A0A090KM51_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KM51, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	45.5	Very low	235 Å²	235	132.2 Å²	132.2	100%	1.158	70%	0.701	S	S	*	*				0	106.6	0	-69.8	174.6	-153.3	0	0	107	V3	M1-V3 PolarHBondContact O-N 3.16Å
2	L	37.4	Very low	45.5	Very low	175 Å²	175	131.6 Å²	131.6	92%	0.916	70%	0.697	S	S	*	*			trans	-77.6	110.5	172.1	-90.6	151.4	0	0	0	106.8	M4	L2-M4 PolarHBondContact O-N 3.18Å
3	V	41.4	Very low	45.3	Very low	137 Å²	137	129.1 Å²	129.1	83%	0.83	68%	0.683	S	S	*	*			trans	-70.1	101.5	173.3	179.2	0	0	0	0	106.6	M1 A5	M1-V3 PolarHBondContact O-N 3.16Å; V3-A5 PolarHBondContact O-N 2.61Å
4	M	42.7	Very low	45.1	Very low	167 Å²	167	124.1 Å²	124.1	82%	0.823	66%	0.664	S	S	*	*			trans	-68.7	111.3	169.9	-78.1	175.5	55.3	0	0	108	L2	L2-M4 PolarHBondContact O-N 3.18Å
5	A	44.2	Very low	45	Very low	59 Å²	59	119.1 Å²	119.1	49%	0.488	65%	0.647	S	S	.	*			trans	-58.8	141.9	170.7	0	0	0	0	0	109.9	V3 R7	V3-A5 PolarHBondContact O-N 2.61Å; A5-R7 PolarHBondContact O-N 2.78Å
6	P	53.3	Low	45	Very low	77 Å²	77	114.9 Å²	114.9	50%	0.5	63%	0.634	S	S	.	*			trans	-61.9	132.3	-179.2	-15.1	27.9	0	0	0	109.9	T8 V9 L10	P6-T8 PolarHBondContact O-N 2.66Å; P6-V9 HydrophobicContact CB-CG2 4.21Å; P6-V9 HydrophobicContact CG-CG2 4.09Å; P6-V9 PolarHBondContact O-N 3.06Å; P6-L10 PolarHBondContact O-N 3.23Å
7	R	50.2	Low	44.6	Very low	212 Å²	212	114.5 Å²	114.5	80%	0.8	63%	0.629	S	S	*	*	H	α-helix	trans	-51.9	-28.4	-179.8	-85	178.7	160.8	139	-5.3	113.7	A5 L10 L11	A5-R7 PolarHBondContact O-N 2.78Å; R7-L10 PolarHBondContact O-N 2.7Å; R7-L11 VanDerWaalsContact O-CG 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.11Å; R7-L11 PolarHBondContact O-N 3.49Å; R7-L11 VanDerWaalsContact O-N 3.07Å
8	T	51	Low	44.2	Very low	94 Å²	94	110.9 Å²	110.9	58%	0.577	62%	0.618	S	S	*	*	H	α-helix	trans	-68.5	-39.3	175.4	39.3	0	0	0	0	113.3	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 2.66Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L11 PolarHBondContact O-N 2.88Å; T8-L12 WeakPolarHBondContact O-CG 3.47Å; T8-L12 PolarHBondContact O-N 3.35Å
9	V	50.2	Low	44	Very low	69 Å²	69	109.7 Å²	109.7	42%	0.418	61%	0.609	S	S	.	*	H	α-helix	trans	-68.1	-37.7	175.4	178.3	0	0	0	0	110.4	P6 L13	P6-V9 HydrophobicContact CB-CG2 4.21Å; P6-V9 HydrophobicContact CG-CG2 4.09Å; P6-V9 PolarHBondContact O-N 3.06Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 WeakPolarHBondContact O-CB 3.35Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 2.92Å
10	L	45.6	Very low	43.8	Very low	112 Å²	112	108.5 Å²	108.5	59%	0.586	61%	0.605	S	S	*	*	H	α-helix	trans	-65.6	-37.7	176.2	-142.5	88.2	0	0	0	112.2	P6 R7 T8 S14	P6-L10 PolarHBondContact O-N 3.23Å; R7-L10 PolarHBondContact O-N 2.7Å; T8-L10 VanDerWaalsContact C-N 3.33Å; L10-S14 WeakPolarHBondContact O-CB 3.47Å; L10-S14 PolarHBondContact O-N 3.24Å; L10-S14 PolarHBondContact O-OG 3.08Å
11	L	51.1	Low	43.5	Very low	117 Å²	117	111.2 Å²	111.2	61%	0.613	61%	0.613	S	S	*	*	H	α-helix	trans	-71.7	-39.9	177.3	-74.5	167.1	0	0	0	112.6	R7 T8 S14 A15	R7-L11 VanDerWaalsContact O-CG 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.11Å; R7-L11 PolarHBondContact O-N 3.49Å; R7-L11 VanDerWaalsContact O-N 3.07Å; T8-L11 PolarHBondContact O-N 2.88Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.11Å; L11-S14 PolarHBondContact O-N 3.01Å; L11-S14 PolarHBondContact O-OG 2.92Å; L11-A15 WeakPolarHBondContact O-CB 3.39Å; L11-A15 PolarHBondContact O-N 3.41Å
12	L	45.6	Very low	44	Very low	125 Å²	125	104.4 Å²	104.4	65%	0.654	59%	0.585	S	S	*	*	H	α-helix	trans	-68	-39.7	175.3	-72.7	167.4	0	0	0	112	T8 S14 A15 A16	T8-L12 WeakPolarHBondContact O-CG 3.47Å; T8-L12 PolarHBondContact O-N 3.35Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-A15 PolarHBondContact O-N 3.01Å; L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 2.88Å
13	L	42.5	Very low	44.5	Very low	99 Å²	99	98.4 Å²	98.4	52%	0.518	55%	0.55	S	S	.	*	H	α-helix	trans	-65.5	-37	173.6	-79.1	162.9	0	0	0	112.1	V9 L17	V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 WeakPolarHBondContact O-CB 3.35Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 2.92Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 2.94Å
14	S	42.1	Very low	45.1	Very low	59 Å²	59	95.1 Å²	95.1	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-74.4	-31.5	176.5	35.9	0	0	0	0	112.9	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.47Å; L10-S14 PolarHBondContact O-N 3.24Å; L10-S14 PolarHBondContact O-OG 3.08Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.11Å; L11-S14 PolarHBondContact O-N 3.01Å; L11-S14 PolarHBondContact O-OG 2.92Å; L12-S14 VanDerWaalsContact C-N 3.35Å; S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 2.96Å
15	A	44.3	Very low	46.8	Very low	50 Å²	50	88.2 Å²	88.2	41%	0.413	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-43.6	169.4	0	0	0	0	0	111.9	L11 L12 A18 L19	L11-A15 WeakPolarHBondContact O-CB 3.39Å; L11-A15 PolarHBondContact O-N 3.41Å; L12-A15 PolarHBondContact O-N 3.01Å; A15-A18 PolarHBondContact O-N 3.34Å; A15-L19 WeakPolarHBondContact O-CD1 3.17Å; A15-L19 PolarHBondContact O-N 3.03Å
16	A	44.2	Very low	49.1	Very low	52 Å²	52	88.3 Å²	88.3	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-39.5	175.5	0	0	0	0	0	112.3	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 2.88Å; A16-L19 PolarHBondContact O-N 2.94Å; A16-T20 WeakPolarHBondContact O-CG2 3.19Å; A16-T20 PolarHBondContact O-N 3.49Å; A16-T20 PolarHBondContact O-OG1 3.01Å
17	L	39.3	Very low	51.1	Low	107 Å²	107	86 Å²	86	56%	0.56	49%	0.488	S	S	*	.	H	α-helix	trans	-67.7	-40.7	175.7	-79.8	160.8	0	0	0	112.2	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 2.94Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.4Å; L17-T20 VanDerWaalsContact CA-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.34Å; L17-T20 PolarHBondContact O-N 3.17Å; L17-T20 PolarHBondContact O-OG1 3.18Å; L17-E21 PolarHBondContact O-N 3.35Å
18	A	37.6	Very low	53.4	Low	51 Å²	51	77 Å²	77	42%	0.421	46%	0.458	S	S	.	.	H	α-helix	trans	-63	-39.6	175	0	0	0	0	0	111.7	S14 A15 E21 T22	S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 2.96Å; A15-A18 PolarHBondContact O-N 3.34Å; A18-E21 PolarHBondContact O-N 2.82Å; A18-T22 WeakPolarHBondContact O-CG2 3.36Å; A18-T22 PolarHBondContact O-N 3.06Å; A18-T22 VanDerWaalsContact O-N 3.15Å; A18-T22 PolarHBondContact O-OG1 2.86Å
19	L	39.2	Very low	55.7	Low	88 Å²	88	72.5 Å²	72.5	46%	0.461	43%	0.431	S	S	.	.	H	α-helix	trans	-66.6	-35.9	173.8	-94.6	136.8	0	0	0	112.6	A15 A16 L17 T22	A15-L19 WeakPolarHBondContact O-CD1 3.17Å; A15-L19 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 2.94Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.4Å; L19-T22 PolarHBondContact O-OG1 2.8Å
20	T	40.7	Very low	58	Low	85 Å²	85	71.7 Å²	71.7	52%	0.521	42%	0.42	S	S	.	.	H	α-helix	trans	-73.7	-31.7	175.1	52.7	0	0	0	0	113.6	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.19Å; A16-T20 PolarHBondContact O-N 3.49Å; A16-T20 PolarHBondContact O-OG1 3.01Å; L17-T20 VanDerWaalsContact CA-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.34Å; L17-T20 PolarHBondContact O-N 3.17Å; L17-T20 PolarHBondContact O-OG1 3.18Å
21	E	37.5	Very low	60.5	Low	166 Å²	166	67 Å²	67	78%	0.776	39%	0.394	S	S	*	.	H	α-helix	trans	-72.6	-27.5	175	-90	-172.8	154.8	0	0	112.6	L17 A18 W23	L17-E21 PolarHBondContact O-N 3.35Å; A18-E21 PolarHBondContact O-N 2.82Å; E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 2.87Å
22	T	43.9	Very low	62.8	Low	92 Å²	92	65.3 Å²	65.3	56%	0.564	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.9	-179.6	49.4	0	0	0	0	114.7	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.36Å; A18-T22 PolarHBondContact O-N 3.06Å; A18-T22 VanDerWaalsContact O-N 3.15Å; A18-T22 PolarHBondContact O-OG1 2.86Å; L19-T22 PolarHBondContact O-OG1 2.8Å
23	W	47.7	Very low	65.3	Low	49 Å²	49	59.9 Å²	59.9	19%	0.186	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-23.1	-171.7	-81.6	48.7	0	0	0	114.6	E21 G25 E236 E288	E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 2.87Å; W23-G25 PolarHBondContact O-N 3.05Å; W23-E236 HydrophobicContact CH2-CB 4.01Å; W23-E236 HydrophobicContact CH2-CG 3.42Å; W23-E236 VanDerWaalsContact CH2-CG 3.42Å; W23-E236 WeakPolarHBondContact CH2-O 3.46Å; W23-E236 HydrophobicContact CZ2-CB 4.41Å; W23-E236 HydrophobicContact CZ2-CG 3.39Å; W23-E236 HydrophobicContact CZ3-CB 4.34Å; W23-E236 HydrophobicContact CZ3-CG 4.15Å; W23-E236 VanDerWaalsContact CZ3-O 3.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.16Å; W23-E288 HydrophobicContact CB-CG 4.46Å; W23-E288 HydrophobicContact CE3-CB 3.81Å; W23-E288 HydrophobicContact CZ3-CB 4.39Å
24	A	55.3	Low	68	Low	68 Å²	68	57.1 Å²	57.1	56%	0.562	34%	0.34	S	S	*	.	S	Bend	trans	-87.7	101.3	-177.2	0	0	0	0	0	111.2	P129	A24-P129 WeakPolarHBondContact O-CG 3.12Å
25	G	77.9	Confident	70.7	Confident	22 Å²	22	54.3 Å²	54.3	23%	0.227	32%	0.321	C	S	.	.	S	Bend	trans	92.9	18.7	159.2	0	0	0	0	0	117.6	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.05Å; G25-G128 CarbonylContact O-C 3.56Å; G25-P129 WeakPolarHBondContact O-CA 3.22Å; G25-P129 WeakPolarHBondContact O-CG 3.47Å; G25-P129 VanDerWaalsContact O-N 3.15Å
26	S	91.9	Very high	73.3	Confident	60 Å²	60	54.4 Å²	54.4	42%	0.42	32%	0.316	S	S	.	.			trans	-87.1	143	162.9	63.1	0	0	0	0	110.5	V127	S26-V127 CarbonylContact C-O 3.49Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.36Å; S26-V127 WeakPolarHBondContact CB-O 3.25Å
27	H	96.3	Very high	75.9	Confident	28 Å²	28	52.8 Å²	52.8	13%	0.13	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.6	178.3	-66.3	-78.2	0	0	0	111.1	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.23Å; H27-D53 IonicContact CE1-OD2 3.68Å; H27-D53 IonicContact CG-OD2 3.51Å; H27-D53 IonicContact ND1-OD1 2.79Å; H27-D53 IonicContact ND1-OD2 2.66Å; H27-D53 PolarHBondContact ND1-OD2 2.92Å; H27-D126 CarbonylContact O-C 3.51Å; H27-D126 WeakPolarHBondContact O-CA 3.24Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 2.84Å; H27-V127 PolarHBondContact O-N 2.98Å; H27-L192 HydrophobicContact CB-CD1 4.39Å; H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4.03Å; H27-L196 HydrophobicContact CB-CG 4.46Å; H27-L196 WeakPolarHBondContact ND1-CD2 3Å
28	S	97.9	Very high	78.6	Confident	24 Å²	24	50.6 Å²	50.6	17%	0.168	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.9	177.4	64.6	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; S28-D53 PolarHBondContact N-OD1 2.8Å; S28-D53 PolarHBondContact O-N 3.46Å; S28-C125 WeakPolarHBondContact CA-O 3.4Å; S28-D126 WeakPolarHBondContact CB-OD1 3.39Å
29	M	98.7	Very high	81.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.8	165.8	-174.3	169.2	62.9	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.09Å; M29-Y51 CarbonylContact C-O 3.54Å; M29-Y51 WeakPolarHBondContact CA-O 3.28Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact CG-CZ 4.5Å; M29-F57 HydrophobicContact SD-CZ 4.22Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.25Å; M29-C125 PolarHBondContact N-O 3.18Å; M29-C125 PolarHBondContact O-N 3.5Å; M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 WeakPolarHBondContact CE-O 3.39Å; M29-C188 VanDerWaalsContact CE-SG 3.55Å; M29-W191 HydrophobicContact CE-CB 4.03Å; M29-W191 HydrophobicContact SD-CB 4.47Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-L192 HydrophobicContact SD-CB 4.47Å; M29-Y195 HydrophobicContact SD-CD2 3.68Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.7	Very high	83.9	Confident	52 Å²	52	51 Å²	51	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.4	-177.3	-57.1	-62.7	-177.9	77.8	5.8	111	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.88Å; R30-G50 WeakPolarHBondContact O-CA 3.32Å; R30-Y51 PolarHBondContact N-O 2.88Å; R30-Y51 PolarHBondContact O-N 3.37Å; R30-D126 IonicContact CZ-OD1 2.79Å; R30-D126 IonicContact NE-OD1 3.94Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 2.83Å; R30-D126 PolarHBondContact NH2-OD1 2.95Å; R30-D126 IonicContact NH2-OD2 3.71Å; R30-D126 PolarHBondContact NH2-OD2 3.42Å; R30-D126 VanDerWaalsContact NH2-OD2 3.11Å; R30-H137 PolarHBondContact NH2-NE2 3.17Å; R30-H137 VanDerWaalsContact NH2-NE2 3.15Å
31	Y	98.8	Very high	86.5	Confident	12 Å²	12	56 Å²	56	5%	0.047	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.7	169	-68.4	-88.9	0	0	0	109.5	M29 V49 F57 V58 Y91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.09Å; Y31-V49 WeakPolarHBondContact CA-O 3.49Å; Y31-F57 AromaticContact CE1-CZ 3.98Å; Y31-F57 HydrophobicContact CE1-CZ 3.98Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.36Å; Y31-V58 HydrophobicContact CE1-CG2 3.99Å; Y31-Y91 WeakPolarHBondContact CE1-OH 3.34Å; Y31-M122 WeakPolarHBondContact O-CA 3.39Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 WeakPolarHBondContact CB-OH 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.41Å; Y31-Y123 AromaticContact CD2-CE2 3.56Å; Y31-Y123 HydrophobicContact CD2-CE2 3.56Å; Y31-Y123 AromaticContact CD2-CZ 3.68Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.26Å; Y31-Y123 HydrophobicContact CE2-CE2 4.35Å; Y31-Y123 HydrophobicContact CG-CE1 4.35Å; Y31-Y123 HydrophobicContact CG-CE2 4.08Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.45Å; Y31-Y123 PolarHBondContact O-N 3.43Å
32	F	98.9	Very high	89.2	Confident	83 Å²	83	50.9 Å²	50.9	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.2	178.7	-58	-93.9	0	0	0	109.3	R30 S48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.88Å; F32-S48 WeakPolarHBondContact O-CA 3.32Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.13Å; F32-V49 PolarHBondContact O-N 2.81Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; F32-S121 WeakPolarHBondContact CA-O 3.41Å; F32-M122 HydrophobicContact CD1-CB 4.03Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.21Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.46Å; F32-M122 HydrophobicContact CZ-CG 4.05Å
33	Y	98.8	Very high	91.7	Very high	10 Å²	10	50.9 Å²	50.9	4%	0.039	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.6	177.1	-59.6	-9	0	0	0	109.6	F46 I47 S48 Y91 Q94 Q120 S121 Y123	Y33-F46 HydrophobicContact CD1-CZ 4.19Å; Y33-F46 HydrophobicContact CD2-CE2 4.1Å; Y33-F46 HydrophobicContact CD2-CZ 4.03Å; Y33-F46 HydrophobicContact CE2-CZ 4.37Å; Y33-F46 HydrophobicContact CG-CE2 4.06Å; Y33-F46 AromaticContact CG-CZ 3.89Å; Y33-F46 HydrophobicContact CG-CZ 3.89Å; Y33-I47 CarbonylContact C-O 3.55Å; Y33-I47 WeakPolarHBondContact CA-O 3.42Å; Y33-S48 VanDerWaalsContact CD1-CB 3.5Å; Y33-S48 WeakPolarHBondContact CD1-OG 3.47Å; Y33-S48 WeakPolarHBondContact CE1-OG 3.19Å; Y33-Y91 HydrophobicContact CE1-CD1 4.23Å; Y33-Y91 AromaticContact CE1-CE1 3.8Å; Y33-Y91 HydrophobicContact CE1-CE1 3.8Å; Y33-Y91 AromaticContact CZ-CE1 3.88Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.42Å; Y33-Q94 HydrophobicContact CD2-CG 3.73Å; Y33-Q94 HydrophobicContact CE2-CB 4.48Å; Y33-Q94 HydrophobicContact CE2-CG 3.61Å; Y33-Q120 VanDerWaalsContact O-CA 3.3Å; Y33-Q120 WeakPolarHBondContact O-CA 3.46Å; Y33-S121 PolarHBondContact N-O 3.27Å; Y33-S121 PolarHBondContact O-N 3.27Å; Y33-Y123 HydrophobicContact CD2-CE1 4.29Å; Y33-Y123 AromaticContact CE1-CE1 3.89Å; Y33-Y123 HydrophobicContact CE1-CE1 3.89Å; Y33-Y123 AromaticContact CE2-CE1 3.61Å; Y33-Y123 HydrophobicContact CE2-CE1 3.61Å; Y33-Y123 AromaticContact CZ-CE1 3.41Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.41Å; Y33-Y123 AromaticContact CZ-CZ 3.86Å; Y33-Y123 PolarHBondContact OH-OH 2.81Å
34	T	98.9	Very high	94	Very high	41 Å²	41	49.9 Å²	49.9	25%	0.252	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	120.2	174.8	-61	0	0	0	0	109.7	V36 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.99Å; T34-I47 PolarHBondContact N-O 2.68Å; T34-I47 PolarHBondContact O-N 3.22Å; T34-T118 HydrophobicContact CG2-CG2 4.07Å; T34-L119 WeakPolarHBondContact CA-O 3.31Å; T34-Q120 HydrophobicContact CG2-CG 4.23Å
35	S	98.8	Very high	96.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.2	177.3	-77.1	0	0	0	0	110.4	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.6Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.47Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.32Å; S35-D98 WeakPolarHBondContact CB-OD2 3.3Å; S35-D98 WeakPolarHBondContact OG-CB 3.41Å; S35-D98 PolarHBondContact OG-OD2 2.92Å; S35-T118 CarbonylContact O-C 3.59Å; S35-T118 WeakPolarHBondContact O-CA 3.39Å; S35-L119 PolarHBondContact N-O 3.04Å; S35-L119 PolarHBondContact O-N 3.19Å
36	V	98.7	Very high	97.1	Very high	52 Å²	52	49.8 Å²	49.8	32%	0.315	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.5	-177.8	-174	0	0	0	0	109.9	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.99Å; V36-P44 CarbonylContact O-C 3.56Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-R45 PolarHBondContact N-O 3.05Å; V36-R45 PolarHBondContact O-N 2.87Å; V36-T118 HydrophobicContact CG2-CG2 4.22Å
37	S	98.2	Very high	97.4	Very high	17 Å²	17	49.1 Å²	49.1	12%	0.119	27%	0.27	C	S	.	.			trans	-70.9	143.1	174.3	79.1	0	0	0	0	110.6	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.4Å; S37-S116 PolarHBondContact O-OG 3.14Å; S37-H117 PolarHBondContact N-O 2.61Å; S37-H117 PolarHBondContact OG-N 3.27Å; S37-H117 PolarHBondContact OG-O 3.15Å
38	R	96.7	Very high	97.5	Very high	62 Å²	62	47.8 Å²	47.8	23%	0.234	26%	0.263	C	S	.	.			trans	-138.4	72.7	-178	52.4	176	175.3	-162.9	-8.2	111.1	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.81Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.17Å; R38-R41 HydrophobicContact CG-CB 4.18Å; R38-R41 PolarHBondContact NE-O 2.94Å; R38-R41 WeakPolarHBondContact O-CA 3.37Å; R38-R41 PolarHBondContact O-N 3.32Å; R38-E43 PolarHBondContact NE-O 2.91Å; R38-E43 PolarHBondContact NH2-O 2.89Å; R38-E43 VanDerWaalsContact NH2-O 3.08Å; R38-D63 IonicContact CZ-OD1 2.91Å; R38-D63 IonicContact CZ-OD2 3.73Å; R38-D63 IonicContact NH1-OD1 2.76Å; R38-D63 PolarHBondContact NH1-OD1 2.89Å; R38-D63 IonicContact NH1-OD2 3.67Å; R38-D63 PolarHBondContact NH1-OD2 2.86Å; R38-D63 IonicContact NH2-OD1 3.38Å; R38-D63 PolarHBondContact NH2-OD1 3.32Å; R38-D63 IonicContact NH2-OD2 3.63Å
39	P	94.3	Very high	97.6	Very high	56 Å²	56	48.1 Å²	48.1	36%	0.364	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	131.6	-177.3	-26.8	34.4	0	0	0	112.3	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.25Å; P39-R41 PolarHBondContact O-N 2.8Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; P39-G115 WeakPolarHBondContact CG-O 3.32Å
40	G	93.8	Very high	97.6	Very high	90 Å²	90	48.1 Å²	48.1	93%	0.928	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	0.2	-177	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.81Å
41	R	95	Very high	97.6	Very high	192 Å²	192	49.1 Å²	49.1	73%	0.725	27%	0.268	S	S	*	.	S	Bend	trans	-124.9	26.9	-179.3	-64.3	-170.1	-80.3	167.7	-5.6	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.17Å; R38-R41 HydrophobicContact CG-CB 4.18Å; R38-R41 PolarHBondContact NE-O 2.94Å; R38-R41 WeakPolarHBondContact O-CA 3.37Å; R38-R41 PolarHBondContact O-N 3.32Å; P39-R41 VanDerWaalsContact C-N 3.25Å; P39-R41 PolarHBondContact O-N 2.8Å
42	G	93.6	Very high	97.6	Very high	57 Å²	57	48.5 Å²	48.5	59%	0.588	27%	0.266	S	S	*	.	S	Bend	trans	93.7	-162.3	179.1	0	0	0	0	0	113.6
43	E	96.1	Very high	97.5	Very high	93 Å²	93	46 Å²	46	44%	0.435	26%	0.256	S	S	.	.	S	Bend	trans	-70	156.3	-178.8	-62.4	-55.5	161.7	0	0	112.7	R38 R45 R99	R38-E43 PolarHBondContact NE-O 2.91Å; R38-E43 PolarHBondContact NH2-O 2.89Å; R38-E43 VanDerWaalsContact NH2-O 3.08Å; E43-R45 PolarHBondContact O-N 2.92Å; E43-R99 IonicContact OE1-CZ 2.73Å; E43-R99 IonicContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH1 3.85Å; E43-R99 PolarHBondContact OE1-NH1 3.1Å; E43-R99 IonicContact OE1-NH2 3.87Å; E43-R99 PolarHBondContact OE1-NH2 3.32Å; E43-R99 WeakPolarHBondContact OE2-CD 3.23Å; E43-R99 IonicContact OE2-CZ 3.56Å; E43-R99 IonicContact OE2-NE 3.9Å; E43-R99 PolarHBondContact OE2-NE 3.13Å; E43-R99 IonicContact OE2-NH1 3.49Å; E43-R99 PolarHBondContact OE2-NH1 2.91Å; E43-R99 IonicContact OE2-NH2 3.59Å; E43-R99 PolarHBondContact OE2-NH2 2.78Å
44	P	97.8	Very high	97.3	Very high	28 Å²	28	48.5 Å²	48.5	18%	0.182	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-51.2	134.9	171	-24.9	34.6	0	0	0	111.4	V36 R99 L102	V36-P44 CarbonylContact O-C 3.56Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.19Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.84Å
45	R	98.5	Very high	97.2	Very high	86 Å²	86	47.3 Å²	47.3	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.2	173.9	-176.9	-177.3	-175.4	-179.1	-1	108.5	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.6Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.47Å; V36-R45 PolarHBondContact N-O 3.05Å; V36-R45 PolarHBondContact O-N 2.87Å; E43-R45 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; R45-D61 IonicContact CZ-OD1 2.96Å; R45-D61 IonicContact CZ-OD2 2.99Å; R45-D61 IonicContact NE-OD1 3.4Å; R45-D61 PolarHBondContact NE-OD1 2.74Å; R45-D61 IonicContact NE-OD2 3.86Å; R45-D61 IonicContact NH2-OD1 3.72Å; R45-D61 PolarHBondContact NH2-OD1 3.42Å; R45-D61 IonicContact NH2-OD2 2.7Å; R45-D61 PolarHBondContact NH2-OD2 2.74Å; R45-S62 WeakPolarHBondContact CA-OG 3.45Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.35Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 2.81Å
46	F	98.8	Very high	97.2	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.5	175.2	175.1	-88.3	0	0	0	109.7	Y33 S35 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.19Å; Y33-F46 HydrophobicContact CD2-CE2 4.1Å; Y33-F46 HydrophobicContact CD2-CZ 4.03Å; Y33-F46 HydrophobicContact CE2-CZ 4.37Å; Y33-F46 HydrophobicContact CG-CE2 4.06Å; Y33-F46 AromaticContact CG-CZ 3.89Å; Y33-F46 HydrophobicContact CG-CZ 3.89Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.32Å; F46-F60 AromaticContact CD1-CD1 3.64Å; F46-F60 HydrophobicContact CD1-CD1 3.64Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.83Å; F46-F60 HydrophobicContact CE1-CD1 3.83Å; F46-F60 HydrophobicContact CE1-CE1 4.26Å; F46-S62 PolarHBondContact N-OG 3.39Å; F46-S62 PolarHBondContact O-N 3.06Å; F46-S62 PolarHBondContact O-OG 2.94Å; F46-Y91 HydrophobicContact CE1-CD1 4.19Å; F46-Y91 HydrophobicContact CE1-CG 4.45Å; F46-Y91 HydrophobicContact CZ-CD1 4.35Å; F46-Q94 HydrophobicContact CE2-CB 4.23Å; F46-Q94 HydrophobicContact CE2-CG 3.69Å; F46-Q94 HydrophobicContact CZ-CB 4.11Å; F46-Q94 HydrophobicContact CZ-CG 3.89Å; F46-A95 HydrophobicContact CB-CB 3.65Å; F46-A95 HydrophobicContact CD1-CB 4.03Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CG-CB 3.66Å; F46-D98 HydrophobicContact CD2-CB 4.47Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.44Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.34Å
47	I	98.8	Very high	97.2	Very high	47 Å²	47	47.4 Å²	47.4	24%	0.241	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.5	172.8	-64.5	160.1	0	0	0	108	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.55Å; Y33-I47 WeakPolarHBondContact CA-O 3.42Å; T34-I47 PolarHBondContact N-O 2.68Å; T34-I47 PolarHBondContact O-N 3.22Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; I47-V49 HydrophobicContact CG2-CG1 4.44Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å
48	S	98.8	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.3	170.2	163.3	0	0	0	0	109.6	F32 Y33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.32Å; Y33-S48 VanDerWaalsContact CD1-CB 3.5Å; Y33-S48 WeakPolarHBondContact CD1-OG 3.47Å; Y33-S48 WeakPolarHBondContact CE1-OG 3.19Å; S48-R59 CarbonylContact O-C 3.49Å; S48-R59 VanDerWaalsContact O-CA 3.31Å; S48-R59 WeakPolarHBondContact O-CA 3.44Å; S48-F60 PolarHBondContact N-O 2.63Å; S48-F60 PolarHBondContact O-N 3.02Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.45Å
49	V	98.9	Very high	97.3	Very high	31 Å²	31	47.6 Å²	47.6	19%	0.188	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.6	170	-63.5	0	0	0	0	109.9	Y31 F32 I47 Y51 Q56 R59	Y31-V49 WeakPolarHBondContact CA-O 3.49Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.13Å; F32-V49 PolarHBondContact O-N 2.81Å; I47-V49 HydrophobicContact CG2-CG1 4.44Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.31Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50	G	98.8	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138	176.7	0	0	0	0	0	111.1	R30 Q56 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.32Å; G50-Q56 WeakPolarHBondContact O-CA 3.23Å; G50-Q56 WeakPolarHBondContact O-CG 3.49Å; G50-F57 WeakPolarHBondContact O-CD1 3.48Å; G50-F57 PolarHBondContact O-N 3.15Å; G50-V58 PolarHBondContact N-O 2.78Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 2.9Å
51	Y	98.7	Very high	97.7	Very high	72 Å²	72	41.5 Å²	41.5	28%	0.282	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.3	178.9	-78.2	-102.8	0	0	0	110.9	M29 R30 F32 V49 T55 Q56 F57	M29-Y51 CarbonylContact C-O 3.54Å; M29-Y51 WeakPolarHBondContact CA-O 3.28Å; R30-Y51 PolarHBondContact N-O 2.88Å; R30-Y51 PolarHBondContact O-N 3.37Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; Y51-T55 WeakPolarHBondContact CA-O 3.4Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.55Å; Y51-Q56 HydrophobicContact CE1-CG 4.29Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.78Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Y51-F57 VanDerWaalsContact N-CE1 3.35Å
52	V	98.3	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.6	156.6	176.7	0	0	0	0	106.2	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; V52-D54 PolarHBondContact O-N 3.36Å; V52-T55 PolarHBondContact N-O 2.93Å; V52-T55 WeakPolarHBondContact O-CB 3.27Å; V52-T55 PolarHBondContact O-N 2.96Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4Å; V52-W75 HydrophobicContact CB-CH2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.63Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.35Å; V52-L203 HydrophobicContact CB-CD2 4.22Å; V52-L203 HydrophobicContact CG1-CD1 3.95Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å
53	D	96.4	Very high	98.1	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.16	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-125.3	-166.4	-51.8	-39.3	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.23Å; H27-D53 IonicContact CE1-OD2 3.68Å; H27-D53 IonicContact CG-OD2 3.51Å; H27-D53 IonicContact ND1-OD1 2.79Å; H27-D53 IonicContact ND1-OD2 2.66Å; H27-D53 PolarHBondContact ND1-OD2 2.92Å; S28-D53 PolarHBondContact N-OD1 2.8Å; S28-D53 PolarHBondContact O-N 3.46Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	96.4	Very high	98.2	Very high	62 Å²	62	31.8 Å²	31.8	33%	0.332	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	11.2	178.3	-63.9	-54.6	0	0	0	113.7	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.36Å; D54-Y233 HydrophobicContact CB-CE2 3.9Å; D54-P234 VanDerWaalsContact OD2-CB 3.22Å; D54-P234 WeakPolarHBondContact OD2-CB 3.38Å; D54-A235 HydrophobicContact CB-CB 4.38Å; D54-A235 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 PolarHBondContact OD2-N 3.49Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.7	Very high	98.1	Very high	17 Å²	17	36 Å²	36	10%	0.104	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.8	-177.5	-57.4	0	0	0	0	111.5	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.4Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.93Å; V52-T55 WeakPolarHBondContact O-CB 3.27Å; V52-T55 PolarHBondContact O-N 2.96Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 3.43Å; T55-L203 HydrophobicContact CG2-CD2 4.14Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.1Å; T55-Y233 PolarHBondContact OG1-OH 2.98Å; T55-R263 PolarHBondContact OG1-NE 3.45Å
56	Q	97.8	Very high	98.1	Very high	54 Å²	54	35.6 Å²	35.6	25%	0.252	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.1	173	-165.9	179.9	-2	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.31Å; G50-Q56 WeakPolarHBondContact O-CA 3.23Å; G50-Q56 WeakPolarHBondContact O-CG 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.55Å; Y51-Q56 HydrophobicContact CE1-CG 4.29Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.78Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Q56-V58 PolarHBondContact NE2-O 3.34Å; Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.4Å
57	F	98.2	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-23.3	-179.7	74.4	-82.8	0	0	0	114.7	M29 Y31 G50 Y51 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact CG-CZ 4.5Å; M29-F57 HydrophobicContact SD-CZ 4.22Å; Y31-F57 AromaticContact CE1-CZ 3.98Å; Y31-F57 HydrophobicContact CE1-CZ 3.98Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.36Å; G50-F57 WeakPolarHBondContact O-CD1 3.48Å; G50-F57 PolarHBondContact O-N 3.15Å; Y51-F57 VanDerWaalsContact N-CE1 3.35Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4Å; T55-F57 PolarHBondContact O-N 3.43Å; F57-R72 PolarHBondContact O-N 3.02Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CZ3 4.08Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.3Å; F57-Y195 HydrophobicContact CD2-CE2 4.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CE2-CE2 3.67Å; F57-Y195 AromaticContact CE2-CZ 4Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å
58	V	98.6	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.8	177	-72.1	0	0	0	0	112.7	Y31 G50 Q56 E69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.99Å; G50-V58 PolarHBondContact N-O 2.78Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 2.9Å; Q56-V58 PolarHBondContact NE2-O 3.34Å; V58-E69 HydrophobicContact CB-CG 3.94Å; V58-E69 WeakPolarHBondContact CB-OE1 3.36Å; V58-E69 HydrophobicContact CG1-CG 4Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.36Å; V58-E70 WeakPolarHBondContact CA-O 3.29Å; V58-I76 HydrophobicContact CG1-CG1 4.31Å; V58-W84 HydrophobicContact CG1-CH2 4.28Å; V58-W84 HydrophobicContact CG1-CZ3 3.99Å
59	R	98.6	Very high	98	Very high	84 Å²	84	41.6 Å²	41.6	32%	0.317	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.2	171.4	177.6	175.8	170.6	-178	-3.8	111	S48 V49 D61 E69 E70 R72	S48-R59 CarbonylContact O-C 3.49Å; S48-R59 VanDerWaalsContact O-CA 3.31Å; S48-R59 WeakPolarHBondContact O-CA 3.44Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact CZ-OD2 3.75Å; R59-D61 IonicContact NH2-OD2 3.72Å; R59-D61 PolarHBondContact NH2-OD2 3.5Å; R59-E69 WeakPolarHBondContact O-CA 3.46Å; R59-E70 PolarHBondContact N-O 2.93Å; R59-E70 PolarHBondContact O-N 3.41Å; R59-R72 HydrophobicContact CB-CG 4Å
60	F	98.8	Very high	97.9	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.7	164.1	178.5	-81.2	0	0	0	109.8	F46 I47 S48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.64Å; F46-F60 HydrophobicContact CD1-CD1 3.64Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.83Å; F46-F60 HydrophobicContact CE1-CD1 3.83Å; F46-F60 HydrophobicContact CE1-CE1 4.26Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å; S48-F60 PolarHBondContact N-O 2.63Å; S48-F60 PolarHBondContact O-N 3.02Å; F60-P67 HydrophobicContact CE1-CB 4.43Å; F60-P67 HydrophobicContact CE2-CB 3.93Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; F60-R68 VanDerWaalsContact CD2-C 3.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.36Å; F60-Y91 HydrophobicContact CB-CD2 3.78Å; F60-Y91 HydrophobicContact CB-CE2 4.31Å; F60-Y91 HydrophobicContact CB-CG 3.95Å; F60-Y91 HydrophobicContact CD1-CG 4.48Å; F60-Y91 AromaticContact CD2-CD2 3.85Å; F60-Y91 HydrophobicContact CD2-CD2 3.85Å; F60-Y91 HydrophobicContact CD2-CG 4.1Å; F60-Y91 AromaticContact CG-CD2 3.96Å; F60-Y91 HydrophobicContact CG-CD2 3.96Å; F60-Y91 AromaticContact CG-CG 3.94Å; F60-Y91 HydrophobicContact CG-CG 3.94Å; F60-K92 HydrophobicContact CE2-CG 4.28Å; F60-K92 HydrophobicContact CZ-CG 4Å
61	D	98.8	Very high	97.9	Very high	15 Å²	15	46 Å²	46	8%	0.08	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	118.7	176.9	-164.1	-26.5	0	0	0	109.9	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.96Å; R45-D61 IonicContact CZ-OD2 2.99Å; R45-D61 IonicContact NE-OD1 3.4Å; R45-D61 PolarHBondContact NE-OD1 2.74Å; R45-D61 IonicContact NE-OD2 3.86Å; R45-D61 IonicContact NH2-OD1 3.72Å; R45-D61 PolarHBondContact NH2-OD1 3.42Å; R45-D61 IonicContact NH2-OD2 2.7Å; R45-D61 PolarHBondContact NH2-OD2 2.74Å; R59-D61 IonicContact CZ-OD2 3.75Å; R59-D61 IonicContact NH2-OD2 3.72Å; R59-D61 PolarHBondContact NH2-OD2 3.5Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-D63 PolarHBondContact OD1-N 3.36Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 3.24Å; D61-A64 VanDerWaalsContact O-N 3.16Å
62	S	98.4	Very high	97.9	Very high	34 Å²	34	48.1 Å²	48.1	24%	0.238	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.9	-178.6	68.8	0	0	0	0	113.5	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.45Å; F46-S62 PolarHBondContact N-OG 3.39Å; F46-S62 PolarHBondContact O-N 3.06Å; F46-S62 PolarHBondContact O-OG 2.94Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.42Å
63	D	97.9	Very high	97.8	Very high	68 Å²	68	48.4 Å²	48.4	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.2	179.2	-79.3	5.6	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.91Å; R38-D63 IonicContact CZ-OD2 3.73Å; R38-D63 IonicContact NH1-OD1 2.76Å; R38-D63 PolarHBondContact NH1-OD1 2.89Å; R38-D63 IonicContact NH1-OD2 3.67Å; R38-D63 PolarHBondContact NH1-OD2 2.86Å; R38-D63 IonicContact NH2-OD1 3.38Å; R38-D63 PolarHBondContact NH2-OD1 3.32Å; R38-D63 IonicContact NH2-OD2 3.63Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.35Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 2.81Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-D63 PolarHBondContact OD1-N 3.36Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å
64	A	97.5	Very high	97.7	Very high	35 Å²	35	52 Å²	52	29%	0.289	29%	0.29	S	S	.	.	S	Bend	trans	-62.1	149.6	172.8	0	0	0	0	0	110.8	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 3.24Å; D61-A64 VanDerWaalsContact O-N 3.16Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.43Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 WeakPolarHBondContact O-CG 3.26Å
65	A	97.1	Very high	97.7	Very high	117 Å²	117	50.1 Å²	50.1	97%	0.967	28%	0.278	S	S	*	.	S	Bend	trans	-59.1	-32	-179.6	0	0	0	0	0	113
66	S	96.7	Very high	97.8	Very high	77 Å²	77	49.3 Å²	49.3	54%	0.538	27%	0.273	S	S	.	.	S	Bend	trans	-134.4	88.9	171.9	-177	0	0	0	0	108.4	A64 R68	A64-S66 PolarHBondContact O-N 3.43Å; S66-R68 PolarHBondContact O-N 2.89Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.7	Very high	97.7	Very high	33 Å²	33	52.6 Å²	52.6	21%	0.214	29%	0.288	C	S	.	.			trans	-62.4	114.5	-175.2	-24.8	35.5	0	0	0	111.7	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.43Å; F60-P67 HydrophobicContact CE2-CB 3.93Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; S62-P67 WeakPolarHBondContact O-CG 3.42Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 WeakPolarHBondContact O-CG 3.26Å; P67-K92 WeakPolarHBondContact O-CE 3.21Å; P67-K92 PolarHBondContact O-NZ 3.27Å
68	R	98.3	Very high	97.6	Very high	134 Å²	134	58.2 Å²	58.2	51%	0.506	32%	0.315	S	S	.	.			trans	-144.6	157.5	177.2	-66.1	-167.2	172.4	-151.4	-6.5	109.6	F60 S66 T88	F60-R68 VanDerWaalsContact CD2-C 3.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.36Å; S66-R68 PolarHBondContact O-N 2.89Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.15Å
69	E	98.4	Very high	97.5	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.037	32%	0.318	C	S	.	.			trans	-68.5	131.8	165.9	-170.8	-179.5	-131	0	0	108.8	V58 R59 Y83 W84 N87 T88 Y91	V58-E69 HydrophobicContact CB-CG 3.94Å; V58-E69 WeakPolarHBondContact CB-OE1 3.36Å; V58-E69 HydrophobicContact CG1-CG 4Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.36Å; R59-E69 WeakPolarHBondContact O-CA 3.46Å; E69-Y83 WeakPolarHBondContact OE2-CE1 3.03Å; E69-W84 HydrophobicContact CB-CE3 4.16Å; E69-W84 HydrophobicContact CB-CZ3 4.48Å; E69-W84 HydrophobicContact CG-CE3 4.09Å; E69-W84 HydrophobicContact CG-CZ3 3.94Å; E69-N87 HydrophobicContact CB-CB 4.49Å; E69-N87 WeakPolarHBondContact OE2-CB 3.42Å; E69-N87 PolarHBondContact OE2-ND2 3.37Å; E69-T88 PolarHBondContact N-OG1 3.01Å; E69-Y91 HydrophobicContact CB-CD2 4.11Å; E69-Y91 HydrophobicContact CB-CE2 3.81Å; E69-Y91 VanDerWaalsContact CD-CE2 3.48Å; E69-Y91 HydrophobicContact CG-CD2 4.42Å; E69-Y91 HydrophobicContact CG-CE2 3.67Å; E69-Y91 WeakPolarHBondContact OE1-CE2 3.36Å; E69-Y91 PolarHBondContact OE1-OH 3Å
70	E	98.3	Very high	97.5	Very high	75 Å²	75	56.2 Å²	56.2	35%	0.35	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.5	-177.3	-63.2	176.6	155.3	0	0	110.4	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.29Å; R59-E70 PolarHBondContact N-O 2.93Å; R59-E70 PolarHBondContact O-N 3.41Å; E70-R72 IonicContact OE2-CZ 3.73Å; E70-R72 IonicContact OE2-NH2 3.11Å; E70-R72 PolarHBondContact OE2-NH2 3.48Å
71	P	98.3	Very high	97.4	Very high	49 Å²	49	60.1 Å²	60.1	32%	0.318	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144.7	174.4	28.3	-34.3	0	0	0	111.3	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.68Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 4.14Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.26Å
72	R	97.7	Very high	97.4	Very high	116 Å²	116	66.2 Å²	66.2	44%	0.438	37%	0.37	S	S	.	.			trans	-127.2	-1.4	174	-60.1	-64.3	171.3	-172.3	-1.6	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.4Å; F57-R72 PolarHBondContact O-N 3.02Å; R59-R72 HydrophobicContact CB-CG 4Å; E70-R72 IonicContact OE2-CZ 3.73Å; E70-R72 IonicContact OE2-NH2 3.11Å; E70-R72 PolarHBondContact OE2-NH2 3.48Å
73	A	96.1	Very high	97.3	Very high	5 Å²	5	65.2 Å²	65.2	4%	0.041	36%	0.361	C	S	.	.	S	Bend	trans	-136.7	144	173.1	0	0	0	0	0	111.2	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 2.95Å; A73-I76 WeakPolarHBondContact O-CG2 3.34Å; A73-I76 PolarHBondContact O-N 2.87Å
74	P	96.3	Very high	97.4	Very high	105 Å²	105	63.9 Å²	63.9	68%	0.682	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-59.5	-34.4	-177.8	-26.8	35.1	0	0	0	114.4	I76 E77	P74-I76 VanDerWaalsContact C-N 3.25Å; P74-I76 PolarHBondContact O-N 3.33Å; P74-E77 WeakPolarHBondContact O-CB 3.35Å; P74-E77 PolarHBondContact O-N 2.91Å
75	W	95.8	Very high	97.4	Very high	23 Å²	23	66 Å²	66	9%	0.087	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-72	-15.2	-176.3	53.7	-105.5	0	0	0	113.9	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CZ3 4.08Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 2.95Å; W75-Q78 WeakPolarHBondContact O-CG 3.36Å; W75-Q78 PolarHBondContact O-NE2 3.45Å; W75-Y195 HydrophobicContact CE3-CD1 4.4Å; W75-Y195 HydrophobicContact CH2-CD2 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.7Å; W75-Y195 HydrophobicContact CZ3-CD1 3.7Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.46Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.22Å; W75-L203 HydrophobicContact CZ2-CG 4.48Å
76	I	97.6	Very high	97.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-88.8	-19.7	173.9	-162.5	71.9	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.3Å; V58-I76 HydrophobicContact CG1-CG1 4.31Å; P71-I76 HydrophobicContact CB-CG2 3.68Å; A73-I76 WeakPolarHBondContact O-CG2 3.34Å; A73-I76 PolarHBondContact O-N 2.87Å; P74-I76 VanDerWaalsContact C-N 3.25Å; P74-I76 PolarHBondContact O-N 3.33Å; I76-Q78 PolarHBondContact O-N 3.43Å; I76-Q78 VanDerWaalsContact O-N 3.09Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.17Å; I76-E79 WeakPolarHBondContact O-CB 3.42Å; I76-E79 WeakPolarHBondContact O-CG 3.47Å; I76-E79 PolarHBondContact O-N 3.29Å; I76-Y83 HydrophobicContact CD1-CE1 4.34Å; I76-Y83 HydrophobicContact CG1-CE1 4.32Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.21Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 WeakPolarHBondContact O-CZ2 3.22Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.28Å
77	E	96.6	Very high	97.5	Very high	123 Å²	123	62.8 Å²	62.8	58%	0.575	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.5	-176.9	-65.4	179.1	-171.2	0	0	113.5	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.35Å; P74-E77 PolarHBondContact O-N 2.91Å; E77-E79 PolarHBondContact O-N 2.92Å
78	Q	95.8	Very high	97.6	Very high	118 Å²	118	61.3 Å²	61.3	55%	0.551	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.5	176	70.2	-173.6	-35.4	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.36Å; W75-Q78 PolarHBondContact O-NE2 3.45Å; I76-Q78 PolarHBondContact O-N 3.43Å; I76-Q78 VanDerWaalsContact O-N 3.09Å; Q78-N198 PolarHBondContact NE2-ND2 3.26Å; Q78-N198 PolarHBondContact NE2-OD1 2.79Å
79	E	97.5	Very high	97.6	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.065	30%	0.303	C	S	.	.	S	Bend	trans	-65.2	138.7	177.5	-66.7	-60.5	159.5	0	0	111	I76 E77 Y83 W84 R194	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.17Å; I76-E79 WeakPolarHBondContact O-CB 3.42Å; I76-E79 WeakPolarHBondContact O-CG 3.47Å; I76-E79 PolarHBondContact O-N 3.29Å; E77-E79 PolarHBondContact O-N 2.92Å; E79-Y83 HydrophobicContact CB-CD1 3.67Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.31Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.15Å; E79-Y83 HydrophobicContact CG-CD2 4.39Å; E79-Y83 HydrophobicContact CG-CE1 4.38Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 HydrophobicContact CB-CZ2 4.35Å; E79-W84 PolarHBondContact O-NE1 2.89Å; E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 2.8Å; E79-R194 IonicContact OE1-NE 2.8Å; E79-R194 PolarHBondContact OE1-NE 2.89Å; E79-R194 IonicContact OE1-NH2 2.72Å; E79-R194 PolarHBondContact OE1-NH2 3.46Å; E79-R194 VanDerWaalsContact OE1-NH2 3.13Å; E79-R194 IonicContact OE2-CZ 3.21Å; E79-R194 IonicContact OE2-NE 3.76Å; E79-R194 IonicContact OE2-NH2 4Å; E79-R194 PolarHBondContact OE2-NH2 3.48Å
80	G	97.1	Very high	97.6	Very high	29 Å²	29	64 Å²	64	30%	0.299	32%	0.321	S	S	.	.			trans	-69.3	166	-175.4	0	0	0	0	0	113.8	E82 Y83	G80-E82 PolarHBondContact O-N 3.31Å; G80-E82 VanDerWaalsContact O-N 3.15Å; G80-Y83 WeakPolarHBondContact O-CB 2.94Å; G80-Y83 PolarHBondContact O-N 3.49Å
81	P	97.7	Very high	97.6	Very high	85 Å²	85	60.8 Å²	60.8	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-57.2	-31.2	-179.9	23.9	-33.2	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.41Å; P81-W84 PolarHBondContact O-N 3.36Å; P81-D85 WeakPolarHBondContact O-CB 3.12Å; P81-D85 PolarHBondContact O-N 3.33Å
82	E	97.9	Very high	97.6	Very high	142 Å²	142	62.3 Å²	62.3	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-62.7	-35.3	178.2	-59.7	78.8	-171.6	0	0	112.4	G80 R86	G80-E82 PolarHBondContact O-N 3.31Å; G80-E82 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.48Å; E82-R86 PolarHBondContact O-N 3.45Å
83	Y	98.1	Very high	97.6	Very high	13 Å²	13	59.5 Å²	59.5	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-52.7	175.9	172.3	-90.7	0	0	0	110.4	E69 I76 E79 G80 P81 D85 R86 N87 W191 Y195	E69-Y83 WeakPolarHBondContact OE2-CE1 3.03Å; I76-Y83 HydrophobicContact CD1-CE1 4.34Å; I76-Y83 HydrophobicContact CG1-CE1 4.32Å; E79-Y83 HydrophobicContact CB-CD1 3.67Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.31Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.15Å; E79-Y83 HydrophobicContact CG-CD2 4.39Å; E79-Y83 HydrophobicContact CG-CE1 4.38Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 2.94Å; G80-Y83 PolarHBondContact O-N 3.49Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.41Å; Y83-D85 PolarHBondContact O-N 2.88Å; Y83-R86 PolarHBondContact O-N 3.45Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.32Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.31Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.27Å; Y83-N87 WeakPolarHBondContact O-CB 3.28Å; Y83-N87 PolarHBondContact O-N 3.38Å; Y83-N87 PolarHBondContact OH-ND2 3.23Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.18Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.33Å; Y83-W191 AromaticContact CE2-CH2 3.9Å; Y83-W191 HydrophobicContact CE2-CH2 3.9Å; Y83-W191 HydrophobicContact CE2-CZ2 4.4Å; Y83-W191 AromaticContact CE2-CZ3 3.85Å; Y83-W191 HydrophobicContact CE2-CZ3 3.85Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.14Å; Y83-Y195 PolarHBondContact OH-OH 3.06Å
84	W	98.4	Very high	97.8	Very high	40 Å²	40	61.6 Å²	61.6	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-42.3	-177.9	-60.5	111.2	0	0	0	112.5	V58 E69 P71 I76 E79 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.28Å; V58-W84 HydrophobicContact CG1-CZ3 3.99Å; E69-W84 HydrophobicContact CB-CE3 4.16Å; E69-W84 HydrophobicContact CB-CZ3 4.48Å; E69-W84 HydrophobicContact CG-CE3 4.09Å; E69-W84 HydrophobicContact CG-CZ3 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 4.14Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.21Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 WeakPolarHBondContact O-CZ2 3.22Å; E79-W84 HydrophobicContact CB-CZ2 4.35Å; E79-W84 PolarHBondContact O-NE1 2.89Å; P81-W84 PolarHBondContact O-N 3.36Å; W84-T88 WeakPolarHBondContact O-CB 3.46Å; W84-T88 PolarHBondContact O-N 3.38Å; W84-T88 PolarHBondContact O-OG1 3.01Å
85	D	98.4	Very high	97.9	Very high	81 Å²	81	57.4 Å²	57.4	43%	0.433	29%	0.291	S	S	.	.	H	α-helix	trans	-67.3	-45.9	178.5	-78.3	-20.4	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.12Å; P81-D85 PolarHBondContact O-N 3.33Å; Y83-D85 PolarHBondContact O-N 2.88Å; D85-T88 PolarHBondContact O-N 3.07Å; D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-N 3.49Å
86	R	98.2	Very high	98	Very high	111 Å²	111	61.6 Å²	61.6	42%	0.419	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-52.4	177.7	-177.2	-176.4	69.9	169.5	2.7	111.4	E82 Y83 T88 Q89 I90 W191	E82-R86 WeakPolarHBondContact O-CB 3.48Å; E82-R86 PolarHBondContact O-N 3.45Å; Y83-R86 PolarHBondContact O-N 3.45Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 2.98Å; R86-Q89 PolarHBondContact O-N 3.32Å; R86-Q89 VanDerWaalsContact O-N 3.14Å; R86-I90 HydrophobicContact CG-CD1 4.19Å; R86-I90 WeakPolarHBondContact O-CG1 3.29Å; R86-I90 PolarHBondContact O-N 2.99Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.31Å
87	N	98.2	Very high	98	Very high	14 Å²	14	65 Å²	65	8%	0.075	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-36.2	-177.3	-67.8	-9	0	0	0	111.9	E69 Y83 Q89 I90 Y91	E69-N87 HydrophobicContact CB-CB 4.49Å; E69-N87 WeakPolarHBondContact OE2-CB 3.42Å; E69-N87 PolarHBondContact OE2-ND2 3.37Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.32Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.31Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.27Å; Y83-N87 WeakPolarHBondContact O-CB 3.28Å; Y83-N87 PolarHBondContact O-N 3.38Å; Y83-N87 PolarHBondContact OH-ND2 3.23Å; N87-Q89 VanDerWaalsContact C-N 3.26Å; N87-Q89 PolarHBondContact O-N 3.27Å; N87-I90 WeakPolarHBondContact O-CB 3.48Å; N87-I90 PolarHBondContact O-N 2.92Å; N87-I90 VanDerWaalsContact O-N 3.11Å; N87-Y91 HydrophobicContact CB-CE2 4.04Å; N87-Y91 WeakPolarHBondContact O-CD2 3.48Å; N87-Y91 PolarHBondContact O-N 3.12Å
88	T	98.6	Very high	98.1	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-56.5	-41.8	171.4	-68.4	0	0	0	0	111.7	R68 E69 W84 D85 R86 K92	R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.15Å; E69-T88 PolarHBondContact N-OG1 3.01Å; W84-T88 WeakPolarHBondContact O-CB 3.46Å; W84-T88 PolarHBondContact O-N 3.38Å; W84-T88 PolarHBondContact O-OG1 3.01Å; D85-T88 PolarHBondContact O-N 3.07Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 2.98Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.22Å; T88-K92 PolarHBondContact O-N 2.78Å; T88-K92 VanDerWaalsContact O-N 3.11Å
89	Q	98.6	Very high	98.2	Very high	118 Å²	118	57.3 Å²	57.3	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-67.9	-39.6	175.5	-63.6	-53.9	-36.4	0	0	112	D85 R86 N87 Y91 K92 A93	D85-Q89 WeakPolarHBondContact O-CG 3.45Å; D85-Q89 PolarHBondContact O-N 3.49Å; R86-Q89 PolarHBondContact O-N 3.32Å; R86-Q89 VanDerWaalsContact O-N 3.14Å; N87-Q89 VanDerWaalsContact C-N 3.26Å; N87-Q89 PolarHBondContact O-N 3.27Å; Q89-Y91 PolarHBondContact O-N 2.79Å; Q89-K92 PolarHBondContact O-N 2.84Å; Q89-A93 WeakPolarHBondContact O-CB 3.38Å; Q89-A93 PolarHBondContact O-N 2.83Å
90	I	98.2	Very high	98.3	Very high	81 Å²	81	62 Å²	62	42%	0.415	32%	0.316	S	S	.	.	H	α-helix	trans	-56.9	-51	175.2	-68.6	169.1	0	0	0	110.4	R86 N87 K92 A93 Q94	R86-I90 HydrophobicContact CG-CD1 4.19Å; R86-I90 WeakPolarHBondContact O-CG1 3.29Å; R86-I90 PolarHBondContact O-N 2.99Å; N87-I90 WeakPolarHBondContact O-CB 3.48Å; N87-I90 PolarHBondContact O-N 2.92Å; N87-I90 VanDerWaalsContact O-N 3.11Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 3.36Å; I90-A93 PolarHBondContact O-N 3.42Å; I90-Q94 WeakPolarHBondContact O-CB 3.4Å; I90-Q94 PolarHBondContact O-N 3.35Å
91	Y	98.6	Very high	98.3	Very high	6 Å²	6	62.5 Å²	62.5	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-33.8	179.6	-61.5	-54.7	0	0	0	113.2	Y31 Y33 F46 S48 F60 E69 N87 Q89 Q94 A95	Y31-Y91 WeakPolarHBondContact CE1-OH 3.34Å; Y33-Y91 HydrophobicContact CE1-CD1 4.23Å; Y33-Y91 AromaticContact CE1-CE1 3.8Å; Y33-Y91 HydrophobicContact CE1-CE1 3.8Å; Y33-Y91 AromaticContact CZ-CE1 3.88Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.42Å; F46-Y91 HydrophobicContact CE1-CD1 4.19Å; F46-Y91 HydrophobicContact CE1-CG 4.45Å; F46-Y91 HydrophobicContact CZ-CD1 4.35Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.45Å; F60-Y91 HydrophobicContact CB-CD2 3.78Å; F60-Y91 HydrophobicContact CB-CE2 4.31Å; F60-Y91 HydrophobicContact CB-CG 3.95Å; F60-Y91 HydrophobicContact CD1-CG 4.48Å; F60-Y91 AromaticContact CD2-CD2 3.85Å; F60-Y91 HydrophobicContact CD2-CD2 3.85Å; F60-Y91 HydrophobicContact CD2-CG 4.1Å; F60-Y91 AromaticContact CG-CD2 3.96Å; F60-Y91 HydrophobicContact CG-CD2 3.96Å; F60-Y91 AromaticContact CG-CG 3.94Å; F60-Y91 HydrophobicContact CG-CG 3.94Å; E69-Y91 HydrophobicContact CB-CD2 4.11Å; E69-Y91 HydrophobicContact CB-CE2 3.81Å; E69-Y91 VanDerWaalsContact CD-CE2 3.48Å; E69-Y91 HydrophobicContact CG-CD2 4.42Å; E69-Y91 HydrophobicContact CG-CE2 3.67Å; E69-Y91 WeakPolarHBondContact OE1-CE2 3.36Å; E69-Y91 PolarHBondContact OE1-OH 3Å; N87-Y91 HydrophobicContact CB-CE2 4.04Å; N87-Y91 WeakPolarHBondContact O-CD2 3.48Å; N87-Y91 PolarHBondContact O-N 3.12Å; Q89-Y91 PolarHBondContact O-N 2.79Å; Y91-Q94 PolarHBondContact O-N 2.86Å; Y91-A95 WeakPolarHBondContact O-CB 3.4Å; Y91-A95 PolarHBondContact O-N 3.13Å
92	K	98.5	Very high	98.4	Very high	82 Å²	82	58.9 Å²	58.9	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-65.2	-42.1	173.7	-76.2	176	179.5	175.7	0	111.9	F60 P67 T88 Q89 I90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.28Å; F60-K92 HydrophobicContact CZ-CG 4Å; P67-K92 WeakPolarHBondContact O-CE 3.21Å; P67-K92 PolarHBondContact O-NZ 3.27Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.22Å; T88-K92 PolarHBondContact O-N 2.78Å; T88-K92 VanDerWaalsContact O-N 3.11Å; Q89-K92 PolarHBondContact O-N 2.84Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 3.36Å; K92-A95 PolarHBondContact O-N 3.28Å; K92-Q96 PolarHBondContact O-N 2.73Å
93	A	98.6	Very high	98.3	Very high	57 Å²	57	58.7 Å²	58.7	47%	0.471	28%	0.284	S	S	.	.	H	α-helix	trans	-66.4	-41.9	175.3	0	0	0	0	0	111.4	Q89 I90 A95 Q96 T97	Q89-A93 WeakPolarHBondContact O-CB 3.38Å; Q89-A93 PolarHBondContact O-N 2.83Å; I90-A93 PolarHBondContact O-N 3.42Å; A93-A95 PolarHBondContact O-N 2.98Å; A93-Q96 PolarHBondContact O-N 2.03Å; A93-T97 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-OG1 2.88Å
94	Q	98.4	Very high	98.3	Very high	49 Å²	49	60.8 Å²	60.8	23%	0.229	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-42.6	175.8	-171.3	64.2	47.4	0	0	111.7	Y33 F46 I90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.73Å; Y33-Q94 HydrophobicContact CE2-CB 4.48Å; Y33-Q94 HydrophobicContact CE2-CG 3.61Å; F46-Q94 HydrophobicContact CE2-CB 4.23Å; F46-Q94 HydrophobicContact CE2-CG 3.69Å; F46-Q94 HydrophobicContact CZ-CB 4.11Å; F46-Q94 HydrophobicContact CZ-CG 3.89Å; I90-Q94 WeakPolarHBondContact O-CB 3.4Å; I90-Q94 PolarHBondContact O-N 3.35Å; Y91-Q94 PolarHBondContact O-N 2.86Å; Q94-Q96 PolarHBondContact O-N 2.83Å; Q94-T97 CarbonylContact O-C 3.55Å; Q94-T97 WeakPolarHBondContact O-CA 3.41Å; Q94-T97 WeakPolarHBondContact O-CB 3.44Å; Q94-T97 PolarHBondContact O-N 3.49Å; Q94-D98 PolarHBondContact NE2-OD1 3.34Å; Q94-D98 PolarHBondContact O-N 2.86Å
95	A	98.5	Very high	98.3	Very high	16 Å²	16	59.1 Å²	59.1	13%	0.132	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-36	176.5	0	0	0	0	0	112.7	F46 Y91 K92 A93 R99	F46-A95 HydrophobicContact CB-CB 3.65Å; F46-A95 HydrophobicContact CD1-CB 4.03Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CG-CB 3.66Å; Y91-A95 WeakPolarHBondContact O-CB 3.4Å; Y91-A95 PolarHBondContact O-N 3.13Å; K92-A95 PolarHBondContact O-N 3.28Å; A93-A95 PolarHBondContact O-N 2.98Å; A95-R99 WeakPolarHBondContact O-CB 3.44Å; A95-R99 PolarHBondContact O-N 3.19Å; A95-R99 VanDerWaalsContact O-N 3.09Å
96	Q	98.3	Very high	98.3	Very high	112 Å²	112	58.1 Å²	58.1	52%	0.523	28%	0.28	S	S	.	.	H	α-helix	trans	-71.1	-39.5	173.1	-61.8	-50.6	-52.4	0	0	112.1	K92 A93 Q94 R99 E100	K92-Q96 PolarHBondContact O-N 2.73Å; A93-Q96 PolarHBondContact O-N 2.03Å; Q94-Q96 PolarHBondContact O-N 2.83Å; Q96-R99 WeakPolarHBondContact O-CB 3.31Å; Q96-R99 PolarHBondContact O-N 2.92Å; Q96-E100 PolarHBondContact O-N 3.3Å
97	T	98.3	Very high	98.3	Very high	71 Å²	71	54.9 Å²	54.9	44%	0.436	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-44	176.6	-57	0	0	0	0	111.5	A93 Q94 R99 E100 S101	A93-T97 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-OG1 2.88Å; Q94-T97 CarbonylContact O-C 3.55Å; Q94-T97 WeakPolarHBondContact O-CA 3.41Å; Q94-T97 WeakPolarHBondContact O-CB 3.44Å; Q94-T97 PolarHBondContact O-N 3.49Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.31Å; T97-E100 PolarHBondContact O-N 3.3Å; T97-S101 WeakPolarHBondContact O-CB 3.36Å; T97-S101 PolarHBondContact O-N 3.44Å; T97-S101 PolarHBondContact O-OG 2.62Å
98	D	98.4	Very high	98.3	Very high	3 Å²	3	57 Å²	57	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-37.6	176.6	-80.8	19.6	0	0	0	111.7	S35 F46 Q94 E100 S101 L102 L119	S35-D98 WeakPolarHBondContact CB-OD2 3.3Å; S35-D98 WeakPolarHBondContact OG-CB 3.41Å; S35-D98 PolarHBondContact OG-OD2 2.92Å; F46-D98 HydrophobicContact CD2-CB 4.47Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.44Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.34Å; Q94-D98 PolarHBondContact NE2-OD1 3.34Å; Q94-D98 PolarHBondContact O-N 2.86Å; D98-E100 VanDerWaalsContact C-N 3.35Å; D98-E100 PolarHBondContact O-N 3.25Å; D98-S101 PolarHBondContact O-N 3.49Å; D98-L102 WeakPolarHBondContact O-CB 3.19Å; D98-L102 WeakPolarHBondContact O-CG 3.21Å; D98-L102 PolarHBondContact O-N 3.16Å; D98-L119 HydrophobicContact CB-CD2 4.24Å
99	R	98.2	Very high	98.2	Very high	76 Å²	76	60 Å²	60	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-59.9	-45.5	173.9	174.8	-170.7	175.9	175.6	10.2	111.4	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 2.73Å; E43-R99 IonicContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH1 3.85Å; E43-R99 PolarHBondContact OE1-NH1 3.1Å; E43-R99 IonicContact OE1-NH2 3.87Å; E43-R99 PolarHBondContact OE1-NH2 3.32Å; E43-R99 WeakPolarHBondContact OE2-CD 3.23Å; E43-R99 IonicContact OE2-CZ 3.56Å; E43-R99 IonicContact OE2-NE 3.9Å; E43-R99 PolarHBondContact OE2-NE 3.13Å; E43-R99 IonicContact OE2-NH1 3.49Å; E43-R99 PolarHBondContact OE2-NH1 2.91Å; E43-R99 IonicContact OE2-NH2 3.59Å; E43-R99 PolarHBondContact OE2-NH2 2.78Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.19Å; A95-R99 WeakPolarHBondContact O-CB 3.44Å; A95-R99 PolarHBondContact O-N 3.19Å; A95-R99 VanDerWaalsContact O-N 3.09Å; Q96-R99 WeakPolarHBondContact O-CB 3.31Å; Q96-R99 PolarHBondContact O-N 2.92Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.31Å; R99-R103 PolarHBondContact O-N 2.91Å
100	E	98.1	Very high	98.2	Very high	114 Å²	114	61.6 Å²	61.6	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-42.3	175.4	-172.8	176.8	168.6	0	0	111.2	Q96 T97 D98 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.3Å; T97-E100 PolarHBondContact O-N 3.3Å; D98-E100 VanDerWaalsContact C-N 3.35Å; D98-E100 PolarHBondContact O-N 3.25Å; E100-L102 PolarHBondContact O-N 3.03Å; E100-R103 WeakPolarHBondContact O-CB 3.06Å; E100-R103 PolarHBondContact O-N 3.43Å; E100-R103 VanDerWaalsContact O-N 3.09Å; E100-N104 PolarHBondContact O-N 3.38Å
101	S	98.4	Very high	98.2	Very high	38 Å²	38	60.6 Å²	60.6	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-44.5	177.6	-61	0	0	0	0	111.8	T97 D98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.36Å; T97-S101 PolarHBondContact O-N 3.44Å; T97-S101 PolarHBondContact O-OG 2.62Å; D98-S101 PolarHBondContact O-N 3.49Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.92Å; S101-N104 PolarHBondContact O-N 2.84Å; S101-N104 VanDerWaalsContact O-N 3.16Å; S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 WeakPolarHBondContact O-CD1 3.44Å; S101-L105 WeakPolarHBondContact O-CG 3.3Å; S101-L105 PolarHBondContact O-N 2.88Å
102	L	98.5	Very high	98	Very high	9 Å²	9	64.3 Å²	64.3	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-58.6	-38.3	174.2	-77.9	168.6	0	0	0	112.4	P44 D98 E100 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.84Å; D98-L102 WeakPolarHBondContact O-CB 3.19Å; D98-L102 WeakPolarHBondContact O-CG 3.21Å; D98-L102 PolarHBondContact O-N 3.16Å; E100-L102 PolarHBondContact O-N 3.03Å; L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 2.75Å; L102-R106 VanDerWaalsContact O-N 3.12Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.72Å; L102-L119 HydrophobicContact CG-CB 4.11Å; L102-Y142 HydrophobicContact CD2-CE2 3.97Å
103	R	97.6	Very high	97.8	Very high	139 Å²	139	66.7 Å²	66.7	53%	0.525	35%	0.345	S	S	.	.	H	α-helix	trans	-67.3	-44	175.3	-174.8	-172.6	-66.4	151.5	-1	111.4	R99 E100 S101 G107	R99-R103 PolarHBondContact O-N 2.91Å; E100-R103 WeakPolarHBondContact O-CB 3.06Å; E100-R103 PolarHBondContact O-N 3.43Å; E100-R103 VanDerWaalsContact O-N 3.09Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.92Å; R103-G107 PolarHBondContact O-N 3.16Å
104	N	97.9	Very high	97.6	Very high	56 Å²	56	68 Å²	68	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-47.8	179.4	-70.9	-22.9	0	0	0	111.4	E100 S101 R106 G107 Y108	E100-N104 PolarHBondContact O-N 3.38Å; S101-N104 PolarHBondContact O-N 2.84Å; S101-N104 VanDerWaalsContact O-N 3.16Å; N104-R106 PolarHBondContact O-N 2.95Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.3Å; N104-G107 PolarHBondContact O-N 3Å; N104-G107 VanDerWaalsContact O-N 3.07Å; N104-Y108 HydrophobicContact CB-CE2 4.42Å; N104-Y108 WeakPolarHBondContact O-CD1 3.49Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 2.9Å
105	L	98.3	Very high	97.4	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-58.3	-49.3	178.4	-71.7	163.6	0	0	0	111.1	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 WeakPolarHBondContact O-CD1 3.44Å; S101-L105 WeakPolarHBondContact O-CG 3.3Å; S101-L105 PolarHBondContact O-N 2.88Å; L105-G107 PolarHBondContact O-N 2.96Å; L105-Y108 PolarHBondContact O-N 3.28Å; L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.35Å; L105-Y109 PolarHBondContact O-N 3.45Å; L105-L119 HydrophobicContact CD1-CD1 3.93Å; L105-L119 HydrophobicContact CD1-CD2 4.31Å; L105-Y142 HydrophobicContact CB-CD1 4.35Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CD2-CG 4.41Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD1 4.38Å; L105-Y147 HydrophobicContact CD2-CD2 3.95Å; L105-Y147 HydrophobicContact CD2-CE1 3.85Å; L105-Y147 HydrophobicContact CD2-CE2 3.34Å; L105-Y147 HydrophobicContact CD2-CG 4.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.45Å
106	R	97.6	Very high	97.4	Very high	60 Å²	60	69.4 Å²	69.4	23%	0.226	37%	0.374	C	S	.	.	H	α-helix	trans	-53.5	-41	174.6	-174.3	-172.4	66.1	177.7	10.6	112	L102 N104 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 2.75Å; L102-R106 VanDerWaalsContact O-N 3.12Å; N104-R106 PolarHBondContact O-N 2.95Å; R106-N110 PolarHBondContact O-N 2.91Å; R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 PolarHBondContact O-N 3.23Å; R106-E113 IonicContact CZ-OE1 2.63Å; R106-E113 IonicContact NH1-OE1 3.59Å; R106-E113 IonicContact NH2-OE1 3.32Å; R106-E113 PolarHBondContact NH2-OE1 3.44Å
107	G	97.6	Very high	97.4	Very high	43 Å²	43	64.9 Å²	64.9	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-47.6	175.1	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.16Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.3Å; N104-G107 PolarHBondContact O-N 3Å; N104-G107 VanDerWaalsContact O-N 3.07Å; L105-G107 PolarHBondContact O-N 2.96Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.4Å; G107-N110 PolarHBondContact O-N 2.97Å; G107-N110 VanDerWaalsContact O-N 3.1Å
108	Y	98.1	Very high	97.4	Very high	57 Å²	57	63.3 Å²	63.3	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-36.8	179.5	-61.4	-18.1	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.42Å; N104-Y108 WeakPolarHBondContact O-CD1 3.49Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 2.9Å; L105-Y108 PolarHBondContact O-N 3.28Å; Y108-I166 HydrophobicContact CD1-CD1 4.05Å; Y108-I166 HydrophobicContact CD2-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CD1 4.35Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.27Å; Y108-I166 HydrophobicContact CE2-CG2 4.14Å; Y108-I166 HydrophobicContact CG-CD1 4.14Å; Y108-K170 PolarHBondContact OH-NZ 3.39Å
109	Y	98.1	Very high	97.5	Very high	67 Å²	67	63.5 Å²	63.5	26%	0.263	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	3.7	178.2	-69.3	-70.9	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.35Å; L105-Y109 PolarHBondContact O-N 3.45Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.4Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CG-CE1 4.45Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.48Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.16Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.62Å; Y109-D161 PolarHBondContact OH-OD2 3.32Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	97.3	Very high	97.5	Very high	152 Å²	152	63.6 Å²	63.6	81%	0.813	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	39.6	-177.9	-57	-64.6	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 2.91Å; G107-N110 PolarHBondContact O-N 2.97Å; G107-N110 VanDerWaalsContact O-N 3.1Å
111	Q	97.7	Very high	97.5	Very high	60 Å²	60	58.9 Å²	58.9	28%	0.28	33%	0.328	S	S	.	.			trans	-88.1	153.3	-176	-70.8	166.3	-32.6	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 PolarHBondContact O-N 3.23Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Q111-H117 PolarHBondContact NE2-CE1 3.49Å; Q111-H117 PolarHBondContact OE1-CE1 3.02Å; Q111-Y142 PolarHBondContact OE1-OH 3.01Å; Q111-D143 PolarHBondContact NE2-OD2 2.82Å
112	S	96.1	Very high	97.5	Very high	83 Å²	83	58.1 Å²	58.1	58%	0.58	32%	0.32	S	S	*	.			trans	-68.5	146.5	179.3	176.4	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.03Å; S112-A114 PolarHBondContact OG-N 3.15Å; S112-G115 PolarHBondContact O-N 3.44Å
113	E	93.8	Very high	97.5	Very high	133 Å²	133	59.4 Å²	59.4	62%	0.621	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.3	175.2	-55.4	-154.3	127.7	0	0	114	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 WeakPolarHBondContact CG-O 3.33Å; R106-E113 IonicContact CZ-OE1 2.63Å; R106-E113 IonicContact NH1-OE1 3.59Å; R106-E113 IonicContact NH2-OE1 3.32Å; R106-E113 PolarHBondContact NH2-OE1 3.44Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	94.3	Very high	97.6	Very high	83 Å²	83	52.8 Å²	52.8	69%	0.686	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.3	178.5	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 3.03Å; S112-A114 PolarHBondContact OG-N 3.15Å
115	G	94.9	Very high	97.6	Very high	26 Å²	26	50.1 Å²	50.1	27%	0.268	29%	0.285	S	S	.	.			trans	-74.6	135.8	-179.4	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.32Å; S112-G115 PolarHBondContact O-N 3.44Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.22Å; G115-H117 VanDerWaalsContact O-CD2 3.27Å
116	S	97.8	Very high	97.6	Very high	69 Å²	69	51.2 Å²	51.2	48%	0.483	29%	0.291	S	S	.	.			trans	-83.3	135.3	164.3	-179.9	0	0	0	0	108.5	S37	S37-S116 WeakPolarHBondContact O-CB 3.4Å; S37-S116 PolarHBondContact O-OG 3.14Å
117	H	98.5	Very high	97.6	Very high	17 Å²	17	48.4 Å²	48.4	8%	0.079	28%	0.281	C	S	.	.			trans	-134.2	151.6	-175.6	-64.5	-74.9	0	0	0	110.2	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.61Å; S37-H117 PolarHBondContact OG-N 3.27Å; S37-H117 PolarHBondContact OG-O 3.15Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; Q111-H117 PolarHBondContact NE2-CE1 3.49Å; Q111-H117 PolarHBondContact OE1-CE1 3.02Å; G115-H117 PolarHBondContact O-CD2 3.22Å; G115-H117 VanDerWaalsContact O-CD2 3.27Å; H117-Y142 HydrophobicContact CB-CE2 3.81Å; H117-Y142 WeakPolarHBondContact CB-OH 3.21Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.97Å; H117-D143 WeakPolarHBondContact CA-OD1 3.15Å; H117-D143 WeakPolarHBondContact CB-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.66Å; H117-D143 IonicContact CG-OD1 3.79Å; H117-D143 IonicContact CG-OD2 3.41Å; H117-D143 IonicContact ND1-OD1 2.83Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.83Å
118	T	98.8	Very high	97.5	Very high	38 Å²	38	46.6 Å²	46.6	23%	0.233	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.1	-176.2	-57	0	0	0	0	110.2	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.07Å; S35-T118 CarbonylContact O-C 3.59Å; S35-T118 WeakPolarHBondContact O-CA 3.39Å; V36-T118 HydrophobicContact CG2-CG2 4.22Å; T118-Q120 HydrophobicContact CG2-CG 3.84Å; T118-Y142 CarbonylContact O-C 3.51Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.39Å; T118-D143 PolarHBondContact N-OD1 2.91Å; T118-D143 PolarHBondContact O-N 3.38Å
119	L	98.9	Very high	97.2	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.3	168.4	174.4	62.1	0	0	0	108.1	T34 S35 D98 L102 L105	T34-L119 WeakPolarHBondContact CA-O 3.31Å; S35-L119 PolarHBondContact N-O 3.04Å; S35-L119 PolarHBondContact O-N 3.19Å; D98-L119 HydrophobicContact CB-CD2 4.24Å; L102-L119 HydrophobicContact CD2-CB 3.72Å; L102-L119 HydrophobicContact CG-CB 4.11Å; L105-L119 HydrophobicContact CD1-CD1 3.93Å; L105-L119 HydrophobicContact CD1-CD2 4.31Å
120	Q	98.8	Very high	96.9	Very high	78 Å²	78	50.2 Å²	50.2	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.8	176.8	-59.4	176	-94.2	0	0	109.1	Y33 T34 T118 S140 A141	Y33-Q120 VanDerWaalsContact O-CA 3.3Å; Y33-Q120 WeakPolarHBondContact O-CA 3.46Å; T34-Q120 HydrophobicContact CG2-CG 4.23Å; T118-Q120 HydrophobicContact CG2-CG 3.84Å; Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.49Å; Q120-A141 HydrophobicContact CB-CB 4.43Å; Q120-A141 PolarHBondContact N-O 3.33Å; Q120-A141 PolarHBondContact O-N 3.1Å
121	S	98.6	Very high	96.6	Very high	15 Å²	15	43.6 Å²	43.6	11%	0.105	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.5	172.5	-59.5	0	0	0	0	109.9	F32 Y33 Q139 S140	F32-S121 WeakPolarHBondContact CA-O 3.41Å; Y33-S121 PolarHBondContact N-O 3.27Å; Y33-S121 PolarHBondContact O-N 3.27Å; S121-Q139 CarbonylContact C-O 3.52Å; S121-Q139 VanDerWaalsContact CA-O 3.31Å; S121-Q139 WeakPolarHBondContact CA-O 3.5Å; S121-S140 PolarHBondContact OG-OG 3.06Å; S121-S140 VanDerWaalsContact OG-OG 3.04Å
122	M	98.7	Very high	96.5	Very high	21 Å²	21	49 Å²	49	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.1	172	-174.4	-78	-69.3	0	0	108.2	Y31 F32 H137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.39Å; F32-M122 HydrophobicContact CD1-CB 4.03Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.21Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.46Å; F32-M122 HydrophobicContact CZ-CG 4.05Å; M122-H137 HydrophobicContact CE-CB 3.93Å; M122-H137 HydrophobicContact SD-CB 4.11Å; M122-D138 WeakPolarHBondContact O-CA 3.37Å; M122-Q139 HydrophobicContact CB-CG 4.18Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.87Å; M122-Q139 PolarHBondContact O-N 3.29Å
123	Y	98.6	Very high	96.6	Very high	36 Å²	36	47.5 Å²	47.5	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.3	172.6	70.4	-88	0	0	0	110.5	Y31 Y33 H137 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 WeakPolarHBondContact CB-OH 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.41Å; Y31-Y123 AromaticContact CD2-CE2 3.56Å; Y31-Y123 HydrophobicContact CD2-CE2 3.56Å; Y31-Y123 AromaticContact CD2-CZ 3.68Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.26Å; Y31-Y123 HydrophobicContact CE2-CE2 4.35Å; Y31-Y123 HydrophobicContact CG-CE1 4.35Å; Y31-Y123 HydrophobicContact CG-CE2 4.08Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.45Å; Y31-Y123 PolarHBondContact O-N 3.43Å; Y33-Y123 HydrophobicContact CD2-CE1 4.29Å; Y33-Y123 AromaticContact CE1-CE1 3.89Å; Y33-Y123 HydrophobicContact CE1-CE1 3.89Å; Y33-Y123 AromaticContact CE2-CE1 3.61Å; Y33-Y123 HydrophobicContact CE2-CE1 3.61Å; Y33-Y123 AromaticContact CZ-CE1 3.41Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.41Å; Y33-Y123 AromaticContact CZ-CZ 3.86Å; Y33-Y123 PolarHBondContact OH-OH 2.81Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.45Å; Y123-H137 VanDerWaalsContact CB-O 3.24Å; Y123-H137 WeakPolarHBondContact CB-O 3.19Å; Y123-Y183 AromaticContact CD2-CE1 3.8Å; Y123-Y183 HydrophobicContact CD2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CE1 3.69Å; Y123-Y183 HydrophobicContact CE2-CE1 3.69Å; Y123-Y183 AromaticContact CE2-CZ 3.95Å
124	G	98.6	Very high	96.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.3	-177.5	-179	0	0	0	0	0	113.8	M29 G136 H137 L184	M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.25Å; G124-G136 CarbonylContact O-C 3.5Å; G124-H137 PolarHBondContact N-O 3.3Å; G124-H137 PolarHBondContact O-N 2.88Å; G124-L184 VanDerWaalsContact O-CD2 3.24Å; G124-L184 WeakPolarHBondContact O-CD2 3.36Å
125	C	98.7	Very high	96.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.8	-174.3	51.4	0	0	0	0	110.9	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.4Å; M29-C125 PolarHBondContact N-O 3.18Å; M29-C125 PolarHBondContact O-N 3.5Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 3.07Å; C125-C188 WeakPolarHBondContact SG-CB 2.98Å; C125-C188 PolarHBondContact SG-O 3.41Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.03Å; C125-V189 HydrophobicContact CB-CG2 4.38Å
126	D	98.3	Very high	97	Very high	30 Å²	30	46.8 Å²	46.8	16%	0.16	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.5	171.5	-53.4	-27.8	0	0	0	108.2	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.51Å; H27-D126 WeakPolarHBondContact O-CA 3.24Å; S28-D126 WeakPolarHBondContact CB-OD1 3.39Å; R30-D126 IonicContact CZ-OD1 2.79Å; R30-D126 IonicContact NE-OD1 3.94Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 2.83Å; R30-D126 PolarHBondContact NH2-OD1 2.95Å; R30-D126 IonicContact NH2-OD2 3.71Å; R30-D126 PolarHBondContact NH2-OD2 3.42Å; R30-D126 VanDerWaalsContact NH2-OD2 3.11Å; D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 3.32Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 3.37Å; D126-R135 PolarHBondContact O-N 2.84Å; D126-H137 IonicContact OD1-NE2 2.66Å; D126-H137 IonicContact OD2-CD2 3.72Å; D126-H137 IonicContact OD2-CE1 3.73Å; D126-H137 IonicContact OD2-NE2 3.8Å; D126-H137 PolarHBondContact OD2-NE2 2.93Å
127	V	97.5	Very high	97.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.8	179	-60.6	0	0	0	0	111.1	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.49Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.36Å; S26-V127 WeakPolarHBondContact CB-O 3.25Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 2.84Å; H27-V127 PolarHBondContact O-N 2.98Å; V127-R132 CarbonylContact C-O 3.42Å; V127-R132 WeakPolarHBondContact CA-O 3.28Å; V127-R132 WeakPolarHBondContact CB-O 3.43Å; V127-V189 HydrophobicContact CG1-CB 4.44Å; V127-V189 HydrophobicContact CG1-CG1 4.02Å; V127-V189 HydrophobicContact CG1-CG2 4Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	95	Very high	97.1	Very high	4 Å²	4	44.3 Å²	44.3	4%	0.041	22%	0.222	C	C	.	.			trans	-80.1	-179.4	173.5	0	0	0	0	0	112.4	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.56Å; G128-D130 PolarHBondContact O-N 2.64Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.13Å; G128-G131 PolarHBondContact O-N 3.46Å; G128-R132 PolarHBondContact N-O 2.97Å
129	P	91.9	Very high	97.1	Very high	105 Å²	105	46.2 Å²	46.2	68%	0.682	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.8	177.4	-22	31.6	0	0	0	114.1	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.12Å; G25-P129 WeakPolarHBondContact O-CA 3.22Å; G25-P129 WeakPolarHBondContact O-CG 3.47Å; G25-P129 VanDerWaalsContact O-N 3.15Å; P129-G131 PolarHBondContact O-N 3.28Å
130	D	91.6	Very high	97.1	Very high	95 Å²	95	46.6 Å²	46.6	51%	0.508	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.5	173.8	70.3	-10.9	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.64Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.48Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å; D130-R132 PolarHBondContact OD1-N 2.99Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 WeakPolarHBondContact OD2-CG 3.3Å; D130-R132 IonicContact OD2-CZ 3.32Å; D130-R132 IonicContact OD2-NE 3.92Å; D130-R132 PolarHBondContact OD2-NE 2.76Å; D130-R132 IonicContact OD2-NH1 3.39Å
131	G	92.3	Very high	97.1	Very high	13 Å²	13	43.7 Å²	43.7	13%	0.134	22%	0.221	C	C	.	.	S	Bend	trans	72.5	4.1	-177.9	0	0	0	0	0	114.2	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.13Å; G128-G131 PolarHBondContact O-N 3.46Å; P129-G131 PolarHBondContact O-N 3.28Å; G131-V189 WeakPolarHBondContact O-CG1 3.47Å; G131-R193 VanDerWaalsContact C-NH2 3.26Å; G131-R193 PolarHBondContact O-NE 2.7Å; G131-R193 PolarHBondContact O-NH2 3.17Å
132	R	95.5	Very high	97.1	Very high	173 Å²	173	43.5 Å²	43.5	65%	0.653	22%	0.218	S	C	*	.			trans	-79.4	149.1	-179.2	-64.1	-174.8	-176.2	163.7	-2.1	111.2	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.42Å; V127-R132 WeakPolarHBondContact CA-O 3.28Å; V127-R132 WeakPolarHBondContact CB-O 3.43Å; G128-R132 PolarHBondContact N-O 2.97Å; D130-R132 PolarHBondContact O-N 3.48Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å; D130-R132 PolarHBondContact OD1-N 2.99Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 WeakPolarHBondContact OD2-CG 3.3Å; D130-R132 IonicContact OD2-CZ 3.32Å; D130-R132 IonicContact OD2-NE 3.92Å; D130-R132 PolarHBondContact OD2-NE 2.76Å; D130-R132 IonicContact OD2-NH1 3.39Å; R132-L134 PolarHBondContact O-N 3.31Å
133	L	97.5	Very high	97.1	Very high	52 Å²	52	45.4 Å²	45.4	27%	0.272	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	124.1	175.5	-174.5	71.9	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 4.16Å; L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.85Å; L133-V189 HydrophobicContact CG-CG2 4.5Å
134	L	97.2	Very high	97	Very high	117 Å²	117	46.5 Å²	46.5	61%	0.613	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	-44.1	167.8	-64.4	178.2	0	0	0	110.7	D126 R132	D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 3.32Å; R132-L134 PolarHBondContact O-N 3.31Å
135	R	97.2	Very high	97	Very high	106 Å²	106	54.1 Å²	54.1	40%	0.4	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	138.3	-175.3	-172	172.9	177.1	135.5	8.7	111.5	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 3.37Å; D126-R135 PolarHBondContact O-N 2.84Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; R135-H137 WeakPolarHBondContact CD-CE1 3.18Å; R135-H137 PolarHBondContact NE-CE1 3.03Å; R135-E152 IonicContact CZ-OE1 3.85Å; R135-E152 IonicContact NH1-OE1 3.48Å; R135-E152 PolarHBondContact NH1-OE1 2.87Å; R135-E152 IonicContact NH2-OE1 2.7Å; R135-E152 PolarHBondContact NH2-OE1 2.78Å
136	G	98.1	Very high	97	Very high	5 Å²	5	60.1 Å²	60.1	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.1	167.6	0	0	0	0	0	110.9	G124	G124-G136 CarbonylContact O-C 3.5Å
137	H	98.3	Very high	97	Very high	21 Å²	21	59.1 Å²	59.1	10%	0.097	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.6	179.1	-53.7	-96.7	0	0	0	109.4	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.17Å; R30-H137 VanDerWaalsContact NH2-NE2 3.15Å; M122-H137 HydrophobicContact CE-CB 3.93Å; M122-H137 HydrophobicContact SD-CB 4.11Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.45Å; Y123-H137 VanDerWaalsContact CB-O 3.24Å; Y123-H137 WeakPolarHBondContact CB-O 3.19Å; G124-H137 PolarHBondContact N-O 3.3Å; G124-H137 PolarHBondContact O-N 2.88Å; D126-H137 IonicContact OD1-NE2 2.66Å; D126-H137 IonicContact OD2-CD2 3.72Å; D126-H137 IonicContact OD2-CE1 3.73Å; D126-H137 IonicContact OD2-NE2 3.8Å; D126-H137 PolarHBondContact OD2-NE2 2.93Å; R135-H137 WeakPolarHBondContact CD-CE1 3.18Å; R135-H137 PolarHBondContact NE-CE1 3.03Å
138	D	98.5	Very high	97.1	Very high	12 Å²	12	59.3 Å²	59.3	6%	0.064	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	110.5	163.2	-174.9	-6.8	0	0	0	107.6	M122 L150 R180	M122-D138 WeakPolarHBondContact O-CA 3.37Å; D138-L150 HydrophobicContact CB-CB 4.02Å; D138-L150 HydrophobicContact CB-CD2 4.16Å; D138-L150 WeakPolarHBondContact O-CB 3.31Å; D138-L150 PolarHBondContact O-N 2.83Å; D138-R180 WeakPolarHBondContact OD2-CD 3.43Å; D138-R180 WeakPolarHBondContact OD2-CG 3.48Å; D138-R180 IonicContact OD2-NE 2.88Å; D138-R180 PolarHBondContact OD2-NE 3.24Å
139	Q	98.6	Very high	97.3	Very high	79 Å²	79	60.5 Å²	60.5	37%	0.369	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.9	-176.7	64.1	-171.3	35.5	0	0	111.4	S121 M122 I148 A149	S121-Q139 CarbonylContact C-O 3.52Å; S121-Q139 VanDerWaalsContact CA-O 3.31Å; S121-Q139 WeakPolarHBondContact CA-O 3.5Å; M122-Q139 HydrophobicContact CB-CG 4.18Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.87Å; M122-Q139 PolarHBondContact O-N 3.29Å; Q139-I148 WeakPolarHBondContact CA-O 3.36Å; Q139-A149 HydrophobicContact CB-CB 3.84Å
140	S	98.6	Very high	97.6	Very high	15 Å²	15	56.1 Å²	56.1	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.1	176.9	-60.6	0	0	0	0	111.6	Q120 S121 Y147 I148	Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.49Å; S121-S140 PolarHBondContact OG-OG 3.06Å; S121-S140 VanDerWaalsContact OG-OG 3.04Å; S140-Y147 WeakPolarHBondContact O-CB 3.22Å; S140-Y147 PolarHBondContact O-N 3.17Å; S140-I148 PolarHBondContact N-O 3.21Å; S140-I148 PolarHBondContact O-N 3.18Å
141	A	98.8	Very high	97.9	Very high	17 Å²	17	53.7 Å²	53.7	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.6	174.8	0	0	0	0	0	110.5	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.43Å; Q120-A141 PolarHBondContact N-O 3.33Å; Q120-A141 PolarHBondContact O-N 3.1Å; A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.39Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.49Å
142	Y	98.8	Very high	98.2	Very high	11 Å²	11	59.6 Å²	59.6	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.1	177.5	-174.5	-120.6	0	0	0	110.4	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 3.97Å; L105-Y142 HydrophobicContact CB-CD1 4.35Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CD2-CG 4.41Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CG-CE1 4.45Å; Q111-Y142 PolarHBondContact OE1-OH 3.01Å; H117-Y142 HydrophobicContact CB-CE2 3.81Å; H117-Y142 WeakPolarHBondContact CB-OH 3.21Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.97Å; T118-Y142 CarbonylContact O-C 3.51Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.39Å; Y142-G144 PolarHBondContact O-N 2.83Å; Y142-K145 PolarHBondContact N-O 2.99Å; Y142-K145 PolarHBondContact O-N 3.16Å
143	D	98.4	Very high	98.3	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.332	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.2	-174.8	-66.7	-21.9	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.82Å; H117-D143 WeakPolarHBondContact CA-OD1 3.15Å; H117-D143 WeakPolarHBondContact CB-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.66Å; H117-D143 IonicContact CG-OD1 3.79Å; H117-D143 IonicContact CG-OD2 3.41Å; H117-D143 IonicContact ND1-OD1 2.83Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.83Å; T118-D143 PolarHBondContact N-OD1 2.91Å; T118-D143 PolarHBondContact O-N 3.38Å; D143-K145 VanDerWaalsContact C-N 3.34Å; D143-K145 PolarHBondContact O-N 3.3Å
144	G	97.6	Very high	98.3	Very high	58 Å²	58	53.1 Å²	53.1	60%	0.598	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	10.3	177.6	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 2.83Å
145	K	98.6	Very high	98.3	Very high	161 Å²	161	50.9 Å²	50.9	70%	0.7	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.2	176.2	-61.9	179.4	-177.1	176.9	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.39Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.49Å; Y142-K145 PolarHBondContact N-O 2.99Å; Y142-K145 PolarHBondContact O-N 3.16Å; D143-K145 VanDerWaalsContact C-N 3.34Å; D143-K145 PolarHBondContact O-N 3.3Å; K145-Y147 PolarHBondContact O-N 2.92Å
146	D	98.7	Very high	98.3	Very high	126 Å²	126	47.6 Å²	47.6	67%	0.674	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.2	134.8	174	-63.1	-37.5	0	0	0	110.5	A160	D146-A160 WeakPolarHBondContact O-CB 3.42Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	48 Å²	48	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-61.4	-179.7	178.6	-106.5	0	0	0	110.4	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.38Å; L105-Y147 HydrophobicContact CD2-CD2 3.95Å; L105-Y147 HydrophobicContact CD2-CE1 3.85Å; L105-Y147 HydrophobicContact CD2-CE2 3.34Å; L105-Y147 HydrophobicContact CD2-CG 4.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.45Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.48Å; S140-Y147 WeakPolarHBondContact O-CB 3.22Å; S140-Y147 PolarHBondContact O-N 3.17Å; K145-Y147 PolarHBondContact O-N 2.92Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.08Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.64Å; Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 VanDerWaalsContact CZ-CA 3.5Å; Y147-A164 WeakPolarHBondContact O-CB 3.2Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.43Å
148	I	98.8	Very high	98.4	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.3	179.6	-160.9	170.7	0	0	0	110.1	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.36Å; S140-I148 PolarHBondContact N-O 3.21Å; S140-I148 PolarHBondContact O-N 3.18Å; I148-W157 HydrophobicContact CD1-CB 4.32Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T167 HydrophobicContact CD1-CG2 4Å; I148-Q168 HydrophobicContact CD1-CB 3.98Å; I148-W171 HydrophobicContact CD1-CE3 3.99Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.68Å
149	A	98.8	Very high	98.4	Very high	28 Å²	28	51.2 Å²	51.2	23%	0.231	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.5	177.9	0	0	0	0	0	111.4	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.84Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; A149-T158 PolarHBondContact N-O 2.6Å; A149-T158 PolarHBondContact O-N 2.84Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.6	168	-175.5	64.4	0	0	0	108.4	D138 L154 W157 A177 R180 L184	D138-L150 HydrophobicContact CB-CB 4.02Å; D138-L150 HydrophobicContact CB-CD2 4.16Å; D138-L150 WeakPolarHBondContact O-CB 3.31Å; D138-L150 PolarHBondContact O-N 2.83Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.95Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	52.1 Å²	52.1	24%	0.235	31%	0.307	C	S	.	.			trans	-71.7	163	-179.7	-67.8	-30.3	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3Å; N151-L154 PolarHBondContact O-N 3.27Å; N151-S156 WeakPolarHBondContact CB-O 3.41Å; N151-S156 WeakPolarHBondContact CB-OG 3.34Å; N151-S156 PolarHBondContact N-O 3.4Å; N151-S156 PolarHBondContact ND2-O 3.2Å; N151-S156 PolarHBondContact ND2-OG 2.86Å; N151-T158 PolarHBondContact ND2-OG1 3.28Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-OG1 3.34Å
152	E	97.5	Very high	98.3	Very high	136 Å²	136	56.5 Å²	56.5	64%	0.636	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.3	-179.8	-66.6	-180	-173.5	0	0	113.5	R135 L154	R135-E152 IonicContact CZ-OE1 3.85Å; R135-E152 IonicContact NH1-OE1 3.48Å; R135-E152 PolarHBondContact NH1-OE1 2.87Å; R135-E152 IonicContact NH2-OE1 2.7Å; R135-E152 PolarHBondContact NH2-OE1 2.78Å; E152-L154 PolarHBondContact O-N 2.82Å
153	D	97.4	Very high	98.3	Very high	79 Å²	79	56.2 Å²	56.2	42%	0.422	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.3	174.4	68.8	22.2	0	0	0	114.1	N151 S155 S156	N151-D153 PolarHBondContact O-N 3Å; D153-S155 PolarHBondContact O-N 2.84Å; D153-S155 VanDerWaalsContact O-N 3.17Å; D153-S155 WeakPolarHBondContact OD1-CA 3.39Å; D153-S155 PolarHBondContact OD1-N 2.85Å; D153-S155 PolarHBondContact OD1-OG 3.03Å; D153-S155 PolarHBondContact OD2-OG 3.27Å; D153-S156 VanDerWaalsContact CG-OG 3.28Å; D153-S156 PolarHBondContact OD1-N 3.26Å; D153-S156 PolarHBondContact OD1-OG 2.84Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
154	L	97.9	Very high	98.3	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.052	32%	0.316	C	S	.	.	S	Bend	trans	52.7	30.6	-176.9	-53	-178.5	0	0	0	113.8	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.16Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; N151-L154 PolarHBondContact O-N 3.27Å; E152-L154 PolarHBondContact O-N 2.82Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.94Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L154-E185 HydrophobicContact CD1-CG 4.16Å
155	S	97.6	Very high	98.4	Very high	70 Å²	70	54 Å²	54	49%	0.49	30%	0.304	S	S	.	.	S	Bend	trans	-140.7	-25.1	-175.2	69.6	0	0	0	0	113.7	D153	D153-S155 PolarHBondContact O-N 2.84Å; D153-S155 VanDerWaalsContact O-N 3.17Å; D153-S155 WeakPolarHBondContact OD1-CA 3.39Å; D153-S155 PolarHBondContact OD1-N 2.85Å; D153-S155 PolarHBondContact OD1-OG 3.03Å; D153-S155 PolarHBondContact OD2-OG 3.27Å
156	S	97.9	Very high	98.4	Very high	38 Å²	38	49.1 Å²	49.1	27%	0.266	29%	0.285	S	S	.	.			trans	-121.1	160.3	-178.6	69.2	0	0	0	0	112.1	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.41Å; N151-S156 WeakPolarHBondContact CB-OG 3.34Å; N151-S156 PolarHBondContact N-O 3.4Å; N151-S156 PolarHBondContact ND2-O 3.2Å; N151-S156 PolarHBondContact ND2-OG 2.86Å; D153-S156 VanDerWaalsContact CG-OG 3.28Å; D153-S156 PolarHBondContact OD1-N 3.26Å; D153-S156 PolarHBondContact OD1-OG 2.84Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
157	W	98.7	Very high	98.3	Very high	12 Å²	12	43.9 Å²	43.9	5%	0.045	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.2	-176.7	-60.3	92.6	0	0	0	111.4	I148 A149 L150 Q168 W171 E176 A177 R180	I148-W157 HydrophobicContact CD1-CB 4.32Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.19Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.95Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; W157-Q168 HydrophobicContact CB-CG 4.13Å; W157-Q168 PolarHBondContact O-NE2 3.33Å; W157-W171 AromaticContact CD2-CE3 3.89Å; W157-W171 HydrophobicContact CD2-CE3 3.89Å; W157-W171 HydrophobicContact CD2-CZ3 4.42Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.82Å; W157-W171 HydrophobicContact CE3-CZ3 3.82Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 AromaticContact CH2-CZ3 3.42Å; W157-W171 HydrophobicContact CH2-CZ3 3.42Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.42Å; W157-W171 HydrophobicContact CZ2-CD2 4.42Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CE3 3.54Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-E176 HydrophobicContact CZ2-CB 4.24Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; W157-R180 HydrophobicContact CH2-CG 4.4Å
158	T	98.7	Very high	98.3	Very high	78 Å²	78	45.4 Å²	45.4	48%	0.479	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.4	166.3	-67.1	0	0	0	0	109.2	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.49Å; A149-T158 PolarHBondContact N-O 2.6Å; A149-T158 PolarHBondContact O-N 2.84Å; N151-T158 PolarHBondContact ND2-OG1 3.28Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-OG1 3.34Å
159	A	98.6	Very high	98.3	Very high	23 Å²	23	52.5 Å²	52.5	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.6	174.5	0	0	0	0	0	110.7	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 3.96Å; A159-Q168 HydrophobicContact CB-CB 4.41Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	56.5 Å²	56.5	50%	0.496	30%	0.304	S	S	.	.	S	Bend	trans	-73.7	-31.6	-177.1	0	0	0	0	0	113.3	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.08Å
161	D	98.3	Very high	98.3	Very high	53 Å²	53	58.5 Å²	58.5	28%	0.283	31%	0.311	S	S	.	.	S	Bend	trans	-151.2	-175	-178.1	68.1	28.9	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.16Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.62Å; Y109-D161 PolarHBondContact OH-OD2 3.32Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.88Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 3.25Å; D161-A164 PolarHBondContact O-N 3.37Å; D161-A164 PolarHBondContact OD1-N 2.84Å; D161-Q165 WeakPolarHBondContact O-CG 3.17Å; D161-Q165 PolarHBondContact O-N 2.91Å
162	T	98.3	Very high	98.3	Very high	109 Å²	109	60.9 Å²	60.9	67%	0.669	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.1	-179.1	51.9	0	0	0	0	114
163	A	98.2	Very high	98.3	Very high	5 Å²	5	58.6 Å²	58.6	4%	0.041	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-43.8	175	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.64Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.88Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 3.25Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.16Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.82Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-34.6	173.8	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 VanDerWaalsContact CZ-CA 3.5Å; Y147-A164 WeakPolarHBondContact O-CB 3.2Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 PolarHBondContact O-N 3.37Å; D161-A164 PolarHBondContact OD1-N 2.84Å; A164-I166 PolarHBondContact O-N 2.77Å; A164-T167 WeakPolarHBondContact O-CB 3.35Å; A164-T167 PolarHBondContact O-N 3.46Å; A164-Q168 PolarHBondContact O-N 3.04Å
165	Q	98.7	Very high	98.3	Very high	74 Å²	74	64.3 Å²	64.3	35%	0.346	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-26.8	173.2	-73.4	174.4	9.4	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.96Å; D161-Q165 WeakPolarHBondContact O-CG 3.17Å; D161-Q165 PolarHBondContact O-N 2.91Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.16Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 3.14Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.4	Very high	98.3	Very high	58 Å²	58	63 Å²	63	30%	0.297	34%	0.337	S	S	.	.	H	α-helix	trans	-68.1	-45.5	174.2	-56.7	171.9	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.05Å; Y108-I166 HydrophobicContact CD2-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CD1 4.35Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.27Å; Y108-I166 HydrophobicContact CE2-CG2 4.14Å; Y108-I166 HydrophobicContact CG-CD1 4.14Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.82Å; A164-I166 PolarHBondContact O-N 2.77Å; I166-K170 WeakPolarHBondContact O-CG 3.31Å; I166-K170 PolarHBondContact O-N 2.85Å
167	T	98.3	Very high	98.3	Very high	17 Å²	17	61.6 Å²	61.6	10%	0.104	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-46	174.7	-68.4	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.43Å; I148-T167 HydrophobicContact CD1-CG2 4Å; A164-T167 WeakPolarHBondContact O-CB 3.35Å; A164-T167 PolarHBondContact O-N 3.46Å; T167-R169 PolarHBondContact O-N 3.34Å; T167-K170 WeakPolarHBondContact O-CB 3.36Å; T167-K170 PolarHBondContact O-N 2.86Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.14Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 4.33Å; T167-W171 HydrophobicContact CG2-CZ2 3.85Å; T167-W171 HydrophobicContact CG2-CZ3 4.44Å; T167-W171 PolarHBondContact O-N 3.05Å
168	Q	98.6	Very high	98.3	Very high	40 Å²	40	66.4 Å²	66.4	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-51.3	-52.4	177.3	176.1	173.8	15.5	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.98Å; W157-Q168 HydrophobicContact CB-CG 4.13Å; W157-Q168 PolarHBondContact O-NE2 3.33Å; A159-Q168 HydrophobicContact CB-CB 4.41Å; A164-Q168 PolarHBondContact O-N 3.04Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.8Å; Q168-W171 PolarHBondContact O-N 3.2Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.37Å; Q168-E172 PolarHBondContact NE2-OE1 2.72Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.39Å; Q168-E172 PolarHBondContact O-N 2.76Å
169	R	98.6	Very high	98.2	Very high	155 Å²	155	68.2 Å²	68.2	59%	0.585	35%	0.354	S	S	*	.	H	α-helix	trans	-60.2	-37.8	179.4	-69	170.6	-165.6	146.5	8.9	112.7	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 3.14Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 3.34Å; R169-A173 VanDerWaalsContact O-CB 3.28Å; R169-A173 WeakPolarHBondContact O-CB 3.25Å; R169-A173 PolarHBondContact O-N 2.86Å
170	K	98.1	Very high	98.2	Very high	112 Å²	112	70.9 Å²	70.9	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-45.5	176.7	-71.8	178.9	175	-173.2	0	111.1	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.39Å; I166-K170 WeakPolarHBondContact O-CG 3.31Å; I166-K170 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.36Å; T167-K170 PolarHBondContact O-N 2.86Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.8Å; K170-A173 PolarHBondContact O-N 3.2Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.11Å
171	W	98.2	Very high	98.2	Very high	56 Å²	56	73 Å²	73	21%	0.212	35%	0.354	C	S	.	.	H	α-helix	trans	-69.7	-37.3	-179.1	-73.9	4.6	0	0	0	112.7	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.99Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.68Å; W157-W171 AromaticContact CD2-CE3 3.89Å; W157-W171 HydrophobicContact CD2-CE3 3.89Å; W157-W171 HydrophobicContact CD2-CZ3 4.42Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.82Å; W157-W171 HydrophobicContact CE3-CZ3 3.82Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 AromaticContact CH2-CZ3 3.42Å; W157-W171 HydrophobicContact CH2-CZ3 3.42Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.42Å; W157-W171 HydrophobicContact CZ2-CD2 4.42Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.54Å; W157-W171 HydrophobicContact CZ3-CE3 3.54Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.14Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 4.33Å; T167-W171 HydrophobicContact CG2-CZ2 3.85Å; T167-W171 HydrophobicContact CG2-CZ3 4.44Å; T167-W171 PolarHBondContact O-N 3.05Å; Q168-W171 PolarHBondContact O-N 3.2Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 2.71Å; W171-R175 WeakPolarHBondContact O-CA 3.45Å; W171-R175 PolarHBondContact O-N 2.86Å; W171-E176 HydrophobicContact CB-CB 3.97Å; W171-E176 HydrophobicContact CB-CG 3.9Å; W171-E176 HydrophobicContact CG-CB 4.17Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 2.88Å
172	E	98.4	Very high	98.2	Very high	94 Å²	94	73.5 Å²	73.5	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-45.5	172.1	-73.4	170.4	175	0	0	111.3	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.37Å; Q168-E172 PolarHBondContact NE2-OE1 2.72Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.39Å; Q168-E172 PolarHBondContact O-N 2.76Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.15Å; E172-R175 PolarHBondContact O-N 3.11Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.3	Very high	98.2	Very high	88 Å²	88	71 Å²	71	73%	0.727	34%	0.344	S	S	*	.	H	α-helix	trans	-63.2	-34.9	176.6	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.28Å; R169-A173 WeakPolarHBondContact O-CB 3.25Å; R169-A173 PolarHBondContact O-N 2.86Å; K170-A173 PolarHBondContact O-N 3.2Å
174	A	97.9	Very high	98.2	Very high	51 Å²	51	70.8 Å²	70.8	42%	0.421	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.8	176.7	0	0	0	0	0	113.9	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.11Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 2.71Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.15Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 3.49Å
175	R	97.8	Very high	98.2	Very high	157 Å²	157	75 Å²	75	59%	0.592	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	38.3	-176.7	-59.1	173.6	170.2	-136.7	6.9	113.7	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.45Å; W171-R175 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 3.11Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 2.84Å; R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE1 3.38Å; R175-E178 IonicContact CZ-OE1 3.04Å; R175-E178 IonicContact NE-OE1 2.72Å; R175-E178 IonicContact NH1-OE1 2.89Å; R175-E178 PolarHBondContact NH1-OE1 3.12Å; R175-E178 IonicContact NH1-OE2 3.51Å; R175-E178 WeakPolarHBondContact O-CB 3.18Å; R175-E178 PolarHBondContact O-N 3.19Å
176	E	97.6	Very high	98.2	Very high	43 Å²	43	72.6 Å²	72.6	20%	0.201	36%	0.357	C	S	.	.	H	α-helix	trans	-58	-33.7	-178.8	-69.3	-69.7	168.2	0	0	112.5	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.24Å; W171-E176 HydrophobicContact CB-CB 3.97Å; W171-E176 HydrophobicContact CB-CG 3.9Å; W171-E176 HydrophobicContact CG-CB 4.17Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 2.88Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 3.49Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.86Å; E176-Q179 PolarHBondContact O-N 3.07Å; E176-Q179 VanDerWaalsContact O-N 3.14Å; E176-R180 WeakPolarHBondContact O-CG 3.29Å; E176-R180 PolarHBondContact O-N 3.04Å; E176-R180 IonicContact OE2-NH1 3.2Å
177	A	98.2	Very high	98.1	Very high	9 Å²	9	74.4 Å²	74.4	7%	0.074	36%	0.364	C	S	.	.	H	α-helix	trans	-59.6	-35.6	177.8	0	0	0	0	0	112.5	L150 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; R175-A177 PolarHBondContact O-N 2.84Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 2.82Å; A177-R180 PolarHBondContact O-N 3.09Å; A177-R181 WeakPolarHBondContact O-CB 3.33Å; A177-R181 PolarHBondContact O-N 3.34Å
178	E	98	Very high	98.2	Very high	112 Å²	112	73.6 Å²	73.6	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-40.7	177.7	-63.1	177.8	-168	0	0	111	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE1 3.38Å; R175-E178 IonicContact CZ-OE1 3.04Å; R175-E178 IonicContact NE-OE1 2.72Å; R175-E178 IonicContact NH1-OE1 2.89Å; R175-E178 PolarHBondContact NH1-OE1 3.12Å; R175-E178 IonicContact NH1-OE2 3.51Å; R175-E178 WeakPolarHBondContact O-CB 3.18Å; R175-E178 PolarHBondContact O-N 3.19Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.86Å; E178-A182 WeakPolarHBondContact O-CB 3.26Å; E178-A182 PolarHBondContact O-N 3.18Å
179	Q	96.8	Very high	98.2	Very high	117 Å²	117	72 Å²	72	55%	0.547	35%	0.352	S	S	.	.	H	α-helix	trans	-70.1	-43.8	177.8	-61	-176.5	20.7	0	0	111.8	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.07Å; E176-Q179 VanDerWaalsContact O-N 3.14Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 2.82Å; Q179-A182 PolarHBondContact O-N 2.94Å; Q179-Y183 PolarHBondContact O-N 3.16Å; 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	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-44.7	177.3	-66.3	-57.5	-171.3	-97.1	-7.3	111.5	D138 L150 W157 E176 A177 A182 Y183 L184	D138-R180 WeakPolarHBondContact OD2-CD 3.43Å; D138-R180 WeakPolarHBondContact OD2-CG 3.48Å; D138-R180 IonicContact OD2-NE 2.88Å; D138-R180 PolarHBondContact OD2-NE 3.24Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; W157-R180 HydrophobicContact CH2-CG 4.4Å; E176-R180 WeakPolarHBondContact O-CG 3.29Å; E176-R180 PolarHBondContact O-N 3.04Å; E176-R180 IonicContact OE2-NH1 3.2Å; A177-R180 PolarHBondContact O-N 3.09Å; R180-A182 PolarHBondContact O-N 3.43Å; R180-Y183 PolarHBondContact O-N 2.81Å; R180-L184 WeakPolarHBondContact O-CB 3.36Å; R180-L184 WeakPolarHBondContact O-CG 3.35Å; R180-L184 PolarHBondContact O-N 3.3Å
181	R	98.4	Very high	98.1	Very high	103 Å²	103	67.6 Å²	67.6	39%	0.389	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-48.5	174	-179	-179.3	174.9	155	16.4	112	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.94Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; A177-R181 WeakPolarHBondContact O-CB 3.33Å; A177-R181 PolarHBondContact O-N 3.34Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.87Å; R181-L184 PolarHBondContact O-N 2.81Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.28Å; R181-E185 IonicContact CZ-OE1 2.83Å; R181-E185 IonicContact CZ-OE2 3.89Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.13Å; R181-E185 PolarHBondContact NE-OE1 3.3Å; R181-E185 IonicContact NE-OE2 3.68Å; R181-E185 PolarHBondContact NE-OE2 3.43Å; R181-E185 IonicContact NH2-OE1 2.78Å; R181-E185 PolarHBondContact NH2-OE1 2.97Å; R181-E185 IonicContact NH2-OE2 3.77Å; R181-E185 WeakPolarHBondContact O-CB 3.43Å; R181-E185 PolarHBondContact O-N 2.91Å
182	A	98.4	Very high	98.2	Very high	64 Å²	64	65 Å²	65	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-40.8	179.8	0	0	0	0	0	112.4	E178 Q179 R180 G186	E178-A182 WeakPolarHBondContact O-CB 3.26Å; E178-A182 PolarHBondContact O-N 3.18Å; Q179-A182 PolarHBondContact O-N 2.94Å; R180-A182 PolarHBondContact O-N 3.43Å; A182-G186 PolarHBondContact O-N 3.38Å; A182-G186 VanDerWaalsContact O-N 3.1Å
183	Y	98.3	Very high	98.1	Very high	56 Å²	56	66.1 Å²	66.1	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-47.7	173.9	171.7	-97.1	0	0	0	112.3	Y123 Q179 R180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.8Å; Y123-Y183 HydrophobicContact CD2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CE1 3.69Å; Y123-Y183 HydrophobicContact CE2-CE1 3.69Å; Y123-Y183 AromaticContact CE2-CZ 3.95Å; Q179-Y183 PolarHBondContact O-N 3.16Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å; R180-Y183 PolarHBondContact O-N 2.81Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.87Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-G186 PolarHBondContact O-N 2.61Å; Y183-E187 HydrophobicContact CD2-CB 3.81Å; Y183-E187 HydrophobicContact CE2-CB 3.99Å; Y183-E187 PolarHBondContact O-N 2.83Å; Y183-E187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.28Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.13Å; Y183-C188 PolarHBondContact O-N 3.05Å
184	L	98.6	Very high	98.1	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-39	-175.2	-70	170.7	0	0	0	112.8	G124 L150 L154 R180 R181 V189	G124-L184 VanDerWaalsContact O-CD2 3.24Å; G124-L184 WeakPolarHBondContact O-CD2 3.36Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å; L154-L184 HydrophobicContact CD2-CD1 4Å; R180-L184 WeakPolarHBondContact O-CB 3.36Å; R180-L184 WeakPolarHBondContact O-CG 3.35Å; R180-L184 PolarHBondContact O-N 3.3Å; R181-L184 PolarHBondContact O-N 2.81Å; L184-V189 WeakPolarHBondContact O-CG2 3.19Å
185	E	98.2	Very high	98	Very high	89 Å²	89	65.3 Å²	65.3	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-79	-24.1	176.9	-70.1	-179.5	156.1	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L154-E185 HydrophobicContact CD1-CG 4.16Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.28Å; R181-E185 IonicContact CZ-OE1 2.83Å; R181-E185 IonicContact CZ-OE2 3.89Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.13Å; R181-E185 PolarHBondContact NE-OE1 3.3Å; R181-E185 IonicContact NE-OE2 3.68Å; R181-E185 PolarHBondContact NE-OE2 3.43Å; R181-E185 IonicContact NH2-OE1 2.78Å; R181-E185 PolarHBondContact NH2-OE1 2.97Å; R181-E185 IonicContact NH2-OE2 3.77Å; R181-E185 WeakPolarHBondContact O-CB 3.43Å; R181-E185 PolarHBondContact O-N 2.91Å
186	G	98.1	Very high	98	Very high	22 Å²	22	58.5 Å²	58.5	23%	0.227	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-95.7	-177.3	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.38Å; A182-G186 VanDerWaalsContact O-N 3.1Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-G186 PolarHBondContact O-N 2.61Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.73Å; G186-V189 PolarHBondContact O-N 2.88Å; G186-E190 WeakPolarHBondContact O-CG 3.49Å; G186-E190 PolarHBondContact O-N 3.02Å
187	E	98.1	Very high	97.9	Very high	96 Å²	96	61.7 Å²	61.7	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-53.3	-41.8	-170	-70.9	-170.6	-135.2	0	0	113.5	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.81Å; Y183-E187 HydrophobicContact CE2-CB 3.99Å; Y183-E187 PolarHBondContact O-N 2.83Å; Y183-E187 VanDerWaalsContact O-N 3.16Å; E187-V189 PolarHBondContact O-N 2.83Å; E187-E190 PolarHBondContact O-N 2.8Å; E187-W191 WeakPolarHBondContact O-CB 3.32Å; E187-W191 PolarHBondContact O-N 2.8Å
188	C	98.6	Very high	97.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-48.2	179.4	-172.7	0	0	0	0	111.5	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 WeakPolarHBondContact CE-O 3.39Å; M29-C188 VanDerWaalsContact CE-SG 3.55Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 3.07Å; C125-C188 WeakPolarHBondContact SG-CB 2.98Å; C125-C188 PolarHBondContact SG-O 3.41Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.03Å; Y183-C188 HydrophobicContact CD1-CB 4.28Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.13Å; Y183-C188 PolarHBondContact O-N 3.05Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.73Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 2.91Å
189	V	98.6	Very high	97.7	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-41.6	180	173.4	0	0	0	0	110.9	C125 V127 G131 L133 L184 G186 E187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.38Å; V127-V189 HydrophobicContact CG1-CB 4.44Å; V127-V189 HydrophobicContact CG1-CG1 4.02Å; V127-V189 HydrophobicContact CG1-CG2 4Å; G131-V189 WeakPolarHBondContact O-CG1 3.47Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.85Å; L133-V189 HydrophobicContact CG-CG2 4.5Å; L184-V189 WeakPolarHBondContact O-CG2 3.19Å; G186-V189 PolarHBondContact O-N 2.88Å; E187-V189 PolarHBondContact O-N 2.83Å; V189-L192 PolarHBondContact O-N 2.96Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 2.72Å
190	E	98.4	Very high	97.4	Very high	130 Å²	130	57.4 Å²	57.4	61%	0.607	27%	0.266	S	S	*	.	H	α-helix	trans	-62.6	-46.2	178.2	-70.4	-179.2	174.2	0	0	112.1	G186 E187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.49Å; G186-E190 PolarHBondContact O-N 3.02Å; E187-E190 PolarHBondContact O-N 2.8Å; E190-R193 PolarHBondContact O-N 3.41Å; E190-R194 PolarHBondContact O-N 3Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98.3	Very high	97.1	Very high	45 Å²	45	59.9 Å²	59.9	17%	0.17	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-43.1	177.1	-81.5	109.9	0	0	0	112.1	M29 Y83 R86 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.03Å; M29-W191 HydrophobicContact SD-CB 4.47Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.18Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.33Å; Y83-W191 AromaticContact CE2-CH2 3.9Å; Y83-W191 HydrophobicContact CE2-CH2 3.9Å; Y83-W191 HydrophobicContact CE2-CZ2 4.4Å; Y83-W191 AromaticContact CE2-CZ3 3.85Å; Y83-W191 HydrophobicContact CE2-CZ3 3.85Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.31Å; E187-W191 WeakPolarHBondContact O-CB 3.32Å; E187-W191 PolarHBondContact O-N 2.8Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.7Å; W191-R194 WeakPolarHBondContact O-CB 3.33Å; W191-R194 PolarHBondContact O-N 2.88Å; W191-Y195 HydrophobicContact CB-CE2 4Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.41Å; W191-Y195 PolarHBondContact O-N 3.31Å
192	L	98.4	Very high	96.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-47	176.2	174.6	52.4	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 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-L192 HydrophobicContact SD-CB 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.63Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 2.91Å; V189-L192 PolarHBondContact O-N 2.96Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.21Å; L192-Y195 PolarHBondContact O-N 2.98Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; L192-L196 HydrophobicContact CD1-CD1 3.94Å; L192-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 HydrophobicContact CD1-CG 3.93Å; L192-L196 HydrophobicContact CG-CD1 4.08Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 3.3Å
193	R	97.3	Very high	96.3	Very high	118 Å²	118	57.5 Å²	57.5	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-43	176.1	-72	173.8	-175.5	179.3	3.5	112.5	G131 V189 E190 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.26Å; G131-R193 PolarHBondContact O-NE 2.7Å; G131-R193 PolarHBondContact O-NH2 3.17Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 2.72Å; E190-R193 PolarHBondContact O-N 3.41Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.7Å; R193-Y195 VanDerWaalsContact C-N 3.34Å; R193-L196 PolarHBondContact O-N 3.05Å; R193-E197 PolarHBondContact O-N 3.4Å
194	R	97.4	Very high	95.8	Very high	122 Å²	122	60.1 Å²	60.1	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-43.1	176.1	176.2	178.2	174	129.6	-3.5	111.4	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 2.8Å; E79-R194 IonicContact OE1-NE 2.8Å; E79-R194 PolarHBondContact OE1-NE 2.89Å; E79-R194 IonicContact OE1-NH2 2.72Å; E79-R194 PolarHBondContact OE1-NH2 3.46Å; E79-R194 VanDerWaalsContact OE1-NH2 3.13Å; E79-R194 IonicContact OE2-CZ 3.21Å; E79-R194 IonicContact OE2-NE 3.76Å; E79-R194 IonicContact OE2-NH2 4Å; E79-R194 PolarHBondContact OE2-NH2 3.48Å; E190-R194 PolarHBondContact O-N 3Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.33Å; W191-R194 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.21Å; R194-E197 PolarHBondContact O-N 2.95Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.5Å; R194-N198 PolarHBondContact O-N 2.96Å
195	Y	97.6	Very high	95.4	Very high	1 Å²	1	66.7 Å²	66.7	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-39.1	179.2	-61.8	-27	0	0	0	112.7	M29 V52 F57 W75 I76 Y83 W191 L192 R193 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.68Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; F57-Y195 HydrophobicContact CD2-CE2 4.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.67Å; F57-Y195 HydrophobicContact CE2-CE2 3.67Å; F57-Y195 AromaticContact CE2-CZ 4Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å; W75-Y195 HydrophobicContact CE3-CD1 4.4Å; W75-Y195 HydrophobicContact CH2-CD2 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.7Å; W75-Y195 HydrophobicContact CZ3-CD1 3.7Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.46Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.14Å; Y83-Y195 PolarHBondContact OH-OH 3.06Å; W191-Y195 HydrophobicContact CB-CE2 4Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.41Å; W191-Y195 PolarHBondContact O-N 3.31Å; L192-Y195 PolarHBondContact O-N 2.98Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; R193-Y195 VanDerWaalsContact C-N 3.34Å; Y195-N198 PolarHBondContact O-N 2.82Å; Y195-G199 WeakPolarHBondContact O-CA 3.26Å; Y195-G199 PolarHBondContact O-N 3.29Å; Y195-L203 WeakPolarHBondContact O-CD1 3.07Å
196	L	96.3	Very high	95.2	Very high	13 Å²	13	63.8 Å²	63.8	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-47.2	173.4	-68.7	169.4	0	0	0	111.2	H27 V52 L192 R193 N198 G199 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4.03Å; H27-L196 HydrophobicContact CB-CG 4.46Å; H27-L196 WeakPolarHBondContact ND1-CD2 3Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.94Å; L192-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 HydrophobicContact CD1-CG 3.93Å; L192-L196 HydrophobicContact CG-CD1 4.08Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 3.3Å; R193-L196 PolarHBondContact O-N 3.05Å; L196-N198 PolarHBondContact O-N 3.42Å; L196-G199 CarbonylContact O-C 3.6Å; L196-G199 PolarHBondContact O-N 2.84Å; L196-K200 WeakPolarHBondContact O-CA 3.44Å; L196-K200 WeakPolarHBondContact O-CB 3.24Å; L196-K200 PolarHBondContact O-N 2.89Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å
197	E	95.9	Very high	95.1	Very high	110 Å²	110	64.1 Å²	64.1	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-45.8	176.7	-178.8	59.9	-135.7	0	0	112	R193 R194 G199 K200	R193-E197 PolarHBondContact O-N 3.4Å; R194-E197 PolarHBondContact O-N 2.95Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.17Å; E197-K200 IonicContact OE1-NZ 3.39Å; E197-K200 PolarHBondContact OE1-NZ 2.89Å
198	N	96.1	Very high	95.1	Very high	53 Å²	53	62.6 Å²	62.6	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-35.1	179.1	-78.2	-4.3	0	0	0	112.7	Q78 R194 Y195 L196	Q78-N198 PolarHBondContact NE2-ND2 3.26Å; Q78-N198 PolarHBondContact NE2-OD1 2.79Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.5Å; R194-N198 PolarHBondContact O-N 2.96Å; Y195-N198 PolarHBondContact O-N 2.82Å; L196-N198 PolarHBondContact O-N 3.42Å
199	G	94.9	Very high	95.1	Very high	5 Å²	5	63 Å²	63	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-107.7	10.7	-173.8	0	0	0	0	0	114.6	Y195 L196 E197 D201 K202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.26Å; Y195-G199 PolarHBondContact O-N 3.29Å; L196-G199 CarbonylContact O-C 3.6Å; L196-G199 PolarHBondContact O-N 2.84Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.17Å; G199-D201 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 3Å; G199-D201 VanDerWaalsContact O-N 3.13Å; G199-K202 CarbonylContact O-C 3.48Å; G199-K202 WeakPolarHBondContact O-CA 3.24Å; G199-K202 PolarHBondContact O-N 3.17Å; G199-L203 PolarHBondContact O-N 2.96Å
200	K	92.6	Very high	95.1	Very high	91 Å²	91	70.1 Å²	70.1	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-49.9	-43.2	-167	65	-172.3	171.9	-162	0	115.1	L196 E197 K202 E204	L196-K200 WeakPolarHBondContact O-CA 3.44Å; L196-K200 WeakPolarHBondContact O-CB 3.24Å; L196-K200 PolarHBondContact O-N 2.89Å; E197-K200 IonicContact OE1-NZ 3.39Å; E197-K200 PolarHBondContact OE1-NZ 2.89Å; K200-K202 PolarHBondContact O-N 2.83Å; K200-E204 PolarHBondContact O-N 3.44Å
201	D	90.5	Very high	95.1	Very high	130 Å²	130	65.7 Å²	65.7	70%	0.695	31%	0.305	S	S	*	.	H	α-helix	trans	-59.6	-23.2	-179.5	-67.4	-12.4	0	0	0	112.8	G199	G199-D201 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 3Å; G199-D201 VanDerWaalsContact O-N 3.13Å
202	K	89.9	Confident	95	Very high	114 Å²	114	67.2 Å²	67.2	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-104.2	-65.1	174.8	-65	-63.1	-179.5	179.7	0	110.2	G199 K200 E204 R205 R263	G199-K202 CarbonylContact O-C 3.48Å; G199-K202 WeakPolarHBondContact O-CA 3.24Å; G199-K202 PolarHBondContact O-N 3.17Å; K200-K202 PolarHBondContact O-N 2.83Å; K202-E204 PolarHBondContact O-N 2.85Å; K202-R205 WeakPolarHBondContact O-CB 3.12Å; K202-R205 PolarHBondContact O-N 2.83Å; K202-R263 PolarHBondContact O-NH1 2.88Å; K202-R263 PolarHBondContact O-NH2 2.66Å
203	L	89.6	Confident	95	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-39.5	-165.3	-65.5	173.3	0	0	0	113.4	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.35Å; V52-L203 HydrophobicContact CB-CD2 4.22Å; V52-L203 HydrophobicContact CG1-CD1 3.95Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å; T55-L203 HydrophobicContact CG2-CD2 4.14Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.22Å; W75-L203 HydrophobicContact CZ2-CG 4.48Å; Y195-L203 WeakPolarHBondContact O-CD1 3.07Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 PolarHBondContact O-N 2.96Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.98Å
204	E	87.5	Confident	95	Very high	111 Å²	111	64.2 Å²	64.2	52%	0.519	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.6	179.6	-60.1	-176.3	175	0	0	113.1	K200 K202	K200-E204 PolarHBondContact O-N 3.44Å; K202-E204 PolarHBondContact O-N 2.85Å
205	R	91.5	Very high	95	Very high	139 Å²	139	61 Å²	61	53%	0.525	30%	0.299	S	S	.	.			trans	-95.9	113.2	179.5	178.3	179.9	159.6	166.3	-1	110.6	K202 L203 D207 Y233	K202-R205 WeakPolarHBondContact O-CB 3.12Å; K202-R205 PolarHBondContact O-N 2.83Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.98Å; R205-D207 IonicContact CZ-OD1 3.43Å; R205-D207 IonicContact NE-OD1 2.9Å; R205-D207 PolarHBondContact NE-OD1 2.81Å; R205-D207 IonicContact NE-OD2 3.92Å; R205-D207 IonicContact NH2-OD1 3.1Å; R205-D207 PolarHBondContact NH2-OD1 2.05Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å
206	A	94.4	Very high	94.8	Very high	28 Å²	28	65 Å²	65	23%	0.231	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-80	129.7	163.9	0	0	0	0	0	110.9	Y233 E288	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.33Å; A206-E288 HydrophobicContact CB-CB 4.29Å; A206-E288 HydrophobicContact CB-CG 4.46Å
207	D	96	Very high	94.7	Very high	30 Å²	30	69 Å²	69	16%	0.16	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-103.1	118	172.5	-73	-46.4	0	0	0	108.6	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.43Å; R205-D207 IonicContact NE-OD1 2.9Å; R205-D207 PolarHBondContact NE-OD1 2.81Å; R205-D207 IonicContact NE-OD2 3.92Å; R205-D207 IonicContact NH2-OD1 3.1Å; R205-D207 PolarHBondContact NH2-OD1 2.05Å; D207-F232 WeakPolarHBondContact O-CA 3.42Å; D207-F232 WeakPolarHBondContact O-CB 3.49Å; D207-Y233 PolarHBondContact N-O 2.86Å; D207-Y233 PolarHBondContact O-N 2.75Å; D207-H287 PolarHBondContact O-CE1 3.42Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å
208	P	97.4	Very high	94.6	Very high	64 Å²	64	68.3 Å²	68.3	42%	0.416	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-69.5	149.6	-177.6	24.2	-32	0	0	0	112.6	G289 L290	P208-G289 WeakPolarHBondContact CB-O 3.49Å; P208-L290 HydrophobicContact CB-CD2 3.84Å; P208-L290 HydrophobicContact CB-CG 4.38Å
209	P	98.2	Very high	94.4	Very high	9 Å²	9	68.3 Å²	68.3	6%	0.058	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-68.2	134.3	178.9	28.3	-35.3	0	0	0	112.3	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.46Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.87Å; P209-F232 HydrophobicContact CB-CG 4.11Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; P209-V285 HydrophobicContact CG-CG1 3.92Å; P209-H287 HydrophobicContact CG-CB 4.09Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.24Å
210	K	98.3	Very high	94.2	Very high	156 Å²	156	75.4 Å²	75.4	68%	0.678	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	112.6	163.2	-62.7	174.1	-172.5	169.7	0	107.9	L230	K210-L230 PolarHBondContact N-O 3.5Å; K210-L230 PolarHBondContact O-N 2.8Å
211	T	98.2	Very high	94.3	Very high	36 Å²	36	77.9 Å²	77.9	22%	0.221	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143	-171.6	51.6	0	0	0	0	112.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.46Å; T211-W228 WeakPolarHBondContact CA-O 3.32Å; T211-A229 HydrophobicContact CG2-CB 4.28Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4Å; T211-L294 HydrophobicContact CG2-CD1 4.4Å; T211-L296 HydrophobicContact CG2-CD1 4.48Å
212	H	97.4	Very high	94.5	Very high	78 Å²	78	76 Å²	76	36%	0.361	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	158.6	172.3	63.9	-75.6	0	0	0	110.5	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.38Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.3Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.5Å
213	V	98.3	Very high	94.8	Very high	22 Å²	22	70.7 Å²	70.7	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.6	176.7	-179.1	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; V213-R226 WeakPolarHBondContact CA-O 3.32Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; V213-L296 HydrophobicContact CG2-CB 3.82Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	97	Very high	95.2	Very high	33 Å²	33	71.5 Å²	71.5	20%	0.202	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.6	175.9	55.1	0	0	0	0	110.1	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.93Å; T214-H216 VanDerWaalsContact OG1-CE1 3.32Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; T214-R226 PolarHBondContact N-O 3.27Å; T214-R226 PolarHBondContact O-N 2.83Å; T214-R226 WeakPolarHBondContact OG1-CB 3.35Å; T214-R226 PolarHBondContact OG1-O 2.86Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3.05Å
215	H	96.5	Very high	95.7	Very high	54 Å²	54	66.2 Å²	66.2	25%	0.25	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.3	-178.8	169.7	-92	0	0	0	109.8	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.07Å; H215-T224 WeakPolarHBondContact CA-O 3.39Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-E278 IonicContact NE2-OE1 3.56Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 3.95Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact ND1-CZ2 3.91Å
216	H	95.1	Very high	96	Very high	85 Å²	85	62.1 Å²	62.1	39%	0.394	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	105.9	-178.7	-58.6	84.4	0	0	0	109.1	T214 I218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 2.93Å; T214-H216 VanDerWaalsContact OG1-CE1 3.32Å; H216-I218 PolarHBondContact O-N 3.31Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.04Å; H216-T224 PolarHBondContact N-O 3.22Å; H216-T224 PolarHBondContact O-N 3.35Å
217	P	94.6	Very high	96.2	Very high	97 Å²	97	60.8 Å²	60.8	63%	0.63	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	132.4	173.4	-20.8	31.1	0	0	0	110.9
218	I	92.7	Very high	96.3	Very high	96 Å²	96	61.7 Å²	61.7	49%	0.492	32%	0.316	S	S	.	.			trans	-100.9	-44	173.5	-59.6	163.8	0	0	0	109.5	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 3.31Å; I218-E222 PolarHBondContact N-O 3.47Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.27Å; I218-V272 HydrophobicContact CD1-CG1 4.08Å; I218-V272 HydrophobicContact CD1-CG2 4.1Å
219	S	92.8	Very high	96.4	Very high	53 Å²	53	58.6 Å²	58.6	37%	0.371	30%	0.296	S	S	.	.	S	Bend	trans	-147.7	-178.3	178.6	71.8	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 3.05Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.79Å; S219-E222 PolarHBondContact N-O 3.04Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 2.91Å
220	D	90.4	Very high	96.4	Very high	153 Å²	153	60.8 Å²	60.8	82%	0.818	31%	0.307	S	S	*	.	S	Bend	trans	-65.9	-9.8	172.6	-65.3	-21.4	0	0	0	113.4
221	H	93.2	Very high	96.4	Very high	144 Å²	144	54.5 Å²	54.5	67%	0.667	29%	0.287	S	S	*	.	S	Bend	trans	-116.4	-16.9	-175.2	-56	-42.3	0	0	0	113.5	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.05Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.79Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.32Å; H221-S275 PolarHBondContact O-N 2.77Å; H221-S275 PolarHBondContact O-OG 2.91Å
222	E	95.5	Very high	96.4	Very high	91 Å²	91	52.8 Å²	52.8	43%	0.425	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145.9	-171.1	-66.8	-178	161	0	0	112.5	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.47Å; S219-E222 PolarHBondContact N-O 3.04Å; S219-E222 VanDerWaalsContact N-O 3.08Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 2.91Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.48Å; E222-S275 PolarHBondContact N-OG 2.79Å
223	A	96.4	Very high	96.3	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155	171.9	0	0	0	0	0	111	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.07Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.04Å; A223-V273 PolarHBondContact N-O 2.85Å; A223-V273 PolarHBondContact O-N 3.05Å
224	T	97.8	Very high	96.2	Very high	21 Å²	21	49 Å²	49	13%	0.129	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.4	169.4	-52.8	0	0	0	0	109.8	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.39Å; H216-T224 PolarHBondContact N-O 3.22Å; H216-T224 PolarHBondContact O-N 3.35Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.27Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.29Å
225	L	98.2	Very high	96.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.6	162.7	-64	-175.5	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.29Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 3.46Å; L225-V271 PolarHBondContact O-N 3.33Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.5Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	98.4	Very high	96.2	Very high	54 Å²	54	51.1 Å²	51.1	20%	0.204	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.5	176.2	-179.5	-178	-62.4	115.2	2.8	110.3	V213 T214 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.32Å; T214-R226 PolarHBondContact N-O 3.27Å; T214-R226 PolarHBondContact O-N 2.83Å; T214-R226 WeakPolarHBondContact OG1-CB 3.35Å; T214-R226 PolarHBondContact OG1-O 2.86Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.23Å; R226-A269 WeakPolarHBondContact CA-O 3.31Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.4	Very high	96.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.7	175.3	-173.2	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.39Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; C227-A269 PolarHBondContact N-O 2.86Å; C227-A269 PolarHBondContact O-N 3.14Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.45Å; C227-C283 WeakPolarHBondContact SG-CB 3.45Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.02Å
228	W	98.5	Very high	96.4	Very high	48 Å²	48	45.1 Å²	45.1	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141.6	179.8	-70.2	89.5	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.32Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.38Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.3Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.5Å; T214-W228 PolarHBondContact OG1-NE1 3.05Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.4Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.6	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.5	162.1	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.85Å; T211-A229 HydrophobicContact CG2-CB 4.28Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.15Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.4Å; A229-K267 PolarHBondContact N-O 3.06Å; A229-K267 PolarHBondContact O-N 3.29Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.4	Very high	96.9	Very high	54 Å²	54	40.3 Å²	40.3	28%	0.283	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.6	-175.1	-58.9	176.8	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.5Å; K210-L230 PolarHBondContact O-N 2.8Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.4Å; L230-F232 PolarHBondContact O-N 2.64Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.8	Very high	97.3	Very high	24 Å²	24	33.1 Å²	33.1	25%	0.247	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.3	28.8	167.4	0	0	0	0	0	114.1	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.43Å; G231-F265 PolarHBondContact N-O 2.89Å
232	F	97.9	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	155.8	-179.5	59.1	-88.6	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.42Å; D207-F232 WeakPolarHBondContact O-CB 3.49Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.87Å; P209-F232 HydrophobicContact CB-CG 4.11Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.15Å; L230-F232 PolarHBondContact O-N 2.64Å; F232-P234 WeakPolarHBondContact CD2-O 3.48Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.5Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.99Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.04Å; F232-F265 PolarHBondContact O-N 2.91Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.72Å
233	Y	96.6	Very high	97.6	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.016	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-150.1	136.8	172.1	177.7	-82.1	0	0	0	108.6	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.9Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.1Å; T55-Y233 PolarHBondContact OG1-OH 2.98Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.33Å; D207-Y233 PolarHBondContact N-O 2.86Å; D207-Y233 PolarHBondContact O-N 2.75Å; Y233-R263 HydrophobicContact CD2-CG 3.84Å; Y233-R263 HydrophobicContact CE2-CG 4.05Å; Y233-R263 PolarHBondContact OH-NH2 2.82Å; Y233-F265 HydrophobicContact CD2-CE2 4.11Å; Y233-H287 PolarHBondContact O-CE1 3.43Å
234	P	96	Very high	97.5	Very high	18 Å²	18	32 Å²	32	12%	0.117	17%	0.165	C	C	.	.	S	Bend	cis	-71.8	179	1.6	30.1	-36.2	0	0	0	113.2	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.22Å; D54-P234 WeakPolarHBondContact OD2-CB 3.38Å; F232-P234 WeakPolarHBondContact CD2-O 3.48Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-H287 PolarHBondContact O-NE2 2.91Å; P234-E288 WeakPolarHBondContact CG-OE2 3.48Å
235	A	97	Very high	97.2	Very high	14 Å²	14	33.3 Å²	33.3	12%	0.116	18%	0.183	C	C	.	.	S	Bend	trans	-69.7	-27.9	-176.1	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.38Å; D54-A235 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 PolarHBondContact OD2-N 3.49Å; A235-I237 PolarHBondContact O-N 3.11Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.41Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.65Å
236	E	96.2	Very high	97.1	Very high	117 Å²	117	40.1 Å²	40.1	55%	0.547	22%	0.215	S	C	.	.			trans	-63.2	120	179.3	-170.6	59.5	-146.5	0	0	109.8	W23 P234 H287	W23-E236 HydrophobicContact CH2-CB 4.01Å; W23-E236 HydrophobicContact CH2-CG 3.42Å; W23-E236 VanDerWaalsContact CH2-CG 3.42Å; W23-E236 WeakPolarHBondContact CH2-O 3.46Å; W23-E236 HydrophobicContact CZ2-CB 4.41Å; W23-E236 HydrophobicContact CZ2-CG 3.39Å; W23-E236 HydrophobicContact CZ3-CB 4.34Å; W23-E236 HydrophobicContact CZ3-CG 4.15Å; W23-E236 VanDerWaalsContact CZ3-O 3.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.16Å; P234-E236 VanDerWaalsContact C-N 3.33Å; E236-H287 PolarHBondContact O-CD2 2.89Å
237	I	96.9	Very high	96.9	Very high	10 Å²	10	42 Å²	42	5%	0.051	23%	0.229	C	C	.	.			trans	-155.5	142.2	-177.2	-164.5	171.6	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.5Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; A235-I237 PolarHBondContact O-N 3.11Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.62Å; I237-V285 HydrophobicContact CD1-CG1 4.01Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.02Å; I237-H287 HydrophobicContact CD1-CB 4.35Å; I237-H287 HydrophobicContact CG1-CB 4.11Å
238	T	97.4	Very high	96.8	Very high	46 Å²	46	43.2 Å²	43.2	28%	0.282	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.4	174.2	-61.7	0	0	0	0	110.4	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.45Å; T238-Q286 PolarHBondContact N-O 3Å; T238-Q286 PolarHBondContact O-N 2.65Å
239	L	97.8	Very high	96.3	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.3	173.1	-87.2	64.4	0	0	0	108.9	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.15Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.6	Very high	95.9	Very high	39 Å²	39	55.1 Å²	55.1	24%	0.239	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.3	176.7	58.2	0	0	0	0	111.8	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.52Å; T240-C283 WeakPolarHBondContact O-CA 3.41Å; T240-H284 PolarHBondContact N-O 3.47Å; T240-H284 PolarHBondContact O-N 2.81Å
241	W	98.2	Very high	95.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.2	168.8	-82.5	105.8	0	0	0	110.1	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.63Å; W241-A269 PolarHBondContact NE1-O 3.01Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.65Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.8Å; W241-V271 HydrophobicContact CZ2-CG1 4.4Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97.9	Very high	95.2	Very high	41 Å²	41	57.8 Å²	57.8	19%	0.192	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.7	171.4	-74.5	-178.6	-3.4	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.56Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.47Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 3.43Å; Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.45Å; Q242-T282 PolarHBondContact N-O 2.86Å; Q242-T282 PolarHBondContact O-N 3.07Å; Q242-H284 VanDerWaalsContact CD-NE2 3.3Å; Q242-H284 PolarHBondContact OE1-NE2 2.83Å
243	R	97.4	Very high	95.2	Very high	70 Å²	70	63.2 Å²	63.2	26%	0.264	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.1	168.7	-175.9	-172.2	-175.8	178.6	-0.6	108.3	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.09Å; R243-E246 PolarHBondContact N-O 2.9Å; R243-E246 PolarHBondContact O-N 2.86Å; R243-Q248 HydrophobicContact CB-CG 4.02Å; R243-E277 IonicContact CZ-OE2 3.08Å; R243-E277 IonicContact NE-OE2 3Å; R243-E277 IonicContact NH2-OE1 3.84Å; R243-E277 IonicContact NH2-OE2 3.53Å; R243-E277 PolarHBondContact NH2-OE2 2.91Å; R243-R280 WeakPolarHBondContact CA-O 3.42Å; R243-R280 HydrophobicContact CG-CB 4.35Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.47Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	95.3	Very high	95.2	Very high	101 Å²	101	67.3 Å²	67.3	54%	0.54	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	28.8	-175.6	-52.9	-51	0	0	0	114.6	R280	D244-R280 PolarHBondContact N-O 2.98Å; D244-R280 IonicContact OD1-NE 3.82Å; D244-R280 PolarHBondContact OD1-NE 3.02Å; D244-R280 IonicContact OD2-CZ 3.4Å; D244-R280 IonicContact OD2-NE 2.73Å; D244-R280 PolarHBondContact OD2-NE 3.22Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 2.89Å
245	G	91.2	Very high	95.2	Very high	50 Å²	50	68 Å²	68	52%	0.515	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-1.9	-177.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.09Å
246	E	95.4	Very high	95.2	Very high	142 Å²	142	75 Å²	75	66%	0.664	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.8	176	-62.9	-173.4	169.8	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.56Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.47Å; R243-E246 PolarHBondContact N-O 2.9Å; R243-E246 PolarHBondContact O-N 2.86Å; E246-Q248 PolarHBondContact O-NE2 2.75Å
247	D	95	Very high	95.3	Very high	95 Å²	95	71.5 Å²	71.5	51%	0.508	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.6	-179.5	-69.2	-26.9	0	0	0	112.2	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 3.43Å
248	Q	94.8	Very high	95.3	Very high	25 Å²	25	75.8 Å²	75.8	12%	0.117	39%	0.393	C	S	.	.			trans	-105.5	36.6	-177.2	-57.8	-61.3	-70.1	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.63Å; R243-Q248 HydrophobicContact CB-CG 4.02Å; E246-Q248 PolarHBondContact O-NE2 2.75Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.08Å; Q248-D251 PolarHBondContact O-N 3.38Å; Q248-T252 WeakPolarHBondContact O-CB 3.41Å; Q248-T252 PolarHBondContact O-N 3.32Å; Q248-T252 PolarHBondContact O-OG1 3.39Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å
249	T	89.3	Confident	95.3	Very high	108 Å²	108	78.1 Å²	78.1	66%	0.663	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-37.7	-168.7	-48	0	0	0	0	114
250	Q	89.3	Confident	95.3	Very high	190 Å²	190	80.1 Å²	80.1	89%	0.888	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-31.4	-179	-67.8	-173.6	3	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.08Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	87.6	Confident	95	Very high	110 Å²	110	82 Å²	82	59%	0.588	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	1.4	-177.5	-56.7	-54.4	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.38Å
252	T	95.1	Very high	94.8	Very high	24 Å²	24	87 Å²	87	15%	0.147	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.2	179.9	-63.5	0	0	0	0	110.6	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.41Å; Q248-T252 PolarHBondContact O-N 3.32Å; Q248-T252 PolarHBondContact O-OG1 3.39Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.47Å; T252-L254 PolarHBondContact O-N 2.91Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å
253	E	96.9	Very high	94.5	Very high	114 Å²	114	87.9 Å²	87.9	53%	0.533	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	108.6	163.4	-174.2	-174.1	-170.7	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.43Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; E253-A269 CarbonylContact O-C 3.52Å; E253-A269 WeakPolarHBondContact O-CA 3.16Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.1Å; E253-A270 PolarHBondContact O-N 3.42Å
254	L	96.8	Very high	94.4	Very high	89 Å²	89	85.3 Å²	85.3	47%	0.466	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.1	177.8	-174	68.3	0	0	0	109.6	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.47Å; T252-L254 PolarHBondContact O-N 2.91Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255	V	96.7	Very high	94.6	Very high	34 Å²	34	81.7 Å²	81.7	21%	0.206	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-85.9	154.5	174.9	-65.3	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.47Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CG 3.35Å; V255-K267 PolarHBondContact O-NZ 2.9Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 2.99Å
256	E	96.9	Very high	94.9	Very high	160 Å²	160	81.4 Å²	81.4	75%	0.748	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-57.6	146.4	168.3	-67.6	-57.8	159.8	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 3.16Å
257	T	98	Very high	95.1	Very high	43 Å²	43	75.4 Å²	75.4	26%	0.264	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67	129.5	173.8	-56.8	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.99Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.41Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 3.19Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
258	R	97.5	Very high	95.2	Very high	101 Å²	101	72.1 Å²	72.1	38%	0.381	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.6	-174.6	68	-169.6	-179.3	179.4	5	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.16Å; R258-F265 WeakPolarHBondContact O-CA 3.31Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.32Å; R258-Q266 WeakPolarHBondContact O-CG 3.22Å; R258-Q266 PolarHBondContact O-N 3.35Å
259	P	97.4	Very high	95.4	Very high	95 Å²	95	71 Å²	71	62%	0.617	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.5	178.7	28.7	-34.7	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.27Å
260	A	96.5	Very high	95.8	Very high	50 Å²	50	65.9 Å²	65.9	41%	0.413	36%	0.355	S	S	.	.			trans	-89	-15.2	172.5	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.17Å; A260-T264 PolarHBondContact N-O 3.38Å
261	G	92.8	Very high	96.2	Very high	77 Å²	77	57 Å²	57	79%	0.794	31%	0.313	S	S	*	.	S	Bend	trans	94.6	-3.4	179.7	0	0	0	0	0	114.7
262	D	92.3	Very high	96.7	Very high	109 Å²	109	55 Å²	55	58%	0.583	31%	0.305	S	S	*	.	S	Bend	trans	-117.6	30.3	-179.2	65.9	-6.1	0	0	0	112.2	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; D262-T264 PolarHBondContact O-N 2.73Å; D262-T264 WeakPolarHBondContact OD1-CB 3.46Å; D262-T264 PolarHBondContact OD1-N 3.14Å; D262-T264 VanDerWaalsContact OD1-N 3.08Å; D262-T264 PolarHBondContact OD1-OG1 2.96Å
263	R	91.9	Very high	96.8	Very high	58 Å²	58	54 Å²	54	22%	0.219	30%	0.299	C	S	.	.	S	Bend	trans	76.5	-22.8	-168	-175.1	-174.5	179.8	-138.4	-2.8	115	T55 K202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 3.45Å; K202-R263 PolarHBondContact O-NH1 2.88Å; K202-R263 PolarHBondContact O-NH2 2.66Å; Y233-R263 HydrophobicContact CD2-CG 3.84Å; Y233-R263 HydrophobicContact CE2-CG 4.05Å; Y233-R263 PolarHBondContact OH-NH2 2.82Å; R263-F265 WeakPolarHBondContact O-CE2 3.44Å
264	T	96.8	Very high	96.8	Very high	17 Å²	17	50.7 Å²	50.7	10%	0.104	29%	0.287	C	S	.	.			trans	-85.4	167.8	-176.6	75.1	0	0	0	0	112.9	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.43Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.17Å; A260-T264 PolarHBondContact N-O 3.38Å; D262-T264 PolarHBondContact O-N 2.73Å; D262-T264 WeakPolarHBondContact OD1-CB 3.46Å; D262-T264 PolarHBondContact OD1-N 3.14Å; D262-T264 VanDerWaalsContact OD1-N 3.08Å; D262-T264 PolarHBondContact OD1-OG1 2.96Å
265	F	98.3	Very high	96.6	Very high	24 Å²	24	49 Å²	49	11%	0.105	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	163.7	179.9	-64.3	-87.8	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 2.89Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.04Å; F232-F265 PolarHBondContact O-N 2.91Å; Y233-F265 HydrophobicContact CD2-CE2 4.11Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.65Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.31Å; P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.27Å; R263-F265 WeakPolarHBondContact O-CE2 3.44Å
266	Q	98.4	Very high	96.4	Very high	44 Å²	44	50.5 Å²	50.5	21%	0.206	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144.1	174.1	45	169	-22	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.4Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.32Å; R258-Q266 WeakPolarHBondContact O-CG 3.22Å; R258-Q266 PolarHBondContact O-N 3.35Å
267	K	98.6	Very high	96.4	Very high	17 Å²	17	45.4 Å²	45.4	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.7	176.5	-161.8	-176.7	-171.1	69.3	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.06Å; A229-K267 PolarHBondContact O-N 3.29Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.62Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; V255-K267 HydrophobicContact CG2-CG 4.47Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CG 3.35Å; V255-K267 PolarHBondContact O-NZ 2.9Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 3.19Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
268	W	98.4	Very high	96.2	Very high	26 Å²	26	44.3 Å²	44.3	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.5	169.6	59.2	-99.2	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.23Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.39Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.43Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 2.99Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
269	A	98.3	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.8	173.9	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.31Å; C227-A269 PolarHBondContact N-O 2.86Å; C227-A269 PolarHBondContact O-N 3.14Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 3.01Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.52Å; E253-A269 WeakPolarHBondContact O-CA 3.16Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270	A	98.1	Very high	96.1	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.2	-179.9	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.29Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.1Å; E253-A270 PolarHBondContact O-N 3.42Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
271	V	98	Very high	96.2	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.3	175.9	63.7	0	0	0	0	109.1	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.29Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 3.46Å; L225-V271 PolarHBondContact O-N 3.33Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.65Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.8Å; W241-V271 HydrophobicContact CZ2-CG1 4.4Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.37Å; V271-Y281 HydrophobicContact CG2-CD1 4.44Å; V271-Y281 HydrophobicContact CG2-CE1 4.06Å
272	V	97.7	Very high	96.4	Very high	69 Å²	69	39.1 Å²	39.1	42%	0.418	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.4	171.6	-179.8	0	0	0	0	108.1	I218 E222	I218-V272 HydrophobicContact CD1-CG1 4.08Å; I218-V272 HydrophobicContact CD1-CG2 4.1Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.3Å
273	V	96.8	Very high	96.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.1	-175.7	-51.7	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.48Å; A223-V273 PolarHBondContact N-O 2.85Å; A223-V273 PolarHBondContact O-N 3.05Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.6	Very high	97	Very high	45 Å²	45	32.8 Å²	32.8	29%	0.292	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.2	170.2	-20.3	32.3	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.32Å; P274-G276 PolarHBondContact O-N 3.35Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.19Å; P274-E277 PolarHBondContact O-N 3.3Å
275	S	93.4	Very high	97.1	Very high	54 Å²	54	32 Å²	32	38%	0.378	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	129.2	176.7	-62.9	0	0	0	0	111.3	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 2.77Å; H221-S275 PolarHBondContact O-OG 2.91Å; E222-S275 PolarHBondContact N-OG 2.79Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.4Å
276	G	92.1	Very high	97	Very high	66 Å²	66	34.4 Å²	34.4	68%	0.68	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-7.1	-176.4	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.35Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.1Å; G276-E278 PolarHBondContact N-OE2 3.48Å
277	E	95.8	Very high	96.9	Very high	53 Å²	53	32.9 Å²	32.9	25%	0.248	18%	0.181	C	C	.	.			trans	-100.3	3.9	176.4	-65.2	-158.7	-152.1	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.08Å; R243-E277 IonicContact NE-OE2 3Å; R243-E277 IonicContact NH2-OE1 3.84Å; R243-E277 IonicContact NH2-OE2 3.53Å; R243-E277 PolarHBondContact NH2-OE2 2.91Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.19Å; P274-E277 PolarHBondContact O-N 3.3Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.19Å; E277-R280 WeakPolarHBondContact O-CB 3.47Å; E277-R280 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-NH1 3.5Å; E277-R280 IonicContact OE2-CZ 2.78Å; E277-R280 IonicContact OE2-NE 2.7Å; E277-R280 IonicContact OE2-NH1 3.52Å; E277-R280 PolarHBondContact OE2-NH1 3.16Å; E277-Y281 HydrophobicContact CB-CE2 4.43Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å
278	E	95.3	Very high	96.6	Very high	19 Å²	19	35.7 Å²	35.7	9%	0.089	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.8	-170.9	-57.7	80.9	-177.5	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.56Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.5Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.4Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.1Å; G276-E278 PolarHBondContact N-OE2 3.48Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.32Å; E278-Y281 PolarHBondContact O-N 3.44Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	95.4	Very high	96.4	Very high	95 Å²	95	35.4 Å²	35.4	44%	0.444	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-72.4	-16.3	-178.9	-62.9	-56.7	-45.7	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.19Å; Q279-R297 PolarHBondContact O-NE 3.44Å; Q279-W298 PolarHBondContact NE2-O 2.7Å
280	R	97	Very high	96.3	Very high	101 Å²	101	36.7 Å²	36.7	38%	0.381	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-75.6	-17.6	173.1	-63.3	174.6	68.2	177.7	6	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.42Å; R243-R280 HydrophobicContact CG-CB 4.35Å; D244-R280 PolarHBondContact N-O 2.98Å; D244-R280 IonicContact OD1-NE 3.82Å; D244-R280 PolarHBondContact OD1-NE 3.02Å; D244-R280 IonicContact OD2-CZ 3.4Å; D244-R280 IonicContact OD2-NE 2.73Å; D244-R280 PolarHBondContact OD2-NE 3.22Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 2.89Å; E277-R280 WeakPolarHBondContact O-CB 3.47Å; E277-R280 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-NH1 3.5Å; E277-R280 IonicContact OE2-CZ 2.78Å; E277-R280 IonicContact OE2-NE 2.7Å; E277-R280 IonicContact OE2-NH1 3.52Å; E277-R280 PolarHBondContact OE2-NH1 3.16Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.32Å
281	Y	97.8	Very high	96	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.2	-177.6	-68.9	-100	0	0	0	111	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.45Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.47Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.37Å; V271-Y281 HydrophobicContact CG2-CD1 4.44Å; V271-Y281 HydrophobicContact CG2-CE1 4.06Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.43Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å; E278-Y281 PolarHBondContact O-N 3.44Å
282	T	98.1	Very high	95.8	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.6	174.5	51.8	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 2.86Å; Q242-T282 PolarHBondContact O-N 3.07Å; T282-H284 PolarHBondContact OG1-NE2 3.49Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 VanDerWaalsContact CA-O 3.28Å; T282-L296 WeakPolarHBondContact CA-O 3.11Å; T282-R297 HydrophobicContact CG2-CG 3.64Å
283	C	98.2	Very high	95.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.1	169	175	0	0	0	0	109.7	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.45Å; C227-C283 WeakPolarHBondContact SG-CB 3.45Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.02Å; T240-C283 CarbonylContact O-C 3.52Å; T240-C283 WeakPolarHBondContact O-CA 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; C283-L296 HydrophobicContact CB-CB 4.36Å; C283-L296 PolarHBondContact N-O 2.94Å; C283-L296 PolarHBondContact O-N 3.18Å
284	H	97.9	Very high	95.7	Very high	35 Å²	35	52.8 Å²	52.8	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.5	173.9	-64.4	-95.4	0	0	0	110.3	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.15Å; T240-H284 PolarHBondContact N-O 3.47Å; T240-H284 PolarHBondContact O-N 2.81Å; Q242-H284 VanDerWaalsContact CD-NE2 3.3Å; Q242-H284 PolarHBondContact OE1-NE2 2.83Å; T282-H284 PolarHBondContact OG1-NE2 3.49Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.3Å; H284-L294 WeakPolarHBondContact CA-O 3.37Å; H284-T295 PolarHBondContact CE1-OG1 3.42Å; H284-T295 PolarHBondContact ND1-OG1 3.49Å; H284-T295 VanDerWaalsContact ND1-OG1 3.12Å
285	V	98.2	Very high	95.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	-178.2	-174.1	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.92Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4Å; I237-V285 HydrophobicContact CD1-CG1 4.01Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.45Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.27Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.33Å; V285-L294 PolarHBondContact O-N 2.84Å; V285-L296 HydrophobicContact CG2-CD1 3.78Å
286	Q	97.6	Very high	95.9	Very high	75 Å²	75	53.6 Å²	53.6	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.6	174.5	-52.3	179.2	21.6	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.02Å; T238-Q286 PolarHBondContact N-O 3Å; T238-Q286 PolarHBondContact O-N 2.65Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.15Å
287	H	96.1	Very high	96.2	Very high	11 Å²	11	57.4 Å²	57.4	5%	0.051	29%	0.288	C	S	.	.			trans	-158.7	147.9	-177.7	-174.2	-98.8	0	0	0	109.6	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.42Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å; P209-H287 HydrophobicContact CG-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.72Å; Y233-H287 PolarHBondContact O-CE1 3.43Å; P234-H287 PolarHBondContact O-NE2 2.91Å; E236-H287 PolarHBondContact O-CD2 2.89Å; I237-H287 HydrophobicContact CD1-CB 4.35Å; I237-H287 HydrophobicContact CG1-CB 4.11Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.07Å; H287-G289 PolarHBondContact O-N 3.17Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 2.88Å
288	E	92.9	Very high	96.2	Very high	77 Å²	77	57.1 Å²	57.1	36%	0.36	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-38.2	-179.2	-160.1	-174.1	153.3	0	0	112.9	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CG 4.46Å; W23-E288 HydrophobicContact CE3-CB 3.81Å; W23-E288 HydrophobicContact CZ3-CB 4.39Å; A206-E288 HydrophobicContact CB-CB 4.29Å; A206-E288 HydrophobicContact CB-CG 4.46Å; P234-E288 WeakPolarHBondContact CG-OE2 3.48Å; E288-L290 PolarHBondContact O-N 3.17Å
289	G	93.4	Very high	95.9	Very high	20 Å²	20	64.1 Å²	64.1	21%	0.206	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.8	-179.2	0	0	0	0	0	113.6	P208 H287	P208-G289 WeakPolarHBondContact CB-O 3.49Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.07Å; H287-G289 PolarHBondContact O-N 3.17Å
290	L	95.1	Very high	95.3	Very high	26 Å²	26	63.4 Å²	63.4	14%	0.136	32%	0.321	C	S	.	.			trans	-96.2	124.7	179.1	-65.6	171.4	0	0	0	110.7	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.84Å; P208-L290 HydrophobicContact CB-CG 4.38Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.24Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 2.88Å; E288-L290 PolarHBondContact O-N 3.17Å; L290-K292 WeakPolarHBondContact CB-O 3.38Å; L290-K292 PolarHBondContact O-N 3.39Å; L290-K292 VanDerWaalsContact O-N 3.15Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CD2 4.5Å; L290-L294 HydrophobicContact CD2-CG 3.95Å
291	P	93.1	Very high	93.7	Very high	137 Å²	137	63.5 Å²	63.5	89%	0.89	34%	0.337	S	S	*	.	S	Bend	trans	-66.3	-20.2	177.1	27.9	-35.4	0	0	0	112.9
292	K	93.3	Very high	91.3	Very high	151 Å²	151	68.5 Å²	68.5	66%	0.657	37%	0.373	S	S	*	.	S	Bend	trans	-151.7	150.7	172.2	60.6	-179.4	179.8	178	0	109.2	L290	L290-K292 WeakPolarHBondContact CB-O 3.38Å; L290-K292 PolarHBondContact O-N 3.39Å; L290-K292 VanDerWaalsContact O-N 3.15Å
293	P	95.8	Very high	88.8	Confident	72 Å²	72	76.1 Å²	76.1	47%	0.468	41%	0.408	S	S	.	.			trans	-51.7	142.7	172.4	-28	36.2	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.27Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.15Å
294	L	96.9	Very high	86.1	Confident	54 Å²	54	80.5 Å²	80.5	28%	0.283	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	140.8	174.4	-62.9	178.5	0	0	0	110	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.4Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.3Å; H284-L294 WeakPolarHBondContact CA-O 3.37Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.33Å; V285-L294 PolarHBondContact O-N 2.84Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CD2 4.5Å; L290-L294 HydrophobicContact CD2-CG 3.95Å; L294-L296 HydrophobicContact CB-CD1 4.07Å
295	T	97.8	Very high	83.7	Confident	86 Å²	86	84.9 Å²	84.9	53%	0.528	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.4	170.3	-54.1	0	0	0	0	108.2	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; H284-T295 PolarHBondContact CE1-OG1 3.42Å; H284-T295 PolarHBondContact ND1-OG1 3.49Å; H284-T295 VanDerWaalsContact ND1-OG1 3.12Å
296	L	97.2	Very high	81.5	Confident	30 Å²	30	88.4 Å²	88.4	16%	0.157	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.2	-178.8	-61.2	99.1	0	0	0	110.7	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.48Å; V213-L296 HydrophobicContact CG2-CB 3.82Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 VanDerWaalsContact CA-O 3.28Å; T282-L296 WeakPolarHBondContact CA-O 3.11Å; C283-L296 HydrophobicContact CB-CB 4.36Å; C283-L296 PolarHBondContact N-O 2.94Å; C283-L296 PolarHBondContact O-N 3.18Å; V285-L296 HydrophobicContact CG2-CD1 3.78Å; L294-L296 HydrophobicContact CB-CD1 4.07Å
297	R	96.3	Very high	79.4	Confident	145 Å²	145	88.8 Å²	88.8	55%	0.547	50%	0.498	S	S	.	.			trans	-114.8	162.7	164.1	-71.2	-171.4	175.5	116.3	3	109.2	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.44Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; R297-E299 PolarHBondContact O-N 3.49Å
298	W	96.1	Very high	77.7	Confident	47 Å²	47	94.1 Å²	94.1	18%	0.178	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-69.5	121.7	166.9	171.2	57.1	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 3.95Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact ND1-CZ2 3.91Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 2.7Å; W298-P300 HydrophobicContact CE3-CG 4.36Å; W298-P300 HydrophobicContact CH2-CB 4.19Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å
299	E	90.1	Very high	76.1	Confident	166 Å²	166	96.2 Å²	96.2	78%	0.776	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-99.1	118.4	168.9	-70.7	-178.1	175.8	0	0	108.5	R297 S301	R297-E299 PolarHBondContact O-N 3.49Å; E299-S301 PolarHBondContact O-N 3.02Å; E299-S301 VanDerWaalsContact O-N 3.1Å
300	P	83	Confident	74.8	Confident	80 Å²	80	97.3 Å²	97.3	52%	0.519	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-57.2	120.8	171.1	-18.8	29.4	0	0	0	107.7	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.36Å; W298-P300 HydrophobicContact CH2-CB 4.19Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å; P300-S302 PolarHBondContact O-N 3.32Å
301	S	63.3	Low	73.7	Confident	103 Å²	103	100.7 Å²	100.7	72%	0.72	57%	0.572	S	S	*	*			trans	-52	114	179.8	48.8	0	0	0	0	108.8	E299 Q303	E299-S301 PolarHBondContact O-N 3.02Å; E299-S301 VanDerWaalsContact O-N 3.1Å; S301-Q303 PolarHBondContact O-N 3.01Å
302	S	47.4	Very low	72.8	Confident	112 Å²	112	98.4 Å²	98.4	78%	0.783	56%	0.556	S	S	*	*			trans	-69	77.2	161.2	61.6	0	0	0	0	106.2	P300 S304	P300-S302 PolarHBondContact O-N 3.32Å; S302-S304 PolarHBondContact O-N 3.03Å
303	Q	45.2	Very low	71.9	Confident	172 Å²	172	93.7 Å²	93.7	80%	0.804	55%	0.545	S	S	*	.			trans	-59.3	89	147.6	-86.1	-172.7	-10.6	0	0	103.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.01Å; Q303-T305 PolarHBondContact O-N 3.44Å; Q303-T305 PolarHBondContact O-OG1 2.83Å
304	S	41.2	Very low	71.2	Confident	92 Å²	92	92 Å²	92	64%	0.643	54%	0.54	S	S	*	.			trans	-49.6	103.3	166.9	178.8	0	0	0	0	103.7	S302 V306	S302-S304 PolarHBondContact O-N 3.03Å; S304-V306 PolarHBondContact O-N 3.26Å
305	T	47.4	Very low	70.6	Confident	127 Å²	127	94.6 Å²	94.6	78%	0.779	55%	0.554	S	S	*	*			trans	-70.6	72.9	163	-45.9	0	0	0	0	102.8	Q303 P307	Q303-T305 PolarHBondContact O-N 3.44Å; Q303-T305 PolarHBondContact O-OG1 2.83Å; T305-P307 WeakPolarHBondContact O-CD 3.08Å
306	V	52.2	Low	69.9	Low	74 Å²	74	93 Å²	93	45%	0.448	55%	0.55	S	S	.	.			trans	-46.1	118.6	156.6	177.7	0	0	0	0	102.3	S304 I308 I311	S304-V306 PolarHBondContact O-N 3.26Å; V306-I308 PolarHBondContact O-N 3.22Å; V306-I311 HydrophobicContact CG1-CD1 4Å
307	P	54.6	Low	69.3	Low	82 Å²	82	96 Å²	96	53%	0.532	57%	0.569	S	S	.	*			trans	-70.9	86.6	-170.7	27.8	-32.4	0	0	0	106	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.08Å; P307-V309 PolarHBondContact O-N 3.22Å; P307-V309 VanDerWaalsContact O-N 3.15Å; P307-G310 WeakPolarHBondContact O-CA 3.33Å; P307-G310 PolarHBondContact O-N 3.48Å; P307-I311 PolarHBondContact O-N 3.38Å; P307-I311 VanDerWaalsContact O-N 3.13Å
308	I	59.4	Low	68.8	Low	124 Å²	124	94.3 Å²	94.3	64%	0.636	57%	0.57	S	S	*	*	H	α-helix	trans	-54.3	-34	174.1	-69.8	161.7	0	0	0	107.5	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 3.22Å; I308-G310 PolarHBondContact O-N 2.68Å; I308-I311 PolarHBondContact O-N 2.82Å; I308-V312 HydrophobicContact CG2-CG2 4.21Å; I308-V312 WeakPolarHBondContact O-CB 3.49Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3.13Å
309	V	58.9	Low	68.2	Low	121 Å²	121	94.4 Å²	94.4	73%	0.733	58%	0.581	S	S	*	*	H	α-helix	trans	-58.4	-42.1	170.6	-176.4	0	0	0	0	112.8	P307 A313	P307-V309 PolarHBondContact O-N 3.22Å; P307-V309 VanDerWaalsContact O-N 3.15Å; V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 3.34Å
310	G	65.9	Low	68	Low	43 Å²	43	91.5 Å²	91.5	44%	0.443	57%	0.574	S	S	.	*	H	α-helix	trans	-68.8	-38.9	178.6	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.33Å; P307-G310 PolarHBondContact O-N 3.48Å; I308-G310 PolarHBondContact O-N 2.68Å; G310-G314 PolarHBondContact O-N 3.49Å
311	I	72.3	Confident	68.1	Low	97 Å²	97	92 Å²	92	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-69.2	-44	175.8	-61.7	174.5	0	0	0	110.5	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 4Å; P307-I311 PolarHBondContact O-N 3.38Å; P307-I311 VanDerWaalsContact O-N 3.13Å; I308-I311 PolarHBondContact O-N 2.82Å; I311-G314 PolarHBondContact O-N 2.88Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.24Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 3.27Å
312	V	74.7	Confident	69.2	Low	89 Å²	89	91 Å²	91	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-42.9	178.1	172.3	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.21Å; I308-V312 WeakPolarHBondContact O-CB 3.49Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3.13Å; V312-L315 PolarHBondContact O-N 3.11Å; V312-A316 WeakPolarHBondContact O-CB 3.46Å; V312-A316 PolarHBondContact O-N 3.5Å
313	A	75	Confident	70.9	Confident	52 Å²	52	90.9 Å²	90.9	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-63	-43.7	174.9	0	0	0	0	0	111.7	V309 L315 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 3.34Å; A313-L315 PolarHBondContact O-N 2.77Å; A313-A316 PolarHBondContact O-N 3.23Å; A313-V317 WeakPolarHBondContact O-CG2 3.45Å; A313-V317 PolarHBondContact O-N 3.24Å
314	G	80.2	Confident	72.7	Confident	35 Å²	35	84.7 Å²	84.7	36%	0.361	54%	0.536	S	S	.	.	H	α-helix	trans	-60.6	-44.8	176.4	0	0	0	0	0	112.8	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.49Å; I311-G314 PolarHBondContact O-N 2.88Å; G314-V317 PolarHBondContact O-N 3.09Å; G314-L318 WeakPolarHBondContact O-CB 3.5Å; G314-L318 PolarHBondContact O-N 2.92Å
315	L	84.7	Confident	74.6	Confident	110 Å²	110	83.1 Å²	83.1	58%	0.576	53%	0.529	S	S	*	.	H	α-helix	trans	-66.4	-38.5	177	-73	171.7	0	0	0	112.5	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.24Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 3.27Å; V312-L315 PolarHBondContact O-N 3.11Å; A313-L315 PolarHBondContact O-N 2.77Å; L315-L318 PolarHBondContact O-N 3.23Å; L315-A319 WeakPolarHBondContact O-CB 3.24Å; L315-A319 PolarHBondContact O-N 3.3Å
316	A	83.3	Confident	76.3	Confident	53 Å²	53	81 Å²	81	44%	0.438	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-43.3	176.5	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.46Å; V312-A316 PolarHBondContact O-N 3.5Å; A313-A316 PolarHBondContact O-N 3.23Å; A316-A319 PolarHBondContact O-N 3.35Å; A316-V320 WeakPolarHBondContact O-CG2 3.2Å; A316-V320 PolarHBondContact O-N 3.16Å
317	V	84.4	Confident	77.7	Confident	93 Å²	93	81.2 Å²	81.2	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-63.8	-44.7	175.9	175.5	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.45Å; A313-V317 PolarHBondContact O-N 3.24Å; G314-V317 PolarHBondContact O-N 3.09Å; V317-A319 VanDerWaalsContact C-N 3.33Å; V317-A319 PolarHBondContact O-N 2.83Å; V317-V320 PolarHBondContact O-N 3.18Å; V317-V321 HydrophobicContact CG1-CG2 4.37Å; V317-V321 WeakPolarHBondContact O-CG2 3.41Å; V317-V321 PolarHBondContact O-N 2.89Å
318	L	85.3	Confident	78.7	Confident	108 Å²	108	79.8 Å²	79.8	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-58.1	-44.3	175.7	-102.5	156.6	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.5Å; G314-L318 PolarHBondContact O-N 2.92Å; L315-L318 PolarHBondContact O-N 3.23Å; L318-V320 PolarHBondContact O-N 3.09Å; L318-V321 PolarHBondContact O-N 3.4Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.44Å; L318-V322 PolarHBondContact O-N 3.02Å
319	A	84.1	Confident	79.5	Confident	50 Å²	50	76.4 Å²	76.4	41%	0.413	50%	0.503	S	S	.	.	H	α-helix	trans	-61.4	-43.7	177.3	0	0	0	0	0	112.1	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.24Å; L315-A319 PolarHBondContact O-N 3.3Å; A316-A319 PolarHBondContact O-N 3.35Å; V317-A319 VanDerWaalsContact C-N 3.33Å; V317-A319 PolarHBondContact O-N 2.83Å; A319-V322 PolarHBondContact O-N 3.11Å; A319-I323 WeakPolarHBondContact O-CB 3.45Å; A319-I323 WeakPolarHBondContact O-CD1 3.21Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.02Å; A319-I323 PolarHBondContact O-N 3Å
320	V	84.9	Confident	80.2	Confident	105 Å²	105	74.6 Å²	74.6	64%	0.636	49%	0.492	S	S	*	.	H	α-helix	trans	-63.7	-42.3	177.2	173.6	0	0	0	0	111.3	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.2Å; A316-V320 PolarHBondContact O-N 3.16Å; V317-V320 PolarHBondContact O-N 3.18Å; L318-V320 PolarHBondContact O-N 3.09Å; V320-I323 PolarHBondContact O-N 2.83Å; V320-G324 PolarHBondContact O-N 2.93Å
321	V	86.6	Confident	80.6	Confident	91 Å²	91	78.7 Å²	78.7	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-63.5	-44.2	177.6	172.1	0	0	0	0	111.1	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.37Å; V317-V321 WeakPolarHBondContact O-CG2 3.41Å; V317-V321 PolarHBondContact O-N 2.89Å; L318-V321 PolarHBondContact O-N 3.4Å; V321-G324 PolarHBondContact O-N 2.78Å; V321-A325 WeakPolarHBondContact O-CB 3.32Å; V321-A325 PolarHBondContact O-N 3.37Å
322	V	84.7	Confident	80.3	Confident	82 Å²	82	78.4 Å²	78.4	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-45.2	178.3	172.3	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.44Å; L318-V322 PolarHBondContact O-N 3.02Å; A319-V322 PolarHBondContact O-N 3.11Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.46Å; V322-A325 PolarHBondContact O-N 2.93Å; V322-V326 HydrophobicContact CG1-CG2 4.41Å; V322-V326 VanDerWaalsContact O-CG2 3.28Å; V322-V326 WeakPolarHBondContact O-CG2 3.35Å; V322-V326 PolarHBondContact O-N 3.13Å
323	I	83.5	Confident	79.8	Confident	109 Å²	109	83.5 Å²	83.5	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-61	-45.1	176.3	-67.5	165.4	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.45Å; A319-I323 WeakPolarHBondContact O-CD1 3.21Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.02Å; A319-I323 PolarHBondContact O-N 3Å; V320-I323 PolarHBondContact O-N 2.83Å; I323-A325 PolarHBondContact O-N 3.25Å; I323-V326 PolarHBondContact O-N 3.14Å; I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.29Å; I323-V327 WeakPolarHBondContact O-CG2 3.32Å; I323-V327 PolarHBondContact O-N 3.21Å
324	G	83.3	Confident	79	Confident	41 Å²	41	91 Å²	91	42%	0.423	53%	0.533	S	S	.	.	H	α-helix	trans	-59	-44.5	176.2	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.93Å; V321-G324 PolarHBondContact O-N 2.78Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.46Å; G324-V327 PolarHBondContact O-N 2.87Å; G324-A328 WeakPolarHBondContact O-CB 3.13Å; G324-A328 PolarHBondContact O-N 2.99Å
325	A	81.8	Confident	77.7	Confident	60 Å²	60	98.4 Å²	98.4	50%	0.496	56%	0.556	S	S	.	*	H	α-helix	trans	-65	-41.3	177.4	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.32Å; V321-A325 PolarHBondContact O-N 3.37Å; V322-A325 PolarHBondContact O-N 2.93Å; I323-A325 PolarHBondContact O-N 3.25Å; A325-A328 PolarHBondContact O-N 3.07Å; A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.43Å; A325-A329 PolarHBondContact O-N 2.83Å
326	V	82.8	Confident	76.2	Confident	83 Å²	83	97.7 Å²	97.7	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-45.4	176.2	171.8	0	0	0	0	110.8	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.41Å; V322-V326 VanDerWaalsContact O-CG2 3.28Å; V322-V326 WeakPolarHBondContact O-CG2 3.35Å; V322-V326 PolarHBondContact O-N 3.13Å; I323-V326 PolarHBondContact O-N 3.14Å; V326-A328 PolarHBondContact O-N 3.33Å; V326-A329 PolarHBondContact O-N 2.71Å; V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.44Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.17Å; V326-V330 PolarHBondContact O-N 3.49Å
327	V	80.6	Confident	74.7	Confident	77 Å²	77	99.9 Å²	99.9	47%	0.467	57%	0.572	S	S	.	*	H	α-helix	trans	-61.7	-45	177	172.2	0	0	0	0	110.8	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.29Å; I323-V327 WeakPolarHBondContact O-CG2 3.32Å; I323-V327 PolarHBondContact O-N 3.21Å; G324-V327 PolarHBondContact O-N 2.87Å; V327-A329 PolarHBondContact O-N 3Å; V327-V330 PolarHBondContact O-N 2.91Å; V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.21Å; V327-M331 WeakPolarHBondContact O-CB 3.12Å; V327-M331 WeakPolarHBondContact O-CG 3.39Å; V327-M331 PolarHBondContact O-N 3.49Å
328	A	76.3	Confident	72.9	Confident	52 Å²	52	98.9 Å²	98.9	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-61.4	-43.8	176.2	0	0	0	0	0	112.1	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.13Å; G324-A328 PolarHBondContact O-N 2.99Å; A325-A328 PolarHBondContact O-N 3.07Å; V326-A328 PolarHBondContact O-N 3.33Å; A328-M331 PolarHBondContact O-N 2.95Å; A328-C332 WeakPolarHBondContact O-CB 3.4Å; A328-C332 PolarHBondContact O-N 3.21Å; A328-C332 PolarHBondContact O-SG 2.91Å; A328-C332 VanDerWaalsContact O-SG 3.41Å
329	A	75.8	Confident	70.6	Confident	54 Å²	54	97.4 Å²	97.4	45%	0.446	59%	0.592	S	S	.	*	H	α-helix	trans	-64	-40.9	176.8	0	0	0	0	0	112.4	A325 V326 V327 C332 R333	A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.43Å; A325-A329 PolarHBondContact O-N 2.83Å; V326-A329 PolarHBondContact O-N 2.71Å; V327-A329 PolarHBondContact O-N 3Å; A329-C332 PolarHBondContact O-N 3.09Å; A329-R333 WeakPolarHBondContact O-CB 3.41Å; A329-R333 PolarHBondContact O-N 2.95Å
330	V	74.6	Confident	68.4	Low	82 Å²	82	105.5 Å²	105.5	50%	0.497	62%	0.618	S	S	.	*	H	α-helix	trans	-66.3	-41.2	175.9	170.8	0	0	0	0	111.1	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.44Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.17Å; V326-V330 PolarHBondContact O-N 3.49Å; V327-V330 PolarHBondContact O-N 2.91Å; V330-R333 PolarHBondContact O-N 3.42Å; V330-R334 WeakPolarHBondContact O-CB 3.45Å; V330-R334 PolarHBondContact O-N 3.41Å
331	M	73.3	Confident	66	Low	130 Å²	130	104.1 Å²	104.1	64%	0.64	63%	0.625	S	S	*	*	H	α-helix	trans	-65.3	-41.5	175	-73.7	-175	69.5	0	0	112.2	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.21Å; V327-M331 WeakPolarHBondContact O-CB 3.12Å; V327-M331 WeakPolarHBondContact O-CG 3.39Å; V327-M331 PolarHBondContact O-N 3.49Å; A328-M331 PolarHBondContact O-N 2.95Å; M331-R334 PolarHBondContact O-N 3.41Å; M331-K335 WeakPolarHBondContact O-CB 3.37Å; M331-K335 PolarHBondContact O-N 3.03Å
332	C	67	Low	63.4	Low	90 Å²	90	103.7 Å²	103.7	61%	0.608	64%	0.639	S	S	*	*	H	α-helix	trans	-61.7	-41.6	173.3	-77.3	0	0	0	0	111.9	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.4Å; A328-C332 PolarHBondContact O-N 3.21Å; A328-C332 PolarHBondContact O-SG 2.91Å; A328-C332 VanDerWaalsContact O-SG 3.41Å; A329-C332 PolarHBondContact O-N 3.09Å; C332-K335 PolarHBondContact O-N 3.3Å; C332-S336 PolarHBondContact O-N 3.01Å; C332-S336 VanDerWaalsContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 2.72Å
333	R	64.3	Low	60.9	Low	197 Å²	197	104.5 Å²	104.5	74%	0.743	65%	0.648	S	S	*	*	H	α-helix	trans	-67.8	-35.7	175.1	-81.5	-173.3	162.1	-179.8	-3.7	113.4	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.41Å; A329-R333 PolarHBondContact O-N 2.95Å; V330-R333 PolarHBondContact O-N 3.42Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-S336 PolarHBondContact O-N 3.37Å; R333-S336 PolarHBondContact O-OG 3.06Å; R333-S337 PolarHBondContact O-N 3.15Å; R333-S337 PolarHBondContact O-OG 3.31Å
334	R	57.4	Low	58.5	Low	209 Å²	209	109.4 Å²	109.4	79%	0.789	66%	0.661	S	S	*	*	H	α-helix	trans	-68.6	-29.4	173.3	-108.7	-177.5	170.3	178	-2.2	112.6	V330 M331	V330-R334 WeakPolarHBondContact O-CB 3.45Å; V330-R334 PolarHBondContact O-N 3.41Å; M331-R334 PolarHBondContact O-N 3.41Å
335	K	53.3	Low	56.1	Low	190 Å²	190	112.2 Å²	112.2	83%	0.826	67%	0.674	S	S	*	*	H	α-helix	trans	-79.2	-23.8	177.2	-161.9	170.9	-178.6	179.3	0	112.9	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.37Å; M331-K335 PolarHBondContact O-N 3.03Å; C332-K335 PolarHBondContact O-N 3.3Å; R333-K335 VanDerWaalsContact C-N 3.3Å
336	S	53.7	Low	53.9	Low	96 Å²	96	118.2 Å²	118.2	67%	0.671	69%	0.691	S	S	*	*	H	α-helix	trans	-94	-7.6	177.8	58	0	0	0	0	115.1	C332 R333	C332-S336 PolarHBondContact O-N 3.01Å; C332-S336 VanDerWaalsContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 2.72Å; R333-S336 PolarHBondContact O-N 3.37Å; R333-S336 PolarHBondContact O-OG 3.06Å
337	S	50.2	Low	51.6	Low	98 Å²	98	118.5 Å²	118.5	69%	0.685	70%	0.702	S	S	*	*	S	Bend	trans	-97.3	20.1	-179.5	73.3	0	0	0	0	115	R333	R333-S337 PolarHBondContact O-N 3.15Å; R333-S337 PolarHBondContact O-OG 3.31Å
338	G	47.1	Very low	49.3	Very low	73 Å²	73	119.5 Å²	119.5	75%	0.753	72%	0.719	S	S	*	*	S	Bend	trans	-127.5	76.3	175.9	0	0	0	0	0	112.1
339	G	38.4	Very low	47.2	Very low	77 Å²	77	122.4 Å²	122.4	79%	0.794	74%	0.735	S	S	*	*			trans	166.7	82.1	175.5	0	0	0	0	0	116.4
340	K	37.4	Very low	45.3	Very low	220 Å²	220	125.7 Å²	125.7	96%	0.957	75%	0.754	S	S	*	*			trans	-8.4	139.7	157.8	-111.4	160.2	174.8	170.1	0	120.5
341	G	34.7	Very low	43.6	Very low	76 Å²	76	129 Å²	129	78%	0.784	77%	0.769	S	S	*	*				125.7	112.2	114.4	0	0	0	0	0	119.6
342	G	31.7	Very low	42.1	Very low	82 Å²	82	128.8 Å²	128.8	85%	0.845	78%	0.781	S	S	*	*			trans	54	159.9	145.1	0	0	0	0	0	120.2
343	S	32	Very low	40.8	Very low	98 Å²	98	128.9 Å²	128.9	69%	0.685	79%	0.788	S	S	*	*			cis	176.3	135	-6.1	161.6	0	0	0	0	106.3
344	Y	32.6	Very low	39.6	Very low	213 Å²	213	129 Å²	129	84%	0.835	80%	0.797	S	S	*	*			trans	60.8	143.9	156.9	-85.9	-101.1	0	0	0	118.6
345	S	34.3	Very low	38.5	Very low	99 Å²	99	122 Å²	122	69%	0.692	79%	0.79	S	S	*	*			cis	-157.1	143.9	26.1	-42.2	0	0	0	0	109.1
346	Q	34.8	Very low	37.8	Very low	186 Å²	186	118.5 Å²	118.5	87%	0.869	79%	0.789	S	S	*	*				50.8	132.8	97.2	-155.7	174.4	9.5	0	0	115.1
347	A	33.8	Very low	37.2	Very low	89 Å²	89	120.9 Å²	120.9	74%	0.736	79%	0.794	S	S	*	*			cis	-164.7	163.9	-4.6	0	0	0	0	0	108.2
348	A	32.3	Very low	36.7	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	79%	0.794	S	S	*	*				163.7	103.4	124.4	0	0	0	0	0	112.9
349	C	32.1	Very low	36.5	Very low	114 Å²	114	122.8 Å²	122.8	77%	0.77	79%	0.791	S	S	*	*			trans	21.8	125.4	132.1	-141.9	0	0	0	0	120.9
350	S	36.6	Very low	36.6	Very low	122 Å²	122	127.1 Å²	127.1	85%	0.853	80%	0.795	S	S	*	*				-160.9	118.5	119.6	-0.8	0	0	0	0	110.5
351	D	38.6	Very low	36.8	Very low	151 Å²	151	123 Å²	123	81%	0.807	79%	0.789	S	S	*	*			trans	-74.8	147.8	165.1	-90.3	-39.3	0	0	0	111
352	S	42.1	Very low	37.4	Very low	126 Å²	126	127.7 Å²	127.7	88%	0.881	82%	0.821	S	S	*	*			trans	-162.4	114.1	143	-70.5	0	0	0	0	109.2
353	A	38.8	Very low	37.6	Very low	92 Å²	92	130 Å²	130	76%	0.76	82%	0.819	S	S	*	*			trans	-75.8	154.3	177.2	0	0	0	0	0	112.7
354	Q	38.8	Very low	37.9	Very low	201 Å²	201	131.7 Å²	131.7	94%	0.939	83%	0.826	S	S	*	*				171.9	141.3	121.5	-102.4	177.6	-16.7	0	0	113.6
355	G	34.7	Very low	38.2	Very low	62 Å²	62	127.2 Å²	127.2	64%	0.639	83%	0.826	S	S	*	*			trans	100.8	94.8	155.7	0	0	0	0	0	113.7
356	S	40.3	Very low	38.5	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	83%	0.834	S	S	*	*				60.1	129.4	74.9	-52.2	0	0	0	0	111
357	D	40.2	Very low	38.7	Very low	146 Å²	146	125.3 Å²	125.3	78%	0.781	83%	0.831	S	S	*	*			cis	-176.2	166.6	1.9	-135.4	-28.7	0	0	0	107.8
358	V	39	Very low	39	Very low	111 Å²	111	127.7 Å²	127.7	67%	0.673	84%	0.838	S	S	*	*			trans	78	102.5	150.1	-179.2	0	0	0	0	121
359	S	43.7	Very low	39.5	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	84%	0.84	S	S	*	*				32.7	133.4	115.1	-32.5	0	0	0	0	122
360	L	39.6	Very low	40.1	Very low	168 Å²	168	131 Å²	131	88%	0.88	85%	0.845	S	S	*	*				-173.6	122.6	111.1	-101.3	155.6	0	0	0	112.1
361	T	43	Very low	40.4	Very low	133 Å²	133	131.8 Å²	131.8	82%	0.816	85%	0.845	S	S	*	*			trans	-82	137.7	150.1	31.2	0	0	0	0	109.9
362	A	45.9	Very low	40.5	Very low	176 Å²	176	130 Å²	130	100%	1.455	85%	0.848	S	S	*	*			trans	-178.9	0	134.2	0	0	0	0	0	109.1

Retrieved 362 of 362 residues in 79.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).