A0A060VG64_HUMAN Loading...

HLA class I histocompatibility antigen

AlphaFold DB , UniProt , Accession A0A060VG64, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	45.4	Very low	239 Å²	239	136.4 Å²	136.4	100%	1.177	70%	0.704	S	S	*	*				0	105.9	0	-72.3	168.1	-178.1	0	0	107.9
2	R	36	Very low	45.4	Very low	244 Å²	244	135.5 Å²	135.5	92%	0.921	70%	0.701	S	S	*	*			trans	-87.5	107.4	170.5	-91.8	-179.1	173.9	165	-2	106.6	T4	R2-T4 PolarHBondContact O-N 3.15Å; R2-T4 VanDerWaalsContact O-N 3.15Å
3	V	39	Very low	45.2	Very low	139 Å²	139	132.6 Å²	132.6	84%	0.842	69%	0.686	S	S	*	*			trans	-74.7	100.6	172.1	179.6	0	0	0	0	106.8	A5	V3-A5 PolarHBondContact O-N 3.35Å
4	T	44.2	Very low	45	Very low	130 Å²	130	127.7 Å²	127.7	80%	0.798	67%	0.669	S	S	*	*			trans	-76.8	105.2	168.2	39.4	0	0	0	0	108.1	R2	R2-T4 PolarHBondContact O-N 3.15Å; R2-T4 VanDerWaalsContact O-N 3.15Å
5	A	45.6	Very low	44.9	Very low	59 Å²	59	122.5 Å²	122.5	49%	0.488	65%	0.652	S	S	.	*			trans	-63.4	142.7	168.3	0	0	0	0	0	109.7	V3 R7	V3-A5 PolarHBondContact O-N 3.35Å; A5-R7 PolarHBondContact O-N 3.4Å
6	P	51.7	Low	44.8	Very low	78 Å²	78	118.2 Å²	118.2	51%	0.506	64%	0.639	S	S	.	*			trans	-62.8	132.3	-179.7	-14	26.8	0	0	0	110.2	T8 V9 L10	P6-T8 PolarHBondContact O-N 2.92Å; P6-V9 HydrophobicContact CB-CG2 4.17Å; P6-V9 HydrophobicContact CG-CG2 4.02Å; P6-V9 WeakPolarHBondContact O-CB 3.49Å; P6-V9 PolarHBondContact O-N 3.3Å; P6-L10 PolarHBondContact O-N 3.02Å
7	R	49.7	Very low	44.4	Very low	222 Å²	222	117.5 Å²	117.5	84%	0.838	63%	0.634	S	S	*	*	H	α-helix	trans	-50.8	-29.2	178.8	-98.3	178.1	158.9	136.8	-5.9	113.8	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.4Å; R7-L10 PolarHBondContact O-N 2.82Å; R7-L11 WeakPolarHBondContact O-CG 3.09Å; R7-L11 PolarHBondContact O-N 2.65Å; R7-L11 VanDerWaalsContact O-N 3.11Å
8	T	50.7	Low	44	Very low	93 Å²	93	114 Å²	114	57%	0.571	62%	0.624	S	S	*	*	H	α-helix	trans	-68.8	-38.8	176	40.2	0	0	0	0	113.2	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 2.92Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L11 PolarHBondContact O-N 3.17Å; T8-L12 WeakPolarHBondContact O-CG 3.47Å; T8-L12 PolarHBondContact O-N 2.87Å
9	V	50.8	Low	43.7	Very low	69 Å²	69	113.3 Å²	113.3	42%	0.418	62%	0.619	S	S	.	*	H	α-helix	trans	-67.9	-37.7	175.5	178.1	0	0	0	0	110.4	P6 L13	P6-V9 HydrophobicContact CB-CG2 4.17Å; P6-V9 HydrophobicContact CG-CG2 4.02Å; P6-V9 WeakPolarHBondContact O-CB 3.49Å; P6-V9 PolarHBondContact O-N 3.3Å; V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 WeakPolarHBondContact O-CD1 3.41Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 2.64Å
10	L	47.1	Very low	43.4	Very low	107 Å²	107	112.1 Å²	112.1	56%	0.56	62%	0.615	S	S	*	*	H	α-helix	trans	-64.8	-41.4	176	-138.9	88.4	0	0	0	111.7	P6 R7 T8 S14	P6-L10 PolarHBondContact O-N 3.02Å; R7-L10 PolarHBondContact O-N 2.82Å; T8-L10 VanDerWaalsContact C-N 3.33Å; L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 3.01Å; L10-S14 PolarHBondContact O-OG 3.32Å
11	L	50.4	Low	43.1	Very low	120 Å²	120	114.6 Å²	114.6	63%	0.628	62%	0.622	S	S	*	*	H	α-helix	trans	-69.3	-40.1	178.5	-73.1	166.8	0	0	0	112.7	R7 T8 S14 A15	R7-L11 WeakPolarHBondContact O-CG 3.09Å; R7-L11 PolarHBondContact O-N 2.65Å; R7-L11 VanDerWaalsContact O-N 3.11Å; T8-L11 PolarHBondContact O-N 3.17Å; L11-S14 WeakPolarHBondContact O-CB 3.42Å; L11-S14 PolarHBondContact O-N 2.88Å; L11-A15 PolarHBondContact O-N 2.93Å
12	L	45.8	Very low	43.5	Very low	126 Å²	126	107.3 Å²	107.3	66%	0.66	59%	0.592	S	S	*	*	H	α-helix	trans	-66.7	-40.1	175.3	-73.4	167.8	0	0	0	112.1	T8 S14 A15 A16	T8-L12 WeakPolarHBondContact O-CG 3.47Å; T8-L12 PolarHBondContact O-N 2.87Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-A15 PolarHBondContact O-N 3.29Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 3.03Å
13	L	42.5	Very low	44	Very low	98 Å²	98	98.4 Å²	98.4	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-36.4	171.8	-77.6	162.6	0	0	0	111.8	V9 L17	V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 WeakPolarHBondContact O-CD1 3.41Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 2.64Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.16Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.02Å
14	S	42.3	Very low	44.7	Very low	64 Å²	64	94.8 Å²	94.8	45%	0.448	54%	0.543	S	S	.	.	H	α-helix	trans	-67	-41.9	176.7	-51.9	0	0	0	0	111.8	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 3.01Å; L10-S14 PolarHBondContact O-OG 3.32Å; L11-S14 WeakPolarHBondContact O-CB 3.42Å; L11-S14 PolarHBondContact O-N 2.88Å; L12-S14 VanDerWaalsContact C-N 3.31Å; S14-A18 VanDerWaalsContact O-CB 3.29Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 3.43Å
15	A	44	Very low	46.2	Very low	50 Å²	50	89.6 Å²	89.6	41%	0.413	52%	0.515	S	S	.	.	H	α-helix	trans	-67.7	-43.1	176.2	0	0	0	0	0	111.4	L11 L12 A18 L19	L11-A15 PolarHBondContact O-N 2.93Å; L12-A15 PolarHBondContact O-N 3.29Å; A15-A18 PolarHBondContact O-N 3.5Å; A15-L19 WeakPolarHBondContact O-CB 3.27Å; A15-L19 WeakPolarHBondContact O-CD1 3.38Å; A15-L19 PolarHBondContact O-N 2.87Å
16	A	42.9	Very low	48.3	Very low	53 Å²	53	89.5 Å²	89.5	44%	0.438	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-40.7	174.9	0	0	0	0	0	112.1	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 3.37Å; A16-T20 WeakPolarHBondContact O-CG2 3.34Å; A16-T20 PolarHBondContact O-N 3Å; A16-T20 PolarHBondContact O-OG1 2.79Å
17	L	38	Very low	50.4	Low	106 Å²	106	87.1 Å²	87.1	56%	0.555	49%	0.493	S	S	*	.	H	α-helix	trans	-66.6	-42.6	176.4	-80.7	161.1	0	0	0	112.2	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.16Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.02Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.39Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.36Å; L17-T20 PolarHBondContact O-N 3.11Å; L17-T20 PolarHBondContact O-OG1 2.6Å; L17-E21 PolarHBondContact O-N 2.93Å
18	A	37.8	Very low	52.7	Low	55 Å²	55	77.8 Å²	77.8	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-62.2	-40.1	175.2	0	0	0	0	0	111.6	S14 A15 T22	S14-A18 VanDerWaalsContact O-CB 3.29Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 3.43Å; A15-A18 PolarHBondContact O-N 3.5Å; A18-T22 VanDerWaalsContact O-CG2 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.23Å; A18-T22 PolarHBondContact O-N 3Å; A18-T22 PolarHBondContact O-OG1 2.8Å
19	L	37.6	Very low	55	Low	101 Å²	101	73.3 Å²	73.3	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-69.1	-38.3	175.1	-90.4	138.2	0	0	0	112.6	A15 A16 L17 T22	A15-L19 WeakPolarHBondContact O-CB 3.27Å; A15-L19 WeakPolarHBondContact O-CD1 3.38Å; A15-L19 PolarHBondContact O-N 2.87Å; A16-L19 PolarHBondContact O-N 3.37Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.39Å; L19-T22 WeakPolarHBondContact CA-OG1 3.44Å; L19-T22 PolarHBondContact O-N 2.87Å; L19-T22 PolarHBondContact O-OG1 2.87Å
20	T	38.4	Very low	57.3	Low	89 Å²	89	72.6 Å²	72.6	55%	0.546	42%	0.424	S	S	.	.	H	α-helix	trans	-68.9	-33.2	175.2	53.5	0	0	0	0	113.5	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.34Å; A16-T20 PolarHBondContact O-N 3Å; A16-T20 PolarHBondContact O-OG1 2.79Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.36Å; L17-T20 PolarHBondContact O-N 3.11Å; L17-T20 PolarHBondContact O-OG1 2.6Å; T20-T22 VanDerWaalsContact C-N 3.33Å
21	E	35.7	Very low	59.7	Low	164 Å²	164	67.9 Å²	67.9	77%	0.766	40%	0.399	S	S	*	.	H	α-helix	trans	-71.1	-27.5	173.3	-88.8	-173.4	155.6	0	0	112.4	L17 W23	L17-E21 PolarHBondContact O-N 2.93Å; E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 3.05Å
22	T	42.7	Very low	62	Low	87 Å²	87	66.1 Å²	66.1	53%	0.534	39%	0.386	S	S	.	.	H	α-helix	trans	-76.4	-16.4	-179.8	51.6	0	0	0	0	115	A18 L19 T20	A18-T22 VanDerWaalsContact O-CG2 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.23Å; A18-T22 PolarHBondContact O-N 3Å; A18-T22 PolarHBondContact O-OG1 2.8Å; L19-T22 WeakPolarHBondContact CA-OG1 3.44Å; L19-T22 PolarHBondContact O-N 2.87Å; L19-T22 PolarHBondContact O-OG1 2.87Å; T20-T22 VanDerWaalsContact C-N 3.33Å
23	W	46.6	Very low	64.5	Low	56 Å²	56	60.5 Å²	60.5	21%	0.212	36%	0.357	C	S	.	.	H	α-helix	trans	-98.1	-32.4	-173.7	-87.4	51.1	0	0	0	114	E21 G25 E236 E288	E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 3.05Å; W23-G25 PolarHBondContact O-N 2.86Å; W23-E236 VanDerWaalsContact CH2-C 3.5Å; W23-E236 HydrophobicContact CH2-CB 3.89Å; W23-E236 HydrophobicContact CH2-CG 3.4Å; W23-E236 VanDerWaalsContact CH2-CG 3.4Å; W23-E236 WeakPolarHBondContact CH2-O 3.49Å; W23-E236 HydrophobicContact CZ2-CB 4.2Å; W23-E236 HydrophobicContact CZ2-CG 3.25Å; W23-E236 HydrophobicContact CZ3-CB 4.32Å; W23-E236 HydrophobicContact CZ3-CG 4.22Å; W23-E236 WeakPolarHBondContact CZ3-O 3.49Å; W23-E288 HydrophobicContact CB-CG 4.34Å; W23-E288 HydrophobicContact CE3-CB 3.65Å; W23-E288 HydrophobicContact CE3-CG 4.32Å; W23-E288 VanDerWaalsContact CE3-N 3.29Å; W23-E288 HydrophobicContact CZ3-CB 4.18Å
24	A	54.4	Low	67.2	Low	63 Å²	63	57.6 Å²	57.6	52%	0.521	34%	0.343	S	S	.	.	S	Bend	trans	-82	105.3	-176.2	0	0	0	0	0	111.5
25	G	75.4	Confident	69.9	Low	21 Å²	21	54.6 Å²	54.6	22%	0.216	32%	0.322	C	S	.	.	S	Bend	trans	90.6	16.4	160.4	0	0	0	0	0	117.4	W23 G128 P129	W23-G25 PolarHBondContact O-N 2.86Å; G25-G128 CarbonylContact O-C 3.53Å; G25-P129 WeakPolarHBondContact O-CA 3.07Å
26	S	90.8	Very high	72.5	Confident	58 Å²	58	55.1 Å²	55.1	41%	0.406	32%	0.317	S	S	.	.			trans	-85.1	142.3	162.1	63.3	0	0	0	0	110.4	V127	S26-V127 CarbonylContact C-O 3.56Å; S26-V127 VanDerWaalsContact CA-O 3.28Å; S26-V127 WeakPolarHBondContact CA-O 3.28Å
27	H	95.3	Very high	75.1	Confident	28 Å²	28	53.5 Å²	53.5	13%	0.13	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.4	179.1	-66.6	-77.8	0	0	0	111.1	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.29Å; H27-D53 IonicContact CE1-OD2 3.96Å; H27-D53 IonicContact CG-OD2 3.31Å; H27-D53 IonicContact ND1-OD1 3.58Å; H27-D53 IonicContact ND1-OD2 3.91Å; H27-D53 PolarHBondContact ND1-OD2 3.18Å; H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.4Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 3.32Å; H27-V127 PolarHBondContact O-N 2.93Å; H27-L192 HydrophobicContact CB-CD1 4.39Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å
28	S	97.6	Very high	77.8	Confident	25 Å²	25	52.1 Å²	52.1	18%	0.175	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.8	177.5	64.9	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 WeakPolarHBondContact O-CA 3.24Å; S28-D53 PolarHBondContact N-OD1 3.34Å; S28-D53 PolarHBondContact O-N 2.93Å; S28-C125 WeakPolarHBondContact CA-O 3.5Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å
29	M	98.6	Very high	80.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.2	165.9	-174.6	171	62.9	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.17Å; M29-Y31 HydrophobicContact SD-CE2 4.06Å; M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 WeakPolarHBondContact CA-O 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; M29-C125 PolarHBondContact N-O 2.96Å; M29-C125 PolarHBondContact O-N 3.42Å; M29-C188 HydrophobicContact CE-CB 4.24Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 VanDerWaalsContact CE-SG 3.56Å; M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.4Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.45Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.6	Very high	82.9	Confident	53 Å²	53	51.5 Å²	51.5	20%	0.2	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.1	-177	-57.3	-62.2	-176.1	74.6	5.9	111	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.21Å; R30-Y51 PolarHBondContact N-O 3.06Å; R30-Y51 PolarHBondContact O-N 2.84Å; R30-D126 IonicContact CZ-OD1 3.56Å; R30-D126 IonicContact NE-OD1 3.82Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 VanDerWaalsContact NE-OD1 3.12Å; R30-D126 VanDerWaalsContact NH2-CG 3.3Å; R30-D126 IonicContact NH2-OD1 3.95Å; R30-D126 PolarHBondContact NH2-OD1 3.01Å; R30-D126 IonicContact NH2-OD2 3.99Å; R30-D126 PolarHBondContact NH2-OD2 2.59Å; R30-H137 PolarHBondContact NH2-NE2 3.18Å; R30-H137 VanDerWaalsContact NH2-NE2 3.13Å
31	Y	98.8	Very high	85.5	Confident	8 Å²	8	57.3 Å²	57.3	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.3	169.2	-71	-86.3	0	0	0	109.8	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.17Å; M29-Y31 HydrophobicContact SD-CE2 4.06Å; Y31-V49 WeakPolarHBondContact CA-O 3.33Å; Y31-F57 AromaticContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.5Å; Y31-V58 HydrophobicContact CE1-CG2 3.85Å; Y31-M122 WeakPolarHBondContact O-CA 3.45Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.43Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.42Å; Y31-Y123 AromaticContact CD2-CE2 3.84Å; Y31-Y123 HydrophobicContact CD2-CE2 3.84Å; Y31-Y123 AromaticContact CD2-CZ 3.89Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.26Å; Y31-Y123 AromaticContact CG-CZ 3.83Å; Y31-Y123 PolarHBondContact N-O 3.01Å; Y31-Y123 PolarHBondContact O-N 2.9Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.9	Very high	88.2	Confident	84 Å²	84	52.2 Å²	52.2	37%	0.368	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.3	177.6	-58.7	-95.3	0	0	0	109	R30 T48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; F32-T48 VanDerWaalsContact O-CA 3.28Å; F32-T48 WeakPolarHBondContact O-CA 3.42Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.06Å; F32-V49 PolarHBondContact O-N 2.79Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; F32-S121 WeakPolarHBondContact CA-O 3.46Å; F32-M122 HydrophobicContact CD1-CB 3.95Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.03Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.49Å; F32-M122 HydrophobicContact CZ-CG 3.91Å
33	H	98.8	Very high	90.7	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.032	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.4	176.3	-62.5	166.2	0	0	0	109.7	F46 I47 T48 Y98 Q120 S121 Y123	H33-F46 HydrophobicContact CB-CE2 3.96Å; H33-F46 HydrophobicContact CB-CZ 4.19Å; H33-F46 AromaticContact CG-CZ 3.95Å; H33-I47 WeakPolarHBondContact CA-O 3.32Å; H33-T48 WeakPolarHBondContact CD2-CB 3.36Å; H33-T48 PolarHBondContact CD2-OG1 3.01Å; H33-T48 PolarHBondContact NE2-OG1 2.92Å; H33-T48 VanDerWaalsContact NE2-OG1 3.12Å; H33-Y98 HydrophobicContact CB-CE1 3.97Å; H33-Y98 AromaticContact ND1-CE2 3.9Å; H33-Y98 AromaticContact ND1-CZ 3.73Å; H33-Y98 PolarHBondContact ND1-OH 2.82Å; H33-Q120 CarbonylContact O-C 3.5Å; H33-Q120 WeakPolarHBondContact O-CA 3.49Å; H33-S121 WeakPolarHBondContact CB-OG 3.35Å; H33-S121 PolarHBondContact N-O 3.05Å; H33-S121 PolarHBondContact ND1-OG 3.3Å; H33-S121 PolarHBondContact O-N 2.83Å; H33-Y123 AromaticContact CE1-CE1 3.3Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.22Å; H33-Y123 AromaticContact CE1-CZ 3.9Å; H33-Y123 AromaticContact ND1-CE1 3.84Å; H33-Y123 AromaticContact NE2-CE1 3.64Å
34	T	98.8	Very high	93.1	Very high	38 Å²	38	50.5 Å²	50.5	23%	0.233	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121	173.4	-57	0	0	0	0	109.1	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CE 4.48Å; T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.31Å; T34-F46 WeakPolarHBondContact O-CA 3.34Å; T34-I47 PolarHBondContact N-O 2.92Å; T34-I47 PolarHBondContact O-N 3.28Å; T34-T118 HydrophobicContact CG2-CG2 4.01Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å
35	A	98.6	Very high	95.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.9	171.4	0	0	0	0	0	110	R45 F46 Y98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.18Å; A35-F46 HydrophobicContact CB-CD2 4.16Å; A35-Y98 HydrophobicContact CB-CD1 3.65Å; A35-Y98 HydrophobicContact CB-CG 4.07Å; A35-L102 HydrophobicContact CB-CD1 3.83Å; A35-T118 CarbonylContact O-C 3.5Å; A35-T118 WeakPolarHBondContact O-CA 3.35Å; A35-L119 PolarHBondContact N-O 3.43Å; A35-L119 PolarHBondContact O-N 3.43Å
36	M	98.3	Very high	96.3	Very high	61 Å²	61	50.4 Å²	50.4	30%	0.3	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116	-178.5	-63.7	167.1	-69.4	0	0	109.3	T34 P44 R45 I47 T118	T34-M36 HydrophobicContact CG2-CE 4.48Å; T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.31Å; M36-P44 CarbonylContact O-C 3.57Å; M36-P44 WeakPolarHBondContact O-CA 3.33Å; M36-P44 WeakPolarHBondContact O-CB 3.25Å; M36-R45 HydrophobicContact CE-CB 4.36Å; M36-R45 HydrophobicContact CE-CG 4.39Å; M36-R45 PolarHBondContact N-O 2.91Å; M36-R45 PolarHBondContact O-N 3.07Å; M36-I47 HydrophobicContact CE-CD1 4.13Å; M36-T118 HydrophobicContact CG-CG2 4.01Å
37	S	97.4	Very high	96.7	Very high	19 Å²	19	49.2 Å²	49.2	13%	0.133	27%	0.266	C	S	.	.			trans	-68.9	149.9	171.3	74.5	0	0	0	0	110.2	S116 H117	S37-S116 PolarHBondContact O-OG 2.93Å; S37-H117 PolarHBondContact N-O 3.13Å; S37-H117 PolarHBondContact OG-N 3.18Å; S37-H117 PolarHBondContact OG-O 3.07Å
38	R	95.5	Very high	96.8	Very high	76 Å²	76	47.9 Å²	47.9	29%	0.287	26%	0.26	S	S	.	.			trans	-141.6	73.8	179.8	53.8	174.3	176.2	-159.7	-11.2	111	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.18Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 VanDerWaalsContact CD-O 3.3Å; R38-R41 WeakPolarHBondContact CD-O 3.41Å; R38-R41 HydrophobicContact CG-CB 4.21Å; R38-R41 PolarHBondContact NE-O 3.43Å; R38-R41 VanDerWaalsContact NE-O 3.17Å; R38-R41 PolarHBondContact O-N 3.18Å; R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 2.91Å; R38-E43 PolarHBondContact NH2-O 3.25Å; R38-D63 IonicContact CZ-OD1 3.38Å; R38-D63 IonicContact CZ-OD2 3.12Å; R38-D63 IonicContact NH1-OD1 3.98Å; R38-D63 PolarHBondContact NH1-OD1 3.47Å; R38-D63 IonicContact NH1-OD2 3.36Å; R38-D63 PolarHBondContact NH1-OD2 2.87Å; R38-D63 IonicContact NH2-OD1 2.84Å; R38-D63 PolarHBondContact NH2-OD1 3.24Å; R38-D63 IonicContact NH2-OD2 3.04Å
39	P	91.8	Very high	96.9	Very high	55 Å²	55	48.1 Å²	48.1	36%	0.357	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	130.2	-176.4	-26.9	34.6	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.92Å; P39-E113 WeakPolarHBondContact CB-O 3.41Å; P39-E113 VanDerWaalsContact CG-O 3.22Å; P39-E113 WeakPolarHBondContact CG-O 3.38Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å
40	G	90.8	Very high	96.9	Very high	89 Å²	89	48.1 Å²	48.1	92%	0.918	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	2.4	-178.1	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.18Å
41	R	93.2	Very high	96.9	Very high	210 Å²	210	49 Å²	49	79%	0.792	26%	0.264	S	S	*	.	S	Bend	trans	-124.1	23	-180	-58.9	-175.1	-178.9	-177.5	0.8	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 VanDerWaalsContact CD-O 3.3Å; R38-R41 WeakPolarHBondContact CD-O 3.41Å; R38-R41 HydrophobicContact CG-CB 4.21Å; R38-R41 PolarHBondContact NE-O 3.43Å; R38-R41 VanDerWaalsContact NE-O 3.17Å; R38-R41 PolarHBondContact O-N 3.18Å; P39-R41 PolarHBondContact O-N 2.92Å
42	G	91.8	Very high	96.9	Very high	58 Å²	58	48.7 Å²	48.7	60%	0.598	26%	0.262	S	S	*	.	S	Bend	trans	99	-166	178.8	0	0	0	0	0	113.9
43	E	94.9	Very high	96.7	Very high	85 Å²	85	46 Å²	46	40%	0.397	25%	0.252	S	S	.	.	S	Bend	trans	-69.1	154.3	-178.9	-69.9	-63.9	165.3	0	0	112.2	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 2.91Å; R38-E43 PolarHBondContact NH2-O 3.25Å; E43-R45 PolarHBondContact O-N 2.84Å; E43-R99 WeakPolarHBondContact OE2-CD 3.4Å; E43-R99 IonicContact OE2-CZ 2.81Å; E43-R99 IonicContact OE2-NE 3.65Å; E43-R99 PolarHBondContact OE2-NE 2.96Å; E43-R99 IonicContact OE2-NH1 3.43Å; E43-R99 IonicContact OE2-NH2 3.85Å; E43-R103 IonicContact OE2-NH2 2.72Å
44	P	96.8	Very high	96.5	Very high	21 Å²	21	48.7 Å²	48.7	14%	0.136	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-52.2	135.5	174.9	-26.3	35	0	0	0	112.2	M36 R99 L102	M36-P44 CarbonylContact O-C 3.57Å; M36-P44 WeakPolarHBondContact O-CA 3.33Å; M36-P44 WeakPolarHBondContact O-CB 3.25Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.11Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.98Å
45	R	98.2	Very high	96.4	Very high	80 Å²	80	47.7 Å²	47.7	30%	0.302	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	130.7	174.1	-176.6	-179	-175.7	180	-0.6	108.9	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.18Å; M36-R45 HydrophobicContact CE-CB 4.36Å; M36-R45 HydrophobicContact CE-CG 4.39Å; M36-R45 PolarHBondContact N-O 2.91Å; M36-R45 PolarHBondContact O-N 3.07Å; E43-R45 PolarHBondContact O-N 2.84Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; R45-D61 IonicContact CZ-OD1 3.62Å; R45-D61 IonicContact CZ-OD2 3.47Å; R45-D61 IonicContact NE-OD1 2.76Å; R45-D61 PolarHBondContact NE-OD1 2.94Å; R45-D61 IonicContact NE-OD2 2.7Å; R45-D61 IonicContact NH2-OD1 3.64Å; R45-D61 PolarHBondContact NH2-OD1 2.95Å; R45-D61 IonicContact NH2-OD2 3.41Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R45-S62 WeakPolarHBondContact CA-OG 3.34Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.36Å; R45-D63 HydrophobicContact CG-CB 4.34Å; R45-D63 IonicContact NE-OD2 2.65Å
46	F	98.7	Very high	96.3	Very high	2 Å²	2	50 Å²	50	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.8	176.4	179.4	-100.2	0	0	0	110.3	H33 T34 A35 T48 F60 S62 N94 T95 Y98	H33-F46 HydrophobicContact CB-CE2 3.96Å; H33-F46 HydrophobicContact CB-CZ 4.19Å; H33-F46 AromaticContact CG-CZ 3.95Å; T34-F46 WeakPolarHBondContact O-CA 3.34Å; A35-F46 HydrophobicContact CB-CD2 4.16Å; F46-T48 HydrophobicContact CE1-CG2 3.71Å; F46-T48 HydrophobicContact CZ-CG2 4.27Å; F46-F60 HydrophobicContact CD1-CD1 4.01Å; F46-F60 AromaticContact CD1-CE1 3.97Å; F46-F60 HydrophobicContact CD1-CE1 3.97Å; F46-F60 HydrophobicContact CE1-CD1 4.33Å; F46-S62 PolarHBondContact N-OG 3.45Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-S62 PolarHBondContact O-OG 2.93Å; F46-N94 HydrophobicContact CE1-CB 4.04Å; F46-N94 HydrophobicContact CE2-CB 4.32Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; F46-T95 HydrophobicContact CB-CG2 3.93Å; F46-T95 VanDerWaalsContact CD1-OG1 3.24Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.49Å; F46-Y98 HydrophobicContact CD2-CD1 4.37Å; F46-Y98 HydrophobicContact CD2-CD2 4.35Å; F46-Y98 AromaticContact CD2-CG 3.99Å; F46-Y98 HydrophobicContact CD2-CG 3.99Å; F46-Y98 HydrophobicContact CE2-CD1 4.09Å; F46-Y98 AromaticContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CE1 4.4Å; F46-Y98 HydrophobicContact CE2-CE2 4.07Å; F46-Y98 AromaticContact CE2-CG 3.75Å; F46-Y98 HydrophobicContact CE2-CG 3.75Å
47	I	98.8	Very high	96.3	Very high	34 Å²	34	47.1 Å²	47.1	17%	0.174	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.3	175.7	-56.2	174.9	0	0	0	107.6	H33 T34 M36 R45 F60	H33-I47 WeakPolarHBondContact CA-O 3.32Å; T34-I47 PolarHBondContact N-O 2.92Å; T34-I47 PolarHBondContact O-N 3.28Å; M36-I47 HydrophobicContact CE-CD1 4.13Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; I47-F60 WeakPolarHBondContact CA-O 3.4Å
48	T	98.8	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.8	169	168.4	0	0	0	0	109.9	F32 H33 F46 R59 F60	F32-T48 VanDerWaalsContact O-CA 3.28Å; F32-T48 WeakPolarHBondContact O-CA 3.42Å; H33-T48 WeakPolarHBondContact CD2-CB 3.36Å; H33-T48 PolarHBondContact CD2-OG1 3.01Å; H33-T48 PolarHBondContact NE2-OG1 2.92Å; H33-T48 VanDerWaalsContact NE2-OG1 3.12Å; F46-T48 HydrophobicContact CE1-CG2 3.71Å; F46-T48 HydrophobicContact CZ-CG2 4.27Å; T48-R59 CarbonylContact O-C 3.59Å; T48-R59 WeakPolarHBondContact O-CA 3.5Å; T48-F60 HydrophobicContact CG2-CB 3.58Å; T48-F60 HydrophobicContact CG2-CD1 4.19Å; T48-F60 HydrophobicContact CG2-CG 4.22Å; T48-F60 PolarHBondContact N-O 3.38Å; T48-F60 PolarHBondContact O-N 3.08Å
49	V	98.9	Very high	96.5	Very high	29 Å²	29	46.7 Å²	46.7	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.4	173.4	-67.7	0	0	0	0	109.6	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.06Å; F32-V49 PolarHBondContact O-N 2.79Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; V49-L56 HydrophobicContact CB-CD1 3.71Å; V49-L56 HydrophobicContact CG1-CD1 4.03Å; V49-V58 WeakPolarHBondContact CA-O 3.31Å; V49-R59 HydrophobicContact CG1-CB 4.32Å; V49-R59 HydrophobicContact CG1-CG 4.16Å
50	G	98.7	Very high	96.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.2	176.3	0	0	0	0	0	110.6	R30 F57 V58	R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.21Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 2.65Å; G50-V58 PolarHBondContact N-O 2.84Å; G50-V58 PolarHBondContact O-N 3.3Å
51	Y	98.5	Very high	97.2	Very high	73 Å²	73	40.8 Å²	40.8	29%	0.286	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.6	178	-77.2	-102	0	0	0	110.3	M29 R30 F32 V49 T55 L56	M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 WeakPolarHBondContact CA-O 3.48Å; R30-Y51 PolarHBondContact N-O 3.06Å; R30-Y51 PolarHBondContact O-N 2.84Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; Y51-T55 WeakPolarHBondContact CA-O 3.15Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-L56 HydrophobicContact CD1-CB 4.17Å; Y51-L56 VanDerWaalsContact CD1-N 3.33Å; Y51-L56 HydrophobicContact CD2-CD1 4.05Å; Y51-L56 HydrophobicContact CE1-CB 3.63Å; Y51-L56 HydrophobicContact CE1-CD1 4.42Å; Y51-L56 HydrophobicContact CE2-CB 4.28Å; Y51-L56 HydrophobicContact CE2-CD1 3.49Å; Y51-L56 VanDerWaalsContact CE2-CD1 3.49Å; Y51-L56 HydrophobicContact CE2-CG 4.46Å
52	V	97.9	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.3	156.6	176.2	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 WeakPolarHBondContact O-CA 3.24Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; V52-D54 PolarHBondContact O-N 3.22Å; V52-T55 PolarHBondContact N-O 3.23Å; V52-T55 WeakPolarHBondContact O-CA 3.18Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 2.87Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.42Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.34Å; V52-L192 HydrophobicContact CG1-CD1 3.64Å; V52-L192 HydrophobicContact CG2-CD1 4.29Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.35Å; V52-L203 HydrophobicContact CB-CD2 4.29Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.14Å
53	D	95.6	Very high	97.7	Very high	29 Å²	29	32.6 Å²	32.6	16%	0.155	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-124.7	-165.4	-52.1	-38.4	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.29Å; H27-D53 IonicContact CE1-OD2 3.96Å; H27-D53 IonicContact CG-OD2 3.31Å; H27-D53 IonicContact ND1-OD1 3.58Å; H27-D53 IonicContact ND1-OD2 3.91Å; H27-D53 PolarHBondContact ND1-OD2 3.18Å; S28-D53 PolarHBondContact N-OD1 3.34Å; S28-D53 PolarHBondContact O-N 2.93Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	95.5	Very high	97.8	Very high	63 Å²	63	30.2 Å²	30.2	34%	0.337	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	11.7	177.9	-61.7	-56.9	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.22Å; D54-Y233 HydrophobicContact CB-CE2 3.96Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.14Å; D54-A235 PolarHBondContact OD2-N 2.9Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.76Å
55	T	95.8	Very high	97.8	Very high	17 Å²	17	36.7 Å²	36.7	10%	0.104	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.5	-176.7	-58.1	0	0	0	0	111.8	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.15Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 3.23Å; V52-T55 WeakPolarHBondContact O-CA 3.18Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 2.87Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 3.29Å; T55-L203 HydrophobicContact CG2-CD2 4.16Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.45Å; T55-Y233 PolarHBondContact OG1-OH 3.42Å
56	L	97.2	Very high	97.7	Very high	50 Å²	50	36.3 Å²	36.3	26%	0.262	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	125	171.9	178.4	70.4	0	0	0	110.1	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.71Å; V49-L56 HydrophobicContact CG1-CD1 4.03Å; Y51-L56 HydrophobicContact CD1-CB 4.17Å; Y51-L56 VanDerWaalsContact CD1-N 3.33Å; Y51-L56 HydrophobicContact CD2-CD1 4.05Å; Y51-L56 HydrophobicContact CE1-CB 3.63Å; Y51-L56 HydrophobicContact CE1-CD1 4.42Å; Y51-L56 HydrophobicContact CE2-CB 4.28Å; Y51-L56 HydrophobicContact CE2-CD1 3.49Å; Y51-L56 VanDerWaalsContact CE2-CD1 3.49Å; Y51-L56 HydrophobicContact CE2-CG 4.46Å; L56-R72 HydrophobicContact CD2-CB 3.92Å; L56-R72 HydrophobicContact CD2-CG 3.9Å; L56-R72 HydrophobicContact CG-CB 3.76Å; L56-R72 HydrophobicContact CG-CG 4.06Å; L56-R72 CarbonylContact O-C 3.4Å
57	F	97.8	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-24	-179.3	78.1	-84.5	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 AromaticContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.5Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 2.65Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 3.29Å; F57-R72 PolarHBondContact O-N 2.93Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.19Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.07Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CZ3 4.02Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.03Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; F57-I76 HydrophobicContact CD2-CB 4.36Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 3.98Å; F57-I76 HydrophobicContact CE2-CD1 4.19Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.11Å; F57-Y195 HydrophobicContact CE2-CD2 4.23Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.27Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å
58	V	98.6	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.4	176.4	-74.2	0	0	0	0	112.6	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.85Å; V49-V58 WeakPolarHBondContact CA-O 3.31Å; G50-V58 PolarHBondContact N-O 2.84Å; G50-V58 PolarHBondContact O-N 3.3Å; V58-K69 HydrophobicContact CB-CD 4.21Å; V58-K69 HydrophobicContact CB-CG 4.2Å; V58-K69 HydrophobicContact CG1-CG 4.27Å; V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 2.94Å; V58-I76 HydrophobicContact CG1-CG1 4.32Å; V58-W84 HydrophobicContact CG1-CH2 4.1Å; V58-W84 HydrophobicContact CG1-CZ3 3.94Å
59	R	98.6	Very high	97.6	Very high	86 Å²	86	43.7 Å²	43.7	33%	0.325	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.2	173.2	177	176.7	172.4	139.6	1.4	110.8	T48 V49 D61 E70 R72	T48-R59 CarbonylContact O-C 3.59Å; T48-R59 WeakPolarHBondContact O-CA 3.5Å; V49-R59 HydrophobicContact CG1-CB 4.32Å; V49-R59 HydrophobicContact CG1-CG 4.16Å; R59-D61 IonicContact NH2-OD2 2.74Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; R59-E70 PolarHBondContact N-O 2.94Å; R59-E70 PolarHBondContact O-N 2.81Å; R59-R72 HydrophobicContact CB-CG 3.95Å
60	F	98.8	Very high	97.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144	163	169.1	-76.2	0	0	0	109	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 HydrophobicContact CD1-CD1 4.01Å; F46-F60 AromaticContact CD1-CE1 3.97Å; F46-F60 HydrophobicContact CD1-CE1 3.97Å; F46-F60 HydrophobicContact CE1-CD1 4.33Å; I47-F60 WeakPolarHBondContact CA-O 3.4Å; T48-F60 HydrophobicContact CG2-CB 3.58Å; T48-F60 HydrophobicContact CG2-CD1 4.19Å; T48-F60 HydrophobicContact CG2-CG 4.22Å; T48-F60 PolarHBondContact N-O 3.38Å; T48-F60 PolarHBondContact O-N 3.08Å; F60-P67 HydrophobicContact CE2-CB 3.71Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.45Å; F60-K69 HydrophobicContact CB-CD 4.01Å; F60-S91 VanDerWaalsContact CD2-CB 3.47Å; F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4.19Å
61	D	98.6	Very high	97.5	Very high	18 Å²	18	48 Å²	48	10%	0.096	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	120	178.8	-162.1	-30.2	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.62Å; R45-D61 IonicContact CZ-OD2 3.47Å; R45-D61 IonicContact NE-OD1 2.76Å; R45-D61 PolarHBondContact NE-OD1 2.94Å; R45-D61 IonicContact NE-OD2 2.7Å; R45-D61 IonicContact NH2-OD1 3.64Å; R45-D61 PolarHBondContact NH2-OD1 2.95Å; R45-D61 IonicContact NH2-OD2 3.41Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R59-D61 IonicContact NH2-OD2 2.74Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; D61-D63 PolarHBondContact O-N 3.29Å; D61-D63 PolarHBondContact OD1-N 2.87Å; D61-A64 HydrophobicContact CB-CB 4.49Å; D61-A64 WeakPolarHBondContact O-CB 3.4Å; D61-A64 PolarHBondContact O-N 3.17Å
62	S	98.3	Very high	97.5	Very high	27 Å²	27	50.3 Å²	50.3	19%	0.189	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.9	-178	68.9	0	0	0	0	113.4	R45 F46 A64	R45-S62 WeakPolarHBondContact CA-OG 3.34Å; F46-S62 PolarHBondContact N-OG 3.45Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-S62 PolarHBondContact O-OG 2.93Å; S62-A64 VanDerWaalsContact C-N 3.35Å
63	D	97.4	Very high	97.3	Very high	68 Å²	68	50.6 Å²	50.6	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.7	179.5	-80.5	5.2	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.38Å; R38-D63 IonicContact CZ-OD2 3.12Å; R38-D63 IonicContact NH1-OD1 3.98Å; R38-D63 PolarHBondContact NH1-OD1 3.47Å; R38-D63 IonicContact NH1-OD2 3.36Å; R38-D63 PolarHBondContact NH1-OD2 2.87Å; R38-D63 IonicContact NH2-OD1 2.84Å; R38-D63 PolarHBondContact NH2-OD1 3.24Å; R38-D63 IonicContact NH2-OD2 3.04Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.36Å; R45-D63 HydrophobicContact CG-CB 4.34Å; R45-D63 IonicContact NE-OD2 2.65Å; D61-D63 PolarHBondContact O-N 3.29Å; D61-D63 PolarHBondContact OD1-N 2.87Å
64	A	97	Very high	97.3	Very high	35 Å²	35	54 Å²	54	29%	0.289	29%	0.289	S	S	.	.	S	Bend	trans	-63.2	148.8	173.7	0	0	0	0	0	111	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.49Å; D61-A64 WeakPolarHBondContact O-CB 3.4Å; D61-A64 PolarHBondContact O-N 3.17Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 2.91Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.42Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 3.29Å
65	T	96.2	Very high	97.3	Very high	158 Å²	158	51.9 Å²	51.9	97%	0.969	28%	0.276	S	S	*	.	S	Bend	trans	-56.8	-33.9	178.9	-50.7	0	0	0	0	112.7
66	S	96.3	Very high	97.4	Very high	72 Å²	72	51 Å²	51	50%	0.503	27%	0.272	S	S	.	.	S	Bend	trans	-133.9	86.1	174.1	-175.6	0	0	0	0	108.7	A64 R68	A64-S66 PolarHBondContact O-N 2.91Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.98Å; S66-R68 VanDerWaalsContact O-N 3.07Å
67	P	97.1	Very high	97.3	Very high	36 Å²	36	54.7 Å²	54.7	23%	0.234	29%	0.287	C	S	.	.			trans	-62.7	113.1	-174.5	-23.8	34.9	0	0	0	111.7	F60 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.71Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; A64-P67 WeakPolarHBondContact O-CD 3.42Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 3.29Å; P67-K92 WeakPolarHBondContact O-CE 3.39Å
68	R	98.1	Very high	97.2	Very high	144 Å²	144	60.4 Å²	60.4	54%	0.543	31%	0.314	S	S	.	.			trans	-140.6	157.8	176.9	-65.1	-170.6	179.5	-158.1	-3.3	110	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.45Å; S66-R68 PolarHBondContact O-N 2.98Å; S66-R68 VanDerWaalsContact O-N 3.07Å; R68-E70 PolarHBondContact O-N 3.42Å; R68-T88 HydrophobicContact CB-CG2 4.33Å; R68-T88 HydrophobicContact CG-CG2 4.22Å
69	K	98.4	Very high	97.1	Very high	11 Å²	11	60.9 Å²	60.9	5%	0.048	32%	0.316	C	S	.	.			trans	-72.7	123.9	169	-163.3	77.2	145.6	-170.5	0	107.3	V58 F60 W84 E87 T88	V58-K69 HydrophobicContact CB-CD 4.21Å; V58-K69 HydrophobicContact CB-CG 4.2Å; V58-K69 HydrophobicContact CG1-CG 4.27Å; F60-K69 HydrophobicContact CB-CD 4.01Å; K69-W84 HydrophobicContact CB-CE3 4.28Å; K69-W84 HydrophobicContact CG-CE3 4.42Å; K69-W84 HydrophobicContact CG-CZ3 4.21Å; K69-E87 HydrophobicContact CB-CB 3.96Å; K69-E87 HydrophobicContact CD-CB 4.46Å; K69-E87 HydrophobicContact CG-CB 3.84Å; K69-T88 PolarHBondContact N-OG1 3.17Å
70	E	98.3	Very high	97	Very high	70 Å²	70	58.1 Å²	58.1	33%	0.327	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.3	-174.4	-65.1	174	162.4	0	0	110.4	V58 R59 R68 R72	V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 2.94Å; R59-E70 PolarHBondContact N-O 2.94Å; R59-E70 PolarHBondContact O-N 2.81Å; R68-E70 PolarHBondContact O-N 3.42Å; E70-R72 IonicContact OE2-CZ 3.35Å; E70-R72 IonicContact OE2-NH2 2.9Å; E70-R72 PolarHBondContact OE2-NH2 2.98Å
71	P	98.2	Very high	97	Very high	48 Å²	48	62.1 Å²	62.1	31%	0.312	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	146.4	172.2	28.9	-34.1	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.65Å; P71-E77 HydrophobicContact CB-CG 3.77Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.95Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.21Å; P71-W84 HydrophobicContact CG-CZ2 4.36Å
72	R	97.3	Very high	96.9	Very high	123 Å²	123	68.3 Å²	68.3	46%	0.464	37%	0.369	S	S	.	.			trans	-131.1	-0.7	174.8	-61.5	-64.6	172.4	-172.6	0.3	113.4	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.92Å; L56-R72 HydrophobicContact CD2-CG 3.9Å; L56-R72 HydrophobicContact CG-CB 3.76Å; L56-R72 HydrophobicContact CG-CG 4.06Å; L56-R72 CarbonylContact O-C 3.4Å; F57-R72 PolarHBondContact O-N 2.93Å; R59-R72 HydrophobicContact CB-CG 3.95Å; E70-R72 IonicContact OE2-CZ 3.35Å; E70-R72 IonicContact OE2-NH2 2.9Å; E70-R72 PolarHBondContact OE2-NH2 2.98Å
73	A	95.2	Very high	96.9	Very high	5 Å²	5	67.4 Å²	67.4	4%	0.041	36%	0.362	C	S	.	.	S	Bend	trans	-135.2	144.6	172.7	0	0	0	0	0	110.5	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 2.79Å; A73-I76 WeakPolarHBondContact O-CG2 3.43Å; A73-I76 PolarHBondContact O-N 2.03Å
74	P	95.3	Very high	97	Very high	102 Å²	102	66.1 Å²	66.1	66%	0.662	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-59.7	-36.3	-177.4	-26.3	35	0	0	0	114.1	I76 E77	P74-I76 PolarHBondContact O-N 2.98Å; P74-E77 WeakPolarHBondContact O-CB 3.03Å; P74-E77 PolarHBondContact O-N 2.88Å; P74-E77 VanDerWaalsContact O-N 3.15Å
75	W	94.9	Very high	97	Very high	17 Å²	17	69.3 Å²	69.3	6%	0.064	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-70.5	-15.2	-176.3	54.2	-106	0	0	0	114.1	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.42Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.34Å; F57-W75 HydrophobicContact CB-CH2 3.19Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.07Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CZ3 4.02Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.03Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 2.79Å; W75-Q78 WeakPolarHBondContact O-CG 3.36Å; W75-Y195 HydrophobicContact CE3-CD1 4.42Å; W75-Y195 HydrophobicContact CH2-CD2 4.45Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.72Å; W75-Y195 HydrophobicContact CZ3-CD1 3.72Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; W75-N198 HydrophobicContact CB-CB 4.49Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.48Å; W75-L203 HydrophobicContact CZ2-CD1 3.91Å; W75-L203 HydrophobicContact CZ2-CD2 4.32Å
76	I	97.3	Very high	97.1	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-88.5	-19.5	173.8	-162.9	72.4	0	0	0	111.6	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.36Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 3.98Å; F57-I76 HydrophobicContact CE2-CD1 4.19Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.11Å; V58-I76 HydrophobicContact CG1-CG1 4.32Å; P71-I76 HydrophobicContact CB-CG2 3.65Å; A73-I76 WeakPolarHBondContact O-CG2 3.43Å; A73-I76 PolarHBondContact O-N 2.03Å; P74-I76 PolarHBondContact O-N 2.98Å; I76-Q78 PolarHBondContact O-N 2.81Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.48Å; I76-E79 WeakPolarHBondContact O-CG 3.46Å; I76-E79 PolarHBondContact O-N 2.82Å; I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.06Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.22Å; I76-Y195 HydrophobicContact CD1-CD1 3.79Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å
77	E	95.9	Very high	97.2	Very high	126 Å²	126	64.2 Å²	64.2	59%	0.589	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.2	-176.9	-65.2	180	-173.2	0	0	113.1	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.77Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P74-E77 WeakPolarHBondContact O-CB 3.03Å; P74-E77 PolarHBondContact O-N 2.88Å; P74-E77 VanDerWaalsContact O-N 3.15Å; E77-E79 PolarHBondContact O-N 3.02Å
78	Q	95	Very high	97.3	Very high	120 Å²	120	63 Å²	63	56%	0.561	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.8	175.9	70.1	-176.6	20.5	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.36Å; I76-Q78 PolarHBondContact O-N 2.81Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 2.76Å; Q78-N198 PolarHBondContact NE2-OD1 2.81Å
79	E	97.1	Very high	97.3	Very high	11 Å²	11	61.4 Å²	61.4	5%	0.051	31%	0.307	C	S	.	.	S	Bend	trans	-65.2	139.2	175.5	-66.6	-61.2	159.9	0	0	111.2	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.2Å; I76-E79 WeakPolarHBondContact O-CB 3.48Å; I76-E79 WeakPolarHBondContact O-CG 3.46Å; I76-E79 PolarHBondContact O-N 2.82Å; E77-E79 PolarHBondContact O-N 3.02Å; E79-Y83 HydrophobicContact CB-CD1 3.56Å; E79-Y83 HydrophobicContact CB-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; E79-W84 PolarHBondContact O-NE1 3.26Å; E79-R194 IonicContact OE1-CZ 3.5Å; E79-R194 IonicContact OE1-NE 3.07Å; E79-R194 PolarHBondContact OE1-NE 3.09Å; E79-R194 IonicContact OE1-NH2 3.58Å; E79-R194 PolarHBondContact OE1-NH2 2.83Å; E79-R194 IonicContact OE2-CZ 3.68Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 3.87Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; E79-N198 PolarHBondContact OE1-ND2 2.87Å
80	G	96.7	Very high	97.3	Very high	28 Å²	28	64.2 Å²	64.2	29%	0.289	32%	0.322	S	S	.	.			trans	-69.6	168.1	-174.7	0	0	0	0	0	114.2	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.26Å; G80-Y83 WeakPolarHBondContact O-CB 3.48Å; G80-Y83 PolarHBondContact O-N 3.12Å; G80-Y83 VanDerWaalsContact O-N 3.11Å; G80-W84 VanDerWaalsContact O-CD1 3.23Å; G80-W84 PolarHBondContact O-N 2.72Å
81	P	97.5	Very high	97.3	Very high	86 Å²	86	60.9 Å²	60.9	56%	0.558	31%	0.307	S	S	*	.	H	α-helix	trans	-58.5	-33.2	179.7	24.9	-33.7	0	0	0	112.9	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.74Å; P81-W84 PolarHBondContact O-N 3.36Å; P81-D85 WeakPolarHBondContact O-CB 3.46Å; P81-D85 PolarHBondContact O-N 3.17Å
82	E	97.9	Very high	97.3	Very high	147 Å²	147	62.9 Å²	62.9	69%	0.687	31%	0.31	S	S	*	.	H	α-helix	trans	-62.6	-35.6	178.5	-58.8	88.1	176.2	0	0	112.4	G80 R86	G80-E82 PolarHBondContact O-N 3.26Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 2.63Å
83	Y	98	Very high	97.3	Very high	9 Å²	9	60.4 Å²	60.4	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-52.2	174.5	171.6	-94	0	0	0	110.1	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CD1 3.56Å; E79-Y83 HydrophobicContact CB-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; G80-Y83 WeakPolarHBondContact O-CB 3.48Å; G80-Y83 PolarHBondContact O-N 3.12Å; G80-Y83 VanDerWaalsContact O-N 3.11Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.74Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.72Å; Y83-R86 PolarHBondContact O-N 2.69Å; Y83-E87 HydrophobicContact CD1-CG 4.23Å; Y83-E87 HydrophobicContact CD2-CG 4.05Å; Y83-E87 HydrophobicContact CE1-CG 3.89Å; Y83-E87 HydrophobicContact CE2-CG 3.67Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.42Å; Y83-E87 WeakPolarHBondContact O-CG 3.38Å; Y83-E87 PolarHBondContact O-N 3.11Å; Y83-W191 AromaticContact CD2-CH2 3.76Å; Y83-W191 HydrophobicContact CD2-CH2 3.76Å; Y83-W191 HydrophobicContact CD2-CZ2 4.39Å; Y83-W191 HydrophobicContact CD2-CZ3 4Å; Y83-W191 HydrophobicContact CE2-CE3 4.44Å; Y83-W191 HydrophobicContact CE2-CH2 4.13Å; Y83-W191 HydrophobicContact CE2-CZ3 4.01Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.3Å; Y83-Y195 PolarHBondContact OH-OH 3.13Å
84	W	98.4	Very high	97.5	Very high	40 Å²	40	61.9 Å²	61.9	15%	0.152	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-39	-177.3	-65.8	113	0	0	0	113.2	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.1Å; V58-W84 HydrophobicContact CG1-CZ3 3.94Å; K69-W84 HydrophobicContact CB-CE3 4.28Å; K69-W84 HydrophobicContact CG-CE3 4.42Å; K69-W84 HydrophobicContact CG-CZ3 4.21Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.95Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.21Å; P71-W84 HydrophobicContact CG-CZ2 4.36Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.06Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.22Å; E79-W84 PolarHBondContact O-NE1 3.26Å; G80-W84 VanDerWaalsContact O-CD1 3.23Å; G80-W84 PolarHBondContact O-N 2.72Å; P81-W84 PolarHBondContact O-N 3.36Å; W84-T88 WeakPolarHBondContact O-CB 3.2Å; W84-T88 PolarHBondContact O-N 3.37Å; W84-T88 PolarHBondContact O-OG1 2.95Å
85	D	98.3	Very high	97.6	Very high	102 Å²	102	57.6 Å²	57.6	55%	0.545	29%	0.288	S	S	.	.	H	α-helix	trans	-67	-44	176.3	-76.2	-20.2	0	0	0	111.2	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.46Å; P81-D85 PolarHBondContact O-N 3.17Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.72Å; D85-T88 PolarHBondContact O-N 2.8Å; D85-Q89 WeakPolarHBondContact O-CB 3.28Å; D85-Q89 PolarHBondContact O-N 3.38Å
86	R	98.1	Very high	97.8	Very high	104 Å²	104	60.8 Å²	60.8	39%	0.392	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-51	176.4	-172.7	-175.3	69.8	-158.8	-2.3	111.7	E82 Y83 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 2.63Å; Y83-R86 PolarHBondContact O-N 2.69Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.45Å; R86-Q89 PolarHBondContact O-N 3.02Å; R86-Q89 VanDerWaalsContact O-N 3.12Å; R86-I90 HydrophobicContact CG-CD1 4.01Å; R86-I90 WeakPolarHBondContact O-CG1 3.33Å; R86-I90 PolarHBondContact O-N 3.34Å
87	E	98.3	Very high	97.8	Very high	19 Å²	19	63.8 Å²	63.8	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-34.3	-179.4	-66.8	-49.5	124.4	0	0	112.4	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 3.96Å; K69-E87 HydrophobicContact CD-CB 4.46Å; K69-E87 HydrophobicContact CG-CB 3.84Å; Y83-E87 HydrophobicContact CD1-CG 4.23Å; Y83-E87 HydrophobicContact CD2-CG 4.05Å; Y83-E87 HydrophobicContact CE1-CG 3.89Å; Y83-E87 HydrophobicContact CE2-CG 3.67Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.42Å; Y83-E87 WeakPolarHBondContact O-CG 3.38Å; Y83-E87 PolarHBondContact O-N 3.11Å; E87-S91 WeakPolarHBondContact O-CB 3.42Å; E87-S91 PolarHBondContact O-N 3.19Å; E87-S91 PolarHBondContact O-OG 3.3Å
88	T	98.6	Very high	97.9	Very high	10 Å²	10	58.2 Å²	58.2	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-45.5	172	-67.2	0	0	0	0	110.8	R68 K69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.33Å; R68-T88 HydrophobicContact CG-CG2 4.22Å; K69-T88 PolarHBondContact N-OG1 3.17Å; W84-T88 WeakPolarHBondContact O-CB 3.2Å; W84-T88 PolarHBondContact O-N 3.37Å; W84-T88 PolarHBondContact O-OG1 2.95Å; D85-T88 PolarHBondContact O-N 2.8Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.45Å; T88-S91 PolarHBondContact O-N 2.99Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.32Å; T88-K92 PolarHBondContact O-N 2.88Å
89	Q	98.5	Very high	98.1	Very high	111 Å²	111	54.7 Å²	54.7	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-42.3	179.6	-172.3	59	22.7	0	0	111.6	D85 R86 S91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.28Å; D85-Q89 PolarHBondContact O-N 3.38Å; R86-Q89 PolarHBondContact O-N 3.02Å; R86-Q89 VanDerWaalsContact O-N 3.12Å; Q89-S91 VanDerWaalsContact C-N 3.32Å; Q89-S91 PolarHBondContact O-N 2.96Å; Q89-K92 PolarHBondContact O-N 3.35Å; Q89-T93 PolarHBondContact O-N 3.48Å; Q89-T93 PolarHBondContact O-OG1 3.44Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å
90	I	98.1	Very high	98.1	Very high	70 Å²	70	59.6 Å²	59.6	36%	0.359	30%	0.3	S	S	.	.	H	α-helix	trans	-57.1	-46.5	173	-69.1	166.6	0	0	0	110.4	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.01Å; R86-I90 WeakPolarHBondContact O-CG1 3.33Å; R86-I90 PolarHBondContact O-N 3.34Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.18Å; I90-T93 PolarHBondContact O-N 2.75Å; I90-N94 WeakPolarHBondContact O-CB 3.31Å; I90-N94 PolarHBondContact O-N 3.3Å
91	S	98.5	Very high	98.1	Very high	1 Å²	1	60 Å²	60	1%	0.007	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-36.4	179.9	-56.8	0	0	0	0	112.6	F60 E87 T88 Q89 T95	F60-S91 VanDerWaalsContact CD2-CB 3.47Å; E87-S91 WeakPolarHBondContact O-CB 3.42Å; E87-S91 PolarHBondContact O-N 3.19Å; E87-S91 PolarHBondContact O-OG 3.3Å; T88-S91 PolarHBondContact O-N 2.99Å; Q89-S91 VanDerWaalsContact C-N 3.32Å; Q89-S91 PolarHBondContact O-N 2.96Å; S91-T95 PolarHBondContact O-N 3.13Å; S91-T95 PolarHBondContact O-OG1 2.89Å
92	K	98.3	Very high	98.2	Very high	89 Å²	89	56.4 Å²	56.4	39%	0.387	28%	0.275	S	S	.	.	H	α-helix	trans	-68	-41.8	173.8	-74.5	177	177.8	177.2	0	112.4	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4.19Å; P67-K92 WeakPolarHBondContact O-CE 3.39Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CG 3.32Å; T88-K92 PolarHBondContact O-N 2.88Å; Q89-K92 PolarHBondContact O-N 3.35Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.18Å; K92-T95 WeakPolarHBondContact O-CB 3.39Å; K92-T95 PolarHBondContact O-N 2.74Å; K92-Q96 PolarHBondContact O-N 3.26Å
93	T	98.4	Very high	98.1	Very high	71 Å²	71	55.7 Å²	55.7	44%	0.436	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-48.7	173.4	-60.6	0	0	0	0	110.4	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 3.48Å; Q89-T93 PolarHBondContact O-OG1 3.44Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å; I90-T93 PolarHBondContact O-N 2.75Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.25Å; T93-Q96 WeakPolarHBondContact O-CB 3.21Å; T93-Q96 PolarHBondContact O-N 2.85Å; T93-T97 PolarHBondContact O-N 2.94Å; T93-T97 PolarHBondContact O-OG1 3.08Å
94	N	98.2	Very high	98.1	Very high	36 Å²	36	59.2 Å²	59.2	19%	0.193	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-37.3	176.7	-73.8	-19.2	0	0	0	112.2	F46 I90 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.04Å; F46-N94 HydrophobicContact CE2-CB 4.32Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; I90-N94 WeakPolarHBondContact O-CB 3.31Å; I90-N94 PolarHBondContact O-N 3.3Å; N94-Q96 PolarHBondContact O-N 3.28Å; N94-T97 PolarHBondContact O-N 3.4Å; N94-Y98 HydrophobicContact CB-CD2 4.42Å; N94-Y98 WeakPolarHBondContact O-CB 3.46Å; N94-Y98 WeakPolarHBondContact O-CD2 3.45Å; N94-Y98 PolarHBondContact O-N 3.35Å
95	T	98.3	Very high	98	Very high	13 Å²	13	57.7 Å²	57.7	8%	0.08	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-40.2	174.5	-58.5	0	0	0	0	111.8	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.93Å; F46-T95 VanDerWaalsContact CD1-OG1 3.24Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.49Å; S91-T95 PolarHBondContact O-N 3.13Å; S91-T95 PolarHBondContact O-OG1 2.89Å; K92-T95 WeakPolarHBondContact O-CB 3.39Å; K92-T95 PolarHBondContact O-N 2.74Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.25Å; T95-R99 WeakPolarHBondContact O-CB 3.17Å; T95-R99 PolarHBondContact O-N 2.94Å
96	Q	98	Very high	98	Very high	84 Å²	84	55.8 Å²	55.8	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-73.6	-45.4	176.5	-55.6	-50.4	-53.4	0	0	111.7	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.26Å; T93-Q96 WeakPolarHBondContact O-CB 3.21Å; T93-Q96 PolarHBondContact O-N 2.85Å; N94-Q96 PolarHBondContact O-N 3.28Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 2.91Å; Q96-R99 WeakPolarHBondContact O-CB 3.31Å; Q96-R99 PolarHBondContact O-N 3.42Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.26Å; Q96-E100 PolarHBondContact O-N 2.93Å
97	T	97.9	Very high	97.9	Very high	63 Å²	63	52.9 Å²	52.9	39%	0.387	27%	0.268	S	S	.	.	H	α-helix	trans	-57.8	-42.9	178.6	-55.7	0	0	0	0	112.2	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 2.94Å; T93-T97 PolarHBondContact O-OG1 3.08Å; N94-T97 PolarHBondContact O-N 3.4Å; T97-E100 PolarHBondContact O-N 3.03Å; T97-S101 WeakPolarHBondContact O-CB 3.42Å; T97-S101 PolarHBondContact O-N 3.45Å; T97-S101 PolarHBondContact O-OG 3.32Å
98	Y	98.3	Very high	97.9	Very high	8 Å²	8	54.7 Å²	54.7	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-33.9	178.9	-85.2	-108.1	0	0	0	112.3	H33 A35 F46 N94 Q96 S101 L102 L119 S121 Y140	H33-Y98 HydrophobicContact CB-CE1 3.97Å; H33-Y98 AromaticContact ND1-CE2 3.9Å; H33-Y98 AromaticContact ND1-CZ 3.73Å; H33-Y98 PolarHBondContact ND1-OH 2.82Å; A35-Y98 HydrophobicContact CB-CD1 3.65Å; A35-Y98 HydrophobicContact CB-CG 4.07Å; F46-Y98 HydrophobicContact CD2-CD1 4.37Å; F46-Y98 HydrophobicContact CD2-CD2 4.35Å; F46-Y98 AromaticContact CD2-CG 3.99Å; F46-Y98 HydrophobicContact CD2-CG 3.99Å; F46-Y98 HydrophobicContact CE2-CD1 4.09Å; F46-Y98 AromaticContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CD2 3.73Å; F46-Y98 HydrophobicContact CE2-CE1 4.4Å; F46-Y98 HydrophobicContact CE2-CE2 4.07Å; F46-Y98 AromaticContact CE2-CG 3.75Å; F46-Y98 HydrophobicContact CE2-CG 3.75Å; N94-Y98 HydrophobicContact CB-CD2 4.42Å; N94-Y98 WeakPolarHBondContact O-CB 3.46Å; N94-Y98 WeakPolarHBondContact O-CD2 3.45Å; N94-Y98 PolarHBondContact O-N 3.35Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 2.91Å; Y98-S101 PolarHBondContact O-N 3.38Å; Y98-L102 WeakPolarHBondContact O-CB 3.19Å; Y98-L102 WeakPolarHBondContact O-CG 3.32Å; Y98-L102 PolarHBondContact O-N 2.99Å; Y98-L119 HydrophobicContact CD1-CB 4.41Å; Y98-L119 HydrophobicContact CD1-CD2 3.64Å; Y98-L119 HydrophobicContact CD1-CG 3.87Å; Y98-L119 HydrophobicContact CE1-CD2 3.99Å; Y98-L119 HydrophobicContact CE1-CG 3.94Å; Y98-L119 HydrophobicContact CG-CD2 4.38Å; Y98-S121 WeakPolarHBondContact OH-CB 3.32Å; Y98-S121 PolarHBondContact OH-OG 3.37Å; Y98-Y140 WeakPolarHBondContact OH-CE1 3.35Å
99	R	97.8	Very high	97.8	Very high	46 Å²	46	57.4 Å²	57.4	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-46.6	172.4	176.4	-169.5	-60.2	169.6	2.3	111.3	E43 P44 T95 Q96 L102 R103	E43-R99 WeakPolarHBondContact OE2-CD 3.4Å; E43-R99 IonicContact OE2-CZ 2.81Å; E43-R99 IonicContact OE2-NE 3.65Å; E43-R99 PolarHBondContact OE2-NE 2.96Å; E43-R99 IonicContact OE2-NH1 3.43Å; E43-R99 IonicContact OE2-NH2 3.85Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.11Å; T95-R99 WeakPolarHBondContact O-CB 3.17Å; T95-R99 PolarHBondContact O-N 2.94Å; Q96-R99 WeakPolarHBondContact O-CB 3.31Å; Q96-R99 PolarHBondContact O-N 3.42Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.26Å; R99-L102 PolarHBondContact O-N 3.43Å; R99-R103 PolarHBondContact O-N 3.25Å
100	E	97.6	Very high	97.7	Very high	115 Å²	115	59.3 Å²	59.3	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-41.8	175.9	-70	178.5	-177.8	0	0	111.5	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 2.93Å; T97-E100 PolarHBondContact O-N 3.03Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.48Å; E100-R103 WeakPolarHBondContact O-CB 3.45Å; E100-R103 PolarHBondContact O-N 2.89Å; E100-R103 VanDerWaalsContact O-N 3.1Å; E100-N104 PolarHBondContact O-N 3.33Å; E100-N104 PolarHBondContact O-ND2 2.94Å
101	S	98	Very high	97.7	Very high	37 Å²	37	59 Å²	59	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-43.3	177	-60.1	0	0	0	0	111.9	T97 Y98 R103 N104 L105 L119	T97-S101 WeakPolarHBondContact O-CB 3.42Å; T97-S101 PolarHBondContact O-N 3.45Å; T97-S101 PolarHBondContact O-OG 3.32Å; Y98-S101 PolarHBondContact O-N 3.38Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.3Å; S101-N104 PolarHBondContact O-N 3.42Å; S101-L105 WeakPolarHBondContact O-CB 3.48Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 3.43Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å
102	L	98.2	Very high	97.5	Very high	9 Å²	9	62.6 Å²	62.6	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-59.9	-38.7	174.4	-77.5	168.5	0	0	0	112.6	A35 P44 Y98 R99 E100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.83Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.98Å; Y98-L102 WeakPolarHBondContact O-CB 3.19Å; Y98-L102 WeakPolarHBondContact O-CG 3.32Å; Y98-L102 PolarHBondContact O-N 2.99Å; R99-L102 PolarHBondContact O-N 3.43Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.48Å; L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 3.11Å; L102-R106 VanDerWaalsContact O-N 3.12Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	96.4	Very high	97.1	Very high	132 Å²	132	64.8 Å²	64.8	50%	0.498	33%	0.331	S	S	.	.	H	α-helix	trans	-67	-42.6	175.7	-67.5	175.8	-173.9	166.8	1.1	111.6	E43 R99 E100 S101 G107	E43-R103 IonicContact OE2-NH2 2.72Å; R99-R103 PolarHBondContact O-N 3.25Å; E100-R103 WeakPolarHBondContact O-CB 3.45Å; E100-R103 PolarHBondContact O-N 2.89Å; E100-R103 VanDerWaalsContact O-N 3.1Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.3Å; R103-G107 PolarHBondContact O-N 3.46Å
104	N	97.1	Very high	96.8	Very high	83 Å²	83	65.4 Å²	65.4	44%	0.444	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-47.7	178	-71.1	-26	0	0	0	111.8	E100 S101 R106 G107 Y108	E100-N104 PolarHBondContact O-N 3.33Å; E100-N104 PolarHBondContact O-ND2 2.94Å; S101-N104 PolarHBondContact O-N 3.42Å; N104-R106 PolarHBondContact O-N 2.83Å; N104-G107 CarbonylContact O-C 3.58Å; N104-G107 WeakPolarHBondContact O-CA 3.38Å; N104-G107 PolarHBondContact O-N 2.89Å; N104-G107 VanDerWaalsContact O-N 3.07Å; N104-Y108 WeakPolarHBondContact O-CD1 3.34Å; N104-Y108 PolarHBondContact O-N 3.23Å
105	L	97.9	Very high	96.5	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-46.6	179.7	-71.9	165.9	0	0	0	111.3	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.48Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 3.43Å; L105-G107 PolarHBondContact O-N 2.67Å; L105-Y108 PolarHBondContact O-N 3.07Å; L105-Y109 HydrophobicContact CD2-CE2 4.29Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 3.4Å; L105-L119 HydrophobicContact CD1-CB 4.43Å; L105-L119 HydrophobicContact CD1-CD1 3.72Å; L105-L119 HydrophobicContact CD1-CD2 3.9Å; L105-L119 HydrophobicContact CD1-CG 4.23Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4.05Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.36Å; L105-Y147 HydrophobicContact CD2-CD2 4.05Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.28Å
106	R	96.7	Very high	96.4	Very high	63 Å²	63	68 Å²	68	24%	0.238	37%	0.368	C	S	.	.	H	α-helix	trans	-53.6	-40.6	174	-172.5	-176.3	65.5	175.2	10	111.9	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 3.11Å; L102-R106 VanDerWaalsContact O-N 3.12Å; N104-R106 PolarHBondContact O-N 2.83Å; R106-N110 PolarHBondContact O-N 3.44Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.46Å; R106-Q111 PolarHBondContact O-N 2.7Å; R106-E113 IonicContact CZ-OE1 3.71Å; R106-E113 IonicContact NH1-OE1 3.82Å; R106-E113 PolarHBondContact NH1-OE1 3.49Å; R106-E113 IonicContact NH2-OE1 3.72Å; R106-E113 PolarHBondContact NH2-OE1 3.06Å
107	G	96.6	Very high	96.4	Very high	43 Å²	43	64.7 Å²	64.7	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-44.4	174.5	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.46Å; N104-G107 CarbonylContact O-C 3.58Å; N104-G107 WeakPolarHBondContact O-CA 3.38Å; N104-G107 PolarHBondContact O-N 2.89Å; N104-G107 VanDerWaalsContact O-N 3.07Å; L105-G107 PolarHBondContact O-N 2.67Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.85Å; G107-N110 PolarHBondContact O-N 3.31Å; G107-N110 PolarHBondContact O-OD1 2.78Å
108	Y	97.8	Very high	96.5	Very high	56 Å²	56	63.6 Å²	63.6	22%	0.22	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-33.7	-179.9	-63.4	-8.2	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.34Å; N104-Y108 PolarHBondContact O-N 3.23Å; L105-Y108 PolarHBondContact O-N 3.07Å; Y108-I166 HydrophobicContact CD1-CD1 4.2Å; Y108-I166 HydrophobicContact CD2-CB 4.38Å; Y108-I166 HydrophobicContact CD2-CD1 4.34Å; Y108-I166 HydrophobicContact CE1-CG2 4.25Å; Y108-I166 HydrophobicContact CE2-CB 4.15Å; Y108-I166 HydrophobicContact CE2-CG2 3.93Å; Y108-I166 HydrophobicContact CG-CD1 4.09Å; Y108-K170 PolarHBondContact OH-NZ 2.63Å
109	Y	97.7	Very high	96.5	Very high	67 Å²	67	63.4 Å²	63.4	26%	0.263	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.8	177.7	-69.5	-73.9	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.29Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 3.4Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.85Å; Y109-Q111 PolarHBondContact O-N 3.23Å; Y109-Y142 AromaticContact CD2-CD1 3.71Å; Y109-Y142 HydrophobicContact CD2-CD1 3.71Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.49Å; Y109-Y142 HydrophobicContact CE2-CD1 3.49Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.49Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.39Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.84Å; Y109-D161 PolarHBondContact OH-OD2 3.12Å; Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.35Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 HydrophobicContact CG-CB 4.47Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	96.6	Very high	96.5	Very high	152 Å²	152	64.8 Å²	64.8	81%	0.813	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.7	-177.5	-58.1	-58	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.44Å; R106-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 3.31Å; G107-N110 PolarHBondContact O-OD1 2.78Å
111	Q	96.6	Very high	96.6	Very high	62 Å²	62	59.6 Å²	59.6	29%	0.29	33%	0.33	S	S	.	.			trans	-88.1	154.4	-176.3	-70.9	166	-31.4	0	0	112	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.46Å; R106-Q111 PolarHBondContact O-N 2.7Å; Y109-Q111 PolarHBondContact O-N 3.23Å; Q111-H117 PolarHBondContact NE2-CE1 3.06Å; Q111-H117 PolarHBondContact OE1-CE1 3.28Å; Q111-Y142 PolarHBondContact OE1-OH 3.33Å
112	S	94.4	Very high	96.6	Very high	78 Å²	78	58.7 Å²	58.7	55%	0.545	32%	0.322	S	S	.	.			trans	-74.4	154.6	-178.1	76.4	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.23Å; S112-G115 PolarHBondContact O-N 3Å
113	E	91.1	Very high	96.6	Very high	135 Å²	135	59.7 Å²	59.7	63%	0.631	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.3	178.3	-55.7	-152.7	124.9	0	0	114.1	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.41Å; P39-E113 VanDerWaalsContact CG-O 3.22Å; P39-E113 WeakPolarHBondContact CG-O 3.38Å; R106-E113 IonicContact CZ-OE1 3.71Å; R106-E113 IonicContact NH1-OE1 3.82Å; R106-E113 PolarHBondContact NH1-OE1 3.49Å; R106-E113 IonicContact NH2-OE1 3.72Å; R106-E113 PolarHBondContact NH2-OE1 3.06Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	91.7	Very high	96.7	Very high	84 Å²	84	53.4 Å²	53.4	69%	0.694	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.1	179	0	0	0	0	0	112.7	S112	S112-A114 PolarHBondContact O-N 3.23Å
115	G	92.3	Very high	96.8	Very high	20 Å²	20	49.5 Å²	49.5	21%	0.206	28%	0.281	C	S	.	.			trans	-72.2	132.7	179.1	0	0	0	0	0	113.1	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.47Å; S112-G115 PolarHBondContact O-N 3Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 2.98Å
116	S	96.3	Very high	96.8	Very high	83 Å²	83	50.5 Å²	50.5	58%	0.58	29%	0.286	S	S	*	.			trans	-82.7	130.5	165.6	-171.4	0	0	0	0	108.6	S37	S37-S116 PolarHBondContact O-OG 2.93Å
117	H	98.1	Very high	96.8	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.069	28%	0.275	C	S	.	.			trans	-131.9	151.4	-175	-64	-72.9	0	0	0	110.9	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.13Å; S37-H117 PolarHBondContact OG-N 3.18Å; S37-H117 PolarHBondContact OG-O 3.07Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; Q111-H117 PolarHBondContact NE2-CE1 3.06Å; Q111-H117 PolarHBondContact OE1-CE1 3.28Å; G115-H117 PolarHBondContact O-CD2 2.98Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.2Å; H117-Y142 AromaticContact CG-CZ 4Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.91Å; H117-D143 WeakPolarHBondContact CA-OD1 3.45Å; H117-D143 WeakPolarHBondContact CB-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 3.57Å; H117-D143 IonicContact CG-OD1 2.75Å; H117-D143 IonicContact CG-OD2 3.2Å; H117-D143 IonicContact ND1-OD1 3.8Å; H117-D143 IonicContact ND1-OD2 2.8Å; H117-D143 PolarHBondContact ND1-OD2 3.48Å
118	T	98.6	Very high	96.7	Very high	39 Å²	39	45.6 Å²	45.6	24%	0.239	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.7	-177.4	-53.2	0	0	0	0	110.5	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.01Å; A35-T118 CarbonylContact O-C 3.5Å; A35-T118 WeakPolarHBondContact O-CA 3.35Å; M36-T118 HydrophobicContact CG-CG2 4.01Å; T118-Q120 HydrophobicContact CG2-CG 3.99Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.47Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.33Å; T118-D143 PolarHBondContact N-OD1 3.03Å; T118-D143 PolarHBondContact O-N 2.91Å
119	L	98.8	Very high	96.4	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.2	170.5	175.2	61	0	0	0	108.4	A35 Y98 S101 L102 L105 Y140 A141 Y142	A35-L119 PolarHBondContact N-O 3.43Å; A35-L119 PolarHBondContact O-N 3.43Å; Y98-L119 HydrophobicContact CD1-CB 4.41Å; Y98-L119 HydrophobicContact CD1-CD2 3.64Å; Y98-L119 HydrophobicContact CD1-CG 3.87Å; Y98-L119 HydrophobicContact CE1-CD2 3.99Å; Y98-L119 HydrophobicContact CE1-CG 3.94Å; Y98-L119 HydrophobicContact CG-CD2 4.38Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L105-L119 HydrophobicContact CD1-CB 4.43Å; L105-L119 HydrophobicContact CD1-CD1 3.72Å; L105-L119 HydrophobicContact CD1-CD2 3.9Å; L105-L119 HydrophobicContact CD1-CG 4.23Å; L119-Y140 HydrophobicContact CD1-CD1 4.3Å; L119-A141 WeakPolarHBondContact CD1-O 3.22Å; L119-Y142 HydrophobicContact CB-CD2 4.45Å
120	Q	98.8	Very high	96	Very high	76 Å²	76	49.3 Å²	49.3	36%	0.355	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.4	178.5	-67.1	170.2	-87.3	0	0	110.2	H33 T34 T118 Y140 A141	H33-Q120 CarbonylContact O-C 3.5Å; H33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å; T118-Q120 HydrophobicContact CG2-CG 3.99Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 VanDerWaalsContact O-CA 3.28Å; Q120-Y140 WeakPolarHBondContact O-CA 3.15Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 2.92Å; Q120-A141 PolarHBondContact O-N 3.49Å
121	S	98.6	Very high	95.7	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.8	164.6	86.3	0	0	0	0	111.5	F32 H33 Y98 Q139	F32-S121 WeakPolarHBondContact CA-O 3.46Å; H33-S121 WeakPolarHBondContact CB-OG 3.35Å; H33-S121 PolarHBondContact N-O 3.05Å; H33-S121 PolarHBondContact ND1-OG 3.3Å; H33-S121 PolarHBondContact O-N 2.83Å; Y98-S121 WeakPolarHBondContact OH-CB 3.32Å; Y98-S121 PolarHBondContact OH-OG 3.37Å; S121-Q139 CarbonylContact C-O 3.5Å; S121-Q139 WeakPolarHBondContact CA-O 3.49Å; S121-Q139 WeakPolarHBondContact CB-O 3.29Å
122	M	98.6	Very high	95.6	Very high	18 Å²	18	47.8 Å²	47.8	9%	0.089	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.6	166.8	-175.9	-78.5	-70	0	0	108	Y31 F32 H137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.45Å; F32-M122 HydrophobicContact CD1-CB 3.95Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.03Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.49Å; F32-M122 HydrophobicContact CZ-CG 3.91Å; M122-H137 HydrophobicContact CE-CB 3.87Å; M122-H137 HydrophobicContact SD-CB 4.01Å; M122-D138 WeakPolarHBondContact O-CA 3.49Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 2.93Å; M122-Q139 PolarHBondContact O-N 3.21Å
123	Y	98.6	Very high	95.7	Very high	30 Å²	30	46.4 Å²	46.4	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.3	172	68.4	-78.7	0	0	0	110.3	Y31 H33 H137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.43Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.42Å; Y31-Y123 AromaticContact CD2-CE2 3.84Å; Y31-Y123 HydrophobicContact CD2-CE2 3.84Å; Y31-Y123 AromaticContact CD2-CZ 3.89Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.26Å; Y31-Y123 AromaticContact CG-CZ 3.83Å; Y31-Y123 PolarHBondContact N-O 3.01Å; Y31-Y123 PolarHBondContact O-N 2.9Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; H33-Y123 AromaticContact CE1-CE1 3.3Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.22Å; H33-Y123 AromaticContact CE1-CZ 3.9Å; H33-Y123 AromaticContact ND1-CE1 3.84Å; H33-Y123 AromaticContact NE2-CE1 3.64Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.49Å; Y123-H137 VanDerWaalsContact CB-O 3.26Å; Y123-H137 WeakPolarHBondContact CB-O 3.29Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.86Å; Y123-Y183 HydrophobicContact CE2-CE1 3.86Å
124	G	98.6	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-178.4	-177.9	0	0	0	0	0	113.7	M29 H137 L184	M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; G124-H137 PolarHBondContact N-O 3.49Å; G124-H137 PolarHBondContact O-N 3.33Å; G124-L184 VanDerWaalsContact O-CD2 3.23Å; G124-L184 WeakPolarHBondContact O-CD2 3.31Å
125	C	98.6	Very high	96.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.8	-174.9	50.6	0	0	0	0	110.7	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.5Å; M29-C125 PolarHBondContact N-O 2.96Å; M29-C125 PolarHBondContact O-N 3.42Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.28Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.45Å; C125-C188 PolarHBondContact N-SG 3.02Å; C125-C188 WeakPolarHBondContact SG-CB 3.38Å; C125-C188 PolarHBondContact SG-O 2.94Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.07Å; C125-V189 HydrophobicContact CB-CG2 4.35Å
126	D	98.1	Very high	96.5	Very high	29 Å²	29	45.9 Å²	45.9	16%	0.155	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.3	171.6	-53.3	-25.1	0	0	0	108.1	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.4Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å; R30-D126 IonicContact CZ-OD1 3.56Å; R30-D126 IonicContact NE-OD1 3.82Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 VanDerWaalsContact NE-OD1 3.12Å; R30-D126 VanDerWaalsContact NH2-CG 3.3Å; R30-D126 IonicContact NH2-OD1 3.95Å; R30-D126 PolarHBondContact NH2-OD1 3.01Å; R30-D126 IonicContact NH2-OD2 3.99Å; R30-D126 PolarHBondContact NH2-OD2 2.59Å; D126-L134 PolarHBondContact O-N 2.93Å; D126-R135 HydrophobicContact CB-CB 4.32Å; D126-R135 PolarHBondContact N-O 3.43Å; D126-R135 PolarHBondContact O-N 3.5Å; D126-H137 IonicContact OD1-NE2 3.7Å; D126-H137 IonicContact OD2-CD2 3.71Å; D126-H137 IonicContact OD2-CE1 2.79Å; D126-H137 IonicContact OD2-NE2 2.93Å; D126-H137 PolarHBondContact OD2-NE2 3.41Å
127	V	96.9	Very high	96.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.5	179.4	-60.6	0	0	0	0	111	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.56Å; S26-V127 VanDerWaalsContact CA-O 3.28Å; S26-V127 WeakPolarHBondContact CA-O 3.28Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 3.32Å; H27-V127 PolarHBondContact O-N 2.93Å; V127-R132 CarbonylContact C-O 3.56Å; V127-R132 WeakPolarHBondContact CA-O 3.29Å; V127-R132 WeakPolarHBondContact CB-O 3.35Å; V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; V127-L192 HydrophobicContact CB-CD2 4.32Å; V127-L192 HydrophobicContact CG1-CD2 3.91Å; V127-L192 HydrophobicContact CG2-CD2 3.56Å; V127-L192 HydrophobicContact CG2-CG 4.19Å
128	G	94.1	Very high	96.6	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.031	21%	0.211	C	C	.	.			trans	-80.6	-179	174.1	0	0	0	0	0	112.3	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.53Å; G128-D130 PolarHBondContact O-N 2.96Å; G128-G131 WeakPolarHBondContact O-CA 3.31Å; G128-G131 PolarHBondContact O-N 3.48Å; G128-R132 PolarHBondContact N-O 3.44Å
129	P	90.6	Very high	96.6	Very high	104 Å²	104	44.4 Å²	44.4	68%	0.675	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.6	176.9	-23.2	32.9	0	0	0	114.1	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.07Å; P129-G131 PolarHBondContact O-N 3.31Å
130	D	90.4	Very high	96.6	Very high	96 Å²	96	45.6 Å²	45.6	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.8	173.9	70.6	-11.6	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.96Å; D130-R132 PolarHBondContact O-N 3.46Å; D130-R132 WeakPolarHBondContact OD1-CB 3.35Å; D130-R132 PolarHBondContact OD1-N 2.91Å; D130-R132 WeakPolarHBondContact OD2-CD 3.22Å; D130-R132 WeakPolarHBondContact OD2-CG 3.41Å; D130-R132 IonicContact OD2-CZ 3.52Å; D130-R132 IonicContact OD2-NE 3.01Å; D130-R132 IonicContact OD2-NH1 2.87Å
131	G	90.3	Very high	96.6	Very high	13 Å²	13	42.8 Å²	42.8	13%	0.134	21%	0.213	C	C	.	.	S	Bend	trans	72.1	4.6	-177.7	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.31Å; G128-G131 PolarHBondContact O-N 3.48Å; P129-G131 PolarHBondContact O-N 3.31Å; G131-V189 WeakPolarHBondContact O-CG1 3.16Å; G131-R193 VanDerWaalsContact C-NH2 3.3Å; G131-R193 PolarHBondContact O-NE 2.89Å; G131-R193 PolarHBondContact O-NH2 3.29Å
132	R	94.7	Very high	96.6	Very high	169 Å²	169	43 Å²	43	64%	0.638	21%	0.213	S	C	*	.			trans	-80.4	150.5	-179.6	-64.4	-174.3	-177.8	162.3	-3.1	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.56Å; V127-R132 WeakPolarHBondContact CA-O 3.29Å; V127-R132 WeakPolarHBondContact CB-O 3.35Å; G128-R132 PolarHBondContact N-O 3.44Å; D130-R132 PolarHBondContact O-N 3.46Å; D130-R132 WeakPolarHBondContact OD1-CB 3.35Å; D130-R132 PolarHBondContact OD1-N 2.91Å; D130-R132 WeakPolarHBondContact OD2-CD 3.22Å; D130-R132 WeakPolarHBondContact OD2-CG 3.41Å; D130-R132 IonicContact OD2-CZ 3.52Å; D130-R132 IonicContact OD2-NE 3.01Å; D130-R132 IonicContact OD2-NH1 2.87Å; R132-L134 PolarHBondContact O-N 3.35Å
133	L	97.1	Very high	96.6	Very high	50 Å²	50	45.1 Å²	45.1	26%	0.262	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	123.4	175.6	-174.8	72	0	0	0	110.1	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; L133-L154 HydrophobicContact CD2-CD1 4.15Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 3.89Å
134	L	96.8	Very high	96.5	Very high	116 Å²	116	46.6 Å²	46.6	61%	0.607	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94	-44.8	168.1	-65.1	178.4	0	0	0	110.7	D126 R132	D126-L134 PolarHBondContact O-N 2.93Å; R132-L134 PolarHBondContact O-N 3.35Å
135	R	96.7	Very high	96.5	Very high	106 Å²	106	54.3 Å²	54.3	40%	0.4	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	137.3	-175.6	-172.6	173.2	176.5	134.8	8.3	111.6	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.28Å; D126-R135 HydrophobicContact CB-CB 4.32Å; D126-R135 PolarHBondContact N-O 3.43Å; D126-R135 PolarHBondContact O-N 3.5Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; R135-H137 WeakPolarHBondContact CD-CE1 3.47Å; R135-H137 PolarHBondContact NE-CE1 2.89Å; R135-E152 IonicContact CZ-OE1 2.77Å; R135-E152 IonicContact NH1-OE1 2.75Å; R135-E152 PolarHBondContact NH1-OE1 2.82Å; R135-E152 IonicContact NH2-OE1 3.7Å; R135-E152 PolarHBondContact NH2-OE1 3.18Å
136	G	98	Very high	96.5	Very high	5 Å²	5	60.5 Å²	60.5	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149	167.8	0	0	0	0	0	110.9
137	H	98.2	Very high	96.6	Very high	20 Å²	20	59.5 Å²	59.5	9%	0.093	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.7	179.5	-54.3	-97.1	0	0	0	109.7	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.18Å; R30-H137 VanDerWaalsContact NH2-NE2 3.13Å; M122-H137 HydrophobicContact CE-CB 3.87Å; M122-H137 HydrophobicContact SD-CB 4.01Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.49Å; Y123-H137 VanDerWaalsContact CB-O 3.26Å; Y123-H137 WeakPolarHBondContact CB-O 3.29Å; G124-H137 PolarHBondContact N-O 3.49Å; G124-H137 PolarHBondContact O-N 3.33Å; D126-H137 IonicContact OD1-NE2 3.7Å; D126-H137 IonicContact OD2-CD2 3.71Å; D126-H137 IonicContact OD2-CE1 2.79Å; D126-H137 IonicContact OD2-NE2 2.93Å; D126-H137 PolarHBondContact OD2-NE2 3.41Å; R135-H137 WeakPolarHBondContact CD-CE1 3.47Å; R135-H137 PolarHBondContact NE-CE1 2.89Å
138	D	98.5	Very high	96.7	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	106	164.5	-174.5	18.8	0	0	0	108.7	M122 Y140 L150 R180	M122-D138 WeakPolarHBondContact O-CA 3.49Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.23Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.36Å; D138-L150 HydrophobicContact CB-CB 3.98Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 WeakPolarHBondContact O-CB 3.43Å; D138-L150 PolarHBondContact O-N 2.84Å; D138-R180 VanDerWaalsContact OD2-CD 3.24Å; D138-R180 WeakPolarHBondContact OD2-CD 3.36Å; D138-R180 WeakPolarHBondContact OD2-CG 3.36Å; D138-R180 IonicContact OD2-CZ 2.99Å; D138-R180 IonicContact OD2-NE 2.7Å; D138-R180 PolarHBondContact OD2-NE 3.28Å; D138-R180 IonicContact OD2-NH2 3.62Å
139	Q	98.5	Very high	96.9	Very high	86 Å²	86	60.9 Å²	60.9	40%	0.402	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.1	-173.9	64.3	-172.6	45.7	0	0	111.8	S121 M122 A149	S121-Q139 CarbonylContact C-O 3.5Å; S121-Q139 WeakPolarHBondContact CA-O 3.49Å; S121-Q139 WeakPolarHBondContact CB-O 3.29Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 2.93Å; M122-Q139 PolarHBondContact O-N 3.21Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	Y	98.8	Very high	97.3	Very high	28 Å²	28	56.6 Å²	56.6	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.5	-176.8	-67.7	-103.9	0	0	0	110.7	Y98 L119 Q120 D138 Y147 I148 W171 R180	Y98-Y140 WeakPolarHBondContact OH-CE1 3.35Å; L119-Y140 HydrophobicContact CD1-CD1 4.3Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 VanDerWaalsContact O-CA 3.28Å; Q120-Y140 WeakPolarHBondContact O-CA 3.15Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.23Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.36Å; Y140-Y147 WeakPolarHBondContact O-CB 3.42Å; Y140-Y147 PolarHBondContact O-N 2.93Å; Y140-I148 HydrophobicContact CD2-CG2 4.16Å; Y140-I148 HydrophobicContact CG-CG2 4.43Å; Y140-I148 PolarHBondContact N-O 3.01Å; Y140-I148 PolarHBondContact O-N 2.79Å; Y140-W171 AromaticContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CZ3 4.31Å; Y140-W171 AromaticContact CE2-CH2 3.54Å; Y140-W171 HydrophobicContact CE2-CH2 3.54Å; Y140-W171 HydrophobicContact CE2-CZ3 4.12Å; Y140-W171 AromaticContact CZ-CH2 3.93Å; Y140-R180 PolarHBondContact OH-NH2 3.04Å; Y140-R180 VanDerWaalsContact OH-NH2 3.11Å
141	A	98.8	Very high	97.7	Very high	17 Å²	17	54.2 Å²	54.2	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.5	174.3	0	0	0	0	0	110.7	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.22Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 2.92Å; Q120-A141 PolarHBondContact O-N 3.49Å; A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.34Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.18Å
142	Y	98.7	Very high	98	Very high	11 Å²	11	60.1 Å²	60.1	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128	177.4	-174	-121.3	0	0	0	110.3	L102 L105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4.05Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.41Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.71Å; Y109-Y142 HydrophobicContact CD2-CD1 3.71Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.49Å; Y109-Y142 HydrophobicContact CE2-CD1 3.49Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.49Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 PolarHBondContact OE1-OH 3.33Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.2Å; H117-Y142 AromaticContact CG-CZ 4Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.91Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.47Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.33Å; L119-Y142 HydrophobicContact CB-CD2 4.45Å; Y142-G144 PolarHBondContact O-N 3.35Å; Y142-K145 PolarHBondContact N-O 3.31Å; Y142-K145 PolarHBondContact O-N 2.97Å
143	D	98.1	Very high	98.1	Very high	62 Å²	62	55.8 Å²	55.8	33%	0.332	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	39.9	-174.6	-66.6	-21.7	0	0	0	113.3	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.45Å; H117-D143 WeakPolarHBondContact CB-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 3.57Å; H117-D143 IonicContact CG-OD1 2.75Å; H117-D143 IonicContact CG-OD2 3.2Å; H117-D143 IonicContact ND1-OD1 3.8Å; H117-D143 IonicContact ND1-OD2 2.8Å; H117-D143 PolarHBondContact ND1-OD2 3.48Å; T118-D143 PolarHBondContact N-OD1 3.03Å; T118-D143 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.18Å
144	G	97.1	Very high	98.1	Very high	61 Å²	61	53.8 Å²	53.8	63%	0.629	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	8.6	177.8	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.35Å
145	K	98.4	Very high	98.2	Very high	162 Å²	162	56.2 Å²	56.2	70%	0.704	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.5	176.3	-62.3	-180	-178.2	178.4	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.34Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.18Å; Y142-K145 PolarHBondContact N-O 3.31Å; Y142-K145 PolarHBondContact O-N 2.97Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.18Å; K145-Y147 PolarHBondContact O-N 3.25Å
146	D	98.6	Very high	98.2	Very high	130 Å²	130	53.1 Å²	53.1	70%	0.695	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	136.8	174.5	-65.5	-20.6	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.32Å; D146-A160 WeakPolarHBondContact O-CB 3.24Å
147	Y	98.8	Very high	98.2	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-65.3	179.6	179.8	-109.9	0	0	0	110.4	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.36Å; L105-Y147 HydrophobicContact CD2-CD2 4.05Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.28Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.39Å; Y140-Y147 WeakPolarHBondContact O-CB 3.42Å; Y140-Y147 PolarHBondContact O-N 2.93Å; K145-Y147 PolarHBondContact O-N 3.25Å; Y147-A160 WeakPolarHBondContact O-CB 3.31Å; Y147-A160 PolarHBondContact O-N 2.72Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A163 PolarHBondContact OH-O 2.87Å; Y147-A164 HydrophobicContact CD2-CB 3.8Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 2.97Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.35Å; Y147-T167 PolarHBondContact OH-OG1 2.99Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	142	178.5	-161.8	173.2	0	0	0	110.2	Y140 W157 T158 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 4.16Å; Y140-I148 HydrophobicContact CG-CG2 4.43Å; Y140-I148 PolarHBondContact N-O 3.01Å; Y140-I148 PolarHBondContact O-N 2.79Å; I148-W157 HydrophobicContact CD1-CB 4.14Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.24Å; I148-W157 HydrophobicContact CD1-CG 4.4Å; I148-W157 HydrophobicContact CG1-CB 4.26Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; I148-T158 WeakPolarHBondContact CA-O 3.21Å; I148-T158 WeakPolarHBondContact CG1-O 3.42Å; I148-T167 HydrophobicContact CD1-CG2 4.07Å; I148-Q168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.05Å; I148-W171 HydrophobicContact CD1-CZ3 4.26Å; I148-W171 HydrophobicContact CG2-CE3 4.44Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.64Å
149	A	98.8	Very high	98.3	Very high	29 Å²	29	57.3 Å²	57.3	24%	0.24	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.5	178.3	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.17Å; A149-T158 PolarHBondContact N-O 2.75Å; A149-T158 PolarHBondContact O-N 2.82Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	56 Å²	56	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.4	169.1	-174.6	65.8	0	0	0	108.4	D138 L154 W157 A177 R180 L184	D138-L150 HydrophobicContact CB-CB 3.98Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 WeakPolarHBondContact O-CB 3.43Å; D138-L150 PolarHBondContact O-N 2.84Å; L150-L154 HydrophobicContact CD2-CB 4.49Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.02Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.12Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.88Å; L150-W157 HydrophobicContact CD1-CZ3 4.23Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å
151	N	98.4	Very high	98.2	Very high	45 Å²	45	57.3 Å²	57.3	24%	0.241	32%	0.318	C	S	.	.			trans	-72	162.7	179.8	-67.4	-30.6	0	0	0	111.1	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.9Å; N151-L154 PolarHBondContact O-N 2.82Å; N151-S156 WeakPolarHBondContact CB-O 3.25Å; N151-S156 WeakPolarHBondContact CB-OG 3.45Å; N151-S156 PolarHBondContact N-O 2.77Å; N151-S156 PolarHBondContact ND2-O 3.42Å; N151-S156 PolarHBondContact ND2-OG 2.79Å; N151-T158 PolarHBondContact ND2-OG1 3.13Å; N151-T158 WeakPolarHBondContact OD1-CB 3.24Å; N151-T158 PolarHBondContact OD1-OG1 3.07Å
152	E	97.1	Very high	98.2	Very high	137 Å²	137	61.8 Å²	61.8	64%	0.64	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	-179.8	-65.2	-179.2	-176	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 2.77Å; R135-E152 IonicContact NH1-OE1 2.75Å; R135-E152 PolarHBondContact NH1-OE1 2.82Å; R135-E152 IonicContact NH2-OE1 3.7Å; R135-E152 PolarHBondContact NH2-OE1 3.18Å; E152-L154 PolarHBondContact O-N 2.89Å
153	D	97.2	Very high	98.2	Very high	78 Å²	78	61.5 Å²	61.5	42%	0.417	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.6	174	70.5	3.8	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.9Å; D153-R155 WeakPolarHBondContact O-CG 3.39Å; D153-R155 PolarHBondContact O-N 3.38Å; D153-R155 PolarHBondContact OD1-N 2.96Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 PolarHBondContact OD2-OG 2.86Å
154	L	97.8	Very high	98.2	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.047	33%	0.328	C	S	.	.	S	Bend	trans	53.3	28.1	-175	-53.6	-179	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.15Å; L150-L154 HydrophobicContact CD2-CB 4.49Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; N151-L154 PolarHBondContact O-N 2.82Å; E152-L154 PolarHBondContact O-N 2.89Å; L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.82Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L154-E185 HydrophobicContact CD1-CG 4.24Å
155	R	97.4	Very high	98.3	Very high	167 Å²	167	59.1 Å²	59.1	63%	0.63	31%	0.314	S	S	*	.	S	Bend	trans	-134.2	-31.2	-174.6	-70.4	172.6	-171.2	-146.3	4.6	112.9	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.39Å; D153-R155 PolarHBondContact O-N 3.38Å; D153-R155 PolarHBondContact OD1-N 2.96Å; R155-A177 WeakPolarHBondContact O-CB 3.33Å; R155-R181 VanDerWaalsContact NH2-NH1 3.19Å
156	S	97.8	Very high	98.3	Very high	41 Å²	41	54.2 Å²	54.2	29%	0.287	30%	0.295	S	S	.	.			trans	-117.1	160.3	-176.9	62.9	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.25Å; N151-S156 WeakPolarHBondContact CB-OG 3.45Å; N151-S156 PolarHBondContact N-O 2.77Å; N151-S156 PolarHBondContact ND2-O 3.42Å; N151-S156 PolarHBondContact ND2-OG 2.79Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 PolarHBondContact OD2-OG 2.86Å
157	W	98.6	Very high	98.2	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.3	-178.6	-61.6	92.3	0	0	0	110.7	I148 A149 L150 Q168 W171 E176 A177 R180	I148-W157 HydrophobicContact CD1-CB 4.14Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.24Å; I148-W157 HydrophobicContact CD1-CG 4.4Å; I148-W157 HydrophobicContact CG1-CB 4.26Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.17Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.02Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.12Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.88Å; L150-W157 HydrophobicContact CD1-CZ3 4.23Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 2.81Å; W157-W171 AromaticContact CD2-CE3 3.88Å; W157-W171 HydrophobicContact CD2-CE3 3.88Å; W157-W171 HydrophobicContact CD2-CZ3 4.39Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.82Å; W157-W171 HydrophobicContact CE3-CZ3 3.82Å; W157-W171 AromaticContact CH2-CE3 3.48Å; W157-W171 HydrophobicContact CH2-CE3 3.48Å; W157-W171 VanDerWaalsContact CH2-CE3 3.48Å; W157-W171 AromaticContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CH2-CZ3 3.45Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; W157-E176 HydrophobicContact CZ2-CB 4.31Å; W157-A177 HydrophobicContact CZ2-CB 4.36Å; W157-R180 HydrophobicContact CH2-CG 4.36Å
158	T	98.6	Very high	98.2	Very high	79 Å²	79	50.2 Å²	50.2	49%	0.485	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117	167.1	-66.3	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.21Å; I148-T158 WeakPolarHBondContact CG1-O 3.42Å; A149-T158 PolarHBondContact N-O 2.75Å; A149-T158 PolarHBondContact O-N 2.82Å; N151-T158 PolarHBondContact ND2-OG1 3.13Å; N151-T158 WeakPolarHBondContact OD1-CB 3.24Å; N151-T158 PolarHBondContact OD1-OG1 3.07Å
159	A	98.6	Very high	98.2	Very high	24 Å²	24	57.5 Å²	57.5	20%	0.198	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.3	175.3	0	0	0	0	0	110.6	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.42Å
160	A	98.4	Very high	98.2	Very high	60 Å²	60	61.5 Å²	61.5	50%	0.496	31%	0.313	S	S	.	.	S	Bend	trans	-75.3	-30.2	-177.2	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.32Å; D146-A160 WeakPolarHBondContact O-CB 3.24Å; Y147-A160 WeakPolarHBondContact O-CB 3.31Å; Y147-A160 PolarHBondContact O-N 2.72Å
161	D	98.3	Very high	98.2	Very high	54 Å²	54	63.4 Å²	63.4	29%	0.289	32%	0.319	S	S	.	.	S	Bend	trans	-151.2	-176	-178.7	67.3	29.7	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.84Å; Y109-D161 PolarHBondContact OH-OD2 3.12Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 3.36Å; D161-A164 PolarHBondContact O-N 2.88Å; D161-A164 PolarHBondContact OD1-N 3.06Å; D161-Q165 WeakPolarHBondContact O-CG 3.4Å; D161-Q165 PolarHBondContact O-N 3.04Å
162	T	98.2	Very high	98.2	Very high	111 Å²	111	65.9 Å²	65.9	68%	0.681	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.3	-179.2	51.5	0	0	0	0	114
163	A	98	Very high	98.2	Very high	5 Å²	5	63.6 Å²	63.6	4%	0.041	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-43.5	175.2	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.35Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 HydrophobicContact CG-CB 4.47Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A163 PolarHBondContact OH-O 2.87Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 3.36Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.88Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.36Å; A163-I166 PolarHBondContact O-N 2.84Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.4	-33.5	173.9	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.8Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 2.97Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 2.88Å; D161-A164 PolarHBondContact OD1-N 3.06Å; A164-I166 PolarHBondContact O-N 3.21Å; A164-T167 WeakPolarHBondContact O-CB 3.24Å; A164-T167 PolarHBondContact O-N 2.85Å; A164-Q168 PolarHBondContact O-N 3.32Å
165	Q	98.6	Very high	98.3	Very high	73 Å²	73	69.3 Å²	69.3	34%	0.341	36%	0.36	S	S	.	.	H	α-helix	trans	-60.1	-26.9	173.2	-72.9	175.1	12.2	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.4Å; D161-Q165 PolarHBondContact O-N 3.04Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.88Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.78Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.3	Very high	98.3	Very high	60 Å²	60	64 Å²	64	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-66.9	-45.7	174.1	-57.1	171.2	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.2Å; Y108-I166 HydrophobicContact CD2-CB 4.38Å; Y108-I166 HydrophobicContact CD2-CD1 4.34Å; Y108-I166 HydrophobicContact CE1-CG2 4.25Å; Y108-I166 HydrophobicContact CE2-CB 4.15Å; Y108-I166 HydrophobicContact CE2-CG2 3.93Å; Y108-I166 HydrophobicContact CG-CD1 4.09Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.36Å; A163-I166 PolarHBondContact O-N 2.84Å; A164-I166 PolarHBondContact O-N 3.21Å; I166-K170 WeakPolarHBondContact O-CG 3.12Å; I166-K170 PolarHBondContact O-N 3.16Å
167	T	98.3	Very high	98.3	Very high	16 Å²	16	62.5 Å²	62.5	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-45.7	174.8	-69.7	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.35Å; Y147-T167 PolarHBondContact OH-OG1 2.99Å; I148-T167 HydrophobicContact CD1-CG2 4.07Å; A164-T167 WeakPolarHBondContact O-CB 3.24Å; A164-T167 PolarHBondContact O-N 2.85Å; T167-R169 PolarHBondContact O-N 2.86Å; T167-K170 WeakPolarHBondContact O-CB 3.41Å; T167-K170 PolarHBondContact O-N 3.34Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.59Å; T167-W171 VanDerWaalsContact CG2-CE2 3.43Å; T167-W171 HydrophobicContact CG2-CE3 4.03Å; T167-W171 HydrophobicContact CG2-CG 4.04Å; T167-W171 HydrophobicContact CG2-CH2 4.17Å; T167-W171 HydrophobicContact CG2-CZ2 3.76Å; T167-W171 HydrophobicContact CG2-CZ3 4.29Å; T167-W171 PolarHBondContact O-N 3.43Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	67.4 Å²	67.4	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-51.7	-52.8	178.1	177.1	173.5	12.4	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.87Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 2.81Å; A159-Q168 HydrophobicContact CB-CB 4.42Å; A164-Q168 PolarHBondContact O-N 3.32Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.86Å; Q168-W171 PolarHBondContact O-N 3.39Å; Q168-W171 VanDerWaalsContact O-N 3.17Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.43Å; Q168-E172 PolarHBondContact NE2-OE1 3.05Å; Q168-E172 WeakPolarHBondContact O-CB 3.28Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 2.84Å
169	R	98.6	Very high	98.2	Very high	156 Å²	156	69.5 Å²	69.5	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-60.3	-37.3	-179.9	-68.5	170.2	-165.8	158.3	8.4	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.78Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 2.86Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 3.45Å
170	K	98.1	Very high	98.2	Very high	113 Å²	113	72.1 Å²	72.1	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-67.2	-45.1	176.6	-72.5	178	175.5	-173.8	0	111.5	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.63Å; I166-K170 WeakPolarHBondContact O-CG 3.12Å; I166-K170 PolarHBondContact O-N 3.16Å; T167-K170 WeakPolarHBondContact O-CB 3.41Å; T167-K170 PolarHBondContact O-N 3.34Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.86Å; K170-A173 PolarHBondContact O-N 3.19Å; K170-A174 WeakPolarHBondContact O-CB 3.27Å; K170-A174 PolarHBondContact O-N 2.87Å
171	W	98.3	Very high	98.2	Very high	55 Å²	55	72.7 Å²	72.7	21%	0.208	35%	0.354	C	S	.	.	H	α-helix	trans	-69.7	-36.2	-179.1	-74.2	3.8	0	0	0	112.5	Y140 I148 W157 T167 Q168 A174 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CH2 3.86Å; Y140-W171 HydrophobicContact CD2-CZ3 4.31Å; Y140-W171 AromaticContact CE2-CH2 3.54Å; Y140-W171 HydrophobicContact CE2-CH2 3.54Å; Y140-W171 HydrophobicContact CE2-CZ3 4.12Å; Y140-W171 AromaticContact CZ-CH2 3.93Å; I148-W171 HydrophobicContact CD1-CE3 4.05Å; I148-W171 HydrophobicContact CD1-CZ3 4.26Å; I148-W171 HydrophobicContact CG2-CE3 4.44Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.64Å; W157-W171 AromaticContact CD2-CE3 3.88Å; W157-W171 HydrophobicContact CD2-CE3 3.88Å; W157-W171 HydrophobicContact CD2-CZ3 4.39Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.82Å; W157-W171 HydrophobicContact CE3-CZ3 3.82Å; W157-W171 AromaticContact CH2-CE3 3.48Å; W157-W171 HydrophobicContact CH2-CE3 3.48Å; W157-W171 VanDerWaalsContact CH2-CE3 3.48Å; W157-W171 AromaticContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CH2-CZ3 3.45Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.45Å; W157-W171 HydrophobicContact CZ2-CD2 4.44Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; T167-W171 HydrophobicContact CG2-CD2 3.59Å; T167-W171 VanDerWaalsContact CG2-CE2 3.43Å; T167-W171 HydrophobicContact CG2-CE3 4.03Å; T167-W171 HydrophobicContact CG2-CG 4.04Å; T167-W171 HydrophobicContact CG2-CH2 4.17Å; T167-W171 HydrophobicContact CG2-CZ2 3.76Å; T167-W171 HydrophobicContact CG2-CZ3 4.29Å; T167-W171 PolarHBondContact O-N 3.43Å; Q168-W171 PolarHBondContact O-N 3.39Å; Q168-W171 VanDerWaalsContact O-N 3.17Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 2.89Å; W171-R175 WeakPolarHBondContact O-CA 3.48Å; W171-R175 PolarHBondContact O-N 3.25Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.13Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 3.46Å
172	E	98.4	Very high	98.2	Very high	97 Å²	97	73.3 Å²	73.3	45%	0.453	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-45.8	171.3	-73.1	170.1	174.5	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.43Å; Q168-E172 PolarHBondContact NE2-OE1 3.05Å; Q168-E172 WeakPolarHBondContact O-CB 3.28Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 2.84Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 2.6Å; E172-R175 PolarHBondContact O-N 2.81Å; E172-R175 VanDerWaalsContact O-N 3.15Å
173	A	98.3	Very high	98.2	Very high	88 Å²	88	70.4 Å²	70.4	73%	0.727	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-35.8	176.9	0	0	0	0	0	112.8	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 3.45Å; K170-A173 PolarHBondContact O-N 3.19Å; A173-R175 VanDerWaalsContact C-N 3.35Å
174	A	98	Very high	98.2	Very high	52 Å²	52	70.2 Å²	70.2	43%	0.43	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.2	176.9	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.27Å; K170-A174 PolarHBondContact O-N 2.87Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 2.89Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 2.6Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 2.82Å
175	R	97.7	Very high	98.2	Very high	155 Å²	155	74.6 Å²	74.6	59%	0.585	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	38.8	-177.1	-55.2	-177.2	175.6	-155.1	3.1	113.9	W171 E172 A173 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.48Å; W171-R175 PolarHBondContact O-N 3.25Å; E172-R175 PolarHBondContact O-N 2.81Å; E172-R175 VanDerWaalsContact O-N 3.15Å; A173-R175 VanDerWaalsContact C-N 3.35Å; R175-A177 PolarHBondContact O-N 2.81Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE2 3.27Å; R175-E178 IonicContact NH1-OE1 3.43Å; R175-E178 PolarHBondContact NH1-OE1 3.41Å; R175-E178 IonicContact NH1-OE2 3.74Å; R175-E178 WeakPolarHBondContact O-CB 3.46Å; R175-E178 PolarHBondContact O-N 2.69Å
176	E	97.7	Very high	98.1	Very high	56 Å²	56	72.2 Å²	72.2	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-32.2	-178.4	-67	-68.7	174.6	0	0	112.7	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.31Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CD2-CG 4.5Å; W171-E176 HydrophobicContact CG-CB 4.13Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 3.46Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 2.82Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 3.31Å; E176-Q179 PolarHBondContact O-N 2.77Å; E176-R180 WeakPolarHBondContact O-CG 3.5Å; E176-R180 PolarHBondContact O-N 2.86Å
177	A	98.2	Very high	98.1	Very high	10 Å²	10	74.3 Å²	74.3	8%	0.083	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-35.1	176.4	0	0	0	0	0	112.4	L150 R155 W157 R175 R180 R181	L150-A177 HydrophobicContact CD1-CB 4Å; R155-A177 WeakPolarHBondContact O-CB 3.33Å; W157-A177 HydrophobicContact CZ2-CB 4.36Å; R175-A177 PolarHBondContact O-N 2.81Å; A177-R180 PolarHBondContact O-N 3Å; A177-R181 WeakPolarHBondContact O-CB 3.39Å; A177-R181 PolarHBondContact O-N 3.45Å
178	E	97.9	Very high	98.1	Very high	113 Å²	113	73.6 Å²	73.6	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-40.9	177.9	-63.8	178.2	-179.2	0	0	111.1	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE2 3.27Å; R175-E178 IonicContact NH1-OE1 3.43Å; R175-E178 PolarHBondContact NH1-OE1 3.41Å; R175-E178 IonicContact NH1-OE2 3.74Å; R175-E178 WeakPolarHBondContact O-CB 3.46Å; R175-E178 PolarHBondContact O-N 2.69Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 3.31Å; E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 3.43Å
179	Q	96.9	Very high	98.1	Very high	122 Å²	122	72 Å²	72	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-67.5	-45.1	176.9	-61.4	-177.8	41.3	0	0	111.5	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 2.77Å; Q179-A182 PolarHBondContact O-N 3.42Å; Q179-Y183 PolarHBondContact O-N 3.26Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å
180	R	97.9	Very high	98.1	Very high	79 Å²	79	70.8 Å²	70.8	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-44.9	176.5	-70.7	-57.1	-165	-146.6	-4	111.9	D138 Y140 L150 W157 E176 A177 A182 Y183 L184	D138-R180 VanDerWaalsContact OD2-CD 3.24Å; D138-R180 WeakPolarHBondContact OD2-CD 3.36Å; D138-R180 WeakPolarHBondContact OD2-CG 3.36Å; D138-R180 IonicContact OD2-CZ 2.99Å; D138-R180 IonicContact OD2-NE 2.7Å; D138-R180 PolarHBondContact OD2-NE 3.28Å; D138-R180 IonicContact OD2-NH2 3.62Å; Y140-R180 PolarHBondContact OH-NH2 3.04Å; Y140-R180 VanDerWaalsContact OH-NH2 3.11Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; W157-R180 HydrophobicContact CH2-CG 4.36Å; E176-R180 WeakPolarHBondContact O-CG 3.5Å; E176-R180 PolarHBondContact O-N 2.86Å; A177-R180 PolarHBondContact O-N 3Å; R180-A182 PolarHBondContact O-N 2.89Å; R180-Y183 PolarHBondContact O-N 3.15Å; R180-L184 WeakPolarHBondContact O-CB 3.42Å; R180-L184 WeakPolarHBondContact O-CG 3.48Å; R180-L184 PolarHBondContact O-N 3.39Å
181	R	98.3	Very high	98.1	Very high	73 Å²	73	67.4 Å²	67.4	28%	0.275	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-45.6	175.9	-175.9	173.2	179.3	-135.4	-16.9	112.1	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.82Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; R155-R181 VanDerWaalsContact NH2-NH1 3.19Å; A177-R181 WeakPolarHBondContact O-CB 3.39Å; A177-R181 PolarHBondContact O-N 3.45Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 3.3Å; R181-L184 PolarHBondContact O-N 3.46Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 2.96Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 3.62Å; R181-E185 IonicContact NE-OE1 3.37Å; R181-E185 PolarHBondContact NE-OE1 2.91Å; R181-E185 IonicContact NE-OE2 3.59Å; R181-E185 PolarHBondContact NE-OE2 2.05Å; R181-E185 IonicContact NH2-OE1 2.7Å; R181-E185 PolarHBondContact NH2-OE1 2.86Å; R181-E185 IonicContact NH2-OE2 2.78Å; R181-E185 PolarHBondContact NH2-OE2 3.2Å; R181-E185 WeakPolarHBondContact O-CB 3.19Å; R181-E185 PolarHBondContact O-N 3.48Å
182	A	98.4	Very high	98.1	Very high	66 Å²	66	64.8 Å²	64.8	55%	0.545	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-42.5	178.3	0	0	0	0	0	112.3	E178 Q179 R180 G186	E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 3.43Å; Q179-A182 PolarHBondContact O-N 3.42Å; R180-A182 PolarHBondContact O-N 2.89Å; A182-G186 PolarHBondContact O-N 3.32Å
183	Y	98.2	Very high	98	Very high	50 Å²	50	65.8 Å²	65.8	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-47.2	174.4	171.1	-97.6	0	0	0	112.3	Y123 Q179 R180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.86Å; Y123-Y183 HydrophobicContact CE2-CE1 3.86Å; Q179-Y183 PolarHBondContact O-N 3.26Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å; R180-Y183 PolarHBondContact O-N 3.15Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 3.3Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.42Å; Y183-E187 HydrophobicContact CD2-CB 3.84Å; Y183-E187 HydrophobicContact CE2-CB 4.04Å; Y183-E187 PolarHBondContact O-N 3.3Å; Y183-C188 HydrophobicContact CD1-CB 4.26Å; Y183-C188 HydrophobicContact CE1-CB 3.83Å; Y183-C188 WeakPolarHBondContact O-CB 3.39Å; Y183-C188 PolarHBondContact O-N 3.32Å
184	L	98.6	Very high	97.9	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-68.9	-38.3	-175.5	-70.1	170.3	0	0	0	112.8	G124 L150 L154 R180 R181 V189	G124-L184 VanDerWaalsContact O-CD2 3.23Å; G124-L184 WeakPolarHBondContact O-CD2 3.31Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; R180-L184 WeakPolarHBondContact O-CB 3.42Å; R180-L184 WeakPolarHBondContact O-CG 3.48Å; R180-L184 PolarHBondContact O-N 3.39Å; R181-L184 PolarHBondContact O-N 3.46Å; L184-V189 WeakPolarHBondContact O-CG2 3.21Å
185	E	98.1	Very high	97.8	Very high	92 Å²	92	65 Å²	65	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-80	-22.8	177	-69.6	-179.2	170.6	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L154-E185 HydrophobicContact CD1-CG 4.24Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 2.96Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 3.62Å; R181-E185 IonicContact NE-OE1 3.37Å; R181-E185 PolarHBondContact NE-OE1 2.91Å; R181-E185 IonicContact NE-OE2 3.59Å; R181-E185 PolarHBondContact NE-OE2 2.05Å; R181-E185 IonicContact NH2-OE1 2.7Å; R181-E185 PolarHBondContact NH2-OE1 2.86Å; R181-E185 IonicContact NH2-OE2 2.78Å; R181-E185 PolarHBondContact NH2-OE2 3.2Å; R181-E185 WeakPolarHBondContact O-CB 3.19Å; R181-E185 PolarHBondContact O-N 3.48Å
186	G	97.9	Very high	97.7	Very high	22 Å²	22	58.3 Å²	58.3	23%	0.227	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-97.3	-177.2	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.32Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.42Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.93Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 3.41Å; G186-E190 PolarHBondContact O-N 3.44Å
187	E	97.8	Very high	97.5	Very high	105 Å²	105	61.5 Å²	61.5	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-52.7	-41.3	-170.1	-70.2	-175	-135	0	0	113.6	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.84Å; Y183-E187 HydrophobicContact CE2-CB 4.04Å; Y183-E187 PolarHBondContact O-N 3.3Å; E187-V189 PolarHBondContact O-N 3.38Å; E187-E190 PolarHBondContact O-N 2.94Å; E187-W191 WeakPolarHBondContact O-CB 3.39Å; E187-W191 PolarHBondContact O-N 3.08Å
188	C	98.5	Very high	97.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-48	179.2	-172.8	0	0	0	0	111.5	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.24Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 VanDerWaalsContact CE-SG 3.56Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.45Å; C125-C188 PolarHBondContact N-SG 3.02Å; C125-C188 WeakPolarHBondContact SG-CB 3.38Å; C125-C188 PolarHBondContact SG-O 2.94Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.07Å; Y183-C188 HydrophobicContact CD1-CB 4.26Å; Y183-C188 HydrophobicContact CE1-CB 3.83Å; Y183-C188 WeakPolarHBondContact O-CB 3.39Å; Y183-C188 PolarHBondContact O-N 3.32Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.93Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-L192 WeakPolarHBondContact O-CB 3.23Å; C188-L192 PolarHBondContact O-N 3.44Å
189	V	98.4	Very high	97.1	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-41	179.8	173.1	0	0	0	0	110.9	C125 V127 G131 L133 L184 G186 E187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.35Å; V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.96Å; G131-V189 WeakPolarHBondContact O-CG1 3.16Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 3.89Å; L184-V189 WeakPolarHBondContact O-CG2 3.21Å; G186-V189 PolarHBondContact O-N 3.41Å; E187-V189 PolarHBondContact O-N 3.38Å; V189-L192 PolarHBondContact O-N 2.93Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.04Å; V189-R193 PolarHBondContact O-N 2.85Å
190	E	98.1	Very high	96.8	Very high	129 Å²	129	56.8 Å²	56.8	60%	0.603	26%	0.264	S	S	*	.	H	α-helix	trans	-62.8	-46.4	178	-70	-179.8	174.1	0	0	112.1	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.44Å; E187-E190 PolarHBondContact O-N 2.94Å; E190-R193 PolarHBondContact O-N 3.17Å; E190-R194 PolarHBondContact O-N 3.02Å
191	W	98	Very high	96.2	Very high	43 Å²	43	59.8 Å²	59.8	16%	0.163	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-43.9	176.3	-80.3	112.9	0	0	0	112	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.4Å; Y83-W191 AromaticContact CD2-CH2 3.76Å; Y83-W191 HydrophobicContact CD2-CH2 3.76Å; Y83-W191 HydrophobicContact CD2-CZ2 4.39Å; Y83-W191 HydrophobicContact CD2-CZ3 4Å; Y83-W191 HydrophobicContact CE2-CE3 4.44Å; Y83-W191 HydrophobicContact CE2-CH2 4.13Å; Y83-W191 HydrophobicContact CE2-CZ3 4.01Å; E187-W191 WeakPolarHBondContact O-CB 3.39Å; E187-W191 PolarHBondContact O-N 3.08Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.07Å; W191-R194 PolarHBondContact O-N 3.47Å; W191-Y195 HydrophobicContact CB-CE2 3.96Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE2 4.38Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 PolarHBondContact O-N 3.29Å
192	L	98	Very high	95.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-46.7	176.7	174.7	52.7	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.39Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.64Å; V52-L192 HydrophobicContact CG2-CD1 4.29Å; V127-L192 HydrophobicContact CB-CD2 4.32Å; V127-L192 HydrophobicContact CG1-CD2 3.91Å; V127-L192 HydrophobicContact CG2-CD2 3.56Å; V127-L192 HydrophobicContact CG2-CG 4.19Å; C188-L192 WeakPolarHBondContact O-CB 3.23Å; C188-L192 PolarHBondContact O-N 3.44Å; V189-L192 PolarHBondContact O-N 2.93Å; L192-R194 PolarHBondContact O-N 2.63Å; L192-Y195 PolarHBondContact O-N 2.75Å; L192-L196 HydrophobicContact CD1-CD1 3.89Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.44Å; L192-L196 PolarHBondContact O-N 3.01Å
193	R	96.1	Very high	95	Very high	118 Å²	118	58.9 Å²	58.9	45%	0.445	27%	0.272	S	S	.	.	H	α-helix	trans	-59.6	-43.8	176	-72.2	175	-174.2	173	2	112.4	G131 V189 E190 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.3Å; G131-R193 PolarHBondContact O-NE 2.89Å; G131-R193 PolarHBondContact O-NH2 3.29Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.04Å; V189-R193 PolarHBondContact O-N 2.85Å; E190-R193 PolarHBondContact O-N 3.17Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.07Å; R193-Y195 VanDerWaalsContact C-N 3.34Å; R193-Y195 PolarHBondContact O-N 2.88Å; R193-L196 PolarHBondContact O-N 2.91Å; R193-E197 PolarHBondContact O-N 2.85Å
194	R	96.4	Very high	94.3	Very high	123 Å²	123	61.1 Å²	61.1	46%	0.464	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-43.2	175.8	175.8	175.6	175.3	128	-3.1	111.6	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.5Å; E79-R194 IonicContact OE1-NE 3.07Å; E79-R194 PolarHBondContact OE1-NE 3.09Å; E79-R194 IonicContact OE1-NH2 3.58Å; E79-R194 PolarHBondContact OE1-NH2 2.83Å; E79-R194 IonicContact OE2-CZ 3.68Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 3.87Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; E190-R194 PolarHBondContact O-N 3.02Å; W191-R194 PolarHBondContact O-N 3.47Å; L192-R194 PolarHBondContact O-N 2.63Å; R194-E197 PolarHBondContact O-N 3.45Å; R194-N198 WeakPolarHBondContact O-CB 3.07Å; R194-N198 PolarHBondContact O-N 2.96Å; R194-N198 PolarHBondContact O-ND2 3.02Å; R194-N198 PolarHBondContact O-OD1 3.32Å
195	Y	96.6	Very high	93.9	Very high	1 Å²	1	67.8 Å²	67.8	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-38.1	179.7	-61.9	-26.2	0	0	0	112.9	M29 V52 F57 W75 I76 Y83 W191 L192 R193 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; F57-Y195 HydrophobicContact CE2-CD2 4.23Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.27Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å; W75-Y195 HydrophobicContact CE3-CD1 4.42Å; W75-Y195 HydrophobicContact CH2-CD2 4.45Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.72Å; W75-Y195 HydrophobicContact CZ3-CD1 3.72Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; I76-Y195 HydrophobicContact CD1-CD1 3.79Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.3Å; Y83-Y195 PolarHBondContact OH-OH 3.13Å; W191-Y195 HydrophobicContact CB-CE2 3.96Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE2 4.38Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 PolarHBondContact O-N 3.29Å; L192-Y195 PolarHBondContact O-N 2.75Å; R193-Y195 VanDerWaalsContact C-N 3.34Å; R193-Y195 PolarHBondContact O-N 2.88Å; Y195-N198 PolarHBondContact O-N 2.9Å; Y195-G199 WeakPolarHBondContact O-CA 3.34Å; Y195-G199 PolarHBondContact O-N 2.88Å; Y195-L203 WeakPolarHBondContact O-CD1 3.33Å
196	L	95.2	Very high	93.6	Very high	13 Å²	13	64.9 Å²	64.9	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-44.6	173.1	-69.5	168.8	0	0	0	111.3	H27 V52 L192 R193 G199 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.89Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.44Å; L192-L196 PolarHBondContact O-N 3.01Å; R193-L196 PolarHBondContact O-N 2.91Å; L196-G199 CarbonylContact O-C 3.48Å; L196-G199 PolarHBondContact O-N 3.38Å; L196-K200 WeakPolarHBondContact O-CA 3.44Å; L196-K200 PolarHBondContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å
197	E	94.6	Very high	93.5	Very high	124 Å²	124	65.4 Å²	65.4	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-65.4	-45.6	176.5	-172.3	61.4	-150.3	0	0	111.8	R193 R194 G199 K200	R193-E197 PolarHBondContact O-N 2.85Å; R194-E197 PolarHBondContact O-N 3.45Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.69Å; E197-K200 WeakPolarHBondContact O-CB 3.34Å; E197-K200 PolarHBondContact O-N 3.34Å
198	N	94.6	Very high	93.5	Very high	49 Å²	49	63.4 Å²	63.4	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-36.8	178	-69	-8.4	0	0	0	112.5	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.49Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 2.76Å; Q78-N198 PolarHBondContact NE2-OD1 2.81Å; E79-N198 PolarHBondContact OE1-ND2 2.87Å; R194-N198 WeakPolarHBondContact O-CB 3.07Å; R194-N198 PolarHBondContact O-N 2.96Å; R194-N198 PolarHBondContact O-ND2 3.02Å; R194-N198 PolarHBondContact O-OD1 3.32Å; Y195-N198 PolarHBondContact O-N 2.9Å
199	G	93.1	Very high	93.4	Very high	4 Å²	4	63.8 Å²	63.8	4%	0.041	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	13.3	-174.8	0	0	0	0	0	114.3	Y195 L196 E197 D201 K202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.34Å; Y195-G199 PolarHBondContact O-N 2.88Å; L196-G199 CarbonylContact O-C 3.48Å; L196-G199 PolarHBondContact O-N 3.38Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.69Å; G199-D201 VanDerWaalsContact C-N 3.34Å; G199-D201 PolarHBondContact O-N 2.81Å; G199-K202 CarbonylContact O-C 3.57Å; G199-K202 WeakPolarHBondContact O-CA 3.31Å; G199-K202 PolarHBondContact O-N 2.91Å; G199-L203 PolarHBondContact O-N 2.92Å
200	K	89.6	Confident	93.4	Very high	93 Å²	93	70.9 Å²	70.9	40%	0.404	33%	0.328	S	S	.	.	H	α-helix	trans	-48.6	-48.4	-166.9	-172.5	171.2	-167.4	158.8	0	114.7	L196 E197 K202 E204	L196-K200 WeakPolarHBondContact O-CA 3.44Å; L196-K200 PolarHBondContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.34Å; E197-K200 PolarHBondContact O-N 3.34Å; K200-K202 PolarHBondContact O-N 3Å; K200-E204 WeakPolarHBondContact CE-OE2 3.4Å; K200-E204 HydrophobicContact CG-CG 4.34Å; K200-E204 WeakPolarHBondContact CG-OE2 3.47Å; K200-E204 PolarHBondContact O-N 3.36Å
201	D	86.5	Confident	93.4	Very high	141 Å²	141	66.3 Å²	66.3	75%	0.754	31%	0.309	S	S	*	.	H	α-helix	trans	-59	-22.2	-179.5	-68.4	-19.4	0	0	0	113.7	G199	G199-D201 VanDerWaalsContact C-N 3.34Å; G199-D201 PolarHBondContact O-N 2.81Å
202	K	85.6	Confident	93.4	Very high	117 Å²	117	68.1 Å²	68.1	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-105.5	-62.7	177.6	-65.2	-62.4	-178.3	-178.7	0	110.6	G199 K200 E204 R205 R263	G199-K202 CarbonylContact O-C 3.57Å; G199-K202 WeakPolarHBondContact O-CA 3.31Å; G199-K202 PolarHBondContact O-N 2.91Å; K200-K202 PolarHBondContact O-N 3Å; K202-E204 PolarHBondContact O-N 3.01Å; K202-R205 WeakPolarHBondContact O-CB 3.24Å; K202-R205 PolarHBondContact O-N 2.92Å; K202-R205 VanDerWaalsContact O-N 3.08Å; K202-R263 VanDerWaalsContact O-CZ 3.23Å; K202-R263 PolarHBondContact O-NH1 2.83Å; K202-R263 PolarHBondContact O-NH2 3.42Å
203	L	85.4	Confident	93.4	Very high	4 Å²	4	69.2 Å²	69.2	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-39.6	-166.6	-66.2	172.6	0	0	0	113.2	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.35Å; V52-L203 HydrophobicContact CB-CD2 4.29Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.14Å; T55-L203 HydrophobicContact CG2-CD2 4.16Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.48Å; W75-L203 HydrophobicContact CZ2-CD1 3.91Å; W75-L203 HydrophobicContact CZ2-CD2 4.32Å; Y195-L203 WeakPolarHBondContact O-CD1 3.33Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å; G199-L203 PolarHBondContact O-N 2.92Å; L203-R205 VanDerWaalsContact C-N 3.27Å; L203-R205 PolarHBondContact O-N 3.49Å
204	E	83.5	Confident	93.4	Very high	96 Å²	96	65 Å²	65	45%	0.449	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.6	178.5	-62.1	-175.6	-179	0	0	113.2	K200 K202	K200-E204 WeakPolarHBondContact CE-OE2 3.4Å; K200-E204 HydrophobicContact CG-CG 4.34Å; K200-E204 WeakPolarHBondContact CG-OE2 3.47Å; K200-E204 PolarHBondContact O-N 3.36Å; K202-E204 PolarHBondContact O-N 3.01Å
205	R	89.2	Confident	93.4	Very high	142 Å²	142	61.8 Å²	61.8	54%	0.536	30%	0.303	S	S	.	.			trans	-93.2	111.9	-179.4	179.2	178.7	162.5	155.8	2	110.6	K202 L203 D207 Y233	K202-R205 WeakPolarHBondContact O-CB 3.24Å; K202-R205 PolarHBondContact O-N 2.92Å; K202-R205 VanDerWaalsContact O-N 3.08Å; L203-R205 VanDerWaalsContact C-N 3.27Å; L203-R205 PolarHBondContact O-N 3.49Å; R205-D207 IonicContact CZ-OD1 3.4Å; R205-D207 IonicContact NE-OD1 3.47Å; R205-D207 PolarHBondContact NE-OD1 3.2Å; R205-D207 IonicContact NH2-OD1 2.71Å; R205-D207 PolarHBondContact NH2-OD1 2.86Å; R205-Y233 WeakPolarHBondContact O-CD1 3.43Å
206	A	93	Very high	93.3	Very high	31 Å²	31	65.5 Å²	65.5	26%	0.256	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-80.1	128.8	164.6	0	0	0	0	0	110.8	Y233 E288	A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.36Å; A206-E288 HydrophobicContact CB-CB 4.34Å
207	D	95.1	Very high	93.3	Very high	33 Å²	33	69.6 Å²	69.6	18%	0.176	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-101	119.4	172.9	-71.7	-46.2	0	0	0	108.4	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.4Å; R205-D207 IonicContact NE-OD1 3.47Å; R205-D207 PolarHBondContact NE-OD1 3.2Å; R205-D207 IonicContact NH2-OD1 2.71Å; R205-D207 PolarHBondContact NH2-OD1 2.86Å; D207-F232 WeakPolarHBondContact O-CA 3.5Å; D207-F232 WeakPolarHBondContact O-CB 3.26Å; D207-Y233 PolarHBondContact N-O 3.06Å; D207-Y233 PolarHBondContact O-N 3.12Å; D207-H287 PolarHBondContact O-CE1 3.02Å
208	P	97	Very high	93.1	Very high	63 Å²	63	68.3 Å²	68.3	41%	0.409	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.4	148.9	-177.5	25.5	-32.8	0	0	0	112.4	L290	P208-L290 HydrophobicContact CB-CD2 3.83Å; P208-L290 HydrophobicContact CB-CG 4.4Å
209	P	98.1	Very high	93.1	Very high	9 Å²	9	68.5 Å²	68.5	6%	0.058	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.7	135.4	178.2	28	-35	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.95Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 2.84Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.92Å; P209-H287 HydrophobicContact CG-CB 4.12Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CG 4.24Å
210	K	98.1	Very high	92.9	Very high	156 Å²	156	75.4 Å²	75.4	68%	0.678	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.8	163.7	-63.3	174	-173.4	169.9	0	108	L230	K210-L230 PolarHBondContact N-O 3.07Å; K210-L230 PolarHBondContact O-N 3.01Å
211	T	97.9	Very high	93.1	Very high	33 Å²	33	78 Å²	78	20%	0.202	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.6	-171.6	57.6	0	0	0	0	113	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.95Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 2.84Å; T211-W228 WeakPolarHBondContact CA-O 3.15Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.03Å; T211-L294 HydrophobicContact CG2-CD1 4.34Å; T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å
212	H	97.1	Very high	93.5	Very high	81 Å²	81	75.6 Å²	75.6	38%	0.375	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	159	171.8	63.7	-75.3	0	0	0	110.7	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.43Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3.43Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 3.07Å
213	V	98.1	Very high	94	Very high	22 Å²	22	70 Å²	70	13%	0.133	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.4	176.4	-178.7	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; V213-R226 WeakPolarHBondContact CA-O 3.13Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.89Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.33Å; V213-L296 HydrophobicContact CG2-CB 3.9Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.7	Very high	94.6	Very high	31 Å²	31	70.8 Å²	70.8	19%	0.19	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.4	176.4	50.6	0	0	0	0	109.9	H216 L225 R226 W228	T214-H216 VanDerWaalsContact CB-CE1 3.48Å; T214-H216 WeakPolarHBondContact CB-CE1 3.06Å; T214-H216 PolarHBondContact OG1-CE1 2.87Å; T214-H216 VanDerWaalsContact OG1-CE1 3.26Å; T214-L225 WeakPolarHBondContact O-CA 3.43Å; T214-R226 PolarHBondContact N-O 2.82Å; T214-R226 PolarHBondContact O-N 2.86Å; T214-R226 WeakPolarHBondContact OG1-CB 3.48Å; T214-R226 PolarHBondContact OG1-O 3.33Å; T214-W228 PolarHBondContact OG1-NE1 2.82Å
215	H	96.1	Very high	95.3	Very high	55 Å²	55	66.2 Å²	66.2	26%	0.255	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.8	-178.1	169.9	-91	0	0	0	109.8	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H215-T224 WeakPolarHBondContact CA-O 3.41Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.18Å; H215-W298 HydrophobicContact CB-CZ2 3.96Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact ND1-CZ2 3.95Å
216	H	94.9	Very high	95.7	Very high	78 Å²	78	61.8 Å²	61.8	36%	0.361	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	105.9	-178.4	-52.5	83.9	0	0	0	109	T214 I218 A223 T224 R226	T214-H216 VanDerWaalsContact CB-CE1 3.48Å; T214-H216 WeakPolarHBondContact CB-CE1 3.06Å; T214-H216 PolarHBondContact OG1-CE1 2.87Å; T214-H216 VanDerWaalsContact OG1-CE1 3.26Å; H216-I218 PolarHBondContact O-N 3.49Å; H216-A223 CarbonylContact O-C 3.51Å; H216-A223 WeakPolarHBondContact O-CA 3.36Å; H216-T224 PolarHBondContact N-O 3.38Å; H216-T224 PolarHBondContact O-N 2.82Å; H216-R226 PolarHBondContact CE1-NH1 3.32Å; H216-R226 VanDerWaalsContact CE1-NH1 3.26Å
217	P	94.3	Very high	95.9	Very high	99 Å²	99	60.3 Å²	60.3	64%	0.643	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	132.6	173.6	-20.4	30.8	0	0	0	110.8
218	I	92.2	Very high	96.1	Very high	98 Å²	98	61.1 Å²	61.1	50%	0.503	31%	0.313	S	S	.	.			trans	-100.6	-45.1	172.6	-60.8	162.3	0	0	0	109.4	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 3.49Å; I218-E222 PolarHBondContact N-O 3.19Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.49Å; I218-V272 HydrophobicContact CD1-CG1 4.08Å; I218-V272 HydrophobicContact CD1-CG2 4.11Å
219	S	92.8	Very high	96.2	Very high	53 Å²	53	58.1 Å²	58.1	37%	0.371	29%	0.294	S	S	.	.	S	Bend	trans	-146.7	-179.6	178.1	72.3	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.94Å; S219-E222 PolarHBondContact N-O 3.19Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 2.83Å
220	D	90.1	Very high	96.2	Very high	149 Å²	149	60.2 Å²	60.2	80%	0.797	30%	0.304	S	S	*	.	S	Bend	trans	-62.6	-19.8	173	-65.2	-21.7	0	0	0	112.5	S275	D220-S275 WeakPolarHBondContact O-CB 3.46Å; D220-S275 PolarHBondContact O-OG 3.01Å
221	H	93.1	Very high	96.1	Very high	146 Å²	146	53.9 Å²	53.9	68%	0.676	28%	0.283	S	S	*	.	S	Bend	trans	-105.5	-16	-174.4	-55.4	-50.4	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.94Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.35Å; H221-S275 PolarHBondContact O-N 3.16Å; H221-S275 PolarHBondContact O-OG 3.3Å
222	E	95.1	Very high	96.1	Very high	91 Å²	91	52.3 Å²	52.3	43%	0.425	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.4	-171.4	-66.1	-179.4	165.2	0	0	112.6	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.19Å; S219-E222 PolarHBondContact N-O 3.19Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 2.83Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.28Å; E222-S275 PolarHBondContact N-OG 3Å
223	A	96.1	Very high	96	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.6	172.5	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H216-A223 CarbonylContact O-C 3.51Å; H216-A223 WeakPolarHBondContact O-CA 3.36Å; A223-V272 WeakPolarHBondContact O-CA 3.35Å; A223-V273 HydrophobicContact CB-CG2 4.5Å; A223-V273 PolarHBondContact N-O 2.86Å; A223-V273 PolarHBondContact O-N 2.74Å
224	T	97.5	Very high	95.9	Very high	20 Å²	20	48.5 Å²	48.5	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.5	168.9	-53.2	0	0	0	0	110	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.41Å; H216-T224 PolarHBondContact N-O 3.38Å; H216-T224 PolarHBondContact O-N 2.82Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.49Å; T224-A270 HydrophobicContact CG2-CB 3.88Å; T224-V271 WeakPolarHBondContact CA-O 3.49Å
225	L	97.9	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.2	162.9	-63.3	-176	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; T214-L225 WeakPolarHBondContact O-CA 3.43Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.45Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 3.49Å; L225-V271 PolarHBondContact O-N 2.96Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	98.2	Very high	95.9	Very high	49 Å²	49	50.7 Å²	50.7	19%	0.185	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.8	176.2	-179.4	-178.5	-62	113.9	4	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.13Å; T214-R226 PolarHBondContact N-O 2.82Å; T214-R226 PolarHBondContact O-N 2.86Å; T214-R226 WeakPolarHBondContact OG1-CB 3.48Å; T214-R226 PolarHBondContact OG1-O 3.33Å; H216-R226 PolarHBondContact CE1-NH1 3.32Å; H216-R226 VanDerWaalsContact CE1-NH1 3.26Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.43Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.43Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.3	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.4	175.3	-173.9	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.52Å; C227-W268 WeakPolarHBondContact O-CA 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.4Å; C227-A269 PolarHBondContact N-O 3.44Å; C227-A269 PolarHBondContact O-N 3.2Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.22Å; C227-C283 WeakPolarHBondContact SG-CB 3.16Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.71Å
228	W	98.4	Very high	96.1	Very high	50 Å²	50	45.2 Å²	45.2	19%	0.189	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.9	179.9	-70.5	90.3	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.15Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.43Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3.43Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 3.07Å; T214-W228 PolarHBondContact OG1-NE1 2.82Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.43Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; W228-L230 HydrophobicContact CE3-CD2 3.84Å; W228-L230 HydrophobicContact CZ3-CD2 4.37Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.63Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.5	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.3	162.1	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; A229-I237 HydrophobicContact CB-CD1 3.65Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.45Å; A229-K267 PolarHBondContact N-O 3.41Å; A229-K267 PolarHBondContact O-N 3.37Å; A229-K267 VanDerWaalsContact O-O 3.11Å
230	L	98.3	Very high	96.6	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.277	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.5	-174.9	-58.3	176.9	0	0	0	110.9	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.07Å; K210-L230 PolarHBondContact O-N 3.01Å; W228-L230 HydrophobicContact CE3-CD2 3.84Å; W228-L230 HydrophobicContact CZ3-CD2 4.37Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 3.34Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.4	Very high	97	Very high	23 Å²	23	33.2 Å²	33.2	24%	0.237	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.7	28	167.3	0	0	0	0	0	114.1	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; G231-F265 PolarHBondContact N-O 2.81Å
232	F	97.4	Very high	97.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	156.4	-179.9	60	-88.2	0	0	0	112.6	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.5Å; D207-F232 WeakPolarHBondContact O-CB 3.26Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 3.34Å; F232-P234 VanDerWaalsContact CD2-O 3.28Å; F232-P234 WeakPolarHBondContact CD2-O 3.4Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.24Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.7Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.36Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.11Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 CarbonylContact O-C 3.6Å; F232-T264 WeakPolarHBondContact O-CA 3.39Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.22Å; F232-F265 WeakPolarHBondContact CE1-O 3.48Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 3.04Å; F232-F265 PolarHBondContact O-N 3.16Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.75Å; F232-H287 AromaticContact CD2-NE2 3.64Å
233	Y	95.7	Very high	97.3	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-150.9	136.8	172.3	177.7	-83	0	0	0	108.4	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.96Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.45Å; T55-Y233 PolarHBondContact OG1-OH 3.42Å; R205-Y233 WeakPolarHBondContact O-CD1 3.43Å; A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.36Å; D207-Y233 PolarHBondContact N-O 3.06Å; D207-Y233 PolarHBondContact O-N 3.12Å; Y233-R263 HydrophobicContact CD2-CG 3.89Å; Y233-R263 HydrophobicContact CE2-CG 4.09Å; Y233-R263 PolarHBondContact OH-NH2 3.25Å; Y233-F265 HydrophobicContact CD2-CE2 4.15Å; Y233-H287 PolarHBondContact O-CE1 3.2Å; Y233-H287 PolarHBondContact O-NE2 2.98Å
234	P	95.2	Very high	97.2	Very high	18 Å²	18	31.7 Å²	31.7	12%	0.117	16%	0.164	C	C	.	.	S	Bend	cis	-71.2	-177	2.6	29.7	-35.9	0	0	0	114.2	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; F232-P234 VanDerWaalsContact CD2-O 3.28Å; F232-P234 WeakPolarHBondContact CD2-O 3.4Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-H287 PolarHBondContact O-NE2 3.25Å
235	A	96.4	Very high	96.9	Very high	16 Å²	16	33.1 Å²	33.1	13%	0.132	18%	0.183	C	C	.	.	S	Bend	trans	-71.9	-25.4	-177.5	0	0	0	0	0	113.3	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.14Å; D54-A235 PolarHBondContact OD2-N 2.9Å; A235-I237 PolarHBondContact O-N 3.19Å; A235-T257 HydrophobicContact CB-CG2 4.38Å; A235-T257 WeakPolarHBondContact O-CG2 3.2Å; A235-F265 HydrophobicContact CB-CD1 3.77Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.81Å; A235-F265 HydrophobicContact CB-CZ 3.65Å
236	E	95.7	Very high	96.8	Very high	117 Å²	117	40 Å²	40	55%	0.547	22%	0.215	S	C	.	.			trans	-65.2	120.5	-179.7	-169.6	63.3	-151.2	0	0	109.8	W23 P234 H287	W23-E236 VanDerWaalsContact CH2-C 3.5Å; W23-E236 HydrophobicContact CH2-CB 3.89Å; W23-E236 HydrophobicContact CH2-CG 3.4Å; W23-E236 VanDerWaalsContact CH2-CG 3.4Å; W23-E236 WeakPolarHBondContact CH2-O 3.49Å; W23-E236 HydrophobicContact CZ2-CB 4.2Å; W23-E236 HydrophobicContact CZ2-CG 3.25Å; W23-E236 HydrophobicContact CZ3-CB 4.32Å; W23-E236 HydrophobicContact CZ3-CG 4.22Å; W23-E236 WeakPolarHBondContact CZ3-O 3.49Å; P234-E236 VanDerWaalsContact C-N 3.31Å; E236-H287 PolarHBondContact O-CD2 3.26Å; E236-H287 VanDerWaalsContact O-CD2 3.28Å
237	I	96.8	Very high	96.6	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.051	23%	0.231	C	C	.	.			trans	-155.3	141.9	-178.5	-164.5	171.1	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.65Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.24Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.7Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.36Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.11Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 3.19Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.62Å; I237-L239 HydrophobicContact CG2-CD1 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 4.02Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.33Å; I237-H287 HydrophobicContact CD1-CB 4.39Å; I237-H287 HydrophobicContact CG1-CB 4.13Å
238	T	97.3	Very high	96.4	Very high	52 Å²	52	43.6 Å²	43.6	32%	0.319	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.9	174	-61.6	0	0	0	0	110.3	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.36Å; T238-Q286 PolarHBondContact N-O 3.47Å; T238-Q286 PolarHBondContact O-N 3.46Å
239	L	97.6	Very high	95.9	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.3	172.7	-87.6	63.6	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.62Å; I237-L239 HydrophobicContact CG2-CD1 4.11Å; L239-L254 HydrophobicContact CB-CD1 4.16Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; L239-H284 WeakPolarHBondContact CA-O 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.3	Very high	95.3	Very high	39 Å²	39	55.4 Å²	55.4	24%	0.239	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.9	178.7	50.6	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.14Å; T240-H284 PolarHBondContact N-O 3Å; T240-H284 PolarHBondContact O-N 2.89Å; T240-H284 WeakPolarHBondContact OG1-CB 3.24Å
241	W	98.1	Very high	94.7	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.9	169.6	-83	104	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.89Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.33Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.89Å; W241-A269 PolarHBondContact NE1-O 3.47Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.31Å; W241-V271 HydrophobicContact CD2-CG2 3.62Å; W241-V271 HydrophobicContact CE3-CG2 4Å; W241-V271 HydrophobicContact CG-CB 4.38Å; W241-V271 HydrophobicContact CG-CG1 3.6Å; W241-V271 HydrophobicContact CG-CG2 3.84Å; W241-V271 HydrophobicContact CZ2-CG2 4.27Å; W241-V271 HydrophobicContact CZ3-CG2 4.48Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å
242	Q	97.6	Very high	94.6	Very high	42 Å²	42	58.3 Å²	58.3	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.9	171.9	-74.1	-178.1	-4.6	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 2.96Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.24Å; Q242-T282 PolarHBondContact N-O 2.88Å; Q242-T282 PolarHBondContact O-N 3.05Å; Q242-H284 VanDerWaalsContact CD-NE2 3.29Å; Q242-H284 PolarHBondContact OE1-NE2 3.42Å
243	R	97.1	Very high	94.5	Very high	64 Å²	64	63.8 Å²	63.8	24%	0.242	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.3	170.2	179.3	-172.7	174.3	147.7	6.4	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3Å; R243-E246 PolarHBondContact N-O 3.33Å; R243-E246 PolarHBondContact O-N 3.1Å; R243-Q248 HydrophobicContact CB-CG 3.92Å; R243-E277 IonicContact CZ-OE2 2.82Å; R243-E277 VanDerWaalsContact CZ-OE2 3.3Å; R243-E277 IonicContact NH1-OE2 2.65Å; R243-E277 IonicContact NH2-OE1 3.3Å; R243-E277 IonicContact NH2-OE2 3.32Å; R243-E277 PolarHBondContact NH2-OE2 2.91Å; R243-R280 WeakPolarHBondContact CA-O 3.41Å; R243-R280 VanDerWaalsContact NH2-CZ 3.35Å; R243-R280 VanDerWaalsContact NH2-NH1 3.11Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CG-CE1 4.18Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å; R243-Y281 PolarHBondContact NH1-OH 3.48Å
244	D	95.2	Very high	94.5	Very high	100 Å²	100	67.9 Å²	67.9	54%	0.535	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	26.6	-176.2	-55.1	-48.8	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.34Å; D244-R280 WeakPolarHBondContact OD1-CB 3.29Å; D244-R280 WeakPolarHBondContact OD1-CG 3.44Å; D244-R280 IonicContact OD1-NE 3.13Å; D244-R280 PolarHBondContact OD1-NE 3.42Å; D244-R280 IonicContact OD2-CZ 3.41Å; D244-R280 IonicContact OD2-NE 3.29Å; D244-R280 PolarHBondContact OD2-NE 3.18Å; D244-R280 IonicContact OD2-NH2 2.64Å; D244-R280 PolarHBondContact OD2-NH2 2.89Å
245	G	91.3	Very high	94.6	Very high	50 Å²	50	68.6 Å²	68.6	52%	0.515	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-2.3	-177.2	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3Å
246	E	95.1	Very high	94.6	Very high	146 Å²	146	76 Å²	76	68%	0.682	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	129.2	177.1	-62.6	-172.5	168.2	0	0	111.9	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; R243-E246 PolarHBondContact N-O 3.33Å; R243-E246 PolarHBondContact O-N 3.1Å; E246-Q248 PolarHBondContact O-NE2 2.9Å
247	D	94.5	Very high	94.7	Very high	97 Å²	97	72.7 Å²	72.7	52%	0.519	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	136	-178.8	-68.4	-23.8	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 2.96Å
248	Q	94	Very high	94.7	Very high	27 Å²	27	76.8 Å²	76.8	13%	0.126	40%	0.399	C	S	.	.			trans	-107.2	37	-176.7	-58.4	-61.4	-69.8	0	0	112.2	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.89Å; R243-Q248 HydrophobicContact CB-CG 3.92Å; E246-Q248 PolarHBondContact O-NE2 2.9Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.44Å; Q248-D251 PolarHBondContact O-N 2.95Å; Q248-T252 WeakPolarHBondContact O-CB 3.5Å; Q248-T252 PolarHBondContact O-N 2.88Å; Q248-T252 PolarHBondContact O-OG1 3.42Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å
249	T	87.3	Confident	94.7	Very high	107 Å²	107	78.7 Å²	78.7	66%	0.656	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.6	-169	-47.6	0	0	0	0	114
250	Q	86.5	Confident	94.6	Very high	191 Å²	191	80.8 Å²	80.8	89%	0.893	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.4	-178.6	-66.9	-174.1	1.5	0	0	113.1	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.44Å
251	D	86.1	Confident	94.4	Very high	115 Å²	115	82.7 Å²	82.7	62%	0.615	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	1.5	-178.3	-56.7	-52.1	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 2.95Å
252	T	93.7	Very high	94.1	Very high	22 Å²	22	87.8 Å²	87.8	14%	0.135	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.1	179.3	-62.5	0	0	0	0	110.8	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.5Å; Q248-T252 PolarHBondContact O-N 2.88Å; Q248-T252 PolarHBondContact O-OG1 3.42Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 3.19Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 WeakPolarHBondContact CA-O 3.27Å; T252-V271 HydrophobicContact CG2-CG1 4.37Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.19Å
253	E	96.2	Very high	93.7	Very high	115 Å²	115	88.7 Å²	88.7	54%	0.537	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	107.7	163	-173.4	-174.2	-171.7	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.49Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.22Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.9Å; E253-A270 PolarHBondContact O-N 2.87Å
254	L	96.4	Very high	93.7	Very high	89 Å²	89	86.5 Å²	86.5	47%	0.466	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.9	179	-174	68.7	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.16Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 3.19Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.4	Very high	93.8	Very high	33 Å²	33	83 Å²	83	20%	0.2	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-84.2	153.3	175.4	-65.3	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.06Å; V255-K267 WeakPolarHBondContact O-CG 3.37Å; V255-K267 PolarHBondContact O-NZ 3.11Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.34Å; V255-W268 PolarHBondContact N-O 3.27Å
256	E	96.5	Very high	94.1	Very high	172 Å²	172	82.8 Å²	82.8	80%	0.804	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-57.3	147.6	167	-68.2	-175	171.6	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.4Å
257	T	97.8	Very high	94.3	Very high	48 Å²	48	76.9 Å²	76.9	29%	0.294	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-68.2	128.9	175	-56.3	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.38Å; A235-T257 WeakPolarHBondContact O-CG2 3.2Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.3Å; T257-K267 PolarHBondContact OG1-NZ 3.12Å; T257-K267 VanDerWaalsContact OG1-NZ 3.13Å
258	R	97.2	Very high	94.5	Very high	96 Å²	96	73.4 Å²	73.4	36%	0.362	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.8	-174.6	69	-169.2	-177.6	-158.2	-0.6	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.4Å; R258-F265 WeakPolarHBondContact O-CA 3.32Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.19Å; R258-Q266 WeakPolarHBondContact O-CG 3.37Å; R258-Q266 PolarHBondContact O-N 2.88Å
259	P	96.9	Very high	94.7	Very high	92 Å²	92	72.1 Å²	72.1	60%	0.597	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	144.9	178.6	28.8	-34.7	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	95.9	Very high	95.2	Very high	50 Å²	50	67.2 Å²	67.2	41%	0.413	36%	0.361	S	S	.	.			trans	-89.1	-15.1	172.2	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.2Å; A260-T264 WeakPolarHBondContact CB-O 3.27Å; A260-T264 WeakPolarHBondContact CB-OG1 3.49Å; A260-T264 PolarHBondContact N-O 3.48Å
261	G	92.1	Very high	95.7	Very high	78 Å²	78	58.3 Å²	58.3	80%	0.804	32%	0.32	S	S	*	.	S	Bend	trans	94.5	-4.9	179.4	0	0	0	0	0	114.7
262	D	91.5	Very high	96.2	Very high	109 Å²	109	56.3 Å²	56.3	58%	0.583	31%	0.312	S	S	*	.	S	Bend	trans	-116.1	30.2	-178.9	66.1	-7.2	0	0	0	112.3	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.2Å; D262-T264 PolarHBondContact O-N 3.45Å; D262-T264 WeakPolarHBondContact OD1-CB 3.4Å; D262-T264 PolarHBondContact OD1-N 2.91Å; D262-T264 VanDerWaalsContact OD1-N 3.1Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
263	R	90.1	Very high	96.4	Very high	62 Å²	62	55.2 Å²	55.2	23%	0.234	31%	0.305	C	S	.	.	S	Bend	trans	77.3	-23.3	-168.4	-172.8	-173.6	178.8	-142.7	-3.7	115	K202 Y233 F265	K202-R263 VanDerWaalsContact O-CZ 3.23Å; K202-R263 PolarHBondContact O-NH1 2.83Å; K202-R263 PolarHBondContact O-NH2 3.42Å; Y233-R263 HydrophobicContact CD2-CG 3.89Å; Y233-R263 HydrophobicContact CE2-CG 4.09Å; Y233-R263 PolarHBondContact OH-NH2 3.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.19Å
264	T	96.1	Very high	96.4	Very high	17 Å²	17	52 Å²	52	10%	0.104	30%	0.295	C	S	.	.			trans	-85.9	168.3	-176.4	74.9	0	0	0	0	112.9	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.41Å; F232-T264 CarbonylContact O-C 3.6Å; F232-T264 WeakPolarHBondContact O-CA 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.27Å; A260-T264 WeakPolarHBondContact CB-OG1 3.49Å; A260-T264 PolarHBondContact N-O 3.48Å; D262-T264 PolarHBondContact O-N 3.45Å; D262-T264 WeakPolarHBondContact OD1-CB 3.4Å; D262-T264 PolarHBondContact OD1-N 2.91Å; D262-T264 VanDerWaalsContact OD1-N 3.1Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
265	F	98.1	Very high	96.2	Very high	26 Å²	26	50.5 Å²	50.5	11%	0.114	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	163.7	179.7	-64.6	-87.6	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.76Å; G231-F265 PolarHBondContact N-O 2.81Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.22Å; F232-F265 WeakPolarHBondContact CE1-O 3.48Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 3.04Å; F232-F265 PolarHBondContact O-N 3.16Å; Y233-F265 HydrophobicContact CD2-CE2 4.15Å; A235-F265 HydrophobicContact CB-CD1 3.77Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.81Å; A235-F265 HydrophobicContact CB-CZ 3.65Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.32Å; P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.19Å
266	Q	98.1	Very high	96	Very high	46 Å²	46	52.1 Å²	52.1	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.2	174	43.9	167.5	-20.9	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.45Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.19Å; R258-Q266 WeakPolarHBondContact O-CG 3.37Å; R258-Q266 PolarHBondContact O-N 2.88Å
267	K	98.5	Very high	95.9	Very high	22 Å²	22	46.4 Å²	46.4	10%	0.096	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154	177	-162.1	-176	-171.3	69.1	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.41Å; A229-K267 PolarHBondContact O-N 3.37Å; A229-K267 VanDerWaalsContact O-O 3.11Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.06Å; V255-K267 WeakPolarHBondContact O-CG 3.37Å; V255-K267 PolarHBondContact O-NZ 3.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.3Å; T257-K267 PolarHBondContact OG1-NZ 3.12Å; T257-K267 VanDerWaalsContact OG1-NZ 3.13Å
268	W	98.3	Very high	95.8	Very high	25 Å²	25	45.1 Å²	45.1	10%	0.095	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.5	169.4	59.2	-98.1	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.52Å; C227-W268 WeakPolarHBondContact O-CA 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.4Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.63Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.49Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.34Å; V255-W268 PolarHBondContact N-O 3.27Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
269	A	98.2	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.5	174.1	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.43Å; C227-A269 PolarHBondContact N-O 3.44Å; C227-A269 PolarHBondContact O-N 3.2Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; W241-A269 PolarHBondContact NE1-O 3.47Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.22Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	97.9	Very high	95.7	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.2	-179.5	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.88Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.45Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 WeakPolarHBondContact CA-O 3.27Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.9Å; E253-A270 PolarHBondContact O-N 2.87Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
271	V	97.8	Very high	95.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.6	174.4	-72.8	0	0	0	0	109.4	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.49Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 3.49Å; L225-V271 PolarHBondContact O-N 2.96Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.31Å; W241-V271 HydrophobicContact CD2-CG2 3.62Å; W241-V271 HydrophobicContact CE3-CG2 4Å; W241-V271 HydrophobicContact CG-CB 4.38Å; W241-V271 HydrophobicContact CG-CG1 3.6Å; W241-V271 HydrophobicContact CG-CG2 3.84Å; W241-V271 HydrophobicContact CZ2-CG2 4.27Å; W241-V271 HydrophobicContact CZ3-CG2 4.48Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; T252-V271 HydrophobicContact CG2-CG1 4.37Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.19Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4Å; V271-Y281 HydrophobicContact CG2-CE1 4.4Å
272	V	97.4	Very high	96	Very high	73 Å²	73	39.7 Å²	39.7	44%	0.442	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129	168	-179	0	0	0	0	107.9	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.08Å; I218-V272 HydrophobicContact CD1-CG2 4.11Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; A223-V272 WeakPolarHBondContact O-CA 3.35Å
273	V	96.5	Very high	96.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.4	-176.3	-52.1	0	0	0	0	110.2	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.28Å; A223-V273 HydrophobicContact CB-CG2 4.5Å; A223-V273 PolarHBondContact N-O 2.86Å; A223-V273 PolarHBondContact O-N 2.74Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.01Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.67Å
274	P	96.3	Very high	96.7	Very high	48 Å²	48	33 Å²	33	31%	0.312	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	141.2	171	-21.2	33.7	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.35Å; P274-G276 PolarHBondContact O-N 2.85Å; P274-E277 HydrophobicContact CB-CB 4.33Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact CG-OE2 3.48Å; P274-E277 PolarHBondContact O-N 3.22Å
275	S	92.9	Very high	96.8	Very high	57 Å²	57	32.2 Å²	32.2	40%	0.399	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	126.9	174.9	-63.4	0	0	0	0	110.7	D220 H221 E222 E278	D220-S275 WeakPolarHBondContact O-CB 3.46Å; D220-S275 PolarHBondContact O-OG 3.01Å; H221-S275 PolarHBondContact O-N 3.16Å; H221-S275 PolarHBondContact O-OG 3.3Å; E222-S275 PolarHBondContact N-OG 3Å; S275-E278 WeakPolarHBondContact CA-OE1 3.34Å
276	G	91.8	Very high	96.8	Very high	67 Å²	67	35.1 Å²	35.1	69%	0.691	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-7.3	-178.3	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 2.85Å; G276-E278 WeakPolarHBondContact CA-OE2 3.37Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.04Å; G276-E278 PolarHBondContact N-OE2 2.95Å
277	E	95.4	Very high	96.6	Very high	52 Å²	52	33.4 Å²	33.4	24%	0.243	19%	0.185	C	C	.	.			trans	-97.7	3.1	174.7	-63.3	-162.4	155.7	0	0	113.4	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 2.82Å; R243-E277 VanDerWaalsContact CZ-OE2 3.3Å; R243-E277 IonicContact NH1-OE2 2.65Å; R243-E277 IonicContact NH2-OE1 3.3Å; R243-E277 IonicContact NH2-OE2 3.32Å; R243-E277 PolarHBondContact NH2-OE2 2.91Å; P274-E277 HydrophobicContact CB-CB 4.33Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact CG-OE2 3.48Å; P274-E277 PolarHBondContact O-N 3.22Å; E277-Q279 PolarHBondContact O-N 3.23Å; E277-R280 VanDerWaalsContact CD-NH1 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.1Å; E277-R280 IonicContact OE1-NH1 3.6Å; E277-R280 PolarHBondContact OE1-NH1 3.49Å; E277-R280 IonicContact OE2-NH1 3.55Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.43Å
278	E	94.8	Very high	96.3	Very high	21 Å²	21	36 Å²	36	10%	0.098	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-57.4	-33.5	-170.5	-56.3	82.1	179.2	0	0	112.7	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.34Å; G276-E278 WeakPolarHBondContact CA-OE2 3.37Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.04Å; G276-E278 PolarHBondContact N-OE2 2.95Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.28Å; E278-Y281 PolarHBondContact O-N 3.36Å; E278-W298 HydrophobicContact CB-CD2 4.47Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å
279	Q	95	Very high	96.1	Very high	87 Å²	87	35.8 Å²	35.8	41%	0.407	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-72.6	-14.8	-179.5	-63.9	-56.7	-46.8	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.23Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-W298 PolarHBondContact NE2-O 3.38Å
280	R	96.5	Very high	95.9	Very high	94 Å²	94	37 Å²	37	36%	0.355	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-78.5	-16.5	173.1	-65.4	171.2	64.5	-177.8	3.4	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.41Å; R243-R280 VanDerWaalsContact NH2-CZ 3.35Å; R243-R280 VanDerWaalsContact NH2-NH1 3.11Å; D244-R280 PolarHBondContact N-O 3.34Å; D244-R280 WeakPolarHBondContact OD1-CB 3.29Å; D244-R280 WeakPolarHBondContact OD1-CG 3.44Å; D244-R280 IonicContact OD1-NE 3.13Å; D244-R280 PolarHBondContact OD1-NE 3.42Å; D244-R280 IonicContact OD2-CZ 3.41Å; D244-R280 IonicContact OD2-NE 3.29Å; D244-R280 PolarHBondContact OD2-NE 3.18Å; D244-R280 IonicContact OD2-NH2 2.64Å; D244-R280 PolarHBondContact OD2-NH2 2.89Å; E277-R280 VanDerWaalsContact CD-NH1 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.1Å; E277-R280 IonicContact OE1-NH1 3.6Å; E277-R280 PolarHBondContact OE1-NH1 3.49Å; E277-R280 IonicContact OE2-NH1 3.55Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.28Å
281	Y	97.4	Very high	95.6	Very high	8 Å²	8	43.2 Å²	43.2	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.3	-179.2	-69.9	-100.3	0	0	0	111.1	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.24Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CG-CE1 4.18Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å; R243-Y281 PolarHBondContact NH1-OH 3.48Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4Å; V271-Y281 HydrophobicContact CG2-CE1 4.4Å; V273-Y281 HydrophobicContact CB-CD2 4.01Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.67Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.43Å; E278-Y281 PolarHBondContact O-N 3.36Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å
282	T	97.9	Very high	95.4	Very high	12 Å²	12	50.7 Å²	50.7	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.8	176.6	49.2	0	0	0	0	110.3	W241 Q242 H284 T295 L296 R297	W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 2.88Å; Q242-T282 PolarHBondContact O-N 3.05Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; T282-T295 HydrophobicContact CG2-CG2 3.95Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.1Å; T282-R297 HydrophobicContact CG2-CG 3.63Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å
283	C	98.1	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.8	170	174.5	0	0	0	0	109.7	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.22Å; C227-C283 WeakPolarHBondContact SG-CB 3.16Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.71Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.14Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.29Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 2.99Å; C283-L296 PolarHBondContact O-N 2.77Å
284	H	97.8	Very high	95.3	Very high	32 Å²	32	53.9 Å²	53.9	15%	0.148	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132	174.8	-63.6	-98	0	0	0	110.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.42Å; T240-H284 PolarHBondContact N-O 3Å; T240-H284 PolarHBondContact O-N 2.89Å; T240-H284 WeakPolarHBondContact OG1-CB 3.24Å; Q242-H284 VanDerWaalsContact CD-NE2 3.29Å; Q242-H284 PolarHBondContact OE1-NE2 3.42Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 VanDerWaalsContact CA-O 3.29Å; H284-L294 WeakPolarHBondContact CA-O 3.31Å; H284-T295 PolarHBondContact CE1-OG1 2.87Å; H284-T295 PolarHBondContact ND1-OG1 3.42Å; H284-T295 VanDerWaalsContact ND1-OG1 3.08Å
285	V	98	Very high	95.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.7	-177.5	-174.4	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.92Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.03Å; I237-V285 HydrophobicContact CD1-CG1 4.02Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.36Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.24Å; V285-P293 WeakPolarHBondContact O-CA 3.46Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.27Å; V285-L294 PolarHBondContact O-N 2.93Å; V285-L296 HydrophobicContact CG2-CD1 3.84Å
286	Q	97.3	Very high	95.6	Very high	87 Å²	87	54.5 Å²	54.5	41%	0.407	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.4	174.1	-52.4	-176.6	15.5	0	0	109.6	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.33Å; T238-Q286 PolarHBondContact N-O 3.47Å; T238-Q286 PolarHBondContact O-N 3.46Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
287	H	95.8	Very high	95.8	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.046	29%	0.292	C	S	.	.			trans	-160.3	148.5	-177.8	-176.9	-94.7	0	0	0	109.6	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.02Å; P209-H287 HydrophobicContact CG-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.75Å; F232-H287 AromaticContact CD2-NE2 3.64Å; Y233-H287 PolarHBondContact O-CE1 3.2Å; Y233-H287 PolarHBondContact O-NE2 2.98Å; P234-H287 PolarHBondContact O-NE2 3.25Å; E236-H287 PolarHBondContact O-CD2 3.26Å; E236-H287 VanDerWaalsContact O-CD2 3.28Å; I237-H287 HydrophobicContact CD1-CB 4.39Å; I237-H287 HydrophobicContact CG1-CB 4.13Å; H287-G289 VanDerWaalsContact C-N 3.29Å; H287-G289 PolarHBondContact ND1-N 3.27Å; H287-G289 PolarHBondContact O-N 2.8Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.22Å; H287-L290 PolarHBondContact O-N 3.04Å
288	E	92.4	Very high	95.8	Very high	76 Å²	76	57.9 Å²	57.9	36%	0.355	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-42.3	-177.3	-156.4	-177.2	151.2	0	0	112.6	W23 A206 L290	W23-E288 HydrophobicContact CB-CG 4.34Å; W23-E288 HydrophobicContact CE3-CB 3.65Å; W23-E288 HydrophobicContact CE3-CG 4.32Å; W23-E288 VanDerWaalsContact CE3-N 3.29Å; W23-E288 HydrophobicContact CZ3-CB 4.18Å; A206-E288 HydrophobicContact CB-CB 4.34Å; E288-L290 PolarHBondContact O-N 3.26Å
289	G	92.8	Very high	95.5	Very high	20 Å²	20	64.8 Å²	64.8	21%	0.206	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.5	178.2	0	0	0	0	0	114.2	H287	H287-G289 VanDerWaalsContact C-N 3.29Å; H287-G289 PolarHBondContact ND1-N 3.27Å; H287-G289 PolarHBondContact O-N 2.8Å
290	L	94.6	Very high	94.9	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.131	33%	0.326	C	S	.	.			trans	-99.6	122.9	176.2	-64.8	171.4	0	0	0	110.2	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.83Å; P208-L290 HydrophobicContact CB-CG 4.4Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CG 4.24Å; V285-L290 HydrophobicContact CG1-CD1 4.24Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.22Å; H287-L290 PolarHBondContact O-N 3.04Å; E288-L290 PolarHBondContact O-N 3.26Å; L290-K292 WeakPolarHBondContact CB-O 3.41Å; L290-K292 PolarHBondContact O-N 3.15Å; L290-L294 HydrophobicContact CD1-CD1 3.88Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; L290-L294 HydrophobicContact CG-CD1 4.46Å
291	P	92.3	Very high	93.2	Very high	134 Å²	134	65 Å²	65	87%	0.87	35%	0.345	S	S	*	.	S	Bend	trans	-66.5	-22.3	178	27.8	-35.2	0	0	0	112.7
292	K	93.2	Very high	90.8	Very high	162 Å²	162	70 Å²	70	70%	0.704	38%	0.381	S	S	*	.	S	Bend	trans	-145.2	148.8	173.6	-65.1	-176.2	-177.9	177.9	0	109.1	L290	L290-K292 WeakPolarHBondContact CB-O 3.41Å; L290-K292 PolarHBondContact O-N 3.15Å
293	P	95.4	Very high	88.3	Confident	79 Å²	79	77.4 Å²	77.4	51%	0.513	42%	0.415	S	S	.	.			trans	-51.3	141	170.7	-28	36.4	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.46Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
294	L	96.8	Very high	85.6	Confident	60 Å²	60	81.7 Å²	81.7	31%	0.314	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.8	173.6	-64.1	177.2	0	0	0	109.8	T211 H284 V285 L290	T211-L294 HydrophobicContact CG2-CD1 4.34Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 VanDerWaalsContact CA-O 3.29Å; H284-L294 WeakPolarHBondContact CA-O 3.31Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.27Å; V285-L294 PolarHBondContact O-N 2.93Å; L290-L294 HydrophobicContact CD1-CD1 3.88Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; L290-L294 HydrophobicContact CG-CD1 4.46Å
295	T	97.6	Very high	83.2	Confident	84 Å²	84	86 Å²	86	52%	0.515	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.4	170.3	-54.3	0	0	0	0	108.4	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.95Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.29Å; H284-T295 PolarHBondContact CE1-OG1 2.87Å; H284-T295 PolarHBondContact ND1-OG1 3.42Å; H284-T295 VanDerWaalsContact ND1-OG1 3.08Å
296	L	96.8	Very high	81	Confident	34 Å²	34	89.6 Å²	89.6	18%	0.178	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.8	-175.2	-61.8	143.8	0	0	0	109.6	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å; V213-L296 HydrophobicContact CG2-CB 3.9Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.1Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 2.99Å; C283-L296 PolarHBondContact O-N 2.77Å; V285-L296 HydrophobicContact CG2-CD1 3.84Å
297	R	95.9	Very high	78.9	Confident	144 Å²	144	89.3 Å²	89.3	54%	0.543	50%	0.501	S	S	.	.			trans	-115.6	161.6	166	-71.2	-174.9	175.9	168.7	-1.9	109.1	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.63Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å; R297-E299 PolarHBondContact O-N 2.78Å
298	W	95.5	Very high	77.2	Confident	46 Å²	46	94.7 Å²	94.7	17%	0.174	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-68.8	119.6	166.7	171.9	55.9	0	0	0	109.5	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.18Å; H215-W298 HydrophobicContact CB-CZ2 3.96Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact ND1-CZ2 3.95Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CD2 4.47Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å; Q279-W298 PolarHBondContact NE2-O 3.38Å; W298-P300 HydrophobicContact CE3-CG 4.41Å; W298-P300 HydrophobicContact CH2-CB 4.28Å; W298-P300 HydrophobicContact CH2-CG 3.96Å; W298-P300 HydrophobicContact CZ2-CB 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.12Å
299	E	89.3	Confident	75.6	Confident	166 Å²	166	96.7 Å²	96.7	78%	0.776	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-97.4	118.9	167.5	-71.6	-179.2	174.8	0	0	107.9	R297 S301	R297-E299 PolarHBondContact O-N 2.78Å; E299-S301 PolarHBondContact O-N 2.88Å; E299-S301 VanDerWaalsContact O-N 3.12Å
300	P	81.1	Confident	74.3	Confident	79 Å²	79	97.7 Å²	97.7	51%	0.513	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-55.2	122.9	169.2	-19.8	30.5	0	0	0	107.1	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.41Å; W298-P300 HydrophobicContact CH2-CB 4.28Å; W298-P300 HydrophobicContact CH2-CG 3.96Å; W298-P300 HydrophobicContact CZ2-CB 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.12Å; P300-S302 PolarHBondContact O-N 3.43Å
301	S	61.4	Low	73.3	Confident	108 Å²	108	101.1 Å²	101.1	76%	0.755	57%	0.574	S	S	*	*			trans	-52.4	113.2	179.8	35.2	0	0	0	0	108.2	E299 Q303	E299-S301 PolarHBondContact O-N 2.88Å; E299-S301 VanDerWaalsContact O-N 3.12Å; S301-Q303 PolarHBondContact O-N 3.15Å
302	S	47.8	Very low	72.5	Confident	111 Å²	111	99 Å²	99	78%	0.776	56%	0.558	S	S	*	*			trans	-66.5	82.2	160.7	58.7	0	0	0	0	105.2	P300 S304	P300-S302 PolarHBondContact O-N 3.43Å; S302-S304 PolarHBondContact O-N 2.99Å
303	Q	44.5	Very low	71.6	Confident	168 Å²	168	93.8 Å²	93.8	79%	0.785	55%	0.545	S	S	*	.			trans	-55.7	91.6	145.4	-83.8	-173	-9.5	0	0	103.6	S301 T305	S301-Q303 PolarHBondContact O-N 3.15Å; Q303-T305 PolarHBondContact O-N 3.24Å; Q303-T305 PolarHBondContact O-OG1 3.34Å
304	S	41.9	Very low	70.9	Confident	90 Å²	90	91.8 Å²	91.8	63%	0.629	54%	0.539	S	S	*	.			trans	-50.6	98.9	165.9	171.8	0	0	0	0	103.6	S302 V306	S302-S304 PolarHBondContact O-N 2.99Å; S304-V306 PolarHBondContact O-N 2.86Å; S304-V306 WeakPolarHBondContact OG-CG2 3.38Å
305	T	46.5	Very low	70.3	Confident	124 Å²	124	94.2 Å²	94.2	76%	0.761	55%	0.552	S	S	*	*			trans	-70.7	73.2	164.5	-49.1	0	0	0	0	102.5	Q303 P307	Q303-T305 PolarHBondContact O-N 3.24Å; Q303-T305 PolarHBondContact O-OG1 3.34Å; T305-P307 WeakPolarHBondContact O-CD 3.5Å
306	V	51.8	Low	69.6	Low	75 Å²	75	92.8 Å²	92.8	46%	0.455	55%	0.549	S	S	.	.			trans	-46.9	120.8	156.7	179.3	0	0	0	0	102.2	S304 I308 I311	S304-V306 PolarHBondContact O-N 2.86Å; S304-V306 WeakPolarHBondContact OG-CG2 3.38Å; V306-I308 PolarHBondContact O-N 3.24Å; V306-I311 HydrophobicContact CG1-CD1 4.07Å
307	P	54.4	Low	69.1	Low	81 Å²	81	95.7 Å²	95.7	53%	0.526	57%	0.567	S	S	.	*			trans	-71.2	83.9	-172.1	28.5	-32.5	0	0	0	106.3	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.5Å; P307-V309 PolarHBondContact O-N 3.28Å; P307-G310 WeakPolarHBondContact O-CA 3.36Å; P307-G310 PolarHBondContact O-N 3.4Å; P307-I311 PolarHBondContact O-N 2.86Å; P307-I311 VanDerWaalsContact O-N 3.11Å
308	I	59.8	Low	68.6	Low	123 Å²	123	94 Å²	94	63%	0.631	57%	0.568	S	S	*	*	H	α-helix	trans	-55	-34.6	174.6	-67.6	168.1	0	0	0	107.4	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 3.24Å; I308-G310 PolarHBondContact O-N 3.26Å; I308-I311 PolarHBondContact O-N 2.98Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.39Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3Å
309	V	59.3	Low	68	Low	118 Å²	118	94 Å²	94	72%	0.715	58%	0.579	S	S	*	*	H	α-helix	trans	-59.1	-41.2	171.2	-175.9	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.24Å; V309-A313 PolarHBondContact O-N 2.97Å
310	G	65.4	Low	67.8	Low	41 Å²	41	91 Å²	91	42%	0.423	57%	0.572	S	S	.	*	H	α-helix	trans	-69	-38.8	178.6	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.36Å; P307-G310 PolarHBondContact O-N 3.4Å; I308-G310 PolarHBondContact O-N 3.26Å; G310-G314 PolarHBondContact O-N 2.88Å
311	I	72.6	Confident	68.1	Low	96 Å²	96	91.8 Å²	91.8	49%	0.492	58%	0.575	S	S	.	*	H	α-helix	trans	-69.4	-43.7	175.9	-61.6	174.2	0	0	0	110.4	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 4.07Å; P307-I311 PolarHBondContact O-N 2.86Å; P307-I311 VanDerWaalsContact O-N 3.11Å; I308-I311 PolarHBondContact O-N 2.98Å; I311-G314 PolarHBondContact O-N 3.42Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.3Å; I311-L315 PolarHBondContact O-N 2.88Å
312	V	75.1	Confident	69.2	Low	90 Å²	90	90.4 Å²	90.4	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-65.7	-43.7	178.1	172.4	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.39Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3Å; V312-L315 PolarHBondContact O-N 3.23Å; V312-A316 WeakPolarHBondContact O-CB 3.09Å; V312-A316 PolarHBondContact O-N 3.3Å
313	A	75	Confident	70.9	Confident	52 Å²	52	90.4 Å²	90.4	43%	0.43	55%	0.552	S	S	.	*	H	α-helix	trans	-63.1	-43.1	175.2	0	0	0	0	0	111.6	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.24Å; V309-A313 PolarHBondContact O-N 2.97Å; A313-A316 PolarHBondContact O-N 2.8Å; A313-V317 WeakPolarHBondContact O-CG2 3.35Å; A313-V317 PolarHBondContact O-N 3.26Å
314	G	80.9	Confident	72.7	Confident	37 Å²	37	84.4 Å²	84.4	38%	0.381	54%	0.535	S	S	.	.	H	α-helix	trans	-60.3	-45.2	176.2	0	0	0	0	0	112.8	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.88Å; I311-G314 PolarHBondContact O-N 3.42Å; G314-V317 PolarHBondContact O-N 2.7Å; G314-L318 WeakPolarHBondContact O-CB 3.32Å; G314-L318 PolarHBondContact O-N 2.99Å
315	L	84.9	Confident	74.6	Confident	111 Å²	111	83 Å²	83	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-66.3	-38.6	177.1	-73.3	171.3	0	0	0	112.6	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.3Å; I311-L315 PolarHBondContact O-N 2.88Å; V312-L315 PolarHBondContact O-N 3.23Å; L315-L318 PolarHBondContact O-N 2.75Å; L315-A319 WeakPolarHBondContact O-CB 3.27Å; L315-A319 PolarHBondContact O-N 2.96Å
316	A	82.6	Confident	76.3	Confident	55 Å²	55	81.1 Å²	81.1	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-43.6	176.6	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.09Å; V312-A316 PolarHBondContact O-N 3.3Å; A313-A316 PolarHBondContact O-N 2.8Å; A316-A319 PolarHBondContact O-N 3.37Å; A316-V320 WeakPolarHBondContact O-CG2 3.38Å; A316-V320 PolarHBondContact O-N 2.99Å; A316-V320 VanDerWaalsContact O-N 3.08Å
317	V	84.6	Confident	77.7	Confident	94 Å²	94	81.2 Å²	81.2	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-63.2	-44.6	176	173.6	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.35Å; A313-V317 PolarHBondContact O-N 3.26Å; G314-V317 PolarHBondContact O-N 2.7Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.74Å; V317-V320 PolarHBondContact O-N 3.41Å; V317-V321 HydrophobicContact CG1-CG2 4.45Å; V317-V321 WeakPolarHBondContact O-CG2 3.38Å; V317-V321 PolarHBondContact O-N 3.28Å
318	L	85.3	Confident	78.7	Confident	108 Å²	108	80 Å²	80	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-59.1	-43.6	176.4	-110.2	156.3	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.32Å; G314-L318 PolarHBondContact O-N 2.99Å; L315-L318 PolarHBondContact O-N 2.75Å; L318-V320 PolarHBondContact O-N 2.76Å; L318-V321 PolarHBondContact O-N 3.29Å; L318-V322 VanDerWaalsContact O-CG2 3.28Å; L318-V322 WeakPolarHBondContact O-CG2 3.22Å; L318-V322 PolarHBondContact O-N 2.7Å
319	A	84	Confident	79.5	Confident	48 Å²	48	76.7 Å²	76.7	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-61.7	-43.3	177	0	0	0	0	0	112.1	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.27Å; L315-A319 PolarHBondContact O-N 2.96Å; A316-A319 PolarHBondContact O-N 3.37Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.74Å; A319-V322 PolarHBondContact O-N 2.87Å; A319-I323 WeakPolarHBondContact O-CD1 3.41Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.47Å; A319-I323 PolarHBondContact O-N 3.38Å
320	V	85.4	Confident	80.2	Confident	103 Å²	103	75 Å²	75	62%	0.624	50%	0.495	S	S	*	.	H	α-helix	trans	-63.5	-42.5	177.1	173.4	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.38Å; A316-V320 PolarHBondContact O-N 2.99Å; A316-V320 VanDerWaalsContact O-N 3.08Å; V317-V320 PolarHBondContact O-N 3.41Å; L318-V320 PolarHBondContact O-N 2.76Å; V320-I323 PolarHBondContact O-N 3.41Å; V320-G324 PolarHBondContact O-N 2.91Å
321	V	86.7	Confident	80.6	Confident	94 Å²	94	79.2 Å²	79.2	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-63.4	-44	177.7	172.5	0	0	0	0	111.2	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.45Å; V317-V321 WeakPolarHBondContact O-CG2 3.38Å; V317-V321 PolarHBondContact O-N 3.28Å; L318-V321 PolarHBondContact O-N 3.29Å; V321-G324 PolarHBondContact O-N 3.17Å; V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 3.38Å
322	V	84.4	Confident	80.3	Confident	80 Å²	80	78.9 Å²	78.9	49%	0.485	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-45.2	178.2	172.2	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.28Å; L318-V322 WeakPolarHBondContact O-CG2 3.22Å; L318-V322 PolarHBondContact O-N 2.7Å; A319-V322 PolarHBondContact O-N 2.87Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.24Å; V322-A325 PolarHBondContact O-N 3.04Å; V322-V326 HydrophobicContact CG1-CG2 4.43Å; V322-V326 VanDerWaalsContact O-CG2 3.28Å; V322-V326 WeakPolarHBondContact O-CG2 3.14Å; V322-V326 PolarHBondContact O-N 3.43Å
323	I	83.5	Confident	79.7	Confident	111 Å²	111	84.2 Å²	84.2	57%	0.569	52%	0.521	S	S	*	.	H	α-helix	trans	-61.1	-45.1	176.4	-67.1	165.1	0	0	0	110.4	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CD1 3.41Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.47Å; A319-I323 PolarHBondContact O-N 3.38Å; V320-I323 PolarHBondContact O-N 3.41Å; I323-A325 PolarHBondContact O-N 3.15Å; I323-V326 PolarHBondContact O-N 3.27Å; I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 VanDerWaalsContact O-CG2 3.29Å; I323-V327 WeakPolarHBondContact O-CG2 3.33Å; I323-V327 PolarHBondContact O-N 3.22Å
324	G	83.2	Confident	78.9	Confident	41 Å²	41	91.8 Å²	91.8	42%	0.423	54%	0.538	S	S	.	.	H	α-helix	trans	-59.1	-44.6	176.4	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.91Å; V321-G324 PolarHBondContact O-N 3.17Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.24Å; G324-V327 PolarHBondContact O-N 3.43Å; G324-A328 WeakPolarHBondContact O-CB 3.4Å; G324-A328 PolarHBondContact O-N 2.99Å
325	A	81.6	Confident	77.5	Confident	60 Å²	60	99 Å²	99	50%	0.496	56%	0.559	S	S	.	*	H	α-helix	trans	-65	-41.1	177.6	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 3.38Å; V322-A325 PolarHBondContact O-N 3.04Å; I323-A325 PolarHBondContact O-N 3.15Å; A325-A328 PolarHBondContact O-N 3.09Å; A325-A329 WeakPolarHBondContact O-CB 3.25Å; A325-A329 PolarHBondContact O-N 2.94Å
326	V	82.5	Confident	76	Confident	85 Å²	85	98.2 Å²	98.2	52%	0.515	56%	0.563	S	S	.	*	H	α-helix	trans	-64.7	-45.2	176.5	171.8	0	0	0	0	110.7	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.43Å; V322-V326 VanDerWaalsContact O-CG2 3.28Å; V322-V326 WeakPolarHBondContact O-CG2 3.14Å; V322-V326 PolarHBondContact O-N 3.43Å; I323-V326 PolarHBondContact O-N 3.27Å; V326-A328 PolarHBondContact O-N 3.25Å; V326-A329 PolarHBondContact O-N 2.73Å; V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.36Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.4Å; V326-V330 PolarHBondContact O-N 3Å
327	V	80.9	Confident	74.4	Confident	78 Å²	78	100.2 Å²	100.2	47%	0.473	57%	0.573	S	S	.	*	H	α-helix	trans	-61.8	-44.9	177.2	172.5	0	0	0	0	110.8	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 VanDerWaalsContact O-CG2 3.29Å; I323-V327 WeakPolarHBondContact O-CG2 3.33Å; I323-V327 PolarHBondContact O-N 3.22Å; G324-V327 PolarHBondContact O-N 3.43Å; V327-A329 PolarHBondContact O-N 2.95Å; V327-V330 PolarHBondContact O-N 2.89Å; V327-M331 HydrophobicContact CG1-SD 4.22Å; V327-M331 WeakPolarHBondContact O-CB 3.39Å; V327-M331 WeakPolarHBondContact O-CG 3.33Å; V327-M331 PolarHBondContact O-N 2.9Å
328	A	76	Confident	72.6	Confident	54 Å²	54	99.2 Å²	99.2	45%	0.446	58%	0.583	S	S	.	*	H	α-helix	trans	-60.8	-44.6	176.2	0	0	0	0	0	112	G324 A325 V326 V330 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.4Å; G324-A328 PolarHBondContact O-N 2.99Å; A325-A328 PolarHBondContact O-N 3.09Å; V326-A328 PolarHBondContact O-N 3.25Å; A328-V330 PolarHBondContact O-N 2.92Å; A328-M331 PolarHBondContact O-N 3.12Å; A328-C332 WeakPolarHBondContact O-CB 3.46Å; A328-C332 PolarHBondContact O-N 3.46Å; A328-C332 PolarHBondContact O-SG 2.9Å
329	A	75.2	Confident	70.4	Confident	55 Å²	55	97.4 Å²	97.4	46%	0.455	59%	0.59	S	S	.	*	H	α-helix	trans	-63.7	-40.8	177.4	0	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.25Å; A325-A329 PolarHBondContact O-N 2.94Å; V326-A329 PolarHBondContact O-N 2.73Å; V327-A329 PolarHBondContact O-N 2.95Å; A329-C332 PolarHBondContact O-N 3.07Å; A329-R333 WeakPolarHBondContact O-CB 3.19Å; A329-R333 PolarHBondContact O-N 3.16Å
330	V	74.8	Confident	68.1	Low	82 Å²	82	105.8 Å²	105.8	50%	0.497	62%	0.617	S	S	.	*	H	α-helix	trans	-66	-41.3	176	170.7	0	0	0	0	111	V326 V327 A328 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.36Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.4Å; V326-V330 PolarHBondContact O-N 3Å; V327-V330 PolarHBondContact O-N 2.89Å; A328-V330 PolarHBondContact O-N 2.92Å; V330-R333 PolarHBondContact O-N 3.19Å; V330-R334 PolarHBondContact O-N 3.38Å
331	M	73.1	Confident	65.8	Low	130 Å²	130	104.3 Å²	104.3	64%	0.64	62%	0.623	S	S	*	*	H	α-helix	trans	-65.3	-41.1	175.4	-73.3	-174.9	68.7	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-SD 4.22Å; V327-M331 WeakPolarHBondContact O-CB 3.39Å; V327-M331 WeakPolarHBondContact O-CG 3.33Å; V327-M331 PolarHBondContact O-N 2.9Å; A328-M331 PolarHBondContact O-N 3.12Å; M331-R334 PolarHBondContact O-N 2.95Å; M331-K335 PolarHBondContact O-N 3.04Å
332	C	65.9	Low	63.2	Low	89 Å²	89	103.8 Å²	103.8	60%	0.601	64%	0.637	S	S	*	*	H	α-helix	trans	-61.6	-43.1	173.3	-78.9	0	0	0	0	111.8	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.46Å; A328-C332 PolarHBondContact O-N 3.46Å; A328-C332 PolarHBondContact O-SG 2.9Å; A329-C332 PolarHBondContact O-N 3.07Å; C332-K335 PolarHBondContact O-N 3.48Å; C332-S336 PolarHBondContact O-N 3.11Å; C332-S336 PolarHBondContact O-OG 2.65Å
333	R	63.7	Low	60.7	Low	201 Å²	201	105.8 Å²	105.8	76%	0.758	65%	0.654	S	S	*	*	H	α-helix	trans	-65.8	-36.7	176.1	-82.3	-171.8	166.1	-177.4	-2.4	113.3	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.19Å; A329-R333 PolarHBondContact O-N 3.16Å; V330-R333 PolarHBondContact O-N 3.19Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.34Å; R333-S336 WeakPolarHBondContact CA-OG 3.41Å; R333-S336 PolarHBondContact O-N 3.23Å; R333-S336 PolarHBondContact O-OG 2.92Å; R333-S337 PolarHBondContact O-N 3.24Å
334	R	57	Low	58.4	Low	211 Å²	211	110.3 Å²	110.3	80%	0.796	67%	0.666	S	S	*	*	H	α-helix	trans	-67.9	-28.7	173.9	-109	-177.5	169.3	179.1	-2	112.8	V330 M331	V330-R334 PolarHBondContact O-N 3.38Å; M331-R334 PolarHBondContact O-N 2.95Å
335	K	51.8	Low	56.1	Low	188 Å²	188	114.4 Å²	114.4	82%	0.817	69%	0.688	S	S	*	*	H	α-helix	trans	-79.2	-23.9	177.4	-161.2	170.6	-178.6	178.9	0	113	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.04Å; C332-K335 PolarHBondContact O-N 3.48Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.34Å
336	S	52.9	Low	53.9	Low	95 Å²	95	120 Å²	120	66%	0.664	70%	0.704	S	S	*	*	H	α-helix	trans	-89.2	-9	177.5	53.8	0	0	0	0	115.2	C332 R333	C332-S336 PolarHBondContact O-N 3.11Å; C332-S336 PolarHBondContact O-OG 2.65Å; R333-S336 WeakPolarHBondContact CA-OG 3.41Å; R333-S336 PolarHBondContact O-N 3.23Å; R333-S336 PolarHBondContact O-OG 2.92Å
337	S	50.6	Low	51.8	Low	97 Å²	97	119.7 Å²	119.7	68%	0.678	71%	0.71	S	S	*	*	S	Bend	trans	-99.6	24.4	-176.6	70.7	0	0	0	0	114.4	R333	R333-S337 PolarHBondContact O-N 3.24Å
338	G	46.8	Very low	49.8	Very low	74 Å²	74	120.7 Å²	120.7	76%	0.763	73%	0.726	S	S	*	*	S	Bend	trans	-129	78.1	179.1	0	0	0	0	0	112.8
339	G	37.9	Very low	47.8	Very low	70 Å²	70	123.4 Å²	123.4	72%	0.722	74%	0.741	S	S	*	*			trans	148.4	110	155.4	0	0	0	0	0	118.2
340	K	37	Very low	46	Very low	223 Å²	223	126 Å²	126	97%	0.97	76%	0.756	S	S	*	*			trans	61.9	144.7	150	-76.1	168.1	173.3	172.1	0	117.7
341	G	35.9	Very low	44.3	Very low	73 Å²	73	129.6 Å²	129.6	75%	0.753	77%	0.772	S	S	*	*			cis	150.1	137.9	20.4	0	0	0	0	0	106.1
342	G	33.4	Very low	42.8	Very low	83 Å²	83	129.6 Å²	129.6	86%	0.856	79%	0.785	S	S	*	*			trans	-74.3	174.9	-159.5	0	0	0	0	0	118.3
343	S	32	Very low	41.5	Very low	121 Å²	121	129.8 Å²	129.8	85%	0.846	79%	0.793	S	S	*	*				177.5	152.5	127.5	-169	0	0	0	0	111.9
344	Y	34.7	Very low	40.5	Very low	207 Å²	207	129.9 Å²	129.9	81%	0.812	80%	0.802	S	S	*	*			trans	-60.9	154.5	-178.5	-92	-108.8	0	0	0	116.1
345	S	35.3	Very low	39.4	Very low	127 Å²	127	123 Å²	123	89%	0.888	80%	0.796	S	S	*	*			trans	-165.8	120.9	133.9	-68.8	0	0	0	0	111.8
346	Q	35.5	Very low	38.9	Very low	177 Å²	177	120 Å²	120	83%	0.827	80%	0.799	S	S	*	*			trans	-82.2	163.6	163	-129	174.6	-36.2	0	0	108.3
347	A	37.3	Very low	38.3	Very low	79 Å²	79	122.7 Å²	122.7	65%	0.653	81%	0.806	S	S	*	*			cis	-169.8	162.9	11.2	0	0	0	0	0	111.8
348	A	38.3	Very low	37.9	Very low	98 Å²	98	124.7 Å²	124.7	81%	0.81	81%	0.814	S	S	*	*			trans	71.6	149.1	138.8	0	0	0	0	0	119.9
349	C	35.3	Very low	37.7	Very low	112 Å²	112	125.7 Å²	125.7	76%	0.757	81%	0.809	S	S	*	*			cis	-163.7	148.7	4.8	-142.9	0	0	0	0	106.6
350	S	36.3	Very low	37.9	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	81%	0.814	S	S	*	*				167.2	124.9	85.4	35	0	0	0	0	107.1
351	D	39	Very low	38	Very low	158 Å²	158	126 Å²	126	85%	0.845	81%	0.809	S	S	*	*				84.1	109.2	80.2	-117.8	7.6	0	0	0	115.5
352	S	42	Very low	38.4	Very low	130 Å²	130	130.6 Å²	130.6	91%	0.909	84%	0.84	S	S	*	*			trans	-175.6	151.4	135.9	14.8	0	0	0	0	111.6
353	A	39.1	Very low	38.7	Very low	93 Å²	93	133 Å²	133	77%	0.769	84%	0.84	S	S	*	*			trans	-109.3	-173.9	-147.5	0	0	0	0	0	115.8
354	Q	41.8	Very low	39	Very low	202 Å²	202	133.6 Å²	133.6	94%	0.944	84%	0.839	S	S	*	*			trans	86.7	129.7	170.8	-65.1	177.2	-22.5	0	0	115.5
355	G	33.9	Very low	39.2	Very low	66 Å²	66	129.5 Å²	129.5	68%	0.68	84%	0.841	S	S	*	*			cis	163.2	151.1	2.9	0	0	0	0	0	109.4
356	S	42.3	Very low	39.5	Very low	125 Å²	125	129.6 Å²	129.6	87%	0.874	84%	0.838	S	S	*	*			trans	88.3	118.5	153.2	-43.2	0	0	0	0	120.2
357	D	40.9	Very low	39.7	Very low	153 Å²	153	126.7 Å²	126.7	82%	0.818	84%	0.839	S	S	*	*			trans	-40	156.2	163.7	-61.7	-60.7	0	0	0	117.2
358	V	41.1	Very low	39.9	Very low	139 Å²	139	129.9 Å²	129.9	84%	0.842	85%	0.851	S	S	*	*				176.1	137	99.7	158.2	0	0	0	0	110.8
359	S	42.5	Very low	40	Very low	94 Å²	94	132.1 Å²	132.1	66%	0.657	85%	0.854	S	S	*	*			trans	-82.9	152.7	176.9	-38.8	0	0	0	0	113.5
360	L	41.8	Very low	40.4	Very low	159 Å²	159	133.7 Å²	133.7	83%	0.832	86%	0.861	S	S	*	*			trans	58.8	125.9	136.5	-78.6	156.7	0	0	0	121
361	T	39.5	Very low	40.7	Very low	140 Å²	140	135.8 Å²	135.8	86%	0.859	87%	0.87	S	S	*	*				-163.9	116.4	128.9	10.5	0	0	0	0	106.6
362	A	44.7	Very low	40.9	Very low	170 Å²	170	133.7 Å²	133.7	100%	1.405	87%	0.872	S	S	*	*				87.3	0	94.7	0	0	0	0	0	112.2

Retrieved 362 of 362 residues in 1795.5 ms (Link to these results)

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