	68.5	0	0	0	0	111.2	G471 H472 R473 E474 C495 F511	C469-G471 VanDerWaalsContact C-N 3.26Å; C469-G471 PolarHBondContact O-N 2.83Å; C469-H472 PolarHBondContact SG-N 2.92Å; C469-R473 VanDerWaalsContact O-CA 3.24Å; C469-R473 WeakPolarHBondContact O-CA 3.47Å; C469-R473 PolarHBondContact O-N 3.45Å; C469-E474 PolarHBondContact N-O 3.26Å; C469-E474 PolarHBondContact SG-N 2.94Å; C469-C495 HydrophobicContact CB-CB 3.73Å; C469-C495 VanDerWaalsContact SG-SG 3.68Å; C469-F511 HydrophobicContact CB-CB 3.91Å; C469-F511 HydrophobicContact CB-CD1 4.24Å; C469-F511 HydrophobicContact CB-CG 4.05Å
470	G	85.6	Confident	78.4	Confident	64 Å²	64	85.5 Å²	85.5	66%	0.66	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.4	-175.7	0	0	0	0	0	114.8	F511	G470-F511 VanDerWaalsContact N-CD2 3.31Å
471	G	86.8	Confident	80.3	Confident	50 Å²	50	80.7 Å²	80.7	52%	0.515	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-51.6	179.6	0	0	0	0	0	113.7	C469 C509	C469-G471 VanDerWaalsContact C-N 3.26Å; C469-G471 PolarHBondContact O-N 2.83Å; G471-C509 PolarHBondContact N-SG 3.37Å
472	H	89	Confident	82	Confident	45 Å²	45	86.6 Å²	86.6	21%	0.208	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-8.1	-169.3	-34.9	137.6	0	0	0	113.8	C469 E474 C495 R497 S507	C469-H472 PolarHBondContact SG-N 2.92Å; H472-E474 HydrophobicContact CB-CB 4.45Å; H472-E474 HydrophobicContact CB-CG 3.89Å; H472-E474 IonicContact CG-OE2 3.58Å; H472-E474 IonicContact ND1-OE2 3.47Å; H472-E474 PolarHBondContact ND1-OE2 2.92Å; H472-E474 PolarHBondContact O-N 3.39Å; H472-C495 VanDerWaalsContact CE1-SG 3.52Å; H472-C495 PolarHBondContact ND1-SG 3.42Å; H472-C495 VanDerWaalsContact ND1-SG 3.39Å; H472-R497 VanDerWaalsContact CE1-CD 3.47Å; H472-R497 WeakPolarHBondContact CE1-CD 3.34Å; H472-R497 VanDerWaalsContact ND1-CD 3.27Å; H472-R497 WeakPolarHBondContact ND1-CD 3.47Å; H472-R497 PolarHBondContact ND1-NE 3.24Å; H472-S507 PolarHBondContact CE1-O 3.18Å; H472-S507 PolarHBondContact NE2-O 2.93Å
473	R	88.2	Confident	83.8	Confident	205 Å²	205	92 Å²	92	77%	0.774	47%	0.473	S	S	*	.			trans	60.5	25.9	-174.1	-44.8	-177.3	-167.9	-169.3	4.4	113.7	C469	C469-R473 VanDerWaalsContact O-CA 3.24Å; C469-R473 WeakPolarHBondContact O-CA 3.47Å; C469-R473 PolarHBondContact O-N 3.45Å
474	E	89	Confident	84.8	Confident	60 Å²	60	91.2 Å²	91.2	28%	0.28	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-95.7	151.8	179.7	-68	170.5	155.7	0	0	112.5	L468 C469 H472 C476 R497	L468-E474 CarbonylContact C-O 3.6Å; L468-E474 VanDerWaalsContact CA-O 3.28Å; L468-E474 WeakPolarHBondContact CA-O 3.35Å; C469-E474 PolarHBondContact N-O 3.26Å; C469-E474 PolarHBondContact SG-N 2.94Å; H472-E474 HydrophobicContact CB-CB 4.45Å; H472-E474 HydrophobicContact CB-CG 3.89Å; H472-E474 IonicContact CG-OE2 3.58Å; H472-E474 IonicContact ND1-OE2 3.47Å; H472-E474 PolarHBondContact ND1-OE2 2.92Å; H472-E474 PolarHBondContact O-N 3.39Å; E474-C476 PolarHBondContact O-N 2.96Å; E474-R497 IonicContact OE1-CZ 2.69Å; E474-R497 VanDerWaalsContact OE1-CZ 3.25Å; E474-R497 IonicContact OE1-NE 3.56Å; E474-R497 PolarHBondContact OE1-NE 2.81Å; E474-R497 IonicContact OE1-NH2 3.73Å; E474-R497 PolarHBondContact OE1-NH2 3.47Å; E474-R497 WeakPolarHBondContact OE2-CG 3.13Å; E474-R497 IonicContact OE2-CZ 3.29Å; E474-R497 IonicContact OE2-NE 2.88Å; E474-R497 PolarHBondContact OE2-NE 2.73Å; E474-R497 IonicContact OE2-NH2 2.76Å
475	P	89.1	Confident	86.3	Confident	80 Å²	80	86.6 Å²	86.6	52%	0.519	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-54.9	126.8	173.7	-25.6	35.2	0	0	0	113.1	T466 L468 A496	T466-P475 HydrophobicContact CG2-CB 3.93Å; L468-P475 HydrophobicContact CD2-CG 4.09Å; P475-A496 WeakPolarHBondContact O-CB 3.36Å
476	C	90.1	Very high	87.4	Confident	8 Å²	8	81 Å²	81	5%	0.054	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-73.9	149.3	178	-70.6	0	0	0	0	114.1	T466 P467 E474 Y493 M494 F511	T466-C476 HydrophobicContact CG2-CB 4.4Å; T466-C476 WeakPolarHBondContact CG2-O 3.24Å; P467-C476 HydrophobicContact CG-CB 4.23Å; P467-C476 VanDerWaalsContact O-CB 3.25Å; P467-C476 WeakPolarHBondContact O-CB 3.5Å; P467-C476 PolarHBondContact O-N 3.5Å; P467-C476 PolarHBondContact O-SG 2.7Å; E474-C476 PolarHBondContact O-N 2.96Å; C476-Y493 HydrophobicContact CB-CD1 4.39Å; C476-M494 CarbonylContact C-O 3.53Å; C476-M494 VanDerWaalsContact CA-O 3.25Å; C476-M494 WeakPolarHBondContact CA-O 3.25Å; C476-M494 WeakPolarHBondContact CB-O 3.12Å; C476-F511 HydrophobicContact CB-CE1 4.46Å; C476-F511 WeakPolarHBondContact SG-CD1 3.2Å; C476-F511 WeakPolarHBondContact SG-CE1 3.48Å
477	V	88.8	Confident	87.8	Confident	43 Å²	43	80.6 Å²	80.6	26%	0.261	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.4	168.4	65.8	0	0	0	0	110.2	R479 Y493 M494 A496	V477-R479 HydrophobicContact CG1-CG 4.33Å; V477-Y493 WeakPolarHBondContact O-CA 3.42Å; V477-M494 HydrophobicContact CG1-CG 3.7Å; V477-M494 HydrophobicContact CG1-SD 4.47Å; V477-M494 PolarHBondContact N-O 3.19Å; V477-M494 PolarHBondContact O-N 3.38Å; V477-A496 HydrophobicContact CB-CB 4.25Å
478	M	89.9	Confident	87.7	Confident	72 Å²	72	84.1 Å²	84.1	36%	0.355	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.8	169.3	-171.2	-173.5	-72.1	0	0	109.8	R491 F492 Y493	M478-R491 HydrophobicContact CG-CB 4.35Å; M478-R491 HydrophobicContact SD-CB 4.19Å; M478-R491 HydrophobicContact SD-CG 4.39Å; M478-F492 CarbonylContact C-O 3.54Å; M478-F492 WeakPolarHBondContact CA-O 3.29Å; M478-Y493 HydrophobicContact CB-CD1 4.1Å; M478-Y493 HydrophobicContact CB-CE1 4.14Å; M478-Y493 HydrophobicContact CE-CD1 4.5Å; M478-Y493 HydrophobicContact CE-CE1 3.6Å; M478-Y493 HydrophobicContact CE-CE2 4.19Å; M478-Y493 VanDerWaalsContact CE-CZ 3.43Å; M478-Y493 VanDerWaalsContact CE-OH 3.28Å; M478-Y493 WeakPolarHBondContact CE-OH 3.41Å; M478-Y493 HydrophobicContact CG-CE1 4.48Å
479	R	87.6	Confident	87.5	Confident	131 Å²	131	81.7 Å²	81.7	49%	0.494	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	158.7	175.6	-60.8	-63.1	-173.3	148.3	2.7	110.4	V477 R491 F492 M494	V477-R479 HydrophobicContact CG1-CG 4.33Å; R479-R491 CarbonylContact O-C 3.54Å; R479-R491 VanDerWaalsContact O-CA 3.31Å; R479-R491 WeakPolarHBondContact O-CA 3.2Å; R479-F492 HydrophobicContact CB-CD1 4.47Å; R479-F492 HydrophobicContact CB-CE1 3.91Å; R479-F492 HydrophobicContact CB-CE2 4Å; R479-F492 HydrophobicContact CB-CZ 3.67Å; R479-F492 HydrophobicContact CG-CZ 4.5Å; R479-F492 PolarHBondContact N-O 3.14Å; R479-F492 WeakPolarHBondContact O-CD1 3.17Å; R479-F492 PolarHBondContact O-N 3.37Å; R479-M494 HydrophobicContact CB-SD 4.4Å; R479-M494 HydrophobicContact CG-CG 4.13Å; R479-M494 HydrophobicContact CG-SD 3.61Å
480	T	89.6	Confident	87.5	Confident	72 Å²	72	86.9 Å²	86.9	44%	0.442	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.9	176.9	-51.5	0	0	0	0	109.6	K482 G489 R490 R491	T480-K482 PolarHBondContact O-N 3Å; T480-G489 WeakPolarHBondContact CG2-O 3.26Å; T480-R490 WeakPolarHBondContact CA-O 3.48Å; T480-R491 HydrophobicContact CG2-CG 4.5Å
481	V	87.6	Confident	87.7	Confident	29 Å²	29	88.5 Å²	88.5	18%	0.176	47%	0.467	C	S	.	.			trans	-67.8	117	175.6	178	0	0	0	0	109.7	K483 N487 G489 R490 F492 W514	V481-K483 HydrophobicContact CG1-CB 4.49Å; V481-N487 VanDerWaalsContact CB-O 3.22Å; V481-N487 WeakPolarHBondContact CB-O 3.43Å; V481-N487 HydrophobicContact CG1-CB 4.31Å; V481-N487 WeakPolarHBondContact CG1-O 3.27Å; V481-N487 HydrophobicContact CG2-CB 4.43Å; V481-G489 PolarHBondContact O-N 2.74Å; V481-R490 PolarHBondContact N-O 2.72Å; V481-F492 HydrophobicContact CG2-CD1 3.9Å; V481-F492 HydrophobicContact CG2-CE1 3.75Å; V481-W514 HydrophobicContact CG2-CH2 3.98Å; V481-W514 HydrophobicContact CG2-CZ3 3.97Å
482	K	85.1	Confident	87.9	Confident	191 Å²	191	87.7 Å²	87.7	83%	0.83	45%	0.45	S	S	*	.			trans	-99	-9.1	174.5	-64.9	-171.5	176.8	-173.4	0	114.2	T480	T480-K482 PolarHBondContact O-N 3Å
483	K	84.4	Confident	88	Confident	170 Å²	170	86.8 Å²	86.8	74%	0.739	45%	0.445	S	S	*	.	S	Bend	trans	-75.9	133.8	179.2	-170.6	179.9	179	179.4	0	109.9	V481	V481-K483 HydrophobicContact CG1-CB 4.49Å
484	P	77.9	Confident	88.2	Confident	110 Å²	110	78.4 Å²	78.4	71%	0.714	42%	0.415	S	S	*	.	S	Bend	trans	-55.1	145.2	171.2	-26.1	35.2	0	0	0	112.6
485	G	88.7	Confident	88.2	Confident	47 Å²	47	75.6 Å²	75.6	49%	0.485	40%	0.402	S	S	.	.	S	Bend	trans	133.7	-178.2	-177.3	0	0	0	0	0	112.6	N487 L488	G485-N487 PolarHBondContact O-N 3.03Å; G485-L488 WeakPolarHBondContact O-CB 3.47Å; G485-L488 PolarHBondContact O-N 2.81Å
486	P	88.2	Confident	88	Confident	131 Å²	131	74.4 Å²	74.4	85%	0.851	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-4.7	-170.9	27.7	-36.9	0	0	0	115
487	N	87.5	Confident	87.8	Confident	56 Å²	56	77.6 Å²	77.6	30%	0.299	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	1.9	177	-67.1	-48.4	0	0	0	113.7	V481 G485 G489 R490 W514	V481-N487 VanDerWaalsContact CB-O 3.22Å; V481-N487 WeakPolarHBondContact CB-O 3.43Å; V481-N487 HydrophobicContact CG1-CB 4.31Å; V481-N487 WeakPolarHBondContact CG1-O 3.27Å; V481-N487 HydrophobicContact CG2-CB 4.43Å; G485-N487 PolarHBondContact O-N 3.03Å; N487-G489 PolarHBondContact O-N 2.73Å; N487-R490 VanDerWaalsContact O-CB 3.27Å; N487-R490 WeakPolarHBondContact O-CB 3.46Å; N487-R490 WeakPolarHBondContact O-CG 3.26Å; N487-R490 PolarHBondContact O-N 2.75Å; N487-R490 VanDerWaalsContact OD1-CD 3.26Å; N487-R490 WeakPolarHBondContact OD1-CD 3.47Å; N487-R490 PolarHBondContact OD1-NH1 2.71Å; N487-W514 HydrophobicContact CB-CH2 3.95Å
488	L	87.6	Confident	87.2	Confident	102 Å²	102	76.4 Å²	76.4	53%	0.534	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	133.4	179	-179.2	65	0	0	0	110.9	G485 R490	G485-L488 WeakPolarHBondContact O-CB 3.47Å; G485-L488 PolarHBondContact O-N 2.81Å; L488-R490 PolarHBondContact O-N 3.47Å
489	G	86.5	Confident	86.7	Confident	48 Å²	48	80.4 Å²	80.4	50%	0.495	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-12.1	-177.8	0	0	0	0	0	115.6	T480 V481 N487	T480-G489 WeakPolarHBondContact CG2-O 3.26Å; V481-G489 PolarHBondContact O-N 2.74Å; N487-G489 PolarHBondContact O-N 2.73Å
490	R	90.4	Very high	86.2	Confident	110 Å²	110	74.9 Å²	74.9	42%	0.415	40%	0.398	S	S	.	.			trans	-67.1	140.4	175.5	-63.9	-177.7	71	-176.1	2.9	111.1	T480 V481 N487 L488 W514	T480-R490 WeakPolarHBondContact CA-O 3.48Å; V481-R490 PolarHBondContact N-O 2.72Å; N487-R490 VanDerWaalsContact O-CB 3.27Å; N487-R490 WeakPolarHBondContact O-CB 3.46Å; N487-R490 WeakPolarHBondContact O-CG 3.26Å; N487-R490 PolarHBondContact O-N 2.75Å; N487-R490 VanDerWaalsContact OD1-CD 3.26Å; N487-R490 WeakPolarHBondContact OD1-CD 3.47Å; N487-R490 PolarHBondContact OD1-NH1 2.71Å; L488-R490 PolarHBondContact O-N 3.47Å; R490-W514 HydrophobicContact CB-CE3 4.12Å; R490-W514 HydrophobicContact CB-CH2 4.42Å; R490-W514 HydrophobicContact CB-CZ3 3.61Å
491	R	90.2	Very high	85.5	Confident	99 Å²	99	72.5 Å²	72.5	37%	0.374	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143.9	177.2	-62.3	-177.4	-64.4	168.8	-3.8	110.9	M478 R479 T480 S515 S518	M478-R491 HydrophobicContact CG-CB 4.35Å; M478-R491 HydrophobicContact SD-CB 4.19Å; M478-R491 HydrophobicContact SD-CG 4.39Å; R479-R491 CarbonylContact O-C 3.54Å; R479-R491 VanDerWaalsContact O-CA 3.31Å; R479-R491 WeakPolarHBondContact O-CA 3.2Å; T480-R491 HydrophobicContact CG2-CG 4.5Å; R491-S515 WeakPolarHBondContact O-CB 3.4Å; R491-S515 PolarHBondContact O-N 3.45Å; R491-S518 PolarHBondContact NH2-OG 2.74Å
492	F	91.7	Very high	84.8	Confident	33 Å²	33	77.9 Å²	77.9	15%	0.145	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.6	175.7	64.3	-84.3	0	0	0	111.1	M478 R479 V481 M494 F512 L513 W514	M478-F492 CarbonylContact C-O 3.54Å; M478-F492 WeakPolarHBondContact CA-O 3.29Å; R479-F492 HydrophobicContact CB-CD1 4.47Å; R479-F492 HydrophobicContact CB-CE1 3.91Å; R479-F492 HydrophobicContact CB-CE2 4Å; R479-F492 HydrophobicContact CB-CZ 3.67Å; R479-F492 HydrophobicContact CG-CZ 4.5Å; R479-F492 PolarHBondContact N-O 3.14Å; R479-F492 WeakPolarHBondContact O-CD1 3.17Å; R479-F492 PolarHBondContact O-N 3.37Å; V481-F492 HydrophobicContact CG2-CD1 3.9Å; V481-F492 HydrophobicContact CG2-CE1 3.75Å; F492-M494 HydrophobicContact CD2-CB 4.35Å; F492-M494 HydrophobicContact CD2-CG 4.47Å; F492-M494 HydrophobicContact CE2-CB 4.27Å; F492-M494 HydrophobicContact CE2-CG 4.13Å; F492-M494 HydrophobicContact CE2-SD 3.64Å; F492-M494 HydrophobicContact CZ-SD 4.32Å; F492-F512 HydrophobicContact CB-CE2 3.81Å; F492-F512 HydrophobicContact CB-CZ 3.87Å; F492-F512 HydrophobicContact CD1-CE2 4.31Å; F492-F512 AromaticContact CD2-CD2 3.64Å; F492-F512 HydrophobicContact CD2-CD2 3.64Å; F492-F512 AromaticContact CD2-CE2 3.26Å; F492-F512 HydrophobicContact CD2-CE2 3.26Å; F492-F512 HydrophobicContact CD2-CZ 4.19Å; F492-F512 HydrophobicContact CE2-CD2 4.11Å; F492-F512 AromaticContact CE2-CE2 3.8Å; F492-F512 HydrophobicContact CE2-CE2 3.8Å; F492-F512 HydrophobicContact CG-CD2 4.33Å; F492-F512 AromaticContact CG-CE2 3.55Å; F492-F512 HydrophobicContact CG-CE2 3.55Å; F492-F512 HydrophobicContact CG-CZ 4.06Å; F492-L513 CarbonylContact C-O 3.34Å; F492-L513 WeakPolarHBondContact CA-O 3.1Å; F492-W514 HydrophobicContact CB-CE3 3.85Å; F492-W514 HydrophobicContact CB-CZ3 4.15Å; F492-W514 HydrophobicContact CD1-CZ3 4.21Å
493	Y	91.1	Very high	84.5	Confident	26 Å²	26	74.8 Å²	74.8	10%	0.102	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143.8	170.3	-61.2	-85.6	0	0	0	110	T466 P467 C476 V477 M478 F512 L513	T466-Y493 HydrophobicContact CG2-CD1 4.49Å; T466-Y493 HydrophobicContact CG2-CE1 4.44Å; P467-Y493 VanDerWaalsContact CD-CD1 3.47Å; P467-Y493 VanDerWaalsContact CD-CE1 3.49Å; P467-Y493 HydrophobicContact CG-CD1 3.67Å; P467-Y493 HydrophobicContact CG-CD2 3.7Å; P467-Y493 HydrophobicContact CG-CE1 4.15Å; P467-Y493 HydrophobicContact CG-CE2 4.18Å; P467-Y493 HydrophobicContact CG-CG 3.39Å; C476-Y493 HydrophobicContact CB-CD1 4.39Å; V477-Y493 WeakPolarHBondContact O-CA 3.42Å; M478-Y493 HydrophobicContact CB-CD1 4.1Å; M478-Y493 HydrophobicContact CB-CE1 4.14Å; M478-Y493 HydrophobicContact CE-CD1 4.5Å; M478-Y493 HydrophobicContact CE-CE1 3.6Å; M478-Y493 HydrophobicContact CE-CE2 4.19Å; M478-Y493 VanDerWaalsContact CE-CZ 3.43Å; M478-Y493 VanDerWaalsContact CE-OH 3.28Å; M478-Y493 WeakPolarHBondContact CE-OH 3.41Å; M478-Y493 HydrophobicContact CG-CE1 4.48Å; Y493-F512 WeakPolarHBondContact O-CA 3.33Å; Y493-L513 PolarHBondContact N-O 2.65Å; Y493-L513 PolarHBondContact O-N 2.9Å
494	M	91.6	Very high	84.3	Confident	29 Å²	29	69.1 Å²	69.1	14%	0.143	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.9	174.9	57.9	-179.3	-70.9	0	0	110	C476 V477 R479 F492 A496 R508 F511	C476-M494 CarbonylContact C-O 3.53Å; C476-M494 VanDerWaalsContact CA-O 3.25Å; C476-M494 WeakPolarHBondContact CA-O 3.25Å; C476-M494 WeakPolarHBondContact CB-O 3.12Å; V477-M494 HydrophobicContact CG1-CG 3.7Å; V477-M494 HydrophobicContact CG1-SD 4.47Å; V477-M494 PolarHBondContact N-O 3.19Å; V477-M494 PolarHBondContact O-N 3.38Å; R479-M494 HydrophobicContact CB-SD 4.4Å; R479-M494 HydrophobicContact CG-CG 4.13Å; R479-M494 HydrophobicContact CG-SD 3.61Å; F492-M494 HydrophobicContact CD2-CB 4.35Å; F492-M494 HydrophobicContact CD2-CG 4.47Å; F492-M494 HydrophobicContact CE2-CB 4.27Å; F492-M494 HydrophobicContact CE2-CG 4.13Å; F492-M494 HydrophobicContact CE2-SD 3.64Å; F492-M494 HydrophobicContact CZ-SD 4.32Å; M494-A496 PolarHBondContact O-N 2.97Å; M494-R508 VanDerWaalsContact CE-NH1 3.3Å; M494-F511 WeakPolarHBondContact CA-O 3.47Å
495	C	89.6	Confident	84.5	Confident	1 Å²	1	69 Å²	69	1%	0.007	39%	0.393	C	S	.	.			trans	-51.5	134.2	176.5	179	0	0	0	0	111.6	C469 H472 R508 F511	C469-C495 HydrophobicContact CB-CB 3.73Å; C469-C495 VanDerWaalsContact SG-SG 3.68Å; H472-C495 VanDerWaalsContact CE1-SG 3.52Å; H472-C495 PolarHBondContact ND1-SG 3.42Å; H472-C495 VanDerWaalsContact ND1-SG 3.39Å; C495-R508 HydrophobicContact CB-CG 3.69Å; C495-R508 WeakPolarHBondContact O-CD 3.49Å; C495-F511 HydrophobicContact CB-CB 4.44Å; C495-F511 PolarHBondContact N-O 3.25Å
496	A	84.8	Confident	84.2	Confident	55 Å²	55	68.2 Å²	68.2	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-78.5	-24.8	-173.3	0	0	0	0	0	113.9	P475 V477 M494	P475-A496 WeakPolarHBondContact O-CB 3.36Å; V477-A496 HydrophobicContact CB-CB 4.25Å; M494-A496 PolarHBondContact O-N 2.97Å
497	R	84.4	Confident	84	Confident	74 Å²	74	62.4 Å²	62.4	28%	0.279	34%	0.343	S	S	.	.	S	Bend	trans	-57.8	151.1	172.6	-58.7	-157.9	-173.5	173.4	-13.5	110.9	H472 E474 P505 S506 R508	H472-R497 VanDerWaalsContact CE1-CD 3.47Å; H472-R497 WeakPolarHBondContact CE1-CD 3.34Å; H472-R497 VanDerWaalsContact ND1-CD 3.27Å; H472-R497 WeakPolarHBondContact ND1-CD 3.47Å; H472-R497 PolarHBondContact ND1-NE 3.24Å; E474-R497 IonicContact OE1-CZ 2.69Å; E474-R497 VanDerWaalsContact OE1-CZ 3.25Å; E474-R497 IonicContact OE1-NE 3.56Å; E474-R497 PolarHBondContact OE1-NE 2.81Å; E474-R497 IonicContact OE1-NH2 3.73Å; E474-R497 PolarHBondContact OE1-NH2 3.47Å; E474-R497 WeakPolarHBondContact OE2-CG 3.13Å; E474-R497 IonicContact OE2-CZ 3.29Å; E474-R497 IonicContact OE2-NE 2.88Å; E474-R497 PolarHBondContact OE2-NE 2.73Å; E474-R497 IonicContact OE2-NH2 2.76Å; R497-P505 PolarHBondContact NH1-O 3.24Å; R497-S506 WeakPolarHBondContact CB-O 3.46Å; R497-S506 WeakPolarHBondContact CD-O 3.38Å; R497-R508 WeakPolarHBondContact O-CB 3.46Å; R497-R508 VanDerWaalsContact O-CD 3.3Å; R497-R508 WeakPolarHBondContact O-CD 3.27Å; R497-R508 WeakPolarHBondContact O-CG 3.45Å
498	P	77.4	Confident	83.9	Confident	18 Å²	18	63.3 Å²	63.3	12%	0.117	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-80.9	159.5	-178.5	31	-31.2	0	0	0	113	T265 G266 H269 L270 R508	T265-P498 WeakPolarHBondContact O-CA 3.33Å; T265-P498 WeakPolarHBondContact O-CB 3.42Å; G266-P498 VanDerWaalsContact O-CB 3.31Å; G266-P498 WeakPolarHBondContact O-CB 3.45Å; H269-P498 HydrophobicContact CB-CG 4.38Å; L270-P498 HydrophobicContact CB-CG 4.33Å; L270-P498 HydrophobicContact CD1-CG 3.56Å; L270-P498 HydrophobicContact CG-CG 3.64Å; P498-R508 WeakPolarHBondContact O-CB 3.39Å; P498-R508 PolarHBondContact O-N 2.92Å
499	R	78.7	Confident	84	Confident	156 Å²	156	59.8 Å²	59.8	59%	0.589	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-82.6	126.9	-175.6	-173.3	-161.3	-176.4	-175.9	0	111.9	T265 Y272	T265-R499 HydrophobicContact CG2-CB 3.85Å; T265-R499 PolarHBondContact O-N 2.93Å; Y272-R499 WeakPolarHBondContact CD2-O 3.32Å
500	G	76.6	Confident	84	Confident	16 Å²	16	65.8 Å²	65.8	17%	0.165	35%	0.346	C	S	.	.			trans	-145.3	-139.3	161.4	0	0	0	0	0	110.6	Y272 S507	Y272-G500 VanDerWaalsContact CD2-CA 3.42Å; G500-S507 WeakPolarHBondContact CA-OG 3.36Å; G500-S507 PolarHBondContact N-OG 3.09Å
501	P	75.4	Confident	84	Confident	22 Å²	22	63 Å²	63	14%	0.143	34%	0.337	C	S	.	.			trans	-76.5	149.7	-171.8	28.2	-28	0	0	0	112.8	W208 Y272 T503 D504 S507	W208-P501 HydrophobicContact CE3-CG 4.33Å; W208-P501 HydrophobicContact CH2-CB 4.28Å; W208-P501 HydrophobicContact CH2-CG 4.45Å; W208-P501 HydrophobicContact CZ3-CB 3.75Å; W208-P501 HydrophobicContact CZ3-CG 3.64Å; Y272-P501 HydrophobicContact CE1-CG 4.47Å; P501-T503 PolarHBondContact O-N 2.88Å; P501-T503 VanDerWaalsContact O-N 3.14Å; P501-D504 HydrophobicContact CG-CB 3.93Å; P501-D504 PolarHBondContact O-N 3.14Å; P501-S507 WeakPolarHBondContact O-CB 3.4Å; P501-S507 PolarHBondContact O-OG 3.44Å
502	P	74	Confident	84.1	Confident	142 Å²	142	63.2 Å²	63.2	92%	0.922	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.4	177.5	-21.5	33.7	0	0	0	115.2
503	T	77.9	Confident	84.1	Confident	125 Å²	125	65.6 Å²	65.6	77%	0.767	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-19	-177.4	45.3	0	0	0	0	113.8	P501 P505	P501-T503 PolarHBondContact O-N 2.88Å; P501-T503 VanDerWaalsContact O-N 3.14Å; T503-P505 WeakPolarHBondContact O-CD 3.23Å
504	D	79.6	Confident	84.1	Confident	51 Å²	51	68.5 Å²	68.5	27%	0.273	37%	0.366	S	S	.	.			trans	-88.4	119.3	-177.8	-177.1	-19.4	0	0	0	110.6	Y272 P501 S506 S507	Y272-D504 PolarHBondContact OH-OD2 3.02Å; P501-D504 HydrophobicContact CG-CB 3.93Å; P501-D504 PolarHBondContact O-N 3.14Å; D504-S506 PolarHBondContact O-N 3.42Å; D504-S506 VanDerWaalsContact O-N 3.1Å; D504-S506 WeakPolarHBondContact OD1-CA 3.31Å; D504-S506 WeakPolarHBondContact OD1-CB 3.44Å; D504-S506 PolarHBondContact OD1-N 3.01Å; D504-S506 PolarHBondContact OD1-OG 3.49Å; D504-S506 PolarHBondContact OD2-OG 2.87Å; D504-S506 VanDerWaalsContact OD2-OG 3.09Å; D504-S507 WeakPolarHBondContact O-CB 3.37Å; D504-S507 PolarHBondContact O-N 3.06Å
505	P	83.3	Confident	83.8	Confident	108 Å²	108	67.9 Å²	67.9	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.9	178.3	-24	34.7	0	0	0	114.3	R497 T503	R497-P505 PolarHBondContact NH1-O 3.24Å; T503-P505 WeakPolarHBondContact O-CD 3.23Å
506	S	82.3	Confident	83.3	Confident	31 Å²	31	78.3 Å²	78.3	22%	0.217	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.7	175	72.6	0	0	0	0	113.2	L270 Y272 R497 D504	L270-S506 VanDerWaalsContact CD1-O 3.25Å; L270-S506 WeakPolarHBondContact CD1-O 3.47Å; L270-S506 WeakPolarHBondContact CD1-OG 3.48Å; Y272-S506 PolarHBondContact OH-OG 3.24Å; R497-S506 WeakPolarHBondContact CB-O 3.46Å; R497-S506 WeakPolarHBondContact CD-O 3.38Å; D504-S506 PolarHBondContact O-N 3.42Å; D504-S506 VanDerWaalsContact O-N 3.1Å; D504-S506 WeakPolarHBondContact OD1-CA 3.31Å; D504-S506 WeakPolarHBondContact OD1-CB 3.44Å; D504-S506 PolarHBondContact OD1-N 3.01Å; D504-S506 PolarHBondContact OD1-OG 3.49Å; D504-S506 PolarHBondContact OD2-OG 2.87Å; D504-S506 VanDerWaalsContact OD2-OG 3.09Å
507	S	83.6	Confident	82.1	Confident	9 Å²	9	81.6 Å²	81.6	6%	0.063	42%	0.421	C	S	.	.	S	Bend	trans	-72	153.2	-178.1	-109.8	0	0	0	0	114.4	Y272 H472 G500 P501 D504 C509	Y272-S507 VanDerWaalsContact CE2-OG 3.25Å; Y272-S507 WeakPolarHBondContact CE2-OG 3.22Å; Y272-S507 VanDerWaalsContact CZ-OG 3.3Å; Y272-S507 PolarHBondContact OH-OG 3.12Å; H472-S507 PolarHBondContact CE1-O 3.18Å; H472-S507 PolarHBondContact NE2-O 2.93Å; G500-S507 WeakPolarHBondContact CA-OG 3.36Å; G500-S507 PolarHBondContact N-OG 3.09Å; P501-S507 WeakPolarHBondContact O-CB 3.4Å; P501-S507 PolarHBondContact O-OG 3.44Å; D504-S507 WeakPolarHBondContact O-CB 3.37Å; D504-S507 PolarHBondContact O-N 3.06Å; S507-C509 PolarHBondContact O-N 2.98Å
508	R	86.2	Confident	80.6	Confident	75 Å²	75	85.7 Å²	85.7	28%	0.283	46%	0.46	S	S	.	.			trans	-60.9	105.2	-178.5	-165.7	179.8	68.3	-154.7	3.3	113.9	M494 C495 R497 P498	M494-R508 VanDerWaalsContact CE-NH1 3.3Å; C495-R508 HydrophobicContact CB-CG 3.69Å; C495-R508 WeakPolarHBondContact O-CD 3.49Å; R497-R508 WeakPolarHBondContact O-CB 3.46Å; R497-R508 VanDerWaalsContact O-CD 3.3Å; R497-R508 WeakPolarHBondContact O-CD 3.27Å; R497-R508 WeakPolarHBondContact O-CG 3.45Å; P498-R508 WeakPolarHBondContact O-CB 3.39Å; P498-R508 PolarHBondContact O-N 2.92Å
509	C	88.3	Confident	80.7	Confident	28 Å²	28	89.1 Å²	89.1	19%	0.189	48%	0.477	C	S	.	.			trans	-58.3	155.3	170.5	76.4	0	0	0	0	113.2	G471 S507 F511	G471-C509 PolarHBondContact N-SG 3.37Å; S507-C509 PolarHBondContact O-N 2.98Å; C509-F511 PolarHBondContact O-N 3.22Å
510	N	88	Confident	80.8	Confident	173 Å²	173	85.5 Å²	85.5	93%	0.925	47%	0.472	S	S	*	.	S	Bend	trans	-70.9	27.1	-176.2	-66.8	-31	0	0	0	115.4	F512	N510-F512 PolarHBondContact O-N 3.26Å
511	F	90.4	Very high	81.1	Confident	51 Å²	51	89.4 Å²	89.4	22%	0.224	49%	0.489	C	S	.	.			trans	-74.5	125.4	177.7	-178.1	-89.5	0	0	0	111	P467 C469 G470 C476 M494 C495 C509 L513	P467-F511 HydrophobicContact CB-CE1 4.41Å; P467-F511 HydrophobicContact CB-CZ 4.18Å; P467-F511 HydrophobicContact CG-CE1 4.48Å; C469-F511 HydrophobicContact CB-CB 3.91Å; C469-F511 HydrophobicContact CB-CD1 4.24Å; C469-F511 HydrophobicContact CB-CG 4.05Å; G470-F511 VanDerWaalsContact N-CD2 3.31Å; C476-F511 HydrophobicContact CB-CE1 4.46Å; C476-F511 WeakPolarHBondContact SG-CD1 3.2Å; C476-F511 WeakPolarHBondContact SG-CE1 3.48Å; M494-F511 WeakPolarHBondContact CA-O 3.47Å; C495-F511 HydrophobicContact CB-CB 4.44Å; C495-F511 PolarHBondContact N-O 3.25Å; C509-F511 PolarHBondContact O-N 3.22Å; F511-L513 HydrophobicContact CE1-CB 3.97Å; F511-L513 HydrophobicContact CZ-CB 3.92Å; F511-L513 HydrophobicContact CZ-CD2 4.26Å
512	F	91.3	Very high	81.4	Confident	104 Å²	104	93.4 Å²	93.4	46%	0.456	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	135.2	176.1	176.2	-85	0	0	0	109.4	F492 Y493 N510 W514	F492-F512 HydrophobicContact CB-CE2 3.81Å; F492-F512 HydrophobicContact CB-CZ 3.87Å; F492-F512 HydrophobicContact CD1-CE2 4.31Å; F492-F512 AromaticContact CD2-CD2 3.64Å; F492-F512 HydrophobicContact CD2-CD2 3.64Å; F492-F512 AromaticContact CD2-CE2 3.26Å; F492-F512 HydrophobicContact CD2-CE2 3.26Å; F492-F512 HydrophobicContact CD2-CZ 4.19Å; F492-F512 HydrophobicContact CE2-CD2 4.11Å; F492-F512 AromaticContact CE2-CE2 3.8Å; F492-F512 HydrophobicContact CE2-CE2 3.8Å; F492-F512 HydrophobicContact CG-CD2 4.33Å; F492-F512 AromaticContact CG-CE2 3.55Å; F492-F512 HydrophobicContact CG-CE2 3.55Å; F492-F512 HydrophobicContact CG-CZ 4.06Å; Y493-F512 WeakPolarHBondContact O-CA 3.33Å; N510-F512 PolarHBondContact O-N 3.26Å; F512-W514 AromaticContact CE1-CD1 3.86Å; F512-W514 HydrophobicContact CE1-CD2 4.04Å; F512-W514 AromaticContact CE1-CE2 3.78Å; F512-W514 HydrophobicContact CE1-CG 4.08Å; F512-W514 HydrophobicContact CE1-CZ2 4.31Å; F512-W514 AromaticContact CE1-NE1 3.67Å; F512-W514 AromaticContact CZ-CD2 3.87Å; F512-W514 HydrophobicContact CZ-CD2 3.87Å; F512-W514 AromaticContact CZ-CE2 3.64Å; F512-W514 HydrophobicContact CZ-CE3 4.22Å; F512-W514 HydrophobicContact CZ-CG 4.38Å; F512-W514 HydrophobicContact CZ-CH2 4.12Å; F512-W514 AromaticContact CZ-CZ2 3.79Å; F512-W514 HydrophobicContact CZ-CZ2 3.79Å; F512-W514 HydrophobicContact CZ-CZ3 4.33Å
513	L	91.1	Very high	81.9	Confident	84 Å²	84	90.3 Å²	90.3	44%	0.44	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	122.4	175.9	178.4	62.7	0	0	0	109.9	P467 F492 Y493 F511 S515	P467-L513 HydrophobicContact CB-CD2 4.05Å; P467-L513 HydrophobicContact CG-CD2 4.18Å; F492-L513 CarbonylContact C-O 3.34Å; F492-L513 WeakPolarHBondContact CA-O 3.1Å; Y493-L513 PolarHBondContact N-O 2.65Å; Y493-L513 PolarHBondContact O-N 2.9Å; F511-L513 HydrophobicContact CE1-CB 3.97Å; F511-L513 HydrophobicContact CZ-CB 3.92Å; F511-L513 HydrophobicContact CZ-CD2 4.26Å; L513-S515 PolarHBondContact O-N 3.13Å
514	W	91.6	Very high	82.1	Confident	86 Å²	86	88 Å²	88	33%	0.326	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	134	172.2	-73.9	112.8	0	0	0	110.5	V481 N487 R490 F492 F512 R516	V481-W514 HydrophobicContact CG2-CH2 3.98Å; V481-W514 HydrophobicContact CG2-CZ3 3.97Å; N487-W514 HydrophobicContact CB-CH2 3.95Å; R490-W514 HydrophobicContact CB-CE3 4.12Å; R490-W514 HydrophobicContact CB-CH2 4.42Å; R490-W514 HydrophobicContact CB-CZ3 3.61Å; F492-W514 HydrophobicContact CB-CE3 3.85Å; F492-W514 HydrophobicContact CB-CZ3 4.15Å; F492-W514 HydrophobicContact CD1-CZ3 4.21Å; F512-W514 AromaticContact CE1-CD1 3.86Å; F512-W514 HydrophobicContact CE1-CD2 4.04Å; F512-W514 AromaticContact CE1-CE2 3.78Å; F512-W514 HydrophobicContact CE1-CG 4.08Å; F512-W514 HydrophobicContact CE1-CZ2 4.31Å; F512-W514 AromaticContact CE1-NE1 3.67Å; F512-W514 AromaticContact CZ-CD2 3.87Å; F512-W514 HydrophobicContact CZ-CD2 3.87Å; F512-W514 AromaticContact CZ-CE2 3.64Å; F512-W514 HydrophobicContact CZ-CE3 4.22Å; F512-W514 HydrophobicContact CZ-CG 4.38Å; F512-W514 HydrophobicContact CZ-CH2 4.12Å; F512-W514 AromaticContact CZ-CZ2 3.79Å; F512-W514 HydrophobicContact CZ-CZ2 3.79Å; F512-W514 HydrophobicContact CZ-CZ3 4.33Å; W514-R516 PolarHBondContact O-N 2.71Å
515	S	86.4	Confident	82.3	Confident	16 Å²	16	90.6 Å²	90.6	11%	0.112	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-65.6	134.2	165.5	-171.4	0	0	0	0	107.2	R491 L513	R491-S515 WeakPolarHBondContact O-CB 3.4Å; R491-S515 PolarHBondContact O-N 3.45Å; L513-S515 PolarHBondContact O-N 3.13Å
516	R	78.3	Confident	82.3	Confident	220 Å²	220	89.3 Å²	89.3	83%	0.83	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-61.5	143.8	169.9	-66.2	-177.1	178.6	-177	-1.6	108.2	W514	W514-R516 PolarHBondContact O-N 2.71Å
517	P	59.3	Low	82.3	Confident	125 Å²	125	94.2 Å²	94.2	81%	0.812	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-55	148	162.8	27.5	-33.4	0	0	0	108.9
518	S	52.6	Low	82.1	Confident	159 Å²	159	101.9 Å²	101.9	100%	1.112	52%	0.519	S	S	*	.			trans	-91.3	0	176.5	-54.1	0	0	0	0	109.1	R491	R491-S518 PolarHBondContact NH2-OG 2.74Å

Retrieved 518 of 518 residues in 1719.1 ms (Link to these results)

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