A0A077B7N4_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A077B7N4, 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	35.2	Very low	45.4	Very low	241 Å²	241	140.2 Å²	140.2	100%	1.187	72%	0.719	S	S	*	*				0	120.8	0	-70.5	157.8	173.9	0	0	108.2
2	R	35.9	Very low	45.5	Very low	247 Å²	247	139.3 Å²	139.3	93%	0.932	72%	0.716	S	S	*	*			trans	-108.8	111.5	168.8	-87	-177.7	171.9	166.4	-2.7	107.2	T4	R2-T4 PolarHBondContact O-N 3.3Å
3	V	39.4	Very low	45.2	Very low	140 Å²	140	136.4 Å²	136.4	85%	0.848	70%	0.701	S	S	*	*			trans	-81.7	102.6	174.4	179.8	0	0	0	0	107.6	A5	V3-A5 PolarHBondContact O-N 3.29Å
4	T	47.1	Very low	44.8	Very low	129 Å²	129	140.7 Å²	140.7	79%	0.791	71%	0.705	S	S	*	*			trans	-77.3	102.5	169.6	44.7	0	0	0	0	109	R2	R2-T4 PolarHBondContact O-N 3.3Å
5	A	46.1	Very low	44.4	Very low	65 Å²	65	134.1 Å²	134.1	54%	0.537	69%	0.686	S	S	.	*			trans	-60	139.1	168.6	0	0	0	0	0	110	V3	V3-A5 PolarHBondContact O-N 3.29Å
6	P	49.3	Very low	44	Very low	72 Å²	72	128.9 Å²	128.9	47%	0.468	67%	0.67	S	S	.	*			trans	-69.8	134.6	-177.4	27.8	-32.7	0	0	0	110.5	T8 L9	P6-T8 PolarHBondContact O-N 2.93Å; P6-L9 HydrophobicContact CG-CB 4.35Å; P6-L9 HydrophobicContact CG-CD1 4.02Å; P6-L9 PolarHBondContact O-N 3.45Å
7	R	51.6	Low	43.7	Very low	228 Å²	228	126.2 Å²	126.2	86%	0.86	66%	0.66	S	S	*	*	H	α-helix	trans	-53.6	-25.7	-178.9	-94.6	178.2	155.2	124.6	-6.8	114.1	L11	R7-L11 PolarHBondContact O-N 3.01Å
8	T	50.1	Low	43.3	Very low	95 Å²	95	123.2 Å²	123.2	58%	0.583	66%	0.656	S	S	*	*	H	α-helix	trans	-67.4	-30.9	175.5	45.3	0	0	0	0	113.8	P6 L12	P6-T8 PolarHBondContact O-N 2.93Å; T8-L12 PolarHBondContact O-N 3.25Å
9	L	45.5	Very low	43	Very low	100 Å²	100	124.8 Å²	124.8	52%	0.524	66%	0.664	S	S	.	*	H	α-helix	trans	-71.8	-35.5	177.4	-121.3	106	0	0	0	112.2	P6 L13	P6-L9 HydrophobicContact CG-CB 4.35Å; P6-L9 HydrophobicContact CG-CD1 4.02Å; P6-L9 PolarHBondContact O-N 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.12Å; L9-L13 VanDerWaalsContact O-N 3.12Å
10	L	48.1	Very low	42.5	Very low	98 Å²	98	123.8 Å²	123.8	51%	0.513	66%	0.663	S	S	.	*	H	α-helix	trans	-65.4	-39.3	175.3	-100.5	87.2	0	0	0	111.9	L13 W14	L10-L13 PolarHBondContact O-N 2.94Å; L10-W14 PolarHBondContact O-N 3.3Å
11	L	50.9	Low	42.3	Very low	127 Å²	127	125 Å²	125	67%	0.665	67%	0.665	S	S	*	*	H	α-helix	trans	-68	-38.4	179.5	-72.2	167.4	0	0	0	112.3	R7 L13 W14 G15	R7-L11 PolarHBondContact O-N 3.01Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-W14 PolarHBondContact O-N 2.94Å; L11-G15 PolarHBondContact O-N 3.3Å
12	L	47.2	Very low	42.5	Very low	130 Å²	130	118 Å²	118	68%	0.681	64%	0.636	S	S	*	*	H	α-helix	trans	-65.4	-36.5	173	-73.6	168.5	0	0	0	112.2	T8 A16	T8-L12 PolarHBondContact O-N 3.25Å; L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 2.99Å
13	L	41.8	Very low	43	Very low	101 Å²	101	114.1 Å²	114.1	53%	0.529	62%	0.621	S	S	.	*	H	α-helix	trans	-67.7	-37.6	173.4	-76.1	163.9	0	0	0	112.2	L9 L10 L11 A16 V17	L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.12Å; L9-L13 VanDerWaalsContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L13-A16 PolarHBondContact O-N 3.47Å; L13-V17 WeakPolarHBondContact O-CB 3.33Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.89Å
14	W	38.7	Very low	43.7	Very low	197 Å²	197	110 Å²	110	75%	0.746	60%	0.601	S	S	*	*	H	α-helix	trans	-70.2	-38.9	176	-79.8	43.4	0	0	0	112.3	L10 L11 A16 V17 A18	L10-W14 PolarHBondContact O-N 3.3Å; L11-W14 PolarHBondContact O-N 2.94Å; W14-A16 VanDerWaalsContact C-N 3.34Å; W14-A16 PolarHBondContact O-N 2.66Å; W14-V17 PolarHBondContact O-N 2.95Å; W14-A18 WeakPolarHBondContact O-CB 3.38Å; W14-A18 PolarHBondContact O-N 2.66Å
15	G	38.4	Very low	45.1	Very low	41 Å²	41	104.5 Å²	104.5	42%	0.423	57%	0.571	S	S	.	*	H	α-helix	trans	-64.2	-36	172.5	0	0	0	0	0	113.2	L11 L19	L11-G15 PolarHBondContact O-N 3.3Å; G15-L19 PolarHBondContact O-N 2.78Å
16	A	38.8	Very low	47.3	Very low	52 Å²	52	105.3 Å²	105.3	43%	0.43	57%	0.572	S	S	.	*	H	α-helix	trans	-72.2	-39.7	173.9	0	0	0	0	0	112.6	L12 L13 W14 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 2.99Å; L13-A16 PolarHBondContact O-N 3.47Å; W14-A16 VanDerWaalsContact C-N 3.34Å; W14-A16 PolarHBondContact O-N 2.66Å; A16-L19 PolarHBondContact O-N 2.69Å; A16-T20 PolarHBondContact O-N 3.01Å; A16-T20 PolarHBondContact O-OG1 3.37Å
17	V	39.4	Very low	49.6	Very low	83 Å²	83	103.3 Å²	103.3	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-67	-40.3	178.5	168.6	0	0	0	0	111.5	L13 W14 L19 T20 E21	L13-V17 WeakPolarHBondContact O-CB 3.33Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.89Å; W14-V17 PolarHBondContact O-N 2.95Å; V17-L19 PolarHBondContact O-N 3.49Å; V17-T20 WeakPolarHBondContact CA-OG1 3.15Å; V17-T20 CarbonylContact O-C 3.48Å; V17-T20 WeakPolarHBondContact O-CA 3.38Å; V17-T20 PolarHBondContact O-N 2.96Å; V17-T20 PolarHBondContact O-OG1 2.88Å; V17-E21 PolarHBondContact O-N 3.43Å
18	A	36.7	Very low	51.8	Low	72 Å²	72	93.5 Å²	93.5	60%	0.595	52%	0.523	S	S	*	.	H	α-helix	trans	-63.8	-21.3	174.6	0	0	0	0	0	113.9	W14 T20	W14-A18 WeakPolarHBondContact O-CB 3.38Å; W14-A18 PolarHBondContact O-N 2.66Å; A18-T20 VanDerWaalsContact C-N 3.32Å
19	L	36.8	Very low	54.1	Low	154 Å²	154	89 Å²	89	81%	0.806	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	0.9	171.5	-92.5	155.9	0	0	0	113.4	G15 A16 V17	G15-L19 PolarHBondContact O-N 2.78Å; A16-L19 PolarHBondContact O-N 2.69Å; V17-L19 PolarHBondContact O-N 3.49Å
20	T	33.9	Very low	56.6	Low	104 Å²	104	86.5 Å²	86.5	64%	0.638	48%	0.479	S	S	*	.	S	Bend	trans	-128.1	10.2	-179.8	59.4	0	0	0	0	113.8	A16 V17 A18 T22	A16-T20 PolarHBondContact O-N 3.01Å; A16-T20 PolarHBondContact O-OG1 3.37Å; V17-T20 WeakPolarHBondContact CA-OG1 3.15Å; V17-T20 CarbonylContact O-C 3.48Å; V17-T20 WeakPolarHBondContact O-CA 3.38Å; V17-T20 PolarHBondContact O-N 2.96Å; V17-T20 PolarHBondContact O-OG1 2.88Å; A18-T20 VanDerWaalsContact C-N 3.32Å; T20-T22 PolarHBondContact O-N 3.49Å
21	E	37.9	Very low	59	Low	150 Å²	150	82.3 Å²	82.3	70%	0.701	46%	0.456	S	S	*	.	S	Bend	trans	-69.4	87.9	165.4	-79.3	-167.5	145.4	0	0	109.8	V17	V17-E21 PolarHBondContact O-N 3.43Å
22	T	39.2	Very low	61.3	Low	94 Å²	94	80.3 Å²	80.3	58%	0.577	44%	0.443	S	S	*	.			trans	51	83.5	148.3	57.5	0	0	0	0	116.5	T20 A24	T20-T22 PolarHBondContact O-N 3.49Å; T22-A24 PolarHBondContact O-N 2.78Å
23	W	46.1	Very low	63.8	Low	165 Å²	165	74.6 Å²	74.6	63%	0.625	41%	0.412	S	S	*	.			trans	-77.3	41.7	149.8	-72.1	31.7	0	0	0	110.8	H287 E288 L290	W23-H287 WeakPolarHBondContact CH2-O 3.28Å; W23-H287 WeakPolarHBondContact CZ3-O 3.28Å; W23-E288 HydrophobicContact CD2-CG 4.46Å; W23-E288 HydrophobicContact CE3-CG 4.03Å; W23-E288 HydrophobicContact CZ3-CB 4.5Å; W23-E288 HydrophobicContact CZ3-CG 4.44Å; W23-E288 WeakPolarHBondContact CZ3-O 3.32Å; W23-L290 WeakPolarHBondContact CH2-O 3.35Å; W23-L290 WeakPolarHBondContact CZ3-O 3.24Å
24	A	53.6	Low	66.5	Low	52 Å²	52	71.7 Å²	71.7	43%	0.43	40%	0.398	S	S	.	.	S	Bend	trans	-95.1	106.1	154.3	0	0	0	0	0	103	T22 P129	T22-A24 PolarHBondContact O-N 2.78Å; A24-P129 HydrophobicContact CB-CB 3.85Å; A24-P129 WeakPolarHBondContact O-CB 3.43Å; A24-P129 WeakPolarHBondContact O-CG 3.32Å
25	G	77.4	Confident	69.3	Low	15 Å²	15	62.3 Å²	62.3	16%	0.155	36%	0.363	C	S	.	.			trans	-59.4	147.4	-166.2	0	0	0	0	0	113.8	H27	G25-H27 PolarHBondContact O-CD2 2.48Å
26	S	92.1	Very high	72.2	Confident	81 Å²	81	62.9 Å²	62.9	57%	0.566	36%	0.355	S	S	*	.			trans	-70.8	138.1	154.5	53.7	0	0	0	0	108.8	V127	S26-V127 CarbonylContact C-O 3.57Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.49Å
27	H	96.6	Very high	75	Confident	30 Å²	30	61.1 Å²	61.1	14%	0.139	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	156.3	-178.8	-69.8	-75.4	0	0	0	111.2	G25 D53 D126 V127 L192 L196	G25-H27 PolarHBondContact O-CD2 2.48Å; H27-D53 WeakPolarHBondContact CA-OD1 3.31Å; H27-D53 IonicContact CE1-OD2 2.75Å; H27-D53 IonicContact CG-OD2 3.06Å; H27-D53 IonicContact ND1-OD1 3.36Å; H27-D53 IonicContact ND1-OD2 2.7Å; H27-D53 PolarHBondContact ND1-OD2 2.47Å; H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.41Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 3.29Å; H27-V127 PolarHBondContact O-N 2.89Å; H27-L192 HydrophobicContact CB-CD1 4.39Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å
28	S	98	Very high	77.7	Confident	23 Å²	23	60.7 Å²	60.7	16%	0.161	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.2	-177.9	63.3	0	0	0	0	111.6	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; S28-D53 PolarHBondContact N-OD1 3.25Å; S28-D53 PolarHBondContact O-N 3.2Å; S28-D53 PolarHBondContact OG-OD1 3.08Å; S28-C125 WeakPolarHBondContact CA-O 3.35Å; S28-D126 WeakPolarHBondContact CB-OD1 3.16Å
29	M	98.6	Very high	80.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118	165.3	-173.6	177.1	61.9	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 L192	M29-Y31 HydrophobicContact CE-CE2 4.02Å; M29-Y31 HydrophobicContact CG-CE2 4.27Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CB-CG2 4.45Å; M29-V52 HydrophobicContact CG-CG2 4.15Å; M29-F57 HydrophobicContact CG-CE1 4.26Å; M29-F57 HydrophobicContact CG-CZ 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.09Å; M29-G124 CarbonylContact O-C 3.6Å; M29-G124 WeakPolarHBondContact O-CA 3.45Å; M29-C125 PolarHBondContact N-O 3.47Å; M29-C125 PolarHBondContact O-N 2.94Å; M29-C188 HydrophobicContact CE-CB 4.24Å; M29-C188 WeakPolarHBondContact CE-O 3.36Å; M29-C188 VanDerWaalsContact CE-SG 3.53Å; M29-L192 HydrophobicContact CB-CB 3.98Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.06Å; M29-L192 HydrophobicContact CB-CG 4.22Å
30	R	98.6	Very high	83	Confident	47 Å²	47	56.8 Å²	56.8	18%	0.177	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.2	-175.8	-53.7	-60.1	-173.2	77.2	7.6	110.8	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CE2 3.73Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; R30-Y51 PolarHBondContact N-O 2.94Å; R30-Y51 PolarHBondContact O-N 3.48Å; R30-D126 IonicContact CZ-OD1 3.36Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 2.66Å; R30-D126 IonicContact NE-OD1 3.51Å; R30-D126 PolarHBondContact NE-OD1 3.31Å; R30-D126 IonicContact NH2-OD1 3.79Å; R30-D126 PolarHBondContact NH2-OD1 3.49Å; R30-D126 IonicContact NH2-OD2 2.77Å; R30-D126 PolarHBondContact NH2-OD2 3.47Å; R30-Y137 PolarHBondContact NH2-OH 3.46Å
31	Y	98.8	Very high	85.8	Confident	10 Å²	10	61.9 Å²	61.9	4%	0.039	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.7	170.3	-68.7	-84.2	0	0	0	109.9	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.02Å; M29-Y31 HydrophobicContact CG-CE2 4.27Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; Y31-V49 WeakPolarHBondContact CA-O 3.39Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 AromaticContact CZ-CZ 3.89Å; Y31-V58 HydrophobicContact CE1-CG2 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.29Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.4Å; Y31-Y123 HydrophobicContact CD2-CE1 4.5Å; Y31-Y123 AromaticContact CD2-CE2 3.57Å; Y31-Y123 HydrophobicContact CD2-CE2 3.57Å; Y31-Y123 AromaticContact CD2-CZ 3.62Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.45Å; Y31-Y123 HydrophobicContact CE2-CE2 4.35Å; Y31-Y123 HydrophobicContact CG-CE1 4.28Å; Y31-Y123 HydrophobicContact CG-CE2 4.15Å; Y31-Y123 AromaticContact CG-CZ 3.72Å; Y31-Y123 PolarHBondContact N-O 3.12Å; Y31-Y123 PolarHBondContact O-N 3.02Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	88.4	Confident	86 Å²	86	57.5 Å²	57.5	38%	0.377	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.6	176.7	-56.3	-95.2	0	0	0	108.7	R30 T48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CE2 3.73Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; F32-T48 VanDerWaalsContact O-CA 3.28Å; F32-T48 WeakPolarHBondContact O-CA 3.45Å; F32-V49 HydrophobicContact CB-CG2 3.9Å; F32-V49 HydrophobicContact CD2-CG2 4.35Å; F32-V49 PolarHBondContact N-O 3.17Å; F32-V49 PolarHBondContact O-N 3.44Å; F32-Y51 HydrophobicContact CD2-CD2 4.06Å; F32-Y51 HydrophobicContact CE2-CD2 4.08Å; F32-R121 CarbonylContact C-O 3.53Å; F32-R121 WeakPolarHBondContact CA-O 3.43Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.99Å
33	Y	98.7	Very high	91	Very high	10 Å²	10	57.1 Å²	57.1	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.3	177	-66.8	11	0	0	0	108.5	F46 I47 T48 N94 Y98 Q120 R121 Y123	Y33-F46 HydrophobicContact CD1-CZ 4.48Å; Y33-F46 AromaticContact CD2-CE2 3.9Å; Y33-F46 HydrophobicContact CD2-CE2 3.9Å; Y33-F46 AromaticContact CD2-CZ 3.6Å; Y33-F46 HydrophobicContact CD2-CZ 3.6Å; Y33-F46 HydrophobicContact CE2-CZ 4.07Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.83Å; Y33-F46 HydrophobicContact CG-CZ 3.83Å; Y33-I47 WeakPolarHBondContact CA-O 3.47Å; Y33-T48 VanDerWaalsContact CD1-CB 3.42Å; Y33-T48 HydrophobicContact CD1-CG2 4.49Å; Y33-T48 WeakPolarHBondContact CD1-OG1 3.32Å; Y33-T48 HydrophobicContact CE1-CG2 4.4Å; Y33-T48 WeakPolarHBondContact CE1-OG1 3.47Å; Y33-N94 HydrophobicContact CE2-CB 4.3Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.15Å; Y33-N94 PolarHBondContact OH-ND2 3.22Å; Y33-Y98 AromaticContact CD2-CE2 3.74Å; Y33-Y98 HydrophobicContact CD2-CE2 3.74Å; Y33-Y98 AromaticContact CD2-CZ 3.81Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.2Å; Y33-Y98 HydrophobicContact CE2-CE2 4.35Å; Y33-Q120 CarbonylContact O-C 3.58Å; Y33-Q120 VanDerWaalsContact O-CA 3.25Å; Y33-Q120 WeakPolarHBondContact O-CA 3.37Å; Y33-R121 PolarHBondContact N-O 2.99Å; Y33-R121 PolarHBondContact O-N 3.49Å; Y33-Y123 HydrophobicContact CD1-CE1 4.15Å; Y33-Y123 AromaticContact CE1-CE1 3.52Å; Y33-Y123 HydrophobicContact CE1-CE1 3.52Å; Y33-Y123 HydrophobicContact CE2-CE1 4.07Å; Y33-Y123 AromaticContact CZ-CE1 3.48Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.48Å; Y33-Y123 AromaticContact CZ-CZ 3.97Å; Y33-Y123 PolarHBondContact OH-OH 2.98Å
34	T	98.8	Very high	93.4	Very high	39 Å²	39	50.3 Å²	50.3	24%	0.239	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	119.5	175.6	-55.2	0	0	0	0	109.3	M36 F46 I47 I118 Q120	T34-M36 HydrophobicContact CG2-CE 4.04Å; T34-M36 HydrophobicContact CG2-CG 4.02Å; T34-M36 HydrophobicContact CG2-SD 4.19Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 2.81Å; T34-I47 PolarHBondContact O-N 3.03Å; T34-I118 HydrophobicContact CG2-CG2 3.94Å; T34-Q120 HydrophobicContact CG2-CG 4.2Å
35	A	98.6	Very high	95.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.6	174.9	0	0	0	0	0	110	R45 F46 Y98 L102 I118 I119	A35-R45 CarbonylContact C-O 3.6Å; A35-R45 WeakPolarHBondContact CA-O 3.46Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; A35-Y98 HydrophobicContact CB-CD1 3.63Å; A35-Y98 HydrophobicContact CB-CG 3.94Å; A35-L102 HydrophobicContact CB-CD1 4.18Å; A35-I118 CarbonylContact O-C 3.47Å; A35-I118 VanDerWaalsContact O-CA 3.32Å; A35-I118 WeakPolarHBondContact O-CA 3.26Å; A35-I119 PolarHBondContact N-O 3.35Å; A35-I119 PolarHBondContact O-N 3.25Å
36	M	98.3	Very high	96.6	Very high	52 Å²	52	51 Å²	51	26%	0.256	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117	-176.3	-65	159.5	-77.9	0	0	109.8	T34 P44 R45 I47 I118	T34-M36 HydrophobicContact CG2-CE 4.04Å; T34-M36 HydrophobicContact CG2-CG 4.02Å; T34-M36 HydrophobicContact CG2-SD 4.19Å; M36-P44 CarbonylContact O-C 3.55Å; M36-P44 WeakPolarHBondContact O-CA 3.38Å; M36-P44 WeakPolarHBondContact O-CB 3.47Å; M36-R45 HydrophobicContact CE-CB 4.34Å; M36-R45 HydrophobicContact CE-CG 4.3Å; M36-R45 PolarHBondContact N-O 3.03Å; M36-R45 PolarHBondContact O-N 2.84Å; M36-I47 HydrophobicContact CE-CD1 3.84Å; M36-I47 HydrophobicContact CE-CG1 4.19Å; M36-I118 HydrophobicContact CG-CD1 4.29Å; M36-I118 HydrophobicContact CG-CG1 4.1Å; M36-I118 HydrophobicContact CG-CG2 4.08Å
37	S	97.6	Very high	96.9	Very high	15 Å²	15	48.9 Å²	48.9	11%	0.105	26%	0.264	C	S	.	.			trans	-68.2	152.6	167.9	80.6	0	0	0	0	110.1	G115 S116 H117	S37-G115 PolarHBondContact OG-O 3.46Å; S37-S116 PolarHBondContact O-OG 2.89Å; S37-S116 VanDerWaalsContact O-OG 3.08Å; S37-H117 PolarHBondContact N-O 3.42Å; S37-H117 PolarHBondContact OG-N 3.42Å
38	R	95.8	Very high	97	Very high	74 Å²	74	47.4 Å²	47.4	28%	0.279	26%	0.257	S	S	.	.			trans	-146.5	72.4	178.3	52.3	172.3	173.1	-155	-14.8	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.95Å; R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 WeakPolarHBondContact CD-O 3.21Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 2.91Å; R38-R41 WeakPolarHBondContact O-CA 3.45Å; R38-R41 PolarHBondContact O-N 3.21Å; R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 2.94Å; R38-E43 PolarHBondContact NH2-O 3.02Å; R38-D63 IonicContact CZ-OD1 3.57Å; R38-D63 IonicContact CZ-OD2 3.52Å; R38-D63 IonicContact NH1-OD1 3.51Å; R38-D63 PolarHBondContact NH1-OD1 3.18Å; R38-D63 IonicContact NH1-OD2 3.91Å; R38-D63 PolarHBondContact NH1-OD2 3.29Å; R38-D63 IonicContact NH2-OD1 2.77Å; R38-D63 PolarHBondContact NH2-OD1 2.82Å; R38-D63 IonicContact NH2-OD2 2.77Å
39	P	92.9	Very high	97	Very high	53 Å²	53	47.9 Å²	47.9	34%	0.344	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	134	-175.6	-27.6	35.6	0	0	0	112.8	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.42Å; P39-E113 WeakPolarHBondContact CB-O 3.16Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; P39-G115 WeakPolarHBondContact CG-O 3.3Å
40	G	91.8	Very high	97	Very high	91 Å²	91	47.9 Å²	47.9	94%	0.938	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	1.6	-176.5	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 2.95Å
41	R	93.5	Very high	97	Very high	211 Å²	211	49.1 Å²	49.1	80%	0.796	26%	0.264	S	S	*	.	S	Bend	trans	-122.2	24.8	-179.9	-57.7	-175.1	-178.7	-176.2	0.9	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 WeakPolarHBondContact CD-O 3.21Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 2.91Å; R38-R41 WeakPolarHBondContact O-CA 3.45Å; R38-R41 PolarHBondContact O-N 3.21Å; P39-R41 PolarHBondContact O-N 3.42Å
42	G	91.9	Very high	97	Very high	59 Å²	59	48.6 Å²	48.6	61%	0.608	26%	0.262	S	S	*	.	S	Bend	trans	93.6	-166.7	179.5	0	0	0	0	0	114
43	E	94.9	Very high	96.9	Very high	85 Å²	85	45.9 Å²	45.9	40%	0.397	25%	0.251	S	S	.	.	S	Bend	trans	-67.5	152.6	-177.3	-72.8	-67.7	170.8	0	0	112.6	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 2.94Å; R38-E43 PolarHBondContact NH2-O 3.02Å; E43-R45 PolarHBondContact O-N 3.2Å; E43-R99 VanDerWaalsContact CD-CZ 3.42Å; E43-R99 VanDerWaalsContact CG-NH2 3.34Å; E43-R99 IonicContact OE1-CZ 3.29Å; E43-R99 VanDerWaalsContact OE2-CD 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.1Å; E43-R99 IonicContact OE2-CZ 3.46Å; E43-R99 VanDerWaalsContact OE2-CZ 3.23Å; E43-R99 IonicContact OE2-NE 2.85Å; E43-R99 PolarHBondContact OE2-NE 2.83Å; E43-R99 IonicContact OE2-NH2 3.17Å
44	P	96.8	Very high	96.8	Very high	23 Å²	23	48.2 Å²	48.2	15%	0.149	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-52.1	137.3	176.1	-26.9	35.7	0	0	0	112.6	M36 R99 L102	M36-P44 CarbonylContact O-C 3.55Å; M36-P44 WeakPolarHBondContact O-CA 3.38Å; M36-P44 WeakPolarHBondContact O-CB 3.47Å; P44-R99 HydrophobicContact CG-CB 4.48Å; P44-R99 HydrophobicContact CG-CG 4.28Å; P44-L102 HydrophobicContact CB-CD1 3.63Å; P44-L102 HydrophobicContact CG-CD1 3.86Å
45	R	98.1	Very high	96.7	Very high	80 Å²	80	47 Å²	47	30%	0.302	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.5	175.1	-176.2	-179	-173.4	177	-0.7	109.3	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.6Å; A35-R45 WeakPolarHBondContact CA-O 3.46Å; M36-R45 HydrophobicContact CE-CB 4.34Å; M36-R45 HydrophobicContact CE-CG 4.3Å; M36-R45 PolarHBondContact N-O 3.03Å; M36-R45 PolarHBondContact O-N 2.84Å; E43-R45 PolarHBondContact O-N 3.2Å; R45-I47 HydrophobicContact CG-CG1 4.23Å; R45-D61 IonicContact CZ-OD1 3.53Å; R45-D61 IonicContact CZ-OD2 3.52Å; R45-D61 IonicContact NE-OD1 3.51Å; R45-D61 PolarHBondContact NE-OD1 2.71Å; R45-D61 IonicContact NE-OD2 2.69Å; R45-D61 VanDerWaalsContact NH2-CG 3.33Å; R45-D61 IonicContact NH2-OD1 2.73Å; R45-D61 PolarHBondContact NH2-OD1 3.11Å; R45-D61 IonicContact NH2-OD2 3.97Å; R45-D61 PolarHBondContact NH2-OD2 2.87Å; R45-S62 WeakPolarHBondContact CA-OG 3.31Å; R45-D63 VanDerWaalsContact CD-OD2 3.24Å; R45-D63 WeakPolarHBondContact CD-OD2 3.39Å; R45-D63 HydrophobicContact CG-CB 4.43Å; R45-D63 IonicContact CZ-OD2 3.48Å; R45-D63 IonicContact NE-OD2 3.23Å
46	F	98.6	Very high	96.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.3	174.9	-179.9	-100.4	0	0	0	110.2	Y33 T34 A35 T48 F60 S62 N94 T95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.48Å; Y33-F46 AromaticContact CD2-CE2 3.9Å; Y33-F46 HydrophobicContact CD2-CE2 3.9Å; Y33-F46 AromaticContact CD2-CZ 3.6Å; Y33-F46 HydrophobicContact CD2-CZ 3.6Å; Y33-F46 HydrophobicContact CE2-CZ 4.07Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.83Å; Y33-F46 HydrophobicContact CG-CZ 3.83Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; F46-T48 HydrophobicContact CE1-CG2 3.73Å; F46-T48 HydrophobicContact CZ-CG2 4.24Å; F46-F60 HydrophobicContact CD1-CD1 4.02Å; F46-F60 AromaticContact CD1-CE1 4Å; F46-F60 HydrophobicContact CD1-CE1 4Å; F46-F60 HydrophobicContact CE1-CD1 4.37Å; F46-S62 PolarHBondContact N-OG 2.95Å; F46-S62 WeakPolarHBondContact O-CB 3.31Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 3.31Å; F46-N94 HydrophobicContact CE1-CB 3.98Å; F46-N94 HydrophobicContact CE2-CB 4.25Å; F46-N94 HydrophobicContact CZ-CB 3.64Å; F46-T95 HydrophobicContact CB-CG2 3.95Å; F46-T95 VanDerWaalsContact CD1-OG1 3.28Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.48Å; F46-Y98 HydrophobicContact CD2-CD2 4.22Å; F46-Y98 HydrophobicContact CD2-CG 4.11Å; F46-Y98 HydrophobicContact CE2-CD1 4.48Å; F46-Y98 AromaticContact CE2-CD2 3.68Å; F46-Y98 HydrophobicContact CE2-CD2 3.68Å; F46-Y98 AromaticContact CE2-CE2 3.99Å; F46-Y98 HydrophobicContact CE2-CE2 3.99Å; F46-Y98 AromaticContact CE2-CG 3.94Å; F46-Y98 HydrophobicContact CE2-CG 3.94Å
47	I	98.8	Very high	96.7	Very high	35 Å²	35	46.9 Å²	46.9	18%	0.179	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.3	174.7	-54.6	179.1	0	0	0	107.6	Y33 T34 M36 R45 F60	Y33-I47 WeakPolarHBondContact CA-O 3.47Å; T34-I47 PolarHBondContact N-O 2.81Å; T34-I47 PolarHBondContact O-N 3.03Å; M36-I47 HydrophobicContact CE-CD1 3.84Å; M36-I47 HydrophobicContact CE-CG1 4.19Å; R45-I47 HydrophobicContact CG-CG1 4.23Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å
48	T	98.8	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.6	164.4	162.9	0	0	0	0	110.5	F32 Y33 F46 R59 F60 K69	F32-T48 VanDerWaalsContact O-CA 3.28Å; F32-T48 WeakPolarHBondContact O-CA 3.45Å; Y33-T48 VanDerWaalsContact CD1-CB 3.42Å; Y33-T48 HydrophobicContact CD1-CG2 4.49Å; Y33-T48 WeakPolarHBondContact CD1-OG1 3.32Å; Y33-T48 HydrophobicContact CE1-CG2 4.4Å; Y33-T48 WeakPolarHBondContact CE1-OG1 3.47Å; F46-T48 HydrophobicContact CE1-CG2 3.73Å; F46-T48 HydrophobicContact CZ-CG2 4.24Å; T48-R59 CarbonylContact O-C 3.53Å; T48-R59 WeakPolarHBondContact O-CA 3.34Å; T48-F60 HydrophobicContact CG2-CB 3.67Å; T48-F60 HydrophobicContact CG2-CD1 4.38Å; T48-F60 HydrophobicContact CG2-CG 4.36Å; T48-F60 PolarHBondContact N-O 3.19Å; T48-F60 PolarHBondContact O-N 2.83Å; T48-K69 PolarHBondContact OG1-NZ 2.89Å
49	V	98.9	Very high	96.9	Very high	32 Å²	32	46.8 Å²	46.8	19%	0.194	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.9	169.4	-70	0	0	0	0	109.7	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.39Å; F32-V49 HydrophobicContact CB-CG2 3.9Å; F32-V49 HydrophobicContact CD2-CG2 4.35Å; F32-V49 PolarHBondContact N-O 3.17Å; F32-V49 PolarHBondContact O-N 3.44Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-L56 HydrophobicContact CB-CD1 3.69Å; V49-L56 HydrophobicContact CG1-CD1 3.9Å; V49-V58 CarbonylContact C-O 3.59Å; V49-V58 WeakPolarHBondContact CA-O 2.94Å; V49-R59 HydrophobicContact CG1-CB 4.35Å; V49-R59 HydrophobicContact CG1-CG 4.2Å
50	G	98.7	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.8	174	0	0	0	0	0	110.3	F57 V58	G50-F57 WeakPolarHBondContact O-CD1 3.38Å; G50-F57 PolarHBondContact O-N 2.82Å; G50-V58 PolarHBondContact N-O 3.19Å; G50-V58 PolarHBondContact O-N 2.91Å
51	Y	98.7	Very high	97.5	Very high	73 Å²	73	40.6 Å²	40.6	29%	0.286	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.3	-179.3	-79.7	-100.7	0	0	0	110.4	M29 R30 F32 V49 D53 T55 L56	M29-Y51 WeakPolarHBondContact CA-O 3.47Å; R30-Y51 PolarHBondContact N-O 2.94Å; R30-Y51 PolarHBondContact O-N 3.48Å; F32-Y51 HydrophobicContact CD2-CD2 4.06Å; F32-Y51 HydrophobicContact CE2-CD2 4.08Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-D53 WeakPolarHBondContact CB-O 3.5Å; Y51-T55 WeakPolarHBondContact CA-O 3.47Å; Y51-L56 HydrophobicContact CD1-CB 4.19Å; Y51-L56 HydrophobicContact CD2-CD1 4.05Å; Y51-L56 HydrophobicContact CE1-CB 3.67Å; Y51-L56 HydrophobicContact CE1-CD1 4.47Å; Y51-L56 HydrophobicContact CE2-CB 4.3Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.49Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.8	157.2	176.1	0	0	0	0	106.2	S28 M29 D54 T55 F57 W75 L192 H195 L196 L203	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; M29-V52 HydrophobicContact CB-CG2 4.45Å; M29-V52 HydrophobicContact CG-CG2 4.15Å; V52-D54 PolarHBondContact O-N 2.9Å; V52-T55 PolarHBondContact N-O 3.37Å; V52-T55 WeakPolarHBondContact O-CA 3.47Å; V52-T55 WeakPolarHBondContact O-CB 3.48Å; V52-T55 PolarHBondContact O-N 3.48Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 3.91Å; V52-W75 HydrophobicContact CB-CH2 4.34Å; V52-W75 HydrophobicContact CB-CZ2 4.4Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.57Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-H195 HydrophobicContact CG2-CB 4.15Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.22Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å
53	D	96.6	Very high	98	Very high	28 Å²	28	32.1 Å²	32.1	15%	0.15	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-133.3	-164.1	-49.6	-44.6	0	0	0	110.2	H27 S28 Y51 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.31Å; H27-D53 IonicContact CE1-OD2 2.75Å; H27-D53 IonicContact CG-OD2 3.06Å; H27-D53 IonicContact ND1-OD1 3.36Å; H27-D53 IonicContact ND1-OD2 2.7Å; H27-D53 PolarHBondContact ND1-OD2 2.47Å; S28-D53 PolarHBondContact N-OD1 3.25Å; S28-D53 PolarHBondContact O-N 3.2Å; S28-D53 PolarHBondContact OG-OD1 3.08Å; Y51-D53 WeakPolarHBondContact CB-O 3.5Å; D53-T55 PolarHBondContact O-N 3.24Å
54	D	96.6	Very high	98.1	Very high	60 Å²	60	29.8 Å²	29.8	32%	0.321	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	5.9	176.6	-57.5	-62.6	0	0	0	114.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.9Å; D54-Y233 HydrophobicContact CB-CE2 3.86Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 HydrophobicContact CB-CB 4.37Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 WeakPolarHBondContact OD1-CB 3.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 2.93Å; D54-F265 HydrophobicContact CB-CE2 3.69Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	97	Very high	98	Very high	12 Å²	12	36.3 Å²	36.3	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.1	-176.7	-58.2	0	0	0	0	112.1	Y51 V52 D53 F57 A73 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.47Å; V52-T55 PolarHBondContact N-O 3.37Å; V52-T55 WeakPolarHBondContact O-CA 3.47Å; V52-T55 WeakPolarHBondContact O-CB 3.48Å; V52-T55 PolarHBondContact O-N 3.48Å; D53-T55 PolarHBondContact O-N 3.24Å; T55-F57 PolarHBondContact O-N 3.33Å; T55-A73 HydrophobicContact CG2-CB 4.42Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.28Å; T55-Y233 PolarHBondContact OG1-OH 3.35Å; T55-R263 PolarHBondContact OG1-NE 3.15Å
56	L	97.9	Very high	97.9	Very high	51 Å²	51	36 Å²	36	27%	0.267	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	122.5	170.7	177.5	71	0	0	0	110.4	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.69Å; V49-L56 HydrophobicContact CG1-CD1 3.9Å; Y51-L56 HydrophobicContact CD1-CB 4.19Å; Y51-L56 HydrophobicContact CD2-CD1 4.05Å; Y51-L56 HydrophobicContact CE1-CB 3.67Å; Y51-L56 HydrophobicContact CE1-CD1 4.47Å; Y51-L56 HydrophobicContact CE2-CB 4.3Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.49Å; L56-R72 HydrophobicContact CD2-CB 3.96Å; L56-R72 HydrophobicContact CD2-CG 3.94Å; L56-R72 HydrophobicContact CG-CB 3.79Å; L56-R72 HydrophobicContact CG-CG 4.07Å; L56-R72 CarbonylContact O-C 3.59Å
57	F	98.2	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-25.9	-179	77.9	-83.7	0	0	0	115	M29 Y31 G50 V52 T55 R72 A73 W75 I76 H195	M29-F57 HydrophobicContact CG-CE1 4.26Å; M29-F57 HydrophobicContact CG-CZ 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.09Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 AromaticContact CZ-CZ 3.89Å; G50-F57 WeakPolarHBondContact O-CD1 3.38Å; G50-F57 PolarHBondContact O-N 2.82Å; V52-F57 HydrophobicContact CG2-CD1 3.97Å; V52-F57 HydrophobicContact CG2-CE1 3.91Å; T55-F57 PolarHBondContact O-N 3.33Å; F57-R72 PolarHBondContact O-N 2.8Å; F57-A73 HydrophobicContact CB-CB 4.16Å; F57-W75 HydrophobicContact CB-CH2 3.21Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 4.04Å; F57-W75 HydrophobicContact CD1-CH2 4.03Å; F57-W75 AromaticContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CH2 3.7Å; F57-W75 AromaticContact CD2-CZ3 3.96Å; F57-W75 HydrophobicContact CD2-CZ3 3.96Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-I76 HydrophobicContact CD2-CB 4.35Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.19Å; F57-I76 WeakPolarHBondContact O-CG2 3.19Å; F57-H195 AromaticContact CE2-CD2 3.74Å; F57-H195 AromaticContact CE2-NE2 3.53Å; F57-H195 AromaticContact CZ-CD2 3.93Å; F57-H195 AromaticContact CZ-NE2 4Å
58	V	98.6	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.5	176.7	-74.1	0	0	0	0	113.3	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.98Å; V49-V58 CarbonylContact C-O 3.59Å; V49-V58 WeakPolarHBondContact CA-O 2.94Å; G50-V58 PolarHBondContact N-O 3.19Å; G50-V58 PolarHBondContact O-N 2.91Å; V58-K69 HydrophobicContact CB-CD 4.32Å; V58-K69 HydrophobicContact CB-CG 4.25Å; V58-K69 HydrophobicContact CG1-CG 4.36Å; V58-E70 WeakPolarHBondContact CA-O 3.48Å; V58-I76 HydrophobicContact CG1-CG1 4.38Å; V58-I76 HydrophobicContact CG1-CG2 4.48Å; V58-W84 HydrophobicContact CG1-CH2 3.95Å; V58-W84 HydrophobicContact CG1-CZ3 3.89Å
59	R	98.6	Very high	97.8	Very high	87 Å²	87	42.9 Å²	42.9	33%	0.328	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.8	171.6	179.2	173.7	169.9	176.4	-3.6	111.4	T48 V49 D61 K69 E70 R72	T48-R59 CarbonylContact O-C 3.53Å; T48-R59 WeakPolarHBondContact O-CA 3.34Å; V49-R59 HydrophobicContact CG1-CB 4.35Å; V49-R59 HydrophobicContact CG1-CG 4.2Å; R59-D61 IonicContact CZ-OD2 3.23Å; R59-D61 IonicContact NE-OD2 2.76Å; R59-D61 IonicContact NH2-OD2 2.79Å; R59-D61 PolarHBondContact NH2-OD2 2.84Å; R59-K69 CarbonylContact O-C 3.56Å; R59-K69 WeakPolarHBondContact O-CA 3.01Å; R59-E70 PolarHBondContact N-O 2.97Å; R59-E70 PolarHBondContact O-N 2.85Å; R59-R72 HydrophobicContact CB-CG 4.02Å
60	F	98.8	Very high	97.8	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.3	160.3	172.2	-78.9	0	0	0	108.3	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 HydrophobicContact CD1-CD1 4.02Å; F46-F60 AromaticContact CD1-CE1 4Å; F46-F60 HydrophobicContact CD1-CE1 4Å; F46-F60 HydrophobicContact CE1-CD1 4.37Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å; T48-F60 HydrophobicContact CG2-CB 3.67Å; T48-F60 HydrophobicContact CG2-CD1 4.38Å; T48-F60 HydrophobicContact CG2-CG 4.36Å; T48-F60 PolarHBondContact N-O 3.19Å; T48-F60 PolarHBondContact O-N 2.83Å; F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.74Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; F60-R68 VanDerWaalsContact CD2-C 3.45Å; F60-R68 WeakPolarHBondContact CD2-O 3.46Å; F60-K69 HydrophobicContact CB-CD 4.02Å; F60-S91 VanDerWaalsContact CG-CB 3.5Å; F60-K92 HydrophobicContact CE2-CG 4.09Å; F60-K92 HydrophobicContact CZ-CG 4.06Å
61	D	98.6	Very high	97.8	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.064	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	120.9	178.7	-159.8	-33.2	0	0	0	109	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.53Å; R45-D61 IonicContact CZ-OD2 3.52Å; R45-D61 IonicContact NE-OD1 3.51Å; R45-D61 PolarHBondContact NE-OD1 2.71Å; R45-D61 IonicContact NE-OD2 2.69Å; R45-D61 VanDerWaalsContact NH2-CG 3.33Å; R45-D61 IonicContact NH2-OD1 2.73Å; R45-D61 PolarHBondContact NH2-OD1 3.11Å; R45-D61 IonicContact NH2-OD2 3.97Å; R45-D61 PolarHBondContact NH2-OD2 2.87Å; R59-D61 IonicContact CZ-OD2 3.23Å; R59-D61 IonicContact NE-OD2 2.76Å; R59-D61 IonicContact NH2-OD2 2.79Å; R59-D61 PolarHBondContact NH2-OD2 2.84Å; D61-D63 PolarHBondContact O-N 3.07Å; D61-D63 PolarHBondContact OD1-N 2.91Å; D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 3.22Å
62	S	98.3	Very high	97.7	Very high	26 Å²	26	48.5 Å²	48.5	18%	0.182	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.2	-177.6	67.3	0	0	0	0	113.5	R45 F46	R45-S62 WeakPolarHBondContact CA-OG 3.31Å; F46-S62 PolarHBondContact N-OG 2.95Å; F46-S62 WeakPolarHBondContact O-CB 3.31Å; F46-S62 PolarHBondContact O-N 2.92Å; F46-S62 PolarHBondContact O-OG 3.31Å
63	D	97.6	Very high	97.6	Very high	67 Å²	67	48.8 Å²	48.8	36%	0.358	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2	-179	-75	10.3	0	0	0	112.9	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.57Å; R38-D63 IonicContact CZ-OD2 3.52Å; R38-D63 IonicContact NH1-OD1 3.51Å; R38-D63 PolarHBondContact NH1-OD1 3.18Å; R38-D63 IonicContact NH1-OD2 3.91Å; R38-D63 PolarHBondContact NH1-OD2 3.29Å; R38-D63 IonicContact NH2-OD1 2.77Å; R38-D63 PolarHBondContact NH2-OD1 2.82Å; R38-D63 IonicContact NH2-OD2 2.77Å; R45-D63 VanDerWaalsContact CD-OD2 3.24Å; R45-D63 WeakPolarHBondContact CD-OD2 3.39Å; R45-D63 HydrophobicContact CG-CB 4.43Å; R45-D63 IonicContact CZ-OD2 3.48Å; R45-D63 IonicContact NE-OD2 3.23Å; D61-D63 PolarHBondContact O-N 3.07Å; D61-D63 PolarHBondContact OD1-N 2.91Å
64	A	97.2	Very high	97.6	Very high	36 Å²	36	52.5 Å²	52.5	30%	0.298	28%	0.283	S	S	.	.	S	Bend	trans	-64.8	147.7	173.1	0	0	0	0	0	111.1	D61 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 3.22Å; A64-S66 PolarHBondContact O-N 2.85Å; A64-S66 VanDerWaalsContact O-N 3.1Å; A64-P67 WeakPolarHBondContact O-CD 3.5Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.21Å
65	T	96.1	Very high	97.6	Very high	160 Å²	160	50.4 Å²	50.4	98%	0.982	27%	0.27	S	S	*	.	S	Bend	trans	-57.9	-28.2	179.3	-44.3	0	0	0	0	113.1
66	S	96.1	Very high	97.6	Very high	73 Å²	73	49.8 Å²	49.8	51%	0.51	27%	0.267	S	S	.	.	S	Bend	trans	-138.8	86	174.1	-173.9	0	0	0	0	108.7	A64 R68	A64-S66 PolarHBondContact O-N 2.85Å; A64-S66 VanDerWaalsContact O-N 3.1Å; S66-R68 PolarHBondContact O-N 3.06Å; S66-R68 VanDerWaalsContact O-N 3.07Å
67	P	97.2	Very high	97.6	Very high	37 Å²	37	53.1 Å²	53.1	24%	0.24	28%	0.281	C	S	.	.			trans	-63.2	113.2	-173.5	-24.7	35.6	0	0	0	111.9	F60 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.74Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; A64-P67 WeakPolarHBondContact O-CD 3.5Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.21Å; P67-K92 WeakPolarHBondContact O-CE 3.38Å; P67-K92 PolarHBondContact O-NZ 2.73Å
68	R	98.1	Very high	97.4	Very high	136 Å²	136	59 Å²	59	51%	0.513	31%	0.308	S	S	.	.			trans	-139.3	159.5	178	-65.5	-172.2	178.9	-138.3	-1.2	109.8	F60 S66 T88	F60-R68 VanDerWaalsContact CD2-C 3.45Å; F60-R68 WeakPolarHBondContact CD2-O 3.46Å; S66-R68 PolarHBondContact O-N 3.06Å; S66-R68 VanDerWaalsContact O-N 3.07Å; R68-T88 HydrophobicContact CB-CG2 4.37Å; R68-T88 HydrophobicContact CG-CG2 4.26Å
69	K	98.4	Very high	97.2	Very high	9 Å²	9	59.8 Å²	59.8	4%	0.039	31%	0.312	C	S	.	.			trans	-74.6	126.2	166.5	-161.1	75.9	154.6	-174.2	0	106.9	T48 V58 R59 F60 W84 E87 T88	T48-K69 PolarHBondContact OG1-NZ 2.89Å; V58-K69 HydrophobicContact CB-CD 4.32Å; V58-K69 HydrophobicContact CB-CG 4.25Å; V58-K69 HydrophobicContact CG1-CG 4.36Å; R59-K69 CarbonylContact O-C 3.56Å; R59-K69 WeakPolarHBondContact O-CA 3.01Å; F60-K69 HydrophobicContact CB-CD 4.02Å; K69-W84 HydrophobicContact CB-CE3 4.21Å; K69-W84 HydrophobicContact CB-CZ3 4.43Å; K69-W84 HydrophobicContact CG-CE3 4.4Å; K69-W84 HydrophobicContact CG-CZ3 4.19Å; K69-W84 VanDerWaalsContact O-CE3 3.31Å; K69-E87 HydrophobicContact CB-CB 4.01Å; K69-E87 HydrophobicContact CD-CB 4.42Å; K69-E87 HydrophobicContact CG-CB 3.83Å; K69-T88 PolarHBondContact N-OG1 2.96Å
70	E	98.3	Very high	97.1	Very high	64 Å²	64	57.3 Å²	57.3	30%	0.299	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.4	-173.4	-63.6	174.2	148.4	0	0	110.4	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.48Å; R59-E70 PolarHBondContact N-O 2.97Å; R59-E70 PolarHBondContact O-N 2.85Å; E70-R72 IonicContact OE2-CZ 3.83Å; E70-R72 IonicContact OE2-NH2 3.52Å; E70-R72 PolarHBondContact OE2-NH2 3Å
71	P	98.2	Very high	97	Very high	43 Å²	43	61.8 Å²	61.8	28%	0.279	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	148.9	171.9	29.3	-35.2	0	0	0	111.6	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.71Å; P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 4.02Å; P71-W84 HydrophobicContact CB-CH2 3.7Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.46Å
72	R	97.7	Very high	97	Very high	115 Å²	115	69.1 Å²	69.1	43%	0.434	38%	0.377	S	S	.	.			trans	-134.3	-2.9	175.5	-60.6	-65.9	170	-142.2	13.6	113.7	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.96Å; L56-R72 HydrophobicContact CD2-CG 3.94Å; L56-R72 HydrophobicContact CG-CB 3.79Å; L56-R72 HydrophobicContact CG-CG 4.07Å; L56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.8Å; R59-R72 HydrophobicContact CB-CG 4.02Å; E70-R72 IonicContact OE2-CZ 3.83Å; E70-R72 IonicContact OE2-NH2 3.52Å; E70-R72 PolarHBondContact OE2-NH2 3Å
73	A	96.4	Very high	96.9	Very high	6 Å²	6	69.1 Å²	69.1	5%	0.05	37%	0.373	C	S	.	.	S	Bend	trans	-136.5	143.7	171.9	0	0	0	0	0	110.2	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.42Å; F57-A73 HydrophobicContact CB-CB 4.16Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.27Å; A73-W75 HydrophobicContact CB-CG 4.41Å; A73-W75 HydrophobicContact CB-CZ2 4.14Å; A73-W75 PolarHBondContact O-N 2.02Å; A73-I76 WeakPolarHBondContact O-CG2 3.44Å; A73-I76 PolarHBondContact O-N 3.37Å
74	P	96.6	Very high	96.9	Very high	106 Å²	106	67.8 Å²	67.8	69%	0.688	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-58.7	-34.4	-175.6	-26.7	35.3	0	0	0	114.1	I76 E77	P74-I76 VanDerWaalsContact C-N 3.26Å; P74-I76 PolarHBondContact O-N 2.81Å; P74-E77 WeakPolarHBondContact O-CB 3.35Å; P74-E77 PolarHBondContact O-N 3.12Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	96.1	Very high	97	Very high	16 Å²	16	70.6 Å²	70.6	6%	0.061	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-71.3	-13.1	-175.1	55.1	-108.1	0	0	0	114.9	V52 F57 A73 Q78 H195 N198 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.34Å; V52-W75 HydrophobicContact CB-CZ2 4.4Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.21Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 4.04Å; F57-W75 HydrophobicContact CD1-CH2 4.03Å; F57-W75 AromaticContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CH2 3.7Å; F57-W75 AromaticContact CD2-CZ3 3.96Å; F57-W75 HydrophobicContact CD2-CZ3 3.96Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.27Å; A73-W75 HydrophobicContact CB-CG 4.41Å; A73-W75 HydrophobicContact CB-CZ2 4.14Å; A73-W75 PolarHBondContact O-N 2.02Å; W75-Q78 WeakPolarHBondContact O-CG 3.05Å; W75-Q78 PolarHBondContact O-NE2 2.74Å; W75-H195 HydrophobicContact CE3-CB 4.32Å; W75-H195 HydrophobicContact CH2-CB 3.96Å; W75-H195 HydrophobicContact CZ3-CB 3.56Å; W75-H195 AromaticContact CZ3-CD2 3.97Å; W75-H195 AromaticContact CZ3-CG 3.56Å; W75-H195 AromaticContact CZ3-ND1 3.97Å; W75-N198 WeakPolarHBondContact CB-O 3.4Å; W75-G199 VanDerWaalsContact CG-CA 3.49Å; W75-L203 HydrophobicContact CD2-CD1 4.38Å; W75-L203 HydrophobicContact CH2-CD1 4.28Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.06Å; W75-L203 HydrophobicContact CZ2-CG 4.33Å
76	I	97.6	Very high	97.1	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-91.1	-18.3	171.3	-159	73.8	0	0	0	111.9	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 H195	F57-I76 HydrophobicContact CD2-CB 4.35Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.19Å; F57-I76 WeakPolarHBondContact O-CG2 3.19Å; V58-I76 HydrophobicContact CG1-CG1 4.38Å; V58-I76 HydrophobicContact CG1-CG2 4.48Å; P71-I76 HydrophobicContact CB-CG2 3.71Å; A73-I76 WeakPolarHBondContact O-CG2 3.44Å; A73-I76 PolarHBondContact O-N 3.37Å; P74-I76 VanDerWaalsContact C-N 3.26Å; P74-I76 PolarHBondContact O-N 2.81Å; I76-Q78 PolarHBondContact O-N 2.9Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; I76-E79 HydrophobicContact CD1-CG 3.58Å; I76-E79 HydrophobicContact CG1-CG 3.94Å; I76-E79 WeakPolarHBondContact O-CB 3.04Å; I76-E79 WeakPolarHBondContact O-CG 3.07Å; I76-E79 PolarHBondContact O-N 2.76Å; I76-Y83 HydrophobicContact CD1-CE1 4.31Å; I76-Y83 HydrophobicContact CG1-CE1 4.15Å; I76-W84 HydrophobicContact CG1-CH2 3.94Å; I76-W84 HydrophobicContact CG1-CZ2 4.07Å; I76-W84 HydrophobicContact CG2-CH2 3.8Å; I76-W84 HydrophobicContact CG2-CZ2 4.11Å; I76-W84 WeakPolarHBondContact O-CZ2 3.39Å; I76-H195 WeakPolarHBondContact CD1-CE1 3.35Å
77	E	96.3	Very high	97.2	Very high	120 Å²	120	67.2 Å²	67.2	56%	0.561	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.3	-176.5	-63.9	-179.3	-174.1	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 4.02Å; P74-E77 WeakPolarHBondContact O-CB 3.35Å; P74-E77 PolarHBondContact O-N 3.12Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.81Å
78	Q	94.4	Very high	97.2	Very high	124 Å²	124	65.8 Å²	65.8	58%	0.579	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-10	173.3	69.8	-172.7	-43.9	0	0	114.5	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.05Å; W75-Q78 PolarHBondContact O-NE2 2.74Å; I76-Q78 PolarHBondContact O-N 2.9Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; Q78-N198 VanDerWaalsContact NE2-CB 3.34Å; Q78-N198 VanDerWaalsContact NE2-CG 3.35Å
79	E	95.8	Very high	97.2	Very high	16 Å²	16	64.7 Å²	64.7	8%	0.075	32%	0.323	C	S	.	.	S	Bend	trans	-66.5	135.8	175.4	-67.3	-63.6	171.1	0	0	111.1	I76 E77 Y83 W84 R194	I76-E79 HydrophobicContact CD1-CG 3.58Å; I76-E79 HydrophobicContact CG1-CG 3.94Å; I76-E79 WeakPolarHBondContact O-CB 3.04Å; I76-E79 WeakPolarHBondContact O-CG 3.07Å; I76-E79 PolarHBondContact O-N 2.76Å; E77-E79 PolarHBondContact O-N 2.81Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CE1 4.22Å; E79-Y83 HydrophobicContact CB-CG 3.84Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 HydrophobicContact CB-CZ2 4.45Å; E79-W84 PolarHBondContact O-NE1 3.17Å; E79-R194 IonicContact OE1-CZ 3.27Å; E79-R194 IonicContact OE1-NE 3.7Å; E79-R194 PolarHBondContact OE1-NE 3.06Å; E79-R194 IonicContact OE1-NH2 3.04Å; E79-R194 PolarHBondContact OE1-NH2 3.25Å; E79-R194 IonicContact OE2-CZ 2.88Å; E79-R194 IonicContact OE2-NE 3.75Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 3.28Å
80	G	95.8	Very high	97.2	Very high	35 Å²	35	67.4 Å²	67.4	36%	0.361	34%	0.338	S	S	.	.			trans	-67.8	165.9	-174.6	0	0	0	0	0	114.1	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.79Å; G80-E82 VanDerWaalsContact O-N 3.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 2.96Å; G80-W84 PolarHBondContact O-N 2.94Å
81	P	97.1	Very high	97.2	Very high	97 Å²	97	64.4 Å²	64.4	63%	0.63	32%	0.323	S	S	*	.	H	α-helix	trans	-57.1	-33.7	-178.4	23.2	-33.9	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.92Å; P81-W84 PolarHBondContact O-N 2.82Å; P81-W84 VanDerWaalsContact O-N 3.16Å; P81-D85 PolarHBondContact O-N 2.89Å
82	E	97.3	Very high	97.2	Very high	166 Å²	166	66.3 Å²	66.3	78%	0.776	33%	0.328	S	S	*	.	H	α-helix	trans	-59	-36.5	176.6	-62	-178.4	179.9	0	0	113.1	G80 R86	G80-E82 PolarHBondContact O-N 2.79Å; G80-E82 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.22Å; E82-R86 PolarHBondContact O-N 2.88Å; E82-R86 VanDerWaalsContact O-N 3.07Å
83	Y	96.9	Very high	97.2	Very high	25 Å²	25	64.3 Å²	64.3	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-52.5	173.6	173.3	-92.7	0	0	0	109.9	I76 E79 G80 P81 D85 R86 E87	I76-Y83 HydrophobicContact CD1-CE1 4.31Å; I76-Y83 HydrophobicContact CG1-CE1 4.15Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CE1 4.22Å; E79-Y83 HydrophobicContact CB-CG 3.84Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 2.96Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.92Å; Y83-D85 PolarHBondContact O-N 2.79Å; Y83-R86 PolarHBondContact O-N 3.13Å; Y83-E87 HydrophobicContact CD1-CG 4.24Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.81Å; Y83-E87 HydrophobicContact CG-CG 4.29Å; Y83-E87 WeakPolarHBondContact O-CB 3.3Å; Y83-E87 WeakPolarHBondContact O-CG 3.36Å; Y83-E87 PolarHBondContact O-N 2.75Å
84	W	98.3	Very high	97.3	Very high	39 Å²	39	65.2 Å²	65.2	15%	0.148	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-39.8	-177.1	-65.4	111	0	0	0	113.4	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.95Å; V58-W84 HydrophobicContact CG1-CZ3 3.89Å; K69-W84 HydrophobicContact CB-CE3 4.21Å; K69-W84 HydrophobicContact CB-CZ3 4.43Å; K69-W84 HydrophobicContact CG-CE3 4.4Å; K69-W84 HydrophobicContact CG-CZ3 4.19Å; K69-W84 VanDerWaalsContact O-CE3 3.31Å; P71-W84 HydrophobicContact CB-CH2 3.7Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.94Å; I76-W84 HydrophobicContact CG1-CZ2 4.07Å; I76-W84 HydrophobicContact CG2-CH2 3.8Å; I76-W84 HydrophobicContact CG2-CZ2 4.11Å; I76-W84 WeakPolarHBondContact O-CZ2 3.39Å; E79-W84 HydrophobicContact CB-CZ2 4.45Å; E79-W84 PolarHBondContact O-NE1 3.17Å; G80-W84 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 2.82Å; P81-W84 VanDerWaalsContact O-N 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.42Å; W84-T88 PolarHBondContact O-N 2.7Å; W84-T88 PolarHBondContact O-OG1 3.44Å
85	D	98.2	Very high	97.4	Very high	95 Å²	95	60.9 Å²	60.9	51%	0.508	30%	0.304	S	S	.	.	H	α-helix	trans	-68.9	-42.1	176	-76.2	-25.9	0	0	0	111.4	P81 Y83 T88 Q89	P81-D85 PolarHBondContact O-N 2.89Å; Y83-D85 PolarHBondContact O-N 2.79Å; D85-T88 PolarHBondContact O-N 3.21Å; D85-Q89 WeakPolarHBondContact O-CB 3.12Å; D85-Q89 PolarHBondContact O-N 3.05Å
86	R	97.7	Very high	97.5	Very high	141 Å²	141	64.3 Å²	64.3	53%	0.532	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-51.9	175.9	-172.3	-173.5	73.7	-164.5	2.4	112	E82 Y83 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.22Å; E82-R86 PolarHBondContact O-N 2.88Å; E82-R86 VanDerWaalsContact O-N 3.07Å; Y83-R86 PolarHBondContact O-N 3.13Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.45Å; R86-Q89 PolarHBondContact O-N 2.93Å; R86-Q89 VanDerWaalsContact O-N 3.11Å; R86-I90 HydrophobicContact CG-CD1 4.03Å; R86-I90 WeakPolarHBondContact O-CG1 3.33Å; R86-I90 PolarHBondContact O-N 2.95Å
87	E	97.9	Very high	97.5	Very high	21 Å²	21	67 Å²	67	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-31.6	-179.5	-62	-47.1	129.2	0	0	112.1	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 4.01Å; K69-E87 HydrophobicContact CD-CB 4.42Å; K69-E87 HydrophobicContact CG-CB 3.83Å; Y83-E87 HydrophobicContact CD1-CG 4.24Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.81Å; Y83-E87 HydrophobicContact CG-CG 4.29Å; Y83-E87 WeakPolarHBondContact O-CB 3.3Å; Y83-E87 WeakPolarHBondContact O-CG 3.36Å; Y83-E87 PolarHBondContact O-N 2.75Å; E87-S91 WeakPolarHBondContact O-CB 3.34Å; E87-S91 PolarHBondContact O-N 3.29Å; E87-S91 PolarHBondContact O-OG 2.81Å
88	T	98.6	Very high	97.5	Very high	8 Å²	8	61.5 Å²	61.5	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-46.4	169.4	-68.5	0	0	0	0	111.2	R68 K69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.37Å; R68-T88 HydrophobicContact CG-CG2 4.26Å; K69-T88 PolarHBondContact N-OG1 2.96Å; W84-T88 WeakPolarHBondContact O-CB 3.42Å; W84-T88 PolarHBondContact O-N 2.7Å; W84-T88 PolarHBondContact O-OG1 3.44Å; D85-T88 PolarHBondContact O-N 3.21Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.45Å; T88-S91 PolarHBondContact O-N 3.22Å; T88-K92 HydrophobicContact CG2-CD 4.04Å; T88-K92 WeakPolarHBondContact O-CG 3.19Å; T88-K92 PolarHBondContact O-N 2.95Å
89	Q	98.4	Very high	97.7	Very high	113 Å²	113	58 Å²	58	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-67.4	-40.7	-178.8	-172.8	58.6	21.2	0	0	111.8	D85 R86 S91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.12Å; D85-Q89 PolarHBondContact O-N 3.05Å; R86-Q89 PolarHBondContact O-N 2.93Å; R86-Q89 VanDerWaalsContact O-N 3.11Å; Q89-S91 VanDerWaalsContact C-N 3.33Å; Q89-S91 PolarHBondContact O-N 3.25Å; Q89-K92 PolarHBondContact O-N 2.89Å; Q89-T93 PolarHBondContact O-N 2.67Å; Q89-T93 PolarHBondContact O-OG1 2.96Å; Q89-T93 VanDerWaalsContact O-OG1 3.14Å
90	I	97.6	Very high	97.8	Very high	66 Å²	66	63.1 Å²	63.1	34%	0.338	32%	0.316	S	S	.	.	H	α-helix	trans	-56.4	-48.1	171.2	-69.2	166.1	0	0	0	110.2	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.03Å; R86-I90 WeakPolarHBondContact O-CG1 3.33Å; R86-I90 PolarHBondContact O-N 2.95Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 2.85Å; I90-T93 PolarHBondContact O-N 2.87Å; I90-N94 WeakPolarHBondContact O-CB 3.47Å; I90-N94 PolarHBondContact O-N 3.01Å; I90-N94 PolarHBondContact O-ND2 2.94Å
91	S	98.4	Very high	97.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-34.9	-180	-55.7	0	0	0	0	112.8	F60 E87 T88 Q89 T95	F60-S91 VanDerWaalsContact CG-CB 3.5Å; E87-S91 WeakPolarHBondContact O-CB 3.34Å; E87-S91 PolarHBondContact O-N 3.29Å; E87-S91 PolarHBondContact O-OG 2.81Å; T88-S91 PolarHBondContact O-N 3.22Å; Q89-S91 VanDerWaalsContact C-N 3.33Å; Q89-S91 PolarHBondContact O-N 3.25Å; S91-T95 PolarHBondContact O-N 3.43Å; S91-T95 PolarHBondContact O-OG1 3.01Å
92	K	98.1	Very high	97.9	Very high	84 Å²	84	60.2 Å²	60.2	37%	0.365	29%	0.287	S	S	.	.	H	α-helix	trans	-69.5	-42.4	173.4	-74.7	174.3	179.6	172.8	0	112.8	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.09Å; F60-K92 HydrophobicContact CZ-CG 4.06Å; P67-K92 WeakPolarHBondContact O-CE 3.38Å; P67-K92 PolarHBondContact O-NZ 2.73Å; T88-K92 HydrophobicContact CG2-CD 4.04Å; T88-K92 WeakPolarHBondContact O-CG 3.19Å; T88-K92 PolarHBondContact O-N 2.95Å; Q89-K92 PolarHBondContact O-N 2.89Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 2.85Å; K92-T95 WeakPolarHBondContact O-CB 3.49Å; K92-T95 PolarHBondContact O-N 3.33Å; K92-Q96 PolarHBondContact O-N 3.4Å
93	T	98.3	Very high	97.8	Very high	72 Å²	72	58.7 Å²	58.7	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-47.7	173.1	-62.7	0	0	0	0	110.4	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 2.67Å; Q89-T93 PolarHBondContact O-OG1 2.96Å; Q89-T93 VanDerWaalsContact O-OG1 3.14Å; I90-T93 PolarHBondContact O-N 2.87Å; T93-T95 VanDerWaalsContact C-N 3.3Å; T93-T95 PolarHBondContact O-N 2.93Å; T93-Q96 WeakPolarHBondContact O-CB 3.37Å; T93-Q96 PolarHBondContact O-N 3.46Å; T93-T97 PolarHBondContact O-N 3Å; T93-T97 PolarHBondContact O-OG1 3.28Å
94	N	98	Very high	97.9	Very high	26 Å²	26	58.9 Å²	58.9	14%	0.139	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-39.3	175.6	-72.2	-29	0	0	0	112.1	Y33 F46 I90 Q96 T97 Y98	Y33-N94 HydrophobicContact CE2-CB 4.3Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.15Å; Y33-N94 PolarHBondContact OH-ND2 3.22Å; F46-N94 HydrophobicContact CE1-CB 3.98Å; F46-N94 HydrophobicContact CE2-CB 4.25Å; F46-N94 HydrophobicContact CZ-CB 3.64Å; I90-N94 WeakPolarHBondContact O-CB 3.47Å; I90-N94 PolarHBondContact O-N 3.01Å; I90-N94 PolarHBondContact O-ND2 2.94Å; N94-Q96 PolarHBondContact O-N 3.34Å; N94-T97 PolarHBondContact O-N 2.8Å; N94-T97 VanDerWaalsContact O-N 3.14Å; N94-Y98 HydrophobicContact CB-CD2 4.33Å; N94-Y98 HydrophobicContact CB-CE2 4.44Å; N94-Y98 VanDerWaalsContact O-CD2 3.28Å; N94-Y98 WeakPolarHBondContact O-CD2 3.46Å; N94-Y98 PolarHBondContact O-N 3.44Å
95	T	98	Very high	97.8	Very high	15 Å²	15	57.4 Å²	57.4	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-55.3	-36.4	174.1	-56.4	0	0	0	0	112.4	F46 S91 K92 T93	F46-T95 HydrophobicContact CB-CG2 3.95Å; F46-T95 VanDerWaalsContact CD1-OG1 3.28Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.48Å; S91-T95 PolarHBondContact O-N 3.43Å; S91-T95 PolarHBondContact O-OG1 3.01Å; K92-T95 WeakPolarHBondContact O-CB 3.49Å; K92-T95 PolarHBondContact O-N 3.33Å; T93-T95 VanDerWaalsContact C-N 3.3Å; T93-T95 PolarHBondContact O-N 2.93Å
96	Q	97.8	Very high	97.7	Very high	88 Å²	88	54.1 Å²	54.1	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-75.7	-46.4	174.2	-56.3	-51.1	-55.6	0	0	112	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.4Å; T93-Q96 WeakPolarHBondContact O-CB 3.37Å; T93-Q96 PolarHBondContact O-N 3.46Å; N94-Q96 PolarHBondContact O-N 3.34Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.21Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.31Å; Q96-R99 VanDerWaalsContact O-N 3.16Å; Q96-E100 PolarHBondContact O-N 3.44Å
97	T	97.8	Very high	97.7	Very high	55 Å²	55	55.5 Å²	55.5	34%	0.337	26%	0.262	S	S	.	.	H	α-helix	trans	-56.5	-45.2	179.1	-53.4	0	0	0	0	111.9	T93 N94 R99 E100 N101	T93-T97 PolarHBondContact O-N 3Å; T93-T97 PolarHBondContact O-OG1 3.28Å; N94-T97 PolarHBondContact O-N 2.8Å; N94-T97 VanDerWaalsContact O-N 3.14Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.33Å; T97-E100 PolarHBondContact O-N 2.98Å; T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 3.42Å; T97-N101 PolarHBondContact O-OD1 2.97Å
98	Y	97.8	Very high	97.7	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-71.1	-27.9	-179.4	-82	-99.2	0	0	0	113.5	Y33 A35 F46 N94 Q96 E100 N101 L102 I119 R121	Y33-Y98 AromaticContact CD2-CE2 3.74Å; Y33-Y98 HydrophobicContact CD2-CE2 3.74Å; Y33-Y98 AromaticContact CD2-CZ 3.81Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.2Å; Y33-Y98 HydrophobicContact CE2-CE2 4.35Å; A35-Y98 HydrophobicContact CB-CD1 3.63Å; A35-Y98 HydrophobicContact CB-CG 3.94Å; F46-Y98 HydrophobicContact CD2-CD2 4.22Å; F46-Y98 HydrophobicContact CD2-CG 4.11Å; F46-Y98 HydrophobicContact CE2-CD1 4.48Å; F46-Y98 AromaticContact CE2-CD2 3.68Å; F46-Y98 HydrophobicContact CE2-CD2 3.68Å; F46-Y98 AromaticContact CE2-CE2 3.99Å; F46-Y98 HydrophobicContact CE2-CE2 3.99Å; F46-Y98 AromaticContact CE2-CG 3.94Å; F46-Y98 HydrophobicContact CE2-CG 3.94Å; N94-Y98 HydrophobicContact CB-CD2 4.33Å; N94-Y98 HydrophobicContact CB-CE2 4.44Å; N94-Y98 VanDerWaalsContact O-CD2 3.28Å; N94-Y98 WeakPolarHBondContact O-CD2 3.46Å; N94-Y98 PolarHBondContact O-N 3.44Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.21Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; Y98-N101 PolarHBondContact O-N 2.96Å; Y98-L102 WeakPolarHBondContact O-CB 3.29Å; Y98-L102 WeakPolarHBondContact O-CG 3.46Å; Y98-L102 PolarHBondContact O-N 3.26Å; Y98-I119 HydrophobicContact CD1-CB 4.15Å; Y98-I119 HydrophobicContact CD1-CG2 3.88Å; Y98-I119 HydrophobicContact CE1-CB 4.41Å; Y98-I119 HydrophobicContact CE1-CG2 3.68Å; Y98-R121 VanDerWaalsContact OH-CB 3.24Å; Y98-R121 WeakPolarHBondContact OH-CB 3.23Å; Y98-R121 WeakPolarHBondContact OH-CD 3.21Å
99	R	97.4	Very high	97.6	Very high	50 Å²	50	59.7 Å²	59.7	19%	0.189	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-41.3	169.8	176.6	-167	-63.6	178.8	-10.7	111.2	E43 P44 Q96 T97 R103	E43-R99 VanDerWaalsContact CD-CZ 3.42Å; E43-R99 VanDerWaalsContact CG-NH2 3.34Å; E43-R99 IonicContact OE1-CZ 3.29Å; E43-R99 VanDerWaalsContact OE2-CD 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.1Å; E43-R99 IonicContact OE2-CZ 3.46Å; E43-R99 VanDerWaalsContact OE2-CZ 3.23Å; E43-R99 IonicContact OE2-NE 2.85Å; E43-R99 PolarHBondContact OE2-NE 2.83Å; E43-R99 IonicContact OE2-NH2 3.17Å; P44-R99 HydrophobicContact CG-CB 4.48Å; P44-R99 HydrophobicContact CG-CG 4.28Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.31Å; Q96-R99 VanDerWaalsContact O-N 3.16Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.33Å; R99-R103 WeakPolarHBondContact O-CG 3.35Å; R99-R103 PolarHBondContact O-N 2.85Å
100	E	97.4	Very high	97.6	Very high	124 Å²	124	61.6 Å²	61.6	58%	0.579	29%	0.29	S	S	*	.	H	α-helix	trans	-73.1	-35.9	176	-66	-175.1	176	0	0	112.7	Q96 T97 Y98 R103 T104	Q96-E100 PolarHBondContact O-N 3.44Å; T97-E100 PolarHBondContact O-N 2.98Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; E100-R103 PolarHBondContact O-N 2.89Å; E100-T104 WeakPolarHBondContact O-CB 3.14Å; E100-T104 PolarHBondContact O-N 3.29Å; E100-T104 PolarHBondContact O-OG1 2.82Å
101	N	97.7	Very high	97.5	Very high	66 Å²	66	61.4 Å²	61.4	35%	0.353	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-44.7	174	-67.5	-9.6	0	0	0	111.2	T97 Y98 R103 T104 A105 I119	T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 3.42Å; T97-N101 PolarHBondContact O-OD1 2.97Å; Y98-N101 PolarHBondContact O-N 2.96Å; N101-R103 PolarHBondContact O-N 3.34Å; N101-T104 CarbonylContact O-C 3.47Å; N101-T104 WeakPolarHBondContact O-CA 3.34Å; N101-T104 WeakPolarHBondContact O-CB 3.49Å; N101-T104 PolarHBondContact O-N 3.48Å; N101-A105 PolarHBondContact O-N 2.83Å; N101-I119 HydrophobicContact CB-CD1 3.62Å
102	L	97.9	Very high	97.3	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-57.1	-46.8	174.5	-78.9	164.1	0	0	0	111.9	A35 P44 Y98 T104 A105 L106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.18Å; P44-L102 HydrophobicContact CB-CD1 3.63Å; P44-L102 HydrophobicContact CG-CD1 3.86Å; Y98-L102 WeakPolarHBondContact O-CB 3.29Å; Y98-L102 WeakPolarHBondContact O-CG 3.46Å; Y98-L102 PolarHBondContact O-N 3.26Å; L102-T104 PolarHBondContact O-N 3.44Å; L102-A105 PolarHBondContact O-N 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.31Å; L102-L106 PolarHBondContact O-N 2.99Å; L102-L106 VanDerWaalsContact O-N 3.1Å; L102-H117 HydrophobicContact CD2-CB 4.15Å; L102-I119 HydrophobicContact CB-CD1 4.48Å; L102-I119 HydrophobicContact CD2-CD1 4Å; L102-I119 HydrophobicContact CD2-CG1 3.84Å; L102-I119 HydrophobicContact CG-CD1 3.9Å; L102-I119 HydrophobicContact CG-CG1 4.24Å; L102-Y142 HydrophobicContact CD2-CE2 4.41Å
103	R	96.6	Very high	97	Very high	133 Å²	133	69.2 Å²	69.2	50%	0.502	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-23.6	174.8	-68.5	174.7	-176.6	166.6	2.2	113.3	R99 E100 N101 R107	R99-R103 WeakPolarHBondContact O-CG 3.35Å; R99-R103 PolarHBondContact O-N 2.85Å; E100-R103 PolarHBondContact O-N 2.89Å; N101-R103 PolarHBondContact O-N 3.34Å; R103-R107 WeakPolarHBondContact O-CG 3.46Å; R103-R107 PolarHBondContact O-NE 2.91Å; R103-R107 VanDerWaalsContact O-NE 3.14Å
104	T	97.4	Very high	96.7	Very high	29 Å²	29	69.7 Å²	69.7	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-86.3	-40.8	178.7	-62	0	0	0	0	111.7	E100 N101 L102 R107 Y108	E100-T104 WeakPolarHBondContact O-CB 3.14Å; E100-T104 PolarHBondContact O-N 3.29Å; E100-T104 PolarHBondContact O-OG1 2.82Å; N101-T104 CarbonylContact O-C 3.47Å; N101-T104 WeakPolarHBondContact O-CA 3.34Å; N101-T104 WeakPolarHBondContact O-CB 3.49Å; N101-T104 PolarHBondContact O-N 3.48Å; L102-T104 PolarHBondContact O-N 3.44Å; T104-R107 PolarHBondContact O-N 3.37Å; T104-R107 PolarHBondContact OG1-NH2 3.37Å; T104-Y108 HydrophobicContact CG2-CD1 4.27Å; T104-Y108 HydrophobicContact CG2-CD2 4.39Å; T104-Y108 HydrophobicContact CG2-CE1 3.68Å; T104-Y108 HydrophobicContact CG2-CE2 3.84Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.43Å; T104-Y108 PolarHBondContact O-N 2.63Å
105	A	97.1	Very high	96.5	Very high	8 Å²	8	69.5 Å²	69.5	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-47.6	172.8	0	0	0	0	0	111.3	N101 L102 R107 Y108 Y109 Y142	N101-A105 PolarHBondContact O-N 2.83Å; L102-A105 PolarHBondContact O-N 3.26Å; A105-R107 PolarHBondContact O-N 2.74Å; A105-R107 VanDerWaalsContact O-N 3.15Å; A105-Y108 PolarHBondContact O-N 2.74Å; A105-Y109 WeakPolarHBondContact O-CD2 3.28Å; A105-Y109 PolarHBondContact O-N 2.9Å; A105-Y142 HydrophobicContact CB-CD1 4.39Å; A105-Y142 HydrophobicContact CB-CD2 4.12Å; A105-Y142 HydrophobicContact CB-CE1 3.93Å; A105-Y142 HydrophobicContact CB-CE2 3.65Å; A105-Y142 HydrophobicContact CB-CG 4.46Å
106	L	96.8	Very high	96.4	Very high	27 Å²	27	73 Å²	73	14%	0.141	38%	0.376	C	S	.	.	H	α-helix	trans	-48.5	-44.3	173.4	-79	175.5	0	0	0	112.7	L102 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.31Å; L102-L106 PolarHBondContact O-N 2.99Å; L102-L106 VanDerWaalsContact O-N 3.1Å; L106-N110 WeakPolarHBondContact O-CA 3.47Å; L106-N110 PolarHBondContact O-N 3.28Å; L106-Q111 HydrophobicContact CD2-CB 3.6Å; L106-Q111 PolarHBondContact O-N 3.04Å; L106-H117 VanDerWaalsContact CD2-CD2 3.42Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.35Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.5Å
107	R	97.1	Very high	96.4	Very high	169 Å²	169	69.6 Å²	69.6	64%	0.638	36%	0.36	S	S	*	.	H	α-helix	trans	-72.3	-39.6	179.3	-70.1	-179.3	-66.5	170.4	2.7	112.8	R103 T104 A105 Y109 N110	R103-R107 WeakPolarHBondContact O-CG 3.46Å; R103-R107 PolarHBondContact O-NE 2.91Å; R103-R107 VanDerWaalsContact O-NE 3.14Å; T104-R107 PolarHBondContact O-N 3.37Å; T104-R107 PolarHBondContact OG1-NH2 3.37Å; A105-R107 PolarHBondContact O-N 2.74Å; A105-R107 VanDerWaalsContact O-N 3.15Å; R107-Y109 VanDerWaalsContact C-N 3.34Å; R107-N110 PolarHBondContact O-N 3.22Å
108	Y	97.5	Very high	96.4	Very high	48 Å²	48	69.8 Å²	69.8	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-37.3	178.4	-67.2	-9.1	0	0	0	112.1	T104 A105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.27Å; T104-Y108 HydrophobicContact CG2-CD2 4.39Å; T104-Y108 HydrophobicContact CG2-CE1 3.68Å; T104-Y108 HydrophobicContact CG2-CE2 3.84Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.43Å; T104-Y108 PolarHBondContact O-N 2.63Å; A105-Y108 PolarHBondContact O-N 2.74Å; Y108-A163 HydrophobicContact CD2-CB 4.38Å; Y108-I166 HydrophobicContact CD1-CD1 4.12Å; Y108-I166 HydrophobicContact CE1-CD1 4.33Å; Y108-I166 HydrophobicContact CE1-CG2 3.95Å; Y108-I166 HydrophobicContact CE2-CB 4.1Å; Y108-I166 HydrophobicContact CE2-CG2 4.13Å; Y108-I166 HydrophobicContact CG-CD1 4.22Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.47Å; Y108-K170 PolarHBondContact OH-NZ 3.32Å
109	Y	97.5	Very high	96.5	Very high	69 Å²	69	70.2 Å²	70.2	27%	0.271	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.7	179.3	-69.4	-71.1	0	0	0	114.3	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 WeakPolarHBondContact O-CD2 3.28Å; A105-Y109 PolarHBondContact O-N 2.9Å; R107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-Q111 PolarHBondContact O-N 2.8Å; Y109-Y142 AromaticContact CD2-CD1 3.64Å; Y109-Y142 HydrophobicContact CD2-CD1 3.64Å; Y109-Y142 AromaticContact CD2-CE1 3.4Å; Y109-Y142 HydrophobicContact CD2-CE1 3.4Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.4Å; Y109-Y142 AromaticContact CE2-CD1 3.36Å; Y109-Y142 HydrophobicContact CE2-CD1 3.36Å; Y109-Y142 AromaticContact CE2-CE1 3.67Å; Y109-Y142 HydrophobicContact CE2-CE1 3.67Å; Y109-Y142 HydrophobicContact CE2-CG 4.34Å; Y109-Y142 HydrophobicContact CG-CE1 4.27Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.06Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.19Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.15Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 2.93Å; Y109-D161 PolarHBondContact OH-OD2 2.6Å; Y109-A163 HydrophobicContact CD1-CB 4.22Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.69Å; Y109-A163 HydrophobicContact CE2-CB 3.94Å
110	N	96.5	Very high	96.5	Very high	153 Å²	153	71.7 Å²	71.7	82%	0.818	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	38.6	-175.9	-54.9	-76.7	0	0	0	113.4	L106 R107	L106-N110 WeakPolarHBondContact O-CA 3.47Å; L106-N110 PolarHBondContact O-N 3.28Å; R107-N110 PolarHBondContact O-N 3.22Å
111	Q	96.4	Very high	96.6	Very high	63 Å²	63	68.2 Å²	68.2	29%	0.294	35%	0.351	S	S	.	.			trans	-87.5	157.1	-177.9	-72.3	164.9	-41.5	0	0	112.2	L106 Y109 H117 Y142 D143	L106-Q111 HydrophobicContact CD2-CB 3.6Å; L106-Q111 PolarHBondContact O-N 3.04Å; Y109-Q111 PolarHBondContact O-N 2.8Å; Q111-H117 VanDerWaalsContact CD-CE1 3.44Å; Q111-H117 PolarHBondContact NE2-CE1 2.78Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.3Å; Q111-Y142 PolarHBondContact OE1-OH 3.3Å; Q111-D143 PolarHBondContact NE2-OD2 3.24Å
112	S	94.1	Very high	96.6	Very high	83 Å²	83	66.2 Å²	66.2	58%	0.58	34%	0.34	S	S	*	.			trans	-79.8	139.7	178.9	177.8	0	0	0	0	112.3	A114 G115	S112-A114 PolarHBondContact O-N 2.84Å; S112-A114 VanDerWaalsContact O-N 3.09Å; S112-A114 PolarHBondContact OG-N 2.66Å; S112-G115 PolarHBondContact O-N 3.2Å
113	E	91.6	Very high	96.7	Very high	165 Å²	165	67 Å²	67	77%	0.771	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.4	174.4	-60	-170.6	163.3	0	0	113.9	P39 G115	P39-E113 WeakPolarHBondContact CB-O 3.16Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.85Å
114	A	92.6	Very high	96.8	Very high	82 Å²	82	60.6 Å²	60.6	68%	0.678	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.1	173	0	0	0	0	0	113.4	S112	S112-A114 PolarHBondContact O-N 2.84Å; S112-A114 VanDerWaalsContact O-N 3.09Å; S112-A114 PolarHBondContact OG-N 2.66Å
115	G	92.9	Very high	96.8	Very high	22 Å²	22	59.2 Å²	59.2	23%	0.227	31%	0.31	C	S	.	.	S	Bend	trans	-77.4	138.9	-179.8	0	0	0	0	0	113.8	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 3.46Å; P39-G115 WeakPolarHBondContact CG-O 3.3Å; S112-G115 PolarHBondContact O-N 3.2Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.85Å; G115-H117 VanDerWaalsContact C-CD2 3.46Å; G115-H117 PolarHBondContact O-CD2 2.78Å
116	S	96.6	Very high	96.9	Very high	88 Å²	88	60.2 Å²	60.2	62%	0.615	31%	0.314	S	S	*	.			trans	-83.9	125.1	165.4	-169.6	0	0	0	0	108.4	S37	S37-S116 PolarHBondContact O-OG 2.89Å; S37-S116 VanDerWaalsContact O-OG 3.08Å
117	H	98	Very high	96.9	Very high	17 Å²	17	59 Å²	59	8%	0.079	31%	0.308	C	S	.	.			trans	-131.9	153.1	-174.1	-66.6	-76.7	0	0	0	111.1	S37 L102 L106 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.42Å; S37-H117 PolarHBondContact OG-N 3.42Å; L102-H117 HydrophobicContact CD2-CB 4.15Å; L106-H117 VanDerWaalsContact CD2-CD2 3.42Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.35Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.5Å; Q111-H117 VanDerWaalsContact CD-CE1 3.44Å; Q111-H117 PolarHBondContact NE2-CE1 2.78Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.3Å; G115-H117 VanDerWaalsContact C-CD2 3.46Å; G115-H117 PolarHBondContact O-CD2 2.78Å; H117-Y142 HydrophobicContact CB-CE2 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.74Å; H117-D143 WeakPolarHBondContact CA-OD1 3.41Å; H117-D143 WeakPolarHBondContact CB-OD1 3.03Å; H117-D143 IonicContact CE1-OD2 2.88Å; H117-D143 IonicContact CG-OD1 3.82Å; H117-D143 IonicContact CG-OD2 2.72Å; H117-D143 IonicContact ND1-OD1 3.67Å; H117-D143 PolarHBondContact ND1-OD1 2.78Å; H117-D143 IonicContact ND1-OD2 3.17Å; H117-D143 PolarHBondContact ND1-OD2 2.76Å
118	I	98.3	Very high	96.8	Very high	59 Å²	59	51.1 Å²	51.1	30%	0.303	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.2	-175	-49.3	-177.2	0	0	0	109.9	T34 A35 M36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.94Å; A35-I118 CarbonylContact O-C 3.47Å; A35-I118 VanDerWaalsContact O-CA 3.32Å; A35-I118 WeakPolarHBondContact O-CA 3.26Å; M36-I118 HydrophobicContact CG-CD1 4.29Å; M36-I118 HydrophobicContact CG-CG1 4.1Å; M36-I118 HydrophobicContact CG-CG2 4.08Å; I118-Q120 HydrophobicContact CG2-CG 3.93Å; I118-Y142 WeakPolarHBondContact O-CA 3.45Å; I118-Y142 VanDerWaalsContact O-CD2 3.25Å; I118-Y142 WeakPolarHBondContact O-CD2 3.44Å; I118-D143 PolarHBondContact N-OD1 2.94Å; I118-D143 PolarHBondContact O-N 3.04Å
119	I	98.7	Very high	96.6	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.072	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.3	162.1	-61.7	172.3	0	0	0	107.8	A35 Y98 N101 L102 A141 Y142	A35-I119 PolarHBondContact N-O 3.35Å; A35-I119 PolarHBondContact O-N 3.25Å; Y98-I119 HydrophobicContact CD1-CB 4.15Å; Y98-I119 HydrophobicContact CD1-CG2 3.88Å; Y98-I119 HydrophobicContact CE1-CB 4.41Å; Y98-I119 HydrophobicContact CE1-CG2 3.68Å; N101-I119 HydrophobicContact CB-CD1 3.62Å; L102-I119 HydrophobicContact CB-CD1 4.48Å; L102-I119 HydrophobicContact CD2-CD1 4Å; L102-I119 HydrophobicContact CD2-CG1 3.84Å; L102-I119 HydrophobicContact CG-CD1 3.9Å; L102-I119 HydrophobicContact CG-CG1 4.24Å; I119-A141 WeakPolarHBondContact CA-O 3.36Å; I119-Y142 HydrophobicContact CG1-CD2 3.63Å; I119-Y142 HydrophobicContact CG1-CE2 4.05Å
120	Q	98.8	Very high	96.3	Very high	81 Å²	81	53.6 Å²	53.6	38%	0.379	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.4	173	-64.5	172.5	-104.9	0	0	109.4	Y33 T34 I118 D140 A141	Y33-Q120 CarbonylContact O-C 3.58Å; Y33-Q120 VanDerWaalsContact O-CA 3.25Å; Y33-Q120 WeakPolarHBondContact O-CA 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.2Å; I118-Q120 HydrophobicContact CG2-CG 3.93Å; Q120-D140 CarbonylContact O-C 3.59Å; Q120-D140 VanDerWaalsContact O-CA 3.27Å; Q120-D140 WeakPolarHBondContact O-CA 3.34Å; Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 2.74Å; Q120-A141 PolarHBondContact O-N 2.88Å
121	R	98.6	Very high	96.1	Very high	50 Å²	50	47 Å²	47	19%	0.189	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.2	169.8	-169	173.8	165.7	-173.7	-8.1	110.4	F32 Y33 Y98 Y123 D138 Q139 D140	F32-R121 CarbonylContact C-O 3.53Å; F32-R121 WeakPolarHBondContact CA-O 3.43Å; Y33-R121 PolarHBondContact N-O 2.99Å; Y33-R121 PolarHBondContact O-N 3.49Å; Y98-R121 VanDerWaalsContact OH-CB 3.24Å; Y98-R121 WeakPolarHBondContact OH-CB 3.23Å; Y98-R121 WeakPolarHBondContact OH-CD 3.21Å; R121-Y123 HydrophobicContact CG-CD1 4.39Å; R121-D138 IonicContact CZ-OD1 2.62Å; R121-D138 IonicContact CZ-OD2 3.51Å; R121-D138 IonicContact NE-OD1 3.44Å; R121-D138 PolarHBondContact NE-OD1 3.36Å; R121-D138 IonicContact NE-OD2 2.75Å; R121-D138 IonicContact NH2-OD1 2.83Å; R121-D138 PolarHBondContact NH2-OD1 2.93Å; R121-D138 IonicContact NH2-OD2 3.73Å; R121-D138 PolarHBondContact NH2-OD2 2.94Å; R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.47Å; R121-Q139 WeakPolarHBondContact CG-O 3.49Å; R121-D140 WeakPolarHBondContact CB-OD1 3.27Å; R121-D140 WeakPolarHBondContact CD-OD1 3.19Å; R121-D140 VanDerWaalsContact CG-OD1 3.25Å; R121-D140 WeakPolarHBondContact CG-OD1 3.43Å
122	M	98.7	Very high	96.1	Very high	24 Å²	24	52 Å²	52	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129	164.2	-171.8	-78.3	-68.3	0	0	108.4	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.29Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.99Å; M122-Y137 HydrophobicContact CE-CD1 3.91Å; M122-Y137 HydrophobicContact CE-CG 4.05Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-OE1 3.3Å; M122-Q139 PolarHBondContact N-O 3.44Å; M122-Q139 PolarHBondContact O-N 2.84Å
123	Y	98.6	Very high	96.2	Very high	22 Å²	22	50.4 Å²	50.4	9%	0.086	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.8	171.7	74.6	-88.5	0	0	0	110.7	Y31 Y33 R121 Y137 D138 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.4Å; Y31-Y123 HydrophobicContact CD2-CE1 4.5Å; Y31-Y123 AromaticContact CD2-CE2 3.57Å; Y31-Y123 HydrophobicContact CD2-CE2 3.57Å; Y31-Y123 AromaticContact CD2-CZ 3.62Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.45Å; Y31-Y123 HydrophobicContact CE2-CE2 4.35Å; Y31-Y123 HydrophobicContact CG-CE1 4.28Å; Y31-Y123 HydrophobicContact CG-CE2 4.15Å; Y31-Y123 AromaticContact CG-CZ 3.72Å; Y31-Y123 PolarHBondContact N-O 3.12Å; Y31-Y123 PolarHBondContact O-N 3.02Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; Y33-Y123 HydrophobicContact CD1-CE1 4.15Å; Y33-Y123 AromaticContact CE1-CE1 3.52Å; Y33-Y123 HydrophobicContact CE1-CE1 3.52Å; Y33-Y123 HydrophobicContact CE2-CE1 4.07Å; Y33-Y123 AromaticContact CZ-CE1 3.48Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.48Å; Y33-Y123 AromaticContact CZ-CZ 3.97Å; Y33-Y123 PolarHBondContact OH-OH 2.98Å; R121-Y123 HydrophobicContact CG-CD1 4.39Å; Y123-Y137 WeakPolarHBondContact CA-O 3.47Å; Y123-Y137 VanDerWaalsContact CB-O 3.31Å; Y123-Y137 WeakPolarHBondContact CB-O 3.41Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.25Å; Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.7Å; Y123-Y183 HydrophobicContact CE2-CE1 3.7Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å
124	G	98.6	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-176.7	-176.3	0	0	0	0	0	113.9	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.6Å; M29-G124 WeakPolarHBondContact O-CA 3.45Å; G124-G136 CarbonylContact O-C 3.54Å; G124-Y137 PolarHBondContact N-O 3.47Å; G124-Y137 PolarHBondContact O-N 2.91Å; G124-L184 WeakPolarHBondContact O-CD2 3.39Å
125	C	98.6	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.8	-175.6	52.6	0	0	0	0	110.8	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.35Å; M29-C125 PolarHBondContact N-O 3.47Å; M29-C125 PolarHBondContact O-N 2.94Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.35Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 3.21Å; C125-C188 PolarHBondContact N-SG 3.31Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.93Å; C125-V189 HydrophobicContact CB-CG2 4.44Å
126	D	98.3	Very high	97	Very high	28 Å²	28	47.8 Å²	47.8	15%	0.15	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.6	171.7	-62.1	-1.6	0	0	0	108.9	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.41Å; S28-D126 WeakPolarHBondContact CB-OD1 3.16Å; R30-D126 IonicContact CZ-OD1 3.36Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 2.66Å; R30-D126 IonicContact NE-OD1 3.51Å; R30-D126 PolarHBondContact NE-OD1 3.31Å; R30-D126 IonicContact NH2-OD1 3.79Å; R30-D126 PolarHBondContact NH2-OD1 3.49Å; R30-D126 IonicContact NH2-OD2 2.77Å; R30-D126 PolarHBondContact NH2-OD2 3.47Å; D126-L134 PolarHBondContact O-N 2.96Å; D126-R135 PolarHBondContact N-O 3.31Å; D126-R135 PolarHBondContact O-N 2.94Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.42Å; D126-Y137 PolarHBondContact OD2-OH 3.46Å
127	V	97.7	Very high	97.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.4	-179.6	-61.5	0	0	0	0	111.8	S26 H27 R132 V189 L192 L196	S26-V127 CarbonylContact C-O 3.57Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.49Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 3.29Å; H27-V127 PolarHBondContact O-N 2.89Å; V127-R132 CarbonylContact C-O 3.58Å; V127-R132 WeakPolarHBondContact CA-O 3.31Å; V127-R132 WeakPolarHBondContact CB-O 3.49Å; V127-V189 HydrophobicContact CG1-CB 4.36Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.92Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.96Å; V127-L192 HydrophobicContact CG2-CD2 3.6Å; V127-L192 HydrophobicContact CG2-CG 4.15Å; V127-L196 HydrophobicContact CG2-CD1 4.5Å
128	G	95.3	Very high	97.1	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.031	22%	0.217	C	C	.	.			trans	-77.5	-179.3	174.4	0	0	0	0	0	112.4	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.47Å; G128-G131 VanDerWaalsContact O-CA 3.28Å; G128-G131 WeakPolarHBondContact O-CA 3.39Å; G128-G131 PolarHBondContact O-N 3.38Å; G128-R132 PolarHBondContact N-O 3.08Å
129	P	92.3	Very high	97.1	Very high	79 Å²	79	45.4 Å²	45.4	51%	0.513	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.9	-179.2	-17	32.2	0	0	0	112.9	A24 G131	A24-P129 HydrophobicContact CB-CB 3.85Å; A24-P129 WeakPolarHBondContact O-CB 3.43Å; A24-P129 WeakPolarHBondContact O-CG 3.32Å; P129-G131 PolarHBondContact O-N 3.35Å
130	D	91.9	Very high	97.1	Very high	91 Å²	91	45.5 Å²	45.5	49%	0.487	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	4.4	169.4	73.6	-12.1	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 3.47Å; D130-R132 PolarHBondContact O-N 2.94Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 WeakPolarHBondContact OD1-CG 3.33Å; D130-R132 PolarHBondContact OD1-N 3.03Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 WeakPolarHBondContact OD2-CG 3.42Å; D130-R132 IonicContact OD2-CZ 2.66Å; D130-R132 IonicContact OD2-NE 3.6Å; D130-R132 PolarHBondContact OD2-NE 2.94Å; D130-R132 IonicContact OD2-NH1 3.68Å; D130-R132 PolarHBondContact OD2-NH1 3.44Å
131	G	92.1	Very high	97.1	Very high	13 Å²	13	42.5 Å²	42.5	13%	0.134	21%	0.208	C	C	.	.	S	Bend	trans	70.7	5	-177.7	0	0	0	0	0	114.8	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.28Å; G128-G131 WeakPolarHBondContact O-CA 3.39Å; G128-G131 PolarHBondContact O-N 3.38Å; P129-G131 PolarHBondContact O-N 3.35Å; G131-V189 WeakPolarHBondContact O-CG1 3.38Å; G131-R193 VanDerWaalsContact C-NH2 3.3Å; G131-R193 PolarHBondContact O-NE 2.85Å; G131-R193 PolarHBondContact O-NH2 3.09Å
132	R	95.4	Very high	97.1	Very high	168 Å²	168	40.8 Å²	40.8	63%	0.634	20%	0.202	S	C	*	.			trans	-78.8	151.1	179.5	-64.6	-174.9	-174.6	142.2	-9.4	111.5	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.58Å; V127-R132 WeakPolarHBondContact CA-O 3.31Å; V127-R132 WeakPolarHBondContact CB-O 3.49Å; G128-R132 PolarHBondContact N-O 3.08Å; D130-R132 PolarHBondContact O-N 2.94Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 WeakPolarHBondContact OD1-CG 3.33Å; D130-R132 PolarHBondContact OD1-N 3.03Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 WeakPolarHBondContact OD2-CG 3.42Å; D130-R132 IonicContact OD2-CZ 2.66Å; D130-R132 IonicContact OD2-NE 3.6Å; D130-R132 PolarHBondContact OD2-NE 2.94Å; D130-R132 IonicContact OD2-NH1 3.68Å; D130-R132 PolarHBondContact OD2-NH1 3.44Å; R132-L134 PolarHBondContact O-N 3.38Å
133	L	97.6	Very high	97.1	Very high	50 Å²	50	42.6 Å²	42.6	26%	0.262	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	124.2	174.4	-172.9	72.9	0	0	0	110.1	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.37Å; L133-L154 HydrophobicContact CD2-CD1 4.1Å; L133-E185 HydrophobicContact CD2-CB 4.47Å; L133-E185 HydrophobicContact CD2-CG 3.75Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 3.82Å; L133-V189 HydrophobicContact CG-CG2 4.49Å
134	L	97.4	Very high	97	Very high	116 Å²	116	44.3 Å²	44.3	61%	0.607	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	-43.7	165.8	-63.1	177.2	0	0	0	110.4	D126 R132	D126-L134 PolarHBondContact O-N 2.96Å; R132-L134 PolarHBondContact O-N 3.38Å
135	R	97.4	Very high	97	Very high	93 Å²	93	51.9 Å²	51.9	35%	0.351	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	139.5	-175.7	-172.1	162.1	170.4	141.2	9.2	112	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.35Å; D126-R135 PolarHBondContact N-O 3.31Å; D126-R135 PolarHBondContact O-N 2.94Å; L133-R135 WeakPolarHBondContact CD1-O 3.37Å; R135-Y137 HydrophobicContact CB-CE2 3.99Å; R135-Y137 VanDerWaalsContact CD-CZ 3.47Å; R135-Y137 VanDerWaalsContact CD-OH 3.26Å; R135-Y137 WeakPolarHBondContact CD-OH 3.49Å; R135-Y137 HydrophobicContact CG-CD2 4.26Å; R135-Y137 HydrophobicContact CG-CE1 4.27Å; R135-Y137 HydrophobicContact CG-CE2 3.64Å; R135-Y137 VanDerWaalsContact NE-CE1 3.32Å; R135-Y137 PolarHBondContact NE-OH 2.91Å; R135-E152 IonicContact CZ-OE1 3.5Å; R135-E152 IonicContact NH1-OE1 3.1Å; R135-E152 PolarHBondContact NH1-OE1 3.16Å; R135-E152 IonicContact NH1-OE2 3.87Å; R135-E152 VanDerWaalsContact NH2-CD 3.33Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 3.77Å; R135-E152 PolarHBondContact NH2-OE1 2.74Å
136	G	98.2	Very high	97	Very high	5 Å²	5	57.5 Å²	57.5	5%	0.052	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	153.6	167.3	0	0	0	0	0	111	G124	G124-G136 CarbonylContact O-C 3.54Å
137	Y	98.2	Very high	97	Very high	42 Å²	42	57.3 Å²	57.3	17%	0.165	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.3	179.8	-60.3	-97.1	0	0	0	110.2	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.46Å; M122-Y137 HydrophobicContact CE-CD1 3.91Å; M122-Y137 HydrophobicContact CE-CG 4.05Å; Y123-Y137 WeakPolarHBondContact CA-O 3.47Å; Y123-Y137 VanDerWaalsContact CB-O 3.31Å; Y123-Y137 WeakPolarHBondContact CB-O 3.41Å; G124-Y137 PolarHBondContact N-O 3.47Å; G124-Y137 PolarHBondContact O-N 2.91Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.42Å; D126-Y137 PolarHBondContact OD2-OH 3.46Å; R135-Y137 HydrophobicContact CB-CE2 3.99Å; R135-Y137 VanDerWaalsContact CD-CZ 3.47Å; R135-Y137 VanDerWaalsContact CD-OH 3.26Å; R135-Y137 WeakPolarHBondContact CD-OH 3.49Å; R135-Y137 HydrophobicContact CG-CD2 4.26Å; R135-Y137 HydrophobicContact CG-CE1 4.27Å; R135-Y137 HydrophobicContact CG-CE2 3.64Å; R135-Y137 VanDerWaalsContact NE-CE1 3.32Å; R135-Y137 PolarHBondContact NE-OH 2.91Å
138	D	98.6	Very high	97.1	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	113.7	162	-166.5	62.9	0	0	0	108.4	R121 Y123 L150 L180	R121-D138 IonicContact CZ-OD1 2.62Å; R121-D138 IonicContact CZ-OD2 3.51Å; R121-D138 IonicContact NE-OD1 3.44Å; R121-D138 PolarHBondContact NE-OD1 3.36Å; R121-D138 IonicContact NE-OD2 2.75Å; R121-D138 IonicContact NH2-OD1 2.83Å; R121-D138 PolarHBondContact NH2-OD1 2.93Å; R121-D138 IonicContact NH2-OD2 3.73Å; R121-D138 PolarHBondContact NH2-OD2 2.94Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.25Å; D138-L150 HydrophobicContact CB-CB 3.9Å; D138-L150 HydrophobicContact CB-CD2 4.06Å; D138-L150 WeakPolarHBondContact O-CB 3.42Å; D138-L150 PolarHBondContact O-N 3.05Å; D138-L180 HydrophobicContact CB-CD1 4.16Å; D138-L180 VanDerWaalsContact OD2-CD1 3.24Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.33Å
139	Q	98.6	Very high	97.3	Very high	70 Å²	70	58.8 Å²	58.8	33%	0.327	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	133.5	-176.7	58.4	-173.7	87.5	0	0	111.6	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.47Å; R121-Q139 WeakPolarHBondContact CG-O 3.49Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-OE1 3.3Å; M122-Q139 PolarHBondContact N-O 3.44Å; M122-Q139 PolarHBondContact O-N 2.84Å; Q139-I148 WeakPolarHBondContact CA-O 3.36Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	D	98.6	Very high	97.6	Very high	16 Å²	16	55.7 Å²	55.7	9%	0.086	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.1	174.6	-70.6	-65.3	0	0	0	111.1	Q120 R121 Y147 I148 W171	Q120-D140 CarbonylContact O-C 3.59Å; Q120-D140 VanDerWaalsContact O-CA 3.27Å; Q120-D140 WeakPolarHBondContact O-CA 3.34Å; R121-D140 WeakPolarHBondContact CB-OD1 3.27Å; R121-D140 WeakPolarHBondContact CD-OD1 3.19Å; R121-D140 VanDerWaalsContact CG-OD1 3.25Å; R121-D140 WeakPolarHBondContact CG-OD1 3.43Å; D140-Y147 HydrophobicContact CB-CD1 4.38Å; D140-Y147 WeakPolarHBondContact O-CB 3.38Å; D140-Y147 PolarHBondContact O-N 3.2Å; D140-I148 HydrophobicContact CB-CG2 4.23Å; D140-I148 PolarHBondContact N-O 2.87Å; D140-I148 PolarHBondContact O-N 2.82Å; D140-W171 WeakPolarHBondContact OD2-CH2 3.37Å
141	A	98.8	Very high	97.9	Very high	18 Å²	18	53.5 Å²	53.5	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.8	172.2	0	0	0	0	0	110.6	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.36Å; Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 2.74Å; Q120-A141 PolarHBondContact O-N 2.88Å; A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.4Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å
142	Y	98.6	Very high	98.2	Very high	14 Å²	14	59.3 Å²	59.3	6%	0.055	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.3	176.8	-173.2	-124.3	0	0	0	111	L102 A105 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.41Å; A105-Y142 HydrophobicContact CB-CD1 4.39Å; A105-Y142 HydrophobicContact CB-CD2 4.12Å; A105-Y142 HydrophobicContact CB-CE1 3.93Å; A105-Y142 HydrophobicContact CB-CE2 3.65Å; A105-Y142 HydrophobicContact CB-CG 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.64Å; Y109-Y142 HydrophobicContact CD2-CD1 3.64Å; Y109-Y142 AromaticContact CD2-CE1 3.4Å; Y109-Y142 HydrophobicContact CD2-CE1 3.4Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.4Å; Y109-Y142 AromaticContact CE2-CD1 3.36Å; Y109-Y142 HydrophobicContact CE2-CD1 3.36Å; Y109-Y142 AromaticContact CE2-CE1 3.67Å; Y109-Y142 HydrophobicContact CE2-CE1 3.67Å; Y109-Y142 HydrophobicContact CE2-CG 4.34Å; Y109-Y142 HydrophobicContact CG-CE1 4.27Å; Q111-Y142 PolarHBondContact OE1-OH 3.3Å; H117-Y142 HydrophobicContact CB-CE2 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.74Å; I118-Y142 WeakPolarHBondContact O-CA 3.45Å; I118-Y142 VanDerWaalsContact O-CD2 3.25Å; I118-Y142 WeakPolarHBondContact O-CD2 3.44Å; I119-Y142 HydrophobicContact CG1-CD2 3.63Å; I119-Y142 HydrophobicContact CG1-CE2 4.05Å; Y142-G144 PolarHBondContact O-N 2.86Å; Y142-G144 VanDerWaalsContact O-N 3.12Å; Y142-K145 PolarHBondContact N-O 3.48Å; Y142-K145 PolarHBondContact O-N 3.03Å
143	D	98.1	Very high	98.3	Very high	61 Å²	61	55.1 Å²	55.1	33%	0.326	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	38.7	-175.9	-65.4	-20.8	0	0	0	113.4	Q111 H117 I118	Q111-D143 PolarHBondContact NE2-OD2 3.24Å; H117-D143 WeakPolarHBondContact CA-OD1 3.41Å; H117-D143 WeakPolarHBondContact CB-OD1 3.03Å; H117-D143 IonicContact CE1-OD2 2.88Å; H117-D143 IonicContact CG-OD1 3.82Å; H117-D143 IonicContact CG-OD2 2.72Å; H117-D143 IonicContact ND1-OD1 3.67Å; H117-D143 PolarHBondContact ND1-OD1 2.78Å; H117-D143 IonicContact ND1-OD2 3.17Å; H117-D143 PolarHBondContact ND1-OD2 2.76Å; I118-D143 PolarHBondContact N-OD1 2.94Å; I118-D143 PolarHBondContact O-N 3.04Å
144	G	97.3	Very high	98.3	Very high	58 Å²	58	53.2 Å²	53.2	60%	0.598	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	11.2	179	0	0	0	0	0	115.6	Y142	Y142-G144 PolarHBondContact O-N 2.86Å; Y142-G144 VanDerWaalsContact O-N 3.12Å
145	K	98.4	Very high	98.3	Very high	160 Å²	160	51.1 Å²	51.1	70%	0.696	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.9	175.6	-60.7	177.1	-176.5	176.2	0	110.6	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.4Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å; Y142-K145 PolarHBondContact N-O 3.48Å; Y142-K145 PolarHBondContact O-N 3.03Å; K145-Y147 PolarHBondContact O-N 3.31Å
146	D	98.7	Very high	98.3	Very high	118 Å²	118	48.5 Å²	48.5	63%	0.631	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.5	137.1	173.9	-61.4	-45.2	0	0	0	110.9	A160	D146-A160 WeakPolarHBondContact O-CB 3.4Å
147	Y	98.7	Very high	98.4	Very high	23 Å²	23	49 Å²	49	9%	0.09	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-63.4	-179.2	179.8	-109	0	0	0	110.3	Y109 D140 K145 A160 A163 A164 T167	Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.06Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.19Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.15Å; D140-Y147 HydrophobicContact CB-CD1 4.38Å; D140-Y147 WeakPolarHBondContact O-CB 3.38Å; D140-Y147 PolarHBondContact O-N 3.2Å; K145-Y147 PolarHBondContact O-N 3.31Å; Y147-A160 WeakPolarHBondContact O-CB 3.37Å; Y147-A160 PolarHBondContact O-N 2.86Å; Y147-A163 HydrophobicContact CE2-CB 4.4Å; Y147-A163 PolarHBondContact OH-O 2.91Å; Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 HydrophobicContact CE2-CB 3.75Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 PolarHBondContact OH-OG1 2.94Å
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	-147.3	142.5	176.8	-161.9	173.4	0	0	0	110.3	Q139 D140 W157 T158 A159 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.36Å; D140-I148 HydrophobicContact CB-CG2 4.23Å; D140-I148 PolarHBondContact N-O 2.87Å; D140-I148 PolarHBondContact O-N 2.82Å; I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.33Å; I148-W157 HydrophobicContact CD1-CE3 4.1Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.42Å; I148-W157 HydrophobicContact CG1-CE3 4Å; I148-T158 WeakPolarHBondContact CA-O 3.41Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; I148-A159 HydrophobicContact CG1-CB 4.5Å; I148-T167 HydrophobicContact CD1-CG2 4.24Å; I148-Q168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.09Å; I148-W171 HydrophobicContact CD1-CZ3 4.41Å; I148-W171 HydrophobicContact CG2-CE3 4.43Å; I148-W171 HydrophobicContact CG2-CH2 4.15Å; I148-W171 HydrophobicContact CG2-CZ3 3.75Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	51.7 Å²	51.7	26%	0.264	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140	177.1	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 WeakPolarHBondContact O-CA 3.42Å; A149-T158 PolarHBondContact N-O 2.93Å; A149-T158 PolarHBondContact O-N 3.33Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.2	168.1	-175.8	66.9	0	0	0	108.5	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.9Å; D138-L150 HydrophobicContact CB-CD2 4.06Å; D138-L150 WeakPolarHBondContact O-CB 3.42Å; D138-L150 PolarHBondContact O-N 3.05Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.08Å; L150-W157 HydrophobicContact CB-CZ3 3.64Å; L150-W157 HydrophobicContact CD1-CD2 4.28Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; L150-A177 HydrophobicContact CD1-CB 3.91Å; L150-L180 HydrophobicContact CD2-CB 4.2Å; L150-L180 HydrophobicContact CD2-CD1 4.42Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	53 Å²	53	24%	0.235	31%	0.312	C	S	.	.			trans	-74	163.5	-179.7	-67.2	-27.4	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.97Å; N151-L154 PolarHBondContact O-N 2.87Å; N151-S156 WeakPolarHBondContact CB-O 3.32Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 2.79Å; N151-S156 PolarHBondContact ND2-OG 3.29Å; N151-T158 PolarHBondContact ND2-OG1 2.85Å; N151-T158 WeakPolarHBondContact OD1-CB 3.46Å; N151-T158 PolarHBondContact OD1-OG1 2.9Å
152	E	97.8	Very high	98.3	Very high	136 Å²	136	57.3 Å²	57.3	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.3	-177.3	-62.2	-178.9	-164.7	0	0	113.8	R135 L154	R135-E152 IonicContact CZ-OE1 3.5Å; R135-E152 IonicContact NH1-OE1 3.1Å; R135-E152 PolarHBondContact NH1-OE1 3.16Å; R135-E152 IonicContact NH1-OE2 3.87Å; R135-E152 VanDerWaalsContact NH2-CD 3.33Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 3.77Å; R135-E152 PolarHBondContact NH2-OE1 2.74Å; E152-L154 PolarHBondContact O-N 2.82Å
153	D	97.6	Very high	98.3	Very high	79 Å²	79	56.9 Å²	56.9	42%	0.422	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.4	173.9	66.5	35.1	0	0	0	114.4	N151 S155 S156	N151-D153 PolarHBondContact O-N 2.97Å; D153-S155 PolarHBondContact O-N 2.77Å; D153-S155 WeakPolarHBondContact OD1-CA 3.17Å; D153-S155 WeakPolarHBondContact OD1-CB 3.35Å; D153-S155 PolarHBondContact OD1-N 2.77Å; D153-S155 PolarHBondContact OD1-OG 2.79Å; D153-S156 PolarHBondContact OD1-N 3.29Å; D153-S156 PolarHBondContact OD1-OG 2.8Å; D153-S156 PolarHBondContact OD2-OG 2.81Å
154	L	98.1	Very high	98.3	Very high	10 Å²	10	54 Å²	54	5%	0.052	32%	0.32	C	S	.	.	S	Bend	trans	53.1	32	-176.5	-52	-178.1	0	0	0	113.9	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.1Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 2.82Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.95Å; L154-R181 HydrophobicContact CD1-CG 4.36Å; L154-L184 HydrophobicContact CD2-CD1 4.05Å; L154-E185 HydrophobicContact CD1-CG 4.19Å
155	S	97.8	Very high	98.4	Very high	72 Å²	72	54.6 Å²	54.6	50%	0.503	31%	0.307	S	S	.	.	S	Bend	trans	-142.7	-28.3	-174.8	71.3	0	0	0	0	114.2	D153	D153-S155 PolarHBondContact O-N 2.77Å; D153-S155 WeakPolarHBondContact OD1-CA 3.17Å; D153-S155 WeakPolarHBondContact OD1-CB 3.35Å; D153-S155 PolarHBondContact OD1-N 2.77Å; D153-S155 PolarHBondContact OD1-OG 2.79Å
156	S	98	Very high	98.4	Very high	39 Å²	39	49.8 Å²	49.8	27%	0.273	29%	0.289	S	S	.	.			trans	-117.9	163.6	-177.6	74.8	0	0	0	0	112.2	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.32Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 2.79Å; N151-S156 PolarHBondContact ND2-OG 3.29Å; D153-S156 PolarHBondContact OD1-N 3.29Å; D153-S156 PolarHBondContact OD1-OG 2.8Å; D153-S156 PolarHBondContact OD2-OG 2.81Å
157	W	98.7	Very high	98.4	Very high	14 Å²	14	45 Å²	45	5%	0.053	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.3	-173	-63.2	97.8	0	0	0	111.9	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.33Å; I148-W157 HydrophobicContact CD1-CE3 4.1Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.42Å; I148-W157 HydrophobicContact CG1-CE3 4Å; A149-W157 WeakPolarHBondContact O-CA 3.42Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.08Å; L150-W157 HydrophobicContact CB-CZ3 3.64Å; L150-W157 HydrophobicContact CD1-CD2 4.28Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-W171 HydrophobicContact CD2-CE3 4.11Å; W157-W171 AromaticContact CE2-CE3 3.89Å; W157-W171 AromaticContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 4.09Å; W157-W171 HydrophobicContact CH2-CD2 4.46Å; W157-W171 AromaticContact CH2-CE3 3.31Å; W157-W171 HydrophobicContact CH2-CE3 3.31Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; W157-V176 HydrophobicContact CZ2-CB 4.32Å; W157-V176 HydrophobicContact CZ2-CG1 4.14Å; W157-A177 HydrophobicContact CZ2-CB 4.15Å; W157-L180 HydrophobicContact CH2-CD1 3.41Å; W157-L180 VanDerWaalsContact CH2-CD1 3.41Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	45.8 Å²	45.8	49%	0.485	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.7	164.7	-66.6	0	0	0	0	109.2	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.41Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; A149-T158 PolarHBondContact N-O 2.93Å; A149-T158 PolarHBondContact O-N 3.33Å; N151-T158 PolarHBondContact ND2-OG1 2.85Å; N151-T158 WeakPolarHBondContact OD1-CB 3.46Å; N151-T158 PolarHBondContact OD1-OG1 2.9Å
159	A	98.6	Very high	98.3	Very high	23 Å²	23	52.8 Å²	52.8	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.7	175.7	0	0	0	0	0	110.6	I148 A164 Q165 Q168	I148-A159 HydrophobicContact CG1-CB 4.5Å; A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 4.04Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.5	Very high	98.3	Very high	62 Å²	62	56.8 Å²	56.8	51%	0.512	31%	0.306	S	S	.	.	S	Bend	trans	-73.2	-30.8	-175.3	0	0	0	0	0	113.8	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 WeakPolarHBondContact O-CB 3.37Å; Y147-A160 PolarHBondContact O-N 2.86Å
161	D	98.3	Very high	98.3	Very high	51 Å²	51	58.8 Å²	58.8	27%	0.273	31%	0.313	S	S	.	.	S	Bend	trans	-149.5	-175.2	-177.9	69.6	29.9	0	0	0	113.8	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 2.93Å; Y109-D161 PolarHBondContact OH-OD2 2.6Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.95Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.29Å; D161-A163 PolarHBondContact OD1-N 3.32Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 3.33Å; D161-Q165 WeakPolarHBondContact O-CG 3.44Å; D161-Q165 PolarHBondContact O-N 3.48Å
162	T	98.1	Very high	98.3	Very high	110 Å²	110	61.1 Å²	61.1	68%	0.675	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.2	-178.9	51.4	0	0	0	0	114.4
163	A	97.9	Very high	98.3	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.033	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-40.9	173.2	0	0	0	0	0	110.6	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.38Å; Y109-A163 HydrophobicContact CD1-CB 4.22Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.69Å; Y109-A163 HydrophobicContact CE2-CB 3.94Å; Y147-A163 HydrophobicContact CE2-CB 4.4Å; Y147-A163 PolarHBondContact OH-O 2.91Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.95Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.29Å; D161-A163 PolarHBondContact OD1-N 3.32Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 3.39Å; A163-I166 WeakPolarHBondContact O-CB 3.5Å; A163-I166 PolarHBondContact O-N 2.91Å; A163-I166 VanDerWaalsContact O-N 3.09Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-37.3	172.1	0	0	0	0	0	112.4	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 HydrophobicContact CE2-CB 3.75Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 3.33Å; A164-I166 PolarHBondContact O-N 3.48Å; A164-I166 VanDerWaalsContact O-N 3.17Å; A164-T167 WeakPolarHBondContact O-CA 3.34Å; A164-T167 WeakPolarHBondContact O-CB 3.45Å; A164-T167 PolarHBondContact O-N 3.35Å; A164-Q168 PolarHBondContact O-N 3.48Å
165	Q	98.6	Very high	98.3	Very high	71 Å²	71	64.7 Å²	64.7	33%	0.332	35%	0.354	S	S	.	.	H	α-helix	trans	-58.7	-25.8	172.8	-74.3	174.3	18.2	0	0	113.7	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.04Å; D161-Q165 WeakPolarHBondContact O-CG 3.44Å; D161-Q165 PolarHBondContact O-N 3.48Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 3.39Å; Q165-R169 VanDerWaalsContact O-CG 3.29Å; Q165-R169 WeakPolarHBondContact O-CG 3.49Å; Q165-R169 PolarHBondContact O-N 3.22Å
166	I	98.4	Very high	98.4	Very high	60 Å²	60	62.6 Å²	62.6	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-71	-40.2	174	-55.2	170.9	0	0	0	110.1	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.12Å; Y108-I166 HydrophobicContact CE1-CD1 4.33Å; Y108-I166 HydrophobicContact CE1-CG2 3.95Å; Y108-I166 HydrophobicContact CE2-CB 4.1Å; Y108-I166 HydrophobicContact CE2-CG2 4.13Å; Y108-I166 HydrophobicContact CG-CD1 4.22Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.47Å; A163-I166 WeakPolarHBondContact O-CB 3.5Å; A163-I166 PolarHBondContact O-N 2.91Å; A163-I166 VanDerWaalsContact O-N 3.09Å; A164-I166 PolarHBondContact O-N 3.48Å; A164-I166 VanDerWaalsContact O-N 3.17Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 3.42Å
167	T	98.2	Very high	98.4	Very high	17 Å²	17	61.1 Å²	61.1	10%	0.104	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-46.1	174.4	-66.2	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 PolarHBondContact OH-OG1 2.94Å; I148-T167 HydrophobicContact CD1-CG2 4.24Å; A164-T167 WeakPolarHBondContact O-CA 3.34Å; A164-T167 WeakPolarHBondContact O-CB 3.45Å; A164-T167 PolarHBondContact O-N 3.35Å; T167-R169 PolarHBondContact O-N 3.07Å; T167-K170 WeakPolarHBondContact O-CB 3.33Å; T167-K170 PolarHBondContact O-N 3.15Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.72Å; T167-W171 HydrophobicContact CG2-CE3 4.2Å; T167-W171 HydrophobicContact CG2-CG 4.11Å; T167-W171 HydrophobicContact CG2-CH2 4.44Å; T167-W171 HydrophobicContact CG2-CZ2 3.95Å; T167-W171 WeakPolarHBondContact O-CB 3.48Å; T167-W171 PolarHBondContact O-N 3.21Å
168	Q	98.6	Very high	98.3	Very high	40 Å²	40	65.6 Å²	65.6	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-49.3	-55.8	175.2	175.9	173.2	9.2	0	0	111.9	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.87Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 3.48Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 2.99Å; Q168-W171 PolarHBondContact O-N 3.01Å; Q168-E172 HydrophobicContact CG-CG 4.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.11Å; Q168-E172 PolarHBondContact NE2-OE1 3.26Å; Q168-E172 WeakPolarHBondContact O-CB 2.99Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 3.35Å
169	R	98.6	Very high	98.3	Very high	151 Å²	151	68.2 Å²	68.2	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-59.5	-35.5	-179.4	-68.1	168.8	-164	151.5	11.4	112.9	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.29Å; Q165-R169 WeakPolarHBondContact O-CG 3.49Å; Q165-R169 PolarHBondContact O-N 3.22Å; T167-R169 PolarHBondContact O-N 3.07Å; R169-A173 VanDerWaalsContact O-CB 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 2.9Å; R169-A173 VanDerWaalsContact O-N 3.11Å
170	K	98.2	Very high	98.3	Very high	117 Å²	117	68.1 Å²	68.1	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-69.2	-41.3	175.3	-72.9	175.7	175.4	-175.8	0	111.6	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.32Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 3.42Å; T167-K170 WeakPolarHBondContact O-CB 3.33Å; T167-K170 PolarHBondContact O-N 3.15Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 2.99Å; K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.44Å
171	W	98.3	Very high	98.2	Very high	56 Å²	56	70 Å²	70	21%	0.212	35%	0.347	C	S	.	.	H	α-helix	trans	-73.3	-36.2	-178.6	-76.1	8.9	0	0	0	112.8	D140 I148 W157 T167 Q168 A174 R175 V176	D140-W171 WeakPolarHBondContact OD2-CH2 3.37Å; I148-W171 HydrophobicContact CD1-CE3 4.09Å; I148-W171 HydrophobicContact CD1-CZ3 4.41Å; I148-W171 HydrophobicContact CG2-CE3 4.43Å; I148-W171 HydrophobicContact CG2-CH2 4.15Å; I148-W171 HydrophobicContact CG2-CZ3 3.75Å; W157-W171 HydrophobicContact CD2-CE3 4.11Å; W157-W171 AromaticContact CE2-CE3 3.89Å; W157-W171 AromaticContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 4.09Å; W157-W171 HydrophobicContact CH2-CD2 4.46Å; W157-W171 AromaticContact CH2-CE3 3.31Å; W157-W171 HydrophobicContact CH2-CE3 3.31Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; T167-W171 HydrophobicContact CG2-CD2 3.72Å; T167-W171 HydrophobicContact CG2-CE3 4.2Å; T167-W171 HydrophobicContact CG2-CG 4.11Å; T167-W171 HydrophobicContact CG2-CH2 4.44Å; T167-W171 HydrophobicContact CG2-CZ2 3.95Å; T167-W171 WeakPolarHBondContact O-CB 3.48Å; T167-W171 PolarHBondContact O-N 3.21Å; Q168-W171 PolarHBondContact O-N 3.01Å; W171-A174 CarbonylContact O-C 3.47Å; W171-A174 PolarHBondContact O-N 3.45Å; W171-R175 PolarHBondContact O-N 2.91Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.94Å; W171-V176 HydrophobicContact CD2-CG1 4.29Å; W171-V176 HydrophobicContact CG-CB 4.12Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 2.8Å
172	E	98.5	Very high	98.3	Very high	92 Å²	92	70.7 Å²	70.7	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-50.4	169.6	-71	167.4	170.1	0	0	110.9	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.11Å; Q168-E172 PolarHBondContact NE2-OE1 3.26Å; Q168-E172 WeakPolarHBondContact O-CB 2.99Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 3.35Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 3.42Å; E172-R175 PolarHBondContact O-N 2.92Å
173	A	98.4	Very high	98.2	Very high	87 Å²	87	68.3 Å²	68.3	72%	0.719	34%	0.338	S	S	*	.	H	α-helix	trans	-61.2	-32.8	177.6	0	0	0	0	0	113.2	R169	R169-A173 VanDerWaalsContact O-CB 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 2.9Å; R169-A173 VanDerWaalsContact O-N 3.11Å
174	A	98.2	Very high	98.3	Very high	58 Å²	58	68.2 Å²	68.2	48%	0.479	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.1	176.7	0	0	0	0	0	114.3	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.44Å; W171-A174 CarbonylContact O-C 3.47Å; W171-A174 PolarHBondContact O-N 3.45Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 3.42Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.09Å; A174-V176 PolarHBondContact O-N 2.97Å
175	R	98	Very high	98.3	Very high	155 Å²	155	72.5 Å²	72.5	59%	0.585	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	38.1	-179.2	-63.7	172.3	172.3	-119.1	5.7	114.3	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.91Å; E172-R175 PolarHBondContact O-N 2.92Å; R175-A177 PolarHBondContact O-N 3.17Å; R175-E178 HydrophobicContact CB-CB 4.49Å; R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.32Å; R175-E178 IonicContact CZ-OE1 3.87Å; R175-E178 IonicContact NE-OE1 3.67Å; R175-E178 IonicContact NH1-OE1 3.73Å; R175-E178 PolarHBondContact NH1-OE1 3.24Å; R175-E178 IonicContact NH1-OE2 2.78Å; R175-E178 PolarHBondContact NH1-OE2 2.6Å; R175-E178 WeakPolarHBondContact O-CB 3.36Å; R175-E178 PolarHBondContact O-N 2.82Å; R175-E178 VanDerWaalsContact O-N 3.1Å
176	V	98.3	Very high	98.2	Very high	29 Å²	29	70.1 Å²	70.1	18%	0.176	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-35.4	-176.6	176.6	0	0	0	0	112	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.32Å; W157-V176 HydrophobicContact CZ2-CG1 4.14Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.94Å; W171-V176 HydrophobicContact CD2-CG1 4.29Å; W171-V176 HydrophobicContact CG-CB 4.12Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 2.8Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.09Å; A174-V176 PolarHBondContact O-N 2.97Å; V176-E178 VanDerWaalsContact C-N 3.32Å; V176-E178 PolarHBondContact O-N 2.89Å; V176-Q179 PolarHBondContact O-N 3.03Å; V176-L180 HydrophobicContact CG1-CD1 3.82Å; V176-L180 HydrophobicContact CG1-CG 4.2Å; V176-L180 WeakPolarHBondContact O-CG 3.49Å; V176-L180 PolarHBondContact O-N 2.97Å
177	A	98.4	Very high	98.2	Very high	8 Å²	8	72 Å²	72	7%	0.066	36%	0.362	C	S	.	.	H	α-helix	trans	-60.6	-36.8	177.1	0	0	0	0	0	113	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.91Å; W157-A177 HydrophobicContact CZ2-CB 4.15Å; R175-A177 PolarHBondContact O-N 3.17Å; A177-Q179 VanDerWaalsContact C-N 3.31Å; A177-Q179 PolarHBondContact O-N 3.1Å; A177-L180 PolarHBondContact O-N 3.5Å; A177-R181 WeakPolarHBondContact O-CB 3.37Å; A177-R181 PolarHBondContact O-N 3.49Å
178	E	98.1	Very high	98.2	Very high	108 Å²	108	71.2 Å²	71.2	51%	0.505	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-38.7	176.8	-63.3	176.3	-160.5	0	0	111.5	R175 V176 A182	R175-E178 HydrophobicContact CB-CB 4.49Å; R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.32Å; R175-E178 IonicContact CZ-OE1 3.87Å; R175-E178 IonicContact NE-OE1 3.67Å; R175-E178 IonicContact NH1-OE1 3.73Å; R175-E178 PolarHBondContact NH1-OE1 3.24Å; R175-E178 IonicContact NH1-OE2 2.78Å; R175-E178 PolarHBondContact NH1-OE2 2.6Å; R175-E178 WeakPolarHBondContact O-CB 3.36Å; R175-E178 PolarHBondContact O-N 2.82Å; R175-E178 VanDerWaalsContact O-N 3.1Å; V176-E178 VanDerWaalsContact C-N 3.32Å; V176-E178 PolarHBondContact O-N 2.89Å; E178-A182 WeakPolarHBondContact O-CB 3.2Å; E178-A182 PolarHBondContact O-N 3.39Å; E178-A182 VanDerWaalsContact O-N 3.1Å
179	Q	97.4	Very high	98.2	Very high	133 Å²	133	69.6 Å²	69.6	62%	0.621	35%	0.35	S	S	*	.	H	α-helix	trans	-71.4	-43.8	178.6	-58.1	180	13.8	0	0	111.8	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 3.03Å; A177-Q179 VanDerWaalsContact C-N 3.31Å; A177-Q179 PolarHBondContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 3.04Å; Q179-Y183 PolarHBondContact O-N 3.12Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å
180	L	98.1	Very high	98.1	Very high	21 Å²	21	68 Å²	68	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-43.7	177.1	-69	170.2	0	0	0	111.2	D138 L150 W157 V176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.16Å; D138-L180 VanDerWaalsContact OD2-CD1 3.24Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.33Å; L150-L180 HydrophobicContact CD2-CB 4.2Å; L150-L180 HydrophobicContact CD2-CD1 4.42Å; W157-L180 HydrophobicContact CH2-CD1 3.41Å; W157-L180 VanDerWaalsContact CH2-CD1 3.41Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å; V176-L180 HydrophobicContact CG1-CD1 3.82Å; V176-L180 HydrophobicContact CG1-CG 4.2Å; V176-L180 WeakPolarHBondContact O-CG 3.49Å; V176-L180 PolarHBondContact O-N 2.97Å; A177-L180 PolarHBondContact O-N 3.5Å; L180-A182 PolarHBondContact O-N 3.42Å; L180-Y183 WeakPolarHBondContact O-CB 3.48Å; L180-Y183 PolarHBondContact O-N 2.86Å; L180-Y183 VanDerWaalsContact O-N 3.17Å; L180-L184 WeakPolarHBondContact O-CB 3.26Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 2.7Å
181	R	98.3	Very high	98.1	Very high	103 Å²	103	64 Å²	64	39%	0.389	34%	0.336	S	S	.	.	H	α-helix	trans	-56	-48.8	173.9	-179	178	176.5	145.4	16.7	111.7	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.95Å; L154-R181 HydrophobicContact CD1-CG 4.36Å; A177-R181 WeakPolarHBondContact O-CB 3.37Å; A177-R181 PolarHBondContact O-N 3.49Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 3.45Å; R181-L184 PolarHBondContact O-N 3.1Å; R181-L184 VanDerWaalsContact O-N 3.16Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 VanDerWaalsContact CG-OE2 3.27Å; R181-E185 WeakPolarHBondContact CG-OE2 3.5Å; R181-E185 IonicContact CZ-OE1 2.69Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.55Å; R181-E185 IonicContact NE-OE1 3.5Å; R181-E185 PolarHBondContact NE-OE1 2.97Å; R181-E185 IonicContact NE-OE2 3.85Å; R181-E185 PolarHBondContact NE-OE2 3.44Å; R181-E185 IonicContact NH2-OE1 3.53Å; R181-E185 PolarHBondContact NH2-OE1 3.26Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 PolarHBondContact O-N 3.4Å
182	A	98.3	Very high	98.1	Very high	65 Å²	65	61.4 Å²	61.4	54%	0.537	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-36	178	0	0	0	0	0	112.9	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.2Å; E178-A182 PolarHBondContact O-N 3.39Å; E178-A182 VanDerWaalsContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 3.04Å; L180-A182 PolarHBondContact O-N 3.42Å; A182-G186 PolarHBondContact O-N 3.25Å
183	Y	98.1	Very high	98	Very high	60 Å²	60	62.6 Å²	62.6	24%	0.235	33%	0.327	C	S	.	.	I	π-helix	trans	-68.7	-45.8	172.2	172	-96.9	0	0	0	112.4	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.7Å; Y123-Y183 HydrophobicContact CE2-CE1 3.7Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å; Q179-Y183 PolarHBondContact O-N 3.12Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å; L180-Y183 WeakPolarHBondContact O-CB 3.48Å; L180-Y183 PolarHBondContact O-N 2.86Å; L180-Y183 VanDerWaalsContact O-N 3.17Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 3.45Å; Y183-G186 CarbonylContact O-C 3.53Å; Y183-L187 HydrophobicContact CD2-CB 3.84Å; Y183-L187 HydrophobicContact CD2-CD1 4.23Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 3.44Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.28Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.47Å; Y183-C188 PolarHBondContact O-N 3.09Å
184	L	98.5	Very high	97.9	Very high	1 Å²	1	65 Å²	65	1%	0.005	32%	0.317	C	S	.	.	I	π-helix	trans	-71.5	-41.7	-174.4	-70.5	172	0	0	0	112.8	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.39Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 4.05Å; L180-L184 WeakPolarHBondContact O-CB 3.26Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 2.7Å; R181-L184 PolarHBondContact O-N 3.1Å; R181-L184 VanDerWaalsContact O-N 3.16Å; L184-V189 WeakPolarHBondContact O-CG2 3.35Å
185	E	98.1	Very high	97.9	Very high	90 Å²	90	62.4 Å²	62.4	42%	0.421	30%	0.295	S	S	.	.	I	π-helix	trans	-75.9	-27.1	176.6	-68.7	-179.6	149.9	0	0	112.8	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.47Å; L133-E185 HydrophobicContact CD2-CG 3.75Å; L154-E185 HydrophobicContact CD1-CG 4.19Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 VanDerWaalsContact CG-OE2 3.27Å; R181-E185 WeakPolarHBondContact CG-OE2 3.5Å; R181-E185 IonicContact CZ-OE1 2.69Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.55Å; R181-E185 IonicContact NE-OE1 3.5Å; R181-E185 PolarHBondContact NE-OE1 2.97Å; R181-E185 IonicContact NE-OE2 3.85Å; R181-E185 PolarHBondContact NE-OE2 3.44Å; R181-E185 IonicContact NH2-OE1 3.53Å; R181-E185 PolarHBondContact NH2-OE1 3.26Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 PolarHBondContact O-N 3.4Å
186	G	97.8	Very high	97.8	Very high	21 Å²	21	55.7 Å²	55.7	22%	0.216	27%	0.271	C	S	.	.	I	π-helix	trans	-106.3	-96.5	-178.4	0	0	0	0	0	113.5	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.25Å; Y183-G186 CarbonylContact O-C 3.53Å; G186-C188 VanDerWaalsContact C-N 3.25Å; G186-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact O-N 3.1Å; G186-V189 PolarHBondContact O-N 3.16Å; G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 2.82Å
187	L	97.2	Very high	97.7	Very high	100 Å²	100	59.6 Å²	59.6	52%	0.524	29%	0.287	S	S	.	.	I	π-helix	trans	-53.8	-35	-168.9	-72.9	173.7	0	0	0	114.6	Y183 S191	Y183-L187 HydrophobicContact CD2-CB 3.84Å; Y183-L187 HydrophobicContact CD2-CD1 4.23Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 3.44Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; L187-S191 VanDerWaalsContact O-CB 3.24Å; L187-S191 WeakPolarHBondContact O-CB 3.33Å; L187-S191 PolarHBondContact O-N 3.34Å; L187-S191 PolarHBondContact O-OG 3.17Å
188	C	98.4	Very high	97.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-64.6	-51.2	177	-171.6	0	0	0	0	111	M29 C125 Y183 G186 E190 S191 L192	M29-C188 HydrophobicContact CE-CB 4.24Å; M29-C188 WeakPolarHBondContact CE-O 3.36Å; M29-C188 VanDerWaalsContact CE-SG 3.53Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 3.21Å; C125-C188 PolarHBondContact N-SG 3.31Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.93Å; Y183-C188 HydrophobicContact CD1-CB 4.28Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.47Å; Y183-C188 PolarHBondContact O-N 3.09Å; G186-C188 VanDerWaalsContact C-N 3.25Å; G186-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact O-N 3.1Å; C188-E190 PolarHBondContact O-N 3.33Å; C188-S191 PolarHBondContact O-N 2.85Å; C188-L192 WeakPolarHBondContact O-CB 3.37Å; C188-L192 PolarHBondContact O-N 2.04Å
189	V	98.4	Very high	97.4	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-43.2	178.5	171.8	0	0	0	0	111.2	C125 V127 G131 L133 L184 G186 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.44Å; V127-V189 HydrophobicContact CG1-CB 4.36Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.92Å; G131-V189 WeakPolarHBondContact O-CG1 3.38Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 3.82Å; L133-V189 HydrophobicContact CG-CG2 4.49Å; L184-V189 WeakPolarHBondContact O-CG2 3.35Å; G186-V189 PolarHBondContact O-N 3.16Å; V189-L192 PolarHBondContact O-N 3.16Å; V189-R193 WeakPolarHBondContact O-CB 3.03Å; V189-R193 VanDerWaalsContact O-CG 3.26Å; V189-R193 WeakPolarHBondContact O-CG 3.25Å; V189-R193 PolarHBondContact O-N 2.9Å
190	E	98	Very high	97.3	Very high	117 Å²	117	54.7 Å²	54.7	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-44.3	176.6	-69.4	176.1	173.2	0	0	112.2	G186 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 2.82Å; C188-E190 PolarHBondContact O-N 3.33Å; E190-R194 WeakPolarHBondContact O-CB 3.28Å; E190-R194 PolarHBondContact O-N 2.85Å
191	S	97.1	Very high	97	Very high	34 Å²	34	61.8 Å²	61.8	24%	0.238	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-43.1	179	-56.2	0	0	0	0	111.5	L187 C188 R194 H195	L187-S191 VanDerWaalsContact O-CB 3.24Å; L187-S191 WeakPolarHBondContact O-CB 3.33Å; L187-S191 PolarHBondContact O-N 3.34Å; L187-S191 PolarHBondContact O-OG 3.17Å; C188-S191 PolarHBondContact O-N 2.85Å; S191-R194 WeakPolarHBondContact O-CB 3.4Å; S191-R194 PolarHBondContact O-N 3.17Å; S191-H195 WeakPolarHBondContact O-CB 3.21Å; S191-H195 PolarHBondContact O-N 2.9Å; S191-H195 PolarHBondContact O-ND1 3.1Å
192	L	98.2	Very high	96.7	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-47.7	175.7	174.3	52.1	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 H195 L196	H27-L192 HydrophobicContact CB-CD1 4.39Å; M29-L192 HydrophobicContact CB-CB 3.98Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.06Å; M29-L192 HydrophobicContact CB-CG 4.22Å; V52-L192 HydrophobicContact CG1-CD1 3.57Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.96Å; V127-L192 HydrophobicContact CG2-CD2 3.6Å; V127-L192 HydrophobicContact CG2-CG 4.15Å; C188-L192 WeakPolarHBondContact O-CB 3.37Å; C188-L192 PolarHBondContact O-N 2.04Å; V189-L192 PolarHBondContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.74Å; L192-H195 PolarHBondContact O-N 2.83Å; L192-H195 VanDerWaalsContact O-N 3.17Å; L192-L196 HydrophobicContact CD1-CD1 3.77Å; L192-L196 HydrophobicContact CD1-CD2 4.31Å; L192-L196 HydrophobicContact CD1-CG 3.78Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.41Å; L192-L196 WeakPolarHBondContact O-CB 3.07Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 2.96Å
193	R	97.1	Very high	96.5	Very high	118 Å²	118	56.1 Å²	56.1	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-44.3	175	-72.2	171.7	-177.8	-174.9	3.1	112.4	G131 V189 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.3Å; G131-R193 PolarHBondContact O-NE 2.85Å; G131-R193 PolarHBondContact O-NH2 3.09Å; V189-R193 WeakPolarHBondContact O-CB 3.03Å; V189-R193 VanDerWaalsContact O-CG 3.26Å; V189-R193 WeakPolarHBondContact O-CG 3.25Å; V189-R193 PolarHBondContact O-N 2.9Å; R193-L196 PolarHBondContact O-N 3.17Å; R193-E197 PolarHBondContact O-N 3.13Å; R193-E197 VanDerWaalsContact O-N 3.12Å
194	R	96.6	Very high	96.2	Very high	137 Å²	137	57.6 Å²	57.6	52%	0.517	28%	0.275	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.1	178.1	-176.6	175.1	102.3	-6.5	111.4	E79 E190 S191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.27Å; E79-R194 IonicContact OE1-NE 3.7Å; E79-R194 PolarHBondContact OE1-NE 3.06Å; E79-R194 IonicContact OE1-NH2 3.04Å; E79-R194 PolarHBondContact OE1-NH2 3.25Å; E79-R194 IonicContact OE2-CZ 2.88Å; E79-R194 IonicContact OE2-NE 3.75Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 3.28Å; E190-R194 WeakPolarHBondContact O-CB 3.28Å; E190-R194 PolarHBondContact O-N 2.85Å; S191-R194 WeakPolarHBondContact O-CB 3.4Å; S191-R194 PolarHBondContact O-N 3.17Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.74Å; R194-E197 PolarHBondContact O-N 3.4Å; R194-N198 VanDerWaalsContact O-CB 3.23Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 2.99Å; R194-N198 PolarHBondContact O-OD1 3.28Å
195	H	96.9	Very high	95.9	Very high	4 Å²	4	63 Å²	63	2%	0.019	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-38.9	179.2	-66.3	-8.6	0	0	0	112.3	V52 F57 W75 I76 S191 L192 N198 G199 L203	V52-H195 HydrophobicContact CG2-CB 4.15Å; F57-H195 AromaticContact CE2-CD2 3.74Å; F57-H195 AromaticContact CE2-NE2 3.53Å; F57-H195 AromaticContact CZ-CD2 3.93Å; F57-H195 AromaticContact CZ-NE2 4Å; W75-H195 HydrophobicContact CE3-CB 4.32Å; W75-H195 HydrophobicContact CH2-CB 3.96Å; W75-H195 HydrophobicContact CZ3-CB 3.56Å; W75-H195 AromaticContact CZ3-CD2 3.97Å; W75-H195 AromaticContact CZ3-CG 3.56Å; W75-H195 AromaticContact CZ3-ND1 3.97Å; I76-H195 WeakPolarHBondContact CD1-CE1 3.35Å; S191-H195 WeakPolarHBondContact O-CB 3.21Å; S191-H195 PolarHBondContact O-N 2.9Å; S191-H195 PolarHBondContact O-ND1 3.1Å; L192-H195 PolarHBondContact O-N 2.83Å; L192-H195 VanDerWaalsContact O-N 3.17Å; H195-N198 PolarHBondContact O-N 3.17Å; H195-G199 WeakPolarHBondContact O-CA 3.49Å; H195-G199 PolarHBondContact O-N 3.37Å; H195-L203 WeakPolarHBondContact O-CD1 3.24Å
196	L	96.5	Very high	95.8	Very high	14 Å²	14	60.1 Å²	60.1	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-37.8	175.6	-71.8	168.7	0	0	0	113.1	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.97Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V127-L196 HydrophobicContact CG2-CD1 4.5Å; L192-L196 HydrophobicContact CD1-CD1 3.77Å; L192-L196 HydrophobicContact CD1-CD2 4.31Å; L192-L196 HydrophobicContact CD1-CG 3.78Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.41Å; L192-L196 WeakPolarHBondContact O-CB 3.07Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 2.96Å; R193-L196 PolarHBondContact O-N 3.17Å; L196-K200 VanDerWaalsContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CA 3.38Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-K200 VanDerWaalsContact O-N 3.13Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.26Å; L196-Q204 PolarHBondContact O-NE2 3.48Å
197	E	95.9	Very high	95.7	Very high	111 Å²	111	61 Å²	61	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-75.1	-44.8	174.7	-170.1	61.2	-160.2	0	0	111.1	R193 R194 G199 K200	R193-E197 PolarHBondContact O-N 3.13Å; R193-E197 VanDerWaalsContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 3.4Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.03Å; E197-K200 WeakPolarHBondContact O-CB 3.49Å; E197-K200 PolarHBondContact O-N 3.4Å; E197-K200 IonicContact OE1-NZ 2.96Å; E197-K200 PolarHBondContact OE1-NZ 3Å; E197-K200 VanDerWaalsContact OE1-NZ 3.17Å; E197-K200 IonicContact OE2-NZ 3.34Å; E197-K200 PolarHBondContact OE2-NZ 2.97Å
198	N	96.2	Very high	95.7	Very high	51 Å²	51	59.2 Å²	59.2	27%	0.273	28%	0.281	S	S	.	.	H	α-helix	trans	-57.3	-38.4	175.3	-78.2	5.4	0	0	0	113	W75 Q78 R194 H195	W75-N198 WeakPolarHBondContact CB-O 3.4Å; Q78-N198 VanDerWaalsContact NE2-CB 3.34Å; Q78-N198 VanDerWaalsContact NE2-CG 3.35Å; R194-N198 VanDerWaalsContact O-CB 3.23Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 2.99Å; R194-N198 PolarHBondContact O-OD1 3.28Å; H195-N198 PolarHBondContact O-N 3.17Å
199	G	95.4	Very high	95.7	Very high	3 Å²	3	59.7 Å²	59.7	3%	0.031	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	11.4	-175.5	0	0	0	0	0	114.8	W75 H195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CG-CA 3.49Å; H195-G199 WeakPolarHBondContact O-CA 3.49Å; H195-G199 PolarHBondContact O-N 3.37Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.03Å; G199-E201 PolarHBondContact O-N 2.92Å; G199-T202 CarbonylContact O-C 3.54Å; G199-T202 WeakPolarHBondContact O-CA 3.26Å; G199-T202 PolarHBondContact O-N 2.69Å; G199-T202 PolarHBondContact O-OG1 2.91Å; G199-L203 PolarHBondContact O-N 3.19Å
200	K	93.9	Very high	95.7	Very high	91 Å²	91	66.9 Å²	66.9	40%	0.396	32%	0.315	S	S	.	.	H	α-helix	trans	-46.7	-46.9	-167.3	-175	171	-158.5	153.8	0	116	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CA 3.38Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-K200 VanDerWaalsContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.49Å; E197-K200 PolarHBondContact O-N 3.4Å; E197-K200 IonicContact OE1-NZ 2.96Å; E197-K200 PolarHBondContact OE1-NZ 3Å; E197-K200 VanDerWaalsContact OE1-NZ 3.17Å; E197-K200 IonicContact OE2-NZ 3.34Å; E197-K200 PolarHBondContact OE2-NZ 2.97Å; K200-T202 PolarHBondContact O-N 3.22Å; K200-T202 VanDerWaalsContact O-N 3.09Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3.11Å
201	E	91.8	Very high	95.7	Very high	171 Å²	171	63 Å²	63	80%	0.799	30%	0.299	S	S	*	.	H	α-helix	trans	-60.6	-20	178.9	-59.6	-172	157.2	0	0	114	G199 R205	G199-E201 PolarHBondContact O-N 2.92Å; E201-R205 PolarHBondContact O-NH1 3.44Å
202	T	92.2	Very high	95.7	Very high	44 Å²	44	65.2 Å²	65.2	27%	0.27	31%	0.306	S	S	.	.	H	α-helix	trans	-104.1	-67.6	174.7	58.7	0	0	0	0	110.7	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.54Å; G199-T202 WeakPolarHBondContact O-CA 3.26Å; G199-T202 PolarHBondContact O-N 2.69Å; G199-T202 PolarHBondContact O-OG1 2.91Å; K200-T202 PolarHBondContact O-N 3.22Å; K200-T202 VanDerWaalsContact O-N 3.09Å; T202-Q204 VanDerWaalsContact C-N 3.35Å; T202-Q204 PolarHBondContact O-N 2.84Å; T202-R205 WeakPolarHBondContact O-CB 3.12Å; T202-R205 PolarHBondContact O-N 3.04Å; T202-R263 PolarHBondContact O-NH1 3.17Å; T202-R263 PolarHBondContact O-NH2 2.95Å
203	L	93.2	Very high	95.7	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-36.5	-167.3	-61.8	173.6	0	0	0	113.6	V52 T55 W75 H195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.22Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; W75-L203 HydrophobicContact CD2-CD1 4.38Å; W75-L203 HydrophobicContact CH2-CD1 4.28Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.06Å; W75-L203 HydrophobicContact CZ2-CG 4.33Å; H195-L203 WeakPolarHBondContact O-CD1 3.24Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.26Å; G199-L203 PolarHBondContact O-N 3.19Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.88Å
204	Q	91.9	Very high	95.7	Very high	92 Å²	92	62.3 Å²	62.3	43%	0.43	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	16.6	178.7	-58.4	178.4	36.1	0	0	112.5	L196 K200 T202	L196-Q204 PolarHBondContact O-NE2 3.48Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3.11Å; T202-Q204 VanDerWaalsContact C-N 3.35Å; T202-Q204 PolarHBondContact O-N 2.84Å
205	R	93.1	Very high	95.7	Very high	115 Å²	115	58.3 Å²	58.3	43%	0.434	29%	0.288	S	S	.	.			trans	-114.4	111.5	177.3	-167.6	-173	80.9	-137.5	6.2	110.6	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 3.44Å; T202-R205 WeakPolarHBondContact O-CB 3.12Å; T202-R205 PolarHBondContact O-N 3.04Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.88Å; R205-D207 IonicContact CZ-OD1 2.75Å; R205-D207 IonicContact CZ-OD2 2.7Å; R205-D207 IonicContact NE-OD1 3.52Å; R205-D207 PolarHBondContact NE-OD1 3.5Å; R205-D207 IonicContact NE-OD2 3.47Å; R205-D207 IonicContact NH2-OD1 3.89Å; R205-D207 PolarHBondContact NH2-OD1 2.66Å; R205-D207 IonicContact NH2-OD2 3.32Å; R205-D207 PolarHBondContact NH2-OD2 2.77Å; R205-Y233 WeakPolarHBondContact O-CD1 3.35Å
206	A	95.1	Very high	95.6	Very high	29 Å²	29	61.9 Å²	61.9	24%	0.24	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-79.5	128.6	165.3	0	0	0	0	0	110.3	Y233 E288	A206-Y233 CarbonylContact C-O 3.49Å; A206-Y233 WeakPolarHBondContact CA-O 3.35Å; A206-E288 HydrophobicContact CB-CB 4.28Å; A206-E288 HydrophobicContact CB-CG 4.49Å
207	D	96.4	Very high	95.4	Very high	38 Å²	38	65.8 Å²	65.8	20%	0.203	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-102.6	118.9	174.9	-69.6	-38.9	0	0	0	108	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.75Å; R205-D207 IonicContact CZ-OD2 2.7Å; R205-D207 IonicContact NE-OD1 3.52Å; R205-D207 PolarHBondContact NE-OD1 3.5Å; R205-D207 IonicContact NE-OD2 3.47Å; R205-D207 IonicContact NH2-OD1 3.89Å; R205-D207 PolarHBondContact NH2-OD1 2.66Å; R205-D207 IonicContact NH2-OD2 3.32Å; R205-D207 PolarHBondContact NH2-OD2 2.77Å; D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.18Å; D207-F232 WeakPolarHBondContact O-CB 3.27Å; D207-Y233 PolarHBondContact N-O 3.41Å; D207-Y233 PolarHBondContact O-N 3.23Å; D207-H287 PolarHBondContact O-CE1 2.83Å; D207-H287 VanDerWaalsContact O-CE1 3.25Å
208	P	97.6	Very high	95.2	Very high	64 Å²	64	65 Å²	65	42%	0.416	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-73.1	150	-174.4	24.8	-32.6	0	0	0	113.9	K210 L290	P208-K210 PolarHBondContact O-N 3.03Å; P208-L290 HydrophobicContact CB-CD2 3.92Å
209	P	98.3	Very high	95.1	Very high	9 Å²	9	65 Å²	65	6%	0.058	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-67.4	132.7	179.2	28.2	-36.3	0	0	0	112.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 2.85Å; P209-A229 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CB 3.91Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.18Å; P209-I237 HydrophobicContact CB-CD1 4.09Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; P209-V285 HydrophobicContact CG-CG1 4.01Å; P209-H287 WeakPolarHBondContact CD-ND1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.07Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.28Å; P209-L290 HydrophobicContact CG-CG 4.13Å
210	K	98.3	Very high	94.8	Very high	158 Å²	158	71.9 Å²	71.9	69%	0.687	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	103.2	164.4	-63.4	170.4	-172.7	166.6	0	107.9	P208 L230	P208-K210 PolarHBondContact O-N 3.03Å; K210-L230 WeakPolarHBondContact CB-O 3.41Å; K210-L230 PolarHBondContact N-O 3.11Å; K210-L230 PolarHBondContact O-N 3.12Å; K210-L230 VanDerWaalsContact O-N 3.12Å
211	T	98.1	Very high	94.7	Very high	36 Å²	36	74.5 Å²	74.5	22%	0.221	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.9	-172.5	52.5	0	0	0	0	113	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 2.85Å; T211-W228 WeakPolarHBondContact CA-O 3.33Å; T211-A229 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CB 4.31Å; T211-V285 HydrophobicContact CG2-CG1 4.07Å; T211-V285 HydrophobicContact CG2-CG2 3.98Å; T211-L294 HydrophobicContact CG2-CD1 4.21Å; T211-L296 HydrophobicContact CG2-CD1 4.39Å
212	H	97.3	Very high	94.9	Very high	81 Å²	81	70.9 Å²	70.9	38%	0.375	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	161	171	64.9	-75.6	0	0	0	111.1	W228	H212-W228 VanDerWaalsContact CE1-CB 3.47Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.16Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.78Å; H212-W228 PolarHBondContact O-N 2.84Å
213	V	98.1	Very high	95.1	Very high	22 Å²	22	69 Å²	69	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.5	176.7	179.9	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.34Å; V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.19Å; V213-C227 HydrophobicContact CG2-CB 4.38Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; V213-L296 HydrophobicContact CG2-CB 3.87Å; V213-L296 HydrophobicContact CG2-CD2 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.87Å
214	T	96.8	Very high	95.3	Very high	35 Å²	35	69.9 Å²	69.9	22%	0.215	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	149.6	171	64	0	0	0	0	110.9	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.41Å; T214-H216 PolarHBondContact OG1-NE2 2.88Å; T214-L225 WeakPolarHBondContact O-CA 3.45Å; T214-R226 PolarHBondContact N-O 3.17Å; T214-R226 PolarHBondContact O-N 3.05Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å
215	H	96.1	Very high	95.6	Very high	53 Å²	53	65.5 Å²	65.5	25%	0.245	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.4	-177.7	166.5	-79.7	0	0	0	109.5	T224 L225 W298	H215-T224 WeakPolarHBondContact CA-O 3.49Å; H215-L225 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CD2 4.16Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.13Å; H215-W298 VanDerWaalsContact CB-NE1 3.31Å; H215-W298 AromaticContact CD2-CE2 3.82Å; H215-W298 AromaticContact CD2-CH2 3.94Å; H215-W298 AromaticContact CD2-CZ2 3.79Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact CG-NE1 3.97Å
216	H	94.9	Very high	95.8	Very high	78 Å²	78	62.4 Å²	62.4	36%	0.361	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	108	-176.5	-54.8	-78.7	0	0	0	110	T214 I218 V223 T224 R226	T214-H216 WeakPolarHBondContact CB-NE2 3.41Å; T214-H216 PolarHBondContact OG1-NE2 2.88Å; H216-I218 PolarHBondContact O-N 2.85Å; H216-V223 CarbonylContact O-C 3.53Å; H216-V223 WeakPolarHBondContact O-CA 3.38Å; H216-T224 PolarHBondContact N-O 2.86Å; H216-T224 PolarHBondContact O-N 2.89Å; H216-R226 PolarHBondContact CD2-NH1 3.09Å; H216-R226 PolarHBondContact NE2-NH1 2.77Å
217	P	93.8	Very high	96	Very high	97 Å²	97	61 Å²	61	63%	0.63	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	133.6	173.6	-22	33	0	0	0	111.6	V223	P217-V223 HydrophobicContact CB-CG1 4.46Å
218	I	91.6	Very high	96.1	Very high	95 Å²	95	61.5 Å²	61.5	49%	0.487	32%	0.315	S	S	.	.	S	Bend	trans	-100.1	-45.6	171	-57.4	160.7	0	0	0	109.2	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.85Å; I218-E222 HydrophobicContact CB-CB 4.48Å; I218-E222 WeakPolarHBondContact CB-O 3.46Å; I218-E222 HydrophobicContact CD1-CB 4.42Å; I218-E222 PolarHBondContact N-O 3.37Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.43Å; I218-V272 HydrophobicContact CD1-CG1 3.87Å; I218-V272 HydrophobicContact CD1-CG2 4Å
219	S	92.4	Very high	96.1	Very high	49 Å²	49	58.5 Å²	58.5	34%	0.343	30%	0.295	S	S	.	.	S	Bend	trans	-146.9	-179.1	178.6	72.5	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.36Å; S219-H221 PolarHBondContact OG-N 3.22Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 2.86Å; S219-E222 PolarHBondContact OG-N 3.08Å
220	D	89.9	Confident	96.1	Very high	148 Å²	148	60.7 Å²	60.7	79%	0.791	31%	0.307	S	S	*	.	S	Bend	trans	-62.3	-19.6	172.2	-63.8	-27.8	0	0	0	112.7	S275	D220-S275 WeakPolarHBondContact O-CB 3.19Å; D220-S275 PolarHBondContact O-OG 3.3Å
221	H	92.8	Very high	96.1	Very high	147 Å²	147	54.2 Å²	54.2	68%	0.681	29%	0.285	S	S	*	.	S	Bend	trans	-108.8	-15.5	-174.1	-56.2	-41	0	0	0	114.5	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.36Å; S219-H221 PolarHBondContact OG-N 3.22Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; H221-S275 WeakPolarHBondContact CA-OG 3.39Å; H221-S275 PolarHBondContact O-N 2.87Å; H221-S275 PolarHBondContact O-OG 3.37Å
222	E	95	Very high	96.1	Very high	95 Å²	95	52.5 Å²	52.5	44%	0.444	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.2	-172.2	-67.6	-179.9	166.9	0	0	112.3	I218 S219 V272 V273 S275	I218-E222 HydrophobicContact CB-CB 4.48Å; I218-E222 WeakPolarHBondContact CB-O 3.46Å; I218-E222 HydrophobicContact CD1-CB 4.42Å; I218-E222 PolarHBondContact N-O 3.37Å; S219-E222 PolarHBondContact N-O 2.86Å; S219-E222 PolarHBondContact OG-N 3.08Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 WeakPolarHBondContact CA-O 3.46Å; E222-S275 PolarHBondContact N-OG 3.19Å
223	V	96.4	Very high	96.1	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.8	176.1	-48.6	0	0	0	0	110.1	H216 P217 V273 E278	H216-V223 CarbonylContact O-C 3.53Å; H216-V223 WeakPolarHBondContact O-CA 3.38Å; P217-V223 HydrophobicContact CB-CG1 4.46Å; V223-V273 HydrophobicContact CG2-CG2 3.42Å; V223-V273 VanDerWaalsContact CG2-CG2 3.42Å; V223-V273 PolarHBondContact N-O 3.32Å; V223-V273 PolarHBondContact O-N 2.7Å; V223-E278 HydrophobicContact CG2-CG 3.85Å
224	T	97.5	Very high	96	Very high	21 Å²	21	48.6 Å²	48.6	13%	0.129	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.8	169.2	-48	0	0	0	0	109.9	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.49Å; H216-T224 PolarHBondContact N-O 2.86Å; H216-T224 PolarHBondContact O-N 2.89Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.43Å; T224-A270 HydrophobicContact CG2-CB 3.85Å; T224-V271 WeakPolarHBondContact CA-O 3.32Å
225	L	98.1	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.3	161.8	-60.6	-175.4	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.34Å; T214-L225 WeakPolarHBondContact O-CA 3.45Å; H215-L225 HydrophobicContact CB-CD2 4.11Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.75Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.46Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 2.92Å; L225-V271 PolarHBondContact O-N 2.87Å; L225-V273 HydrophobicContact CD1-CG1 4.14Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.26Å; L225-V273 HydrophobicContact CG-CG2 3.93Å; L225-E278 HydrophobicContact CD1-CB 4.07Å; L225-E278 HydrophobicContact CD2-CB 4.37Å; L225-E278 HydrophobicContact CD2-CG 4.25Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.89Å; L225-W298 HydrophobicContact CD2-CD2 4.48Å; L225-W298 HydrophobicContact CD2-CG 4.08Å
226	R	98.3	Very high	96	Very high	50 Å²	50	51.9 Å²	51.9	19%	0.189	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.2	176.2	-177.5	179	-67.8	108.6	1.2	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.19Å; T214-R226 PolarHBondContact N-O 3.17Å; T214-R226 PolarHBondContact O-N 3.05Å; H216-R226 PolarHBondContact CD2-NH1 3.09Å; H216-R226 PolarHBondContact NE2-NH1 2.77Å; R226-W228 VanDerWaalsContact CD-CE2 3.46Å; R226-W228 VanDerWaalsContact CD-CZ2 3.46Å; R226-W228 HydrophobicContact CG-CZ2 4.47Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.05Å; R226-W268 HydrophobicContact CG-CE3 3.82Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.5Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227	C	98.3	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.4	173.9	-173	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.38Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.06Å; C227-W268 WeakPolarHBondContact O-CB 3.24Å; C227-A269 PolarHBondContact N-O 2.98Å; C227-A269 PolarHBondContact O-N 3.45Å; C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.37Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 3.34Å
228	W	98.5	Very high	96.3	Very high	49 Å²	49	46.7 Å²	46.7	19%	0.186	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.6	178.6	-68.5	88.2	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.33Å; H212-W228 VanDerWaalsContact CE1-CB 3.47Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.16Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.78Å; H212-W228 PolarHBondContact O-N 2.84Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å; R226-W228 VanDerWaalsContact CD-CE2 3.46Å; R226-W228 VanDerWaalsContact CD-CZ2 3.46Å; R226-W228 HydrophobicContact CG-CZ2 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.45Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.92Å; W228-W268 AromaticContact CE3-CD1 3.78Å; W228-W268 HydrophobicContact CE3-CG 4.15Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.71Å; W228-W268 HydrophobicContact CH2-CG 4.37Å; W228-W268 HydrophobicContact CZ3-CB 4.4Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å
229	A	98.6	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.7	160.6	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.83Å; T211-A229 HydrophobicContact CG2-CB 4.39Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 3.98Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.25Å; A229-K267 PolarHBondContact N-O 2.82Å; A229-K267 PolarHBondContact O-N 2.84Å; A229-K267 VanDerWaalsContact O-O 3.06Å
230	L	98.4	Very high	96.9	Very high	56 Å²	56	42 Å²	42	29%	0.293	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.3	-175.2	-60.1	177.6	0	0	0	111.2	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.41Å; K210-L230 PolarHBondContact N-O 3.11Å; K210-L230 PolarHBondContact O-N 3.12Å; K210-L230 VanDerWaalsContact O-N 3.12Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.45Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231	G	97.8	Very high	97.3	Very high	22 Å²	22	35.1 Å²	35.1	23%	0.227	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.7	28.9	167.2	0	0	0	0	0	114.5	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.23Å; G231-F265 PolarHBondContact N-O 3.43Å
232	F	98	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	157.4	-177.6	59.8	-91	0	0	0	113.6	D207 P209 A229 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.18Å; D207-F232 WeakPolarHBondContact O-CB 3.27Å; P209-F232 HydrophobicContact CB-CB 3.91Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.18Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; F232-P234 WeakPolarHBondContact CD2-O 3.21Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.35Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.74Å; F232-I237 HydrophobicContact CE2-CB 3.8Å; F232-I237 HydrophobicContact CE2-CD1 3.84Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.99Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; F232-F265 WeakPolarHBondContact CD1-O 3.3Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.32Å; F232-F265 PolarHBondContact O-N 3.3Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	96.8	Very high	97.6	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.02	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-152.2	137.4	172.1	178.9	-81.4	0	0	0	109.1	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.86Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.28Å; T55-Y233 PolarHBondContact OG1-OH 3.35Å; R205-Y233 WeakPolarHBondContact O-CD1 3.35Å; A206-Y233 CarbonylContact C-O 3.49Å; A206-Y233 WeakPolarHBondContact CA-O 3.35Å; D207-Y233 PolarHBondContact N-O 3.41Å; D207-Y233 PolarHBondContact O-N 3.23Å; Y233-R263 HydrophobicContact CD2-CG 3.87Å; Y233-R263 HydrophobicContact CE2-CG 4.05Å; Y233-F265 HydrophobicContact CD2-CE2 4.15Å; Y233-H287 PolarHBondContact O-CE1 2.75Å
234	P	96.2	Very high	97.6	Very high	16 Å²	16	33.4 Å²	33.4	10%	0.104	17%	0.171	C	C	.	.	S	Bend	cis	-69.8	179.3	0.6	30.3	-36.9	0	0	0	113.1	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; F232-P234 WeakPolarHBondContact CD2-O 3.21Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 2.85Å; P234-E288 HydrophobicContact CG-CB 4.35Å; P234-E288 WeakPolarHBondContact CG-OE2 3.4Å
235	A	97.1	Very high	97.3	Very high	13 Å²	13	34.6 Å²	34.6	11%	0.107	19%	0.188	C	C	.	.	S	Bend	trans	-71.3	-25.1	-177.1	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.37Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 WeakPolarHBondContact OD1-CB 3.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 2.93Å; A235-I237 PolarHBondContact O-N 3.31Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-T257 WeakPolarHBondContact O-CG2 3.26Å; A235-F265 HydrophobicContact CB-CD1 3.81Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.8Å; A235-F265 HydrophobicContact CB-CE2 3.75Å; A235-F265 HydrophobicContact CB-CG 3.79Å; A235-F265 HydrophobicContact CB-CZ 3.79Å
236	E	96.5	Very high	97.1	Very high	144 Å²	144	41.7 Å²	41.7	67%	0.673	22%	0.221	S	C	*	.			trans	-64.5	117.2	179.8	-173.7	51.6	-130.4	0	0	110.6	P234 H287	P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 3.45Å
237	I	97.2	Very high	97	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.046	24%	0.236	C	C	.	.			trans	-154.5	136.7	-175.6	-163.5	171.3	0	0	0	110.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.09Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.35Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.74Å; F232-I237 HydrophobicContact CE2-CB 3.8Å; F232-I237 HydrophobicContact CE2-CD1 3.84Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; A235-I237 PolarHBondContact O-N 3.31Å; I237-L239 HydrophobicContact CD1-CD1 3.69Å; I237-L239 HydrophobicContact CG1-CD1 3.69Å; I237-L239 HydrophobicContact CG2-CD1 4.19Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 4.08Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; I237-Q286 WeakPolarHBondContact CG1-O 3.34Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	97.6	Very high	96.8	Very high	57 Å²	57	45 Å²	45	35%	0.35	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.8	173.6	-57.3	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.11Å; T238-V285 WeakPolarHBondContact O-CA 3.12Å; T238-Q286 PolarHBondContact N-O 3.19Å; T238-Q286 PolarHBondContact O-N 3.14Å
239	L	97.9	Very high	96.3	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126	169.7	-88.3	63.8	0	0	0	108.2	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 3.98Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; I237-L239 HydrophobicContact CD1-CD1 3.69Å; I237-L239 HydrophobicContact CG1-CD1 3.69Å; I237-L239 HydrophobicContact CG2-CD1 4.19Å; L239-L254 HydrophobicContact CB-CD1 4.11Å; L239-K267 HydrophobicContact CD1-CD 4.4Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.04Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	97.6	Very high	95.9	Very high	39 Å²	39	56.9 Å²	56.9	24%	0.239	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.2	177.9	44.3	0	0	0	0	110.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.11Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.25Å; T240-H284 PolarHBondContact N-O 2.87Å; T240-H284 PolarHBondContact O-N 3.15Å
241	W	98.2	Very high	95.3	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.5	169.5	-83.4	107.3	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.75Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.31Å; W241-Q248 PolarHBondContact O-N 2.93Å; W241-A269 PolarHBondContact NE1-O 3.05Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.72Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; W241-T282 WeakPolarHBondContact CA-O 3.33Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.09Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97.9	Very high	95.2	Very high	38 Å²	38	59.7 Å²	59.7	18%	0.178	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.9	172.7	-72.9	-175.8	-8.9	0	0	110.7	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.48Å; Q242-D247 PolarHBondContact NE2-OD1 3.39Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.45Å; Q242-T282 PolarHBondContact N-O 3Å; Q242-T282 PolarHBondContact O-N 3.37Å; Q242-T282 PolarHBondContact O-OG1 2.8Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.33Å; Q242-H284 PolarHBondContact OE1-NE2 2.68Å
243	R	97.3	Very high	95.1	Very high	71 Å²	71	65 Å²	65	27%	0.268	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.6	168.9	-174.6	-170.6	-171.3	178.4	1.9	108.4	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.98Å; R243-E246 PolarHBondContact N-O 2.91Å; R243-E246 PolarHBondContact O-N 2.84Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; R243-E277 IonicContact CZ-OE2 2.66Å; R243-E277 IonicContact NE-OE2 2.78Å; R243-E277 IonicContact NH2-OE1 3.64Å; R243-E277 IonicContact NH2-OE2 3.72Å; R243-E277 PolarHBondContact NH2-OE2 3.11Å; R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.36Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.4Å; R243-Y281 HydrophobicContact CG-CD1 4.43Å; R243-Y281 HydrophobicContact CG-CD2 4.37Å; R243-Y281 HydrophobicContact CG-CE1 4.04Å; R243-Y281 HydrophobicContact CG-CE2 3.95Å; R243-Y281 PolarHBondContact NE-OH 2.95Å
244	D	95.1	Very high	95.1	Very high	102 Å²	102	69 Å²	69	55%	0.545	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	20.5	-175.7	-53.9	-51.1	0	0	0	115.3	R280	D244-R280 PolarHBondContact N-O 3.43Å; D244-R280 WeakPolarHBondContact OD1-CB 3.46Å; D244-R280 IonicContact OD1-NE 2.7Å; D244-R280 IonicContact OD2-CZ 2.89Å; D244-R280 IonicContact OD2-NE 3.44Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 3.51Å; D244-R280 PolarHBondContact OD2-NH2 2.81Å
245	G	91.5	Very high	95.1	Very high	46 Å²	46	69.8 Å²	69.8	47%	0.474	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-3.6	-176.6	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 2.98Å
246	E	95.4	Very high	95.1	Very high	148 Å²	148	76.6 Å²	76.6	69%	0.692	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.6	176.9	-62.2	-174	167.1	0	0	111.6	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.23Å; R243-E246 PolarHBondContact N-O 2.91Å; R243-E246 PolarHBondContact O-N 2.84Å; E246-Q248 PolarHBondContact O-NE2 2.9Å
247	D	95.1	Very high	95.2	Very high	95 Å²	95	71.8 Å²	71.8	51%	0.508	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	132.1	-179.1	-66.9	-32.1	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.48Å; Q242-D247 PolarHBondContact NE2-OD1 3.39Å
248	Q	94.8	Very high	95.2	Very high	26 Å²	26	76 Å²	76	12%	0.121	39%	0.393	C	S	.	.			trans	-102.6	37.3	-176.1	-55	-63.6	-84.3	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.31Å; W241-Q248 PolarHBondContact O-N 2.93Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; E246-Q248 PolarHBondContact O-NE2 2.9Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.97Å; Q248-D251 PolarHBondContact O-N 2.85Å; Q248-T252 WeakPolarHBondContact O-CB 3.49Å; Q248-T252 PolarHBondContact O-N 3.43Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3Å; Q248-Y281 HydrophobicContact CG-CE1 4.25Å
249	T	88.4	Confident	95.2	Very high	106 Å²	106	77.5 Å²	77.5	65%	0.65	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.6	-167.4	-44.1	0	0	0	0	114
250	Q	88.7	Confident	95.1	Very high	192 Å²	192	79.7 Å²	79.7	90%	0.897	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-31.7	-179.3	-64.8	-173.7	6.6	0	0	112.9	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.97Å
251	D	86.9	Confident	94.9	Very high	113 Å²	113	81.5 Å²	81.5	60%	0.604	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	3.5	-178.6	-52.9	-65.6	0	0	0	112.6	Q248	Q248-D251 PolarHBondContact O-N 2.85Å
252	T	94.3	Very high	94.6	Very high	23 Å²	23	86.5 Å²	86.5	14%	0.141	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.1	-180	-64.1	0	0	0	0	111.4	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.49Å; Q248-T252 PolarHBondContact O-N 3.43Å; Q248-T252 VanDerWaalsContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3Å; T252-L254 HydrophobicContact CG2-CB 4.38Å; T252-L254 PolarHBondContact O-N 2.81Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.25Å
253	E	96.6	Very high	94.4	Very high	113 Å²	113	87.6 Å²	87.6	53%	0.528	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	100.3	163.4	-174.2	-172.1	-163.7	0	0	109.1	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.99Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 VanDerWaalsContact OE2-CH2 3.29Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.19Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.45Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.28Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.17Å; E253-A270 PolarHBondContact O-N 3.36Å
254	L	96.5	Very high	94.3	Very high	89 Å²	89	85 Å²	85	47%	0.466	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.7	176	-174.4	69	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.11Å; T252-L254 HydrophobicContact CG2-CB 4.38Å; T252-L254 PolarHBondContact O-N 2.81Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.71Å
255	V	96.6	Very high	94.5	Very high	31 Å²	31	81.4 Å²	81.4	19%	0.188	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-86.2	154.5	174.5	-63.8	0	0	0	0	112.5	K267 W268	V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.24Å; V255-K267 PolarHBondContact O-NZ 2.86Å; V255-W268 HydrophobicContact CG1-CD2 4Å; V255-W268 VanDerWaalsContact CG1-CE2 3.46Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.66Å; V255-W268 HydrophobicContact CG1-CZ2 3.31Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.78Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.47Å; V255-W268 WeakPolarHBondContact CG2-O 3.46Å; V255-W268 PolarHBondContact N-O 2.9Å
256	E	97	Very high	94.8	Very high	157 Å²	157	81.2 Å²	81.2	73%	0.734	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-57.8	147.7	169	-69.5	-55	156.3	0	0	112.5	R258	E256-R258 PolarHBondContact O-N 2.83Å
257	T	97.9	Very high	95	Very high	42 Å²	42	75 Å²	75	26%	0.258	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-69	126.5	175.3	-56	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.99Å; A235-T257 HydrophobicContact CB-CG2 4.28Å; A235-T257 WeakPolarHBondContact O-CG2 3.26Å; T257-F265 HydrophobicContact CG2-CB 3.88Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.18Å; T257-K267 WeakPolarHBondContact OG1-CD 3.42Å; T257-K267 PolarHBondContact OG1-NZ 3.03Å
258	R	97.6	Very high	95.1	Very high	98 Å²	98	71.6 Å²	71.6	37%	0.37	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.3	-174.4	70.4	-166.3	-176.2	-165.6	1	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.83Å; R258-F265 WeakPolarHBondContact O-CA 3.13Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 2.88Å; R258-Q266 VanDerWaalsContact NE-OE1 3.1Å; R258-Q266 VanDerWaalsContact O-CG 3.32Å; R258-Q266 WeakPolarHBondContact O-CG 3.5Å; R258-Q266 PolarHBondContact O-N 2.92Å
259	P	97.4	Very high	95.3	Very high	89 Å²	89	70.3 Å²	70.3	58%	0.578	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	148.5	178	28.5	-35	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CD1 4.39Å; P259-F265 HydrophobicContact CB-CE1 4.12Å
260	A	96.5	Very high	95.7	Very high	51 Å²	51	65.4 Å²	65.4	42%	0.421	35%	0.352	S	S	.	.			trans	-90.7	-17	170.9	0	0	0	0	0	112.9	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.43Å; A260-T264 WeakPolarHBondContact CB-O 3.45Å; A260-T264 PolarHBondContact N-O 3.3Å; A260-Q266 HydrophobicContact CB-CG 4.5Å
261	G	93.1	Very high	96.2	Very high	77 Å²	77	56.4 Å²	56.4	79%	0.794	31%	0.31	S	S	*	.	S	Bend	trans	98.6	-6.9	179	0	0	0	0	0	114.7
262	D	92.8	Very high	96.7	Very high	109 Å²	109	54.5 Å²	54.5	58%	0.583	30%	0.302	S	S	*	.	S	Bend	trans	-113.2	32.2	-178.4	64.9	-6.4	0	0	0	112.3	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.43Å; D262-T264 PolarHBondContact O-N 3.01Å; D262-T264 WeakPolarHBondContact OD1-CB 3.25Å; D262-T264 PolarHBondContact OD1-N 2.82Å; D262-T264 PolarHBondContact OD1-OG1 3.1Å
263	R	92.2	Very high	96.8	Very high	62 Å²	62	53.4 Å²	53.4	23%	0.234	30%	0.296	C	S	.	.	S	Bend	trans	71.1	-21.2	-166	-174.9	-177.2	175.5	-123.7	-2.9	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 3.15Å; T202-R263 PolarHBondContact O-NH1 3.17Å; T202-R263 PolarHBondContact O-NH2 2.95Å; Y233-R263 HydrophobicContact CD2-CG 3.87Å; Y233-R263 HydrophobicContact CE2-CG 4.05Å; R263-F265 WeakPolarHBondContact O-CE2 3.08Å
264	T	97	Very high	96.7	Very high	17 Å²	17	50.3 Å²	50.3	10%	0.104	29%	0.285	C	S	.	.			trans	-84.5	167.3	-178.1	77.3	0	0	0	0	113.4	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.23Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.45Å; A260-T264 PolarHBondContact N-O 3.3Å; D262-T264 PolarHBondContact O-N 3.01Å; D262-T264 WeakPolarHBondContact OD1-CB 3.25Å; D262-T264 PolarHBondContact OD1-N 2.82Å; D262-T264 PolarHBondContact OD1-OG1 3.1Å
265	F	98.4	Very high	96.6	Very high	25 Å²	25	48.4 Å²	48.4	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	164.1	179.9	-66.1	-86.7	0	0	0	112.2	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.69Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.43Å; F232-F265 WeakPolarHBondContact CD1-O 3.3Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.32Å; F232-F265 PolarHBondContact O-N 3.3Å; Y233-F265 HydrophobicContact CD2-CE2 4.15Å; A235-F265 HydrophobicContact CB-CD1 3.81Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.8Å; A235-F265 HydrophobicContact CB-CE2 3.75Å; A235-F265 HydrophobicContact CB-CG 3.79Å; A235-F265 HydrophobicContact CB-CZ 3.79Å; T257-F265 HydrophobicContact CG2-CB 3.88Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.18Å; R258-F265 WeakPolarHBondContact O-CA 3.13Å; P259-F265 HydrophobicContact CB-CD1 4.39Å; P259-F265 HydrophobicContact CB-CE1 4.12Å; R263-F265 WeakPolarHBondContact O-CE2 3.08Å
266	Q	98.3	Very high	96.4	Very high	43 Å²	43	50.1 Å²	50.1	20%	0.201	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143.1	175.6	39.2	163.4	-23.2	0	0	109.7	A229 L230 R258 A260	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.25Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 2.88Å; R258-Q266 VanDerWaalsContact NE-OE1 3.1Å; R258-Q266 VanDerWaalsContact O-CG 3.32Å; R258-Q266 WeakPolarHBondContact O-CG 3.5Å; R258-Q266 PolarHBondContact O-N 2.92Å; A260-Q266 HydrophobicContact CB-CG 4.5Å
267	K	98.6	Very high	96.4	Very high	16 Å²	16	45.1 Å²	45.1	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.3	176	-159.5	-176.5	-170.6	66.5	0	108.6	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.82Å; A229-K267 PolarHBondContact O-N 2.84Å; A229-K267 VanDerWaalsContact O-O 3.06Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.4Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.24Å; V255-K267 PolarHBondContact O-NZ 2.86Å; T257-K267 WeakPolarHBondContact OG1-CD 3.42Å; T257-K267 PolarHBondContact OG1-NZ 3.03Å
268	W	98.3	Very high	96.2	Very high	24 Å²	24	44 Å²	44	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.8	168.3	58.2	-98	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.05Å; R226-W268 HydrophobicContact CG-CE3 3.82Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.06Å; C227-W268 WeakPolarHBondContact O-CB 3.24Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.92Å; W228-W268 AromaticContact CE3-CD1 3.78Å; W228-W268 HydrophobicContact CE3-CG 4.15Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.71Å; W228-W268 HydrophobicContact CH2-CG 4.37Å; W228-W268 HydrophobicContact CZ3-CB 4.4Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å; E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.99Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 VanDerWaalsContact OE2-CH2 3.29Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.19Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.45Å; V255-W268 HydrophobicContact CG1-CD2 4Å; V255-W268 VanDerWaalsContact CG1-CE2 3.46Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.66Å; V255-W268 HydrophobicContact CG1-CZ2 3.31Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.78Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.47Å; V255-W268 WeakPolarHBondContact CG2-O 3.46Å; V255-W268 PolarHBondContact N-O 2.9Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.3	Very high	96.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.4	173.7	0	0	0	0	0	108.2	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.5Å; C227-A269 PolarHBondContact N-O 2.98Å; C227-A269 PolarHBondContact O-N 3.45Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 3.05Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.28Å; L254-A269 HydrophobicContact CD1-CB 3.71Å
270	A	97.9	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	-121.5	146.1	177.9	0	0	0	0	0	111.8	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.85Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.46Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.25Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.17Å; E253-A270 PolarHBondContact O-N 3.36Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	97.8	Very high	96.1	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	-136.1	141.5	176.1	61.5	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.32Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 2.92Å; L225-V271 PolarHBondContact O-N 2.87Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.72Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.28Å; V271-Y281 HydrophobicContact CG1-CD1 4.1Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.08Å
272	V	97.3	Very high	96.3	Very high	73 Å²	73	39 Å²	39	44%	0.442	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.9	171.4	-179.3	0	0	0	0	107.9	I218 E222	I218-V272 HydrophobicContact CD1-CG1 3.87Å; I218-V272 HydrophobicContact CD1-CG2 4Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.29Å
273	V	96.1	Very high	96.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.5	-176.4	-46.9	0	0	0	0	110.5	E222 V223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.46Å; V223-V273 HydrophobicContact CG2-CG2 3.42Å; V223-V273 VanDerWaalsContact CG2-CG2 3.42Å; V223-V273 PolarHBondContact N-O 3.32Å; V223-V273 PolarHBondContact O-N 2.7Å; L225-V273 HydrophobicContact CD1-CG1 4.14Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.26Å; L225-V273 HydrophobicContact CG-CG2 3.93Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.28Å; V273-E278 HydrophobicContact CG2-CG 4.01Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE1 4.42Å; V273-Y281 HydrophobicContact CB-CE2 3.62Å; V273-Y281 HydrophobicContact CB-CG 4.48Å; V273-Y281 HydrophobicContact CG1-CD1 3.66Å; V273-Y281 HydrophobicContact CG1-CD2 3.64Å; V273-Y281 HydrophobicContact CG1-CE1 3.57Å; V273-Y281 HydrophobicContact CG1-CE2 3.59Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274	P	96.1	Very high	96.9	Very high	47 Å²	47	33.3 Å²	33.3	31%	0.305	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.2	172.3	-20.5	32.6	0	0	0	111.6	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.42Å; P274-G276 PolarHBondContact O-N 2.75Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.48Å; P274-E277 PolarHBondContact O-N 3.13Å
275	S	94.1	Very high	96.9	Very high	49 Å²	49	32.5 Å²	32.5	34%	0.343	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	126.7	174.3	-61.8	0	0	0	0	111.3	D220 H221 E222	D220-S275 WeakPolarHBondContact O-CB 3.19Å; D220-S275 PolarHBondContact O-OG 3.3Å; H221-S275 WeakPolarHBondContact CA-OG 3.39Å; H221-S275 PolarHBondContact O-N 2.87Å; H221-S275 PolarHBondContact O-OG 3.37Å; E222-S275 PolarHBondContact N-OG 3.19Å
276	G	92.4	Very high	96.9	Very high	67 Å²	67	36.1 Å²	36.1	69%	0.691	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.3	-4.9	-177.3	0	0	0	0	0	115.3	P274 E278	P274-G276 PolarHBondContact O-N 2.75Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.96Å; G276-E278 PolarHBondContact N-OE2 3.25Å
277	E	95.4	Very high	96.8	Very high	52 Å²	52	34.5 Å²	34.5	24%	0.243	19%	0.189	C	C	.	.			trans	-98.6	2.1	175.2	-69.4	-156.2	-149.4	0	0	114	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 2.66Å; R243-E277 IonicContact NE-OE2 2.78Å; R243-E277 IonicContact NH2-OE1 3.64Å; R243-E277 IonicContact NH2-OE2 3.72Å; R243-E277 PolarHBondContact NH2-OE2 3.11Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.48Å; P274-E277 PolarHBondContact O-N 3.13Å; E277-Q279 PolarHBondContact O-N 3.27Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.39Å; E277-R280 PolarHBondContact O-N 3.18Å; E277-R280 IonicContact OE1-NH1 3.37Å; E277-R280 WeakPolarHBondContact OE2-CD 3.34Å; E277-R280 IonicContact OE2-CZ 3.12Å; E277-R280 IonicContact OE2-NE 3.55Å; E277-R280 IonicContact OE2-NH1 3.5Å; E277-R280 PolarHBondContact OE2-NH1 3.32Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å
278	E	94.9	Very high	96.6	Very high	20 Å²	20	37.5 Å²	37.5	9%	0.093	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.4	-31.1	-168.1	-53.5	82.1	-177.6	0	0	113.3	V223 L225 V273 G276 R280 Y281 W298	V223-E278 HydrophobicContact CG2-CG 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.07Å; L225-E278 HydrophobicContact CD2-CB 4.37Å; L225-E278 HydrophobicContact CD2-CG 4.25Å; V273-E278 HydrophobicContact CG2-CG 4.01Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.96Å; G276-E278 PolarHBondContact N-OE2 3.25Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.2Å; E278-Y281 PolarHBondContact O-N 3.42Å; E278-W298 HydrophobicContact CB-CD2 4.49Å; E278-W298 HydrophobicContact CB-CE3 3.5Å; E278-W298 VanDerWaalsContact CB-CE3 3.5Å; E278-W298 HydrophobicContact CB-CZ3 3.95Å; E278-W298 HydrophobicContact CG-CE3 3.79Å; E278-W298 HydrophobicContact CG-CZ3 3.85Å
279	Q	95.2	Very high	96.4	Very high	92 Å²	92	37.2 Å²	37.2	43%	0.43	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-73.6	-17.1	-179.6	-61.8	-57.1	-44.2	0	0	114.1	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.27Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-R297 PolarHBondContact O-NE 3.44Å; Q279-W298 PolarHBondContact NE2-O 3.16Å
280	R	96.6	Very high	96.3	Very high	100 Å²	100	37.8 Å²	37.8	38%	0.377	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-73.5	-20.6	171.5	-61.9	174.5	69.4	175.1	5.3	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.36Å; D244-R280 PolarHBondContact N-O 3.43Å; D244-R280 WeakPolarHBondContact OD1-CB 3.46Å; D244-R280 IonicContact OD1-NE 2.7Å; D244-R280 IonicContact OD2-CZ 2.89Å; D244-R280 IonicContact OD2-NE 3.44Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 3.51Å; D244-R280 PolarHBondContact OD2-NH2 2.81Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.39Å; E277-R280 PolarHBondContact O-N 3.18Å; E277-R280 IonicContact OE1-NH1 3.37Å; E277-R280 WeakPolarHBondContact OE2-CD 3.34Å; E277-R280 IonicContact OE2-CZ 3.12Å; E277-R280 IonicContact OE2-NE 3.55Å; E277-R280 IonicContact OE2-NH1 3.5Å; E277-R280 PolarHBondContact OE2-NH1 3.32Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.2Å
281	Y	97.5	Very high	96.1	Very high	8 Å²	8	43.8 Å²	43.8	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.4	-177.5	-69.7	-99.9	0	0	0	111.4	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.45Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.4Å; R243-Y281 HydrophobicContact CG-CD1 4.43Å; R243-Y281 HydrophobicContact CG-CD2 4.37Å; R243-Y281 HydrophobicContact CG-CE1 4.04Å; R243-Y281 HydrophobicContact CG-CE2 3.95Å; R243-Y281 PolarHBondContact NE-OH 2.95Å; Q248-Y281 HydrophobicContact CG-CE1 4.25Å; V271-Y281 HydrophobicContact CG1-CD1 4.1Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.08Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE1 4.42Å; V273-Y281 HydrophobicContact CB-CE2 3.62Å; V273-Y281 HydrophobicContact CB-CG 4.48Å; V273-Y281 HydrophobicContact CG1-CD1 3.66Å; V273-Y281 HydrophobicContact CG1-CD2 3.64Å; V273-Y281 HydrophobicContact CG1-CE1 3.57Å; V273-Y281 HydrophobicContact CG1-CE2 3.59Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E278-Y281 PolarHBondContact O-N 3.42Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	97.9	Very high	96	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.3	177.7	45.5	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.33Å; Q242-T282 PolarHBondContact N-O 3Å; Q242-T282 PolarHBondContact O-N 3.37Å; Q242-T282 PolarHBondContact O-OG1 2.8Å; T282-H284 WeakPolarHBondContact CB-NE2 3.45Å; T282-H284 PolarHBondContact OG1-NE2 3.35Å; T282-T295 HydrophobicContact CG2-CG2 3.87Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; T282-R297 HydrophobicContact CG2-CG 3.69Å
283	C	98.2	Very high	95.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.9	170.1	173.8	0	0	0	0	109.4	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.37Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 3.34Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.25Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.09Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; C283-L296 HydrophobicContact CB-CB 4.39Å; C283-L296 PolarHBondContact N-O 3.19Å; C283-L296 PolarHBondContact O-N 2.79Å
284	H	98	Very high	96	Very high	52 Å²	52	54.7 Å²	54.7	24%	0.241	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.4	176.3	-62.8	-103.7	0	0	0	110.1	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.39Å; T240-H284 PolarHBondContact N-O 2.87Å; T240-H284 PolarHBondContact O-N 3.15Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.33Å; Q242-H284 PolarHBondContact OE1-NE2 2.68Å; T282-H284 WeakPolarHBondContact CB-NE2 3.45Å; T282-H284 PolarHBondContact OG1-NE2 3.35Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.46Å; H284-T295 PolarHBondContact CE1-OG1 3.31Å; H284-T295 PolarHBondContact ND1-OG1 2.98Å; H284-T295 VanDerWaalsContact ND1-OG1 3.08Å
285	V	98.3	Very high	96.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.7	-176.1	-173.6	0	0	0	0	109.9	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 4.01Å; T211-V285 HydrophobicContact CG2-CB 4.31Å; T211-V285 HydrophobicContact CG2-CG1 4.07Å; T211-V285 HydrophobicContact CG2-CG2 3.98Å; I237-V285 HydrophobicContact CD1-CG1 4.08Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; T238-V285 WeakPolarHBondContact O-CA 3.12Å; L239-V285 HydrophobicContact CD1-CG1 4.04Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; V285-P293 WeakPolarHBondContact O-CA 3.35Å; V285-L294 HydrophobicContact CB-CB 4.4Å; V285-L294 PolarHBondContact N-O 3.38Å; V285-L294 PolarHBondContact O-N 3.44Å; V285-L296 HydrophobicContact CG2-CD1 3.86Å
286	Q	97.9	Very high	96.2	Very high	102 Å²	102	55.3 Å²	55.3	48%	0.477	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.6	175.9	-48.6	-175.9	17.8	0	0	109.4	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.34Å; T238-Q286 PolarHBondContact N-O 3.19Å; T238-Q286 PolarHBondContact O-N 3.14Å; Q286-P293 HydrophobicContact CG-CB 4.13Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	96.6	Very high	96.4	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.042	29%	0.293	C	S	.	.			trans	-162.1	146.7	-174.3	-175.5	-101.4	0	0	0	111	W23 D207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.28Å; W23-H287 WeakPolarHBondContact CZ3-O 3.28Å; D207-H287 PolarHBondContact O-CE1 2.83Å; D207-H287 VanDerWaalsContact O-CE1 3.25Å; P209-H287 WeakPolarHBondContact CD-ND1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.07Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 2.75Å; P234-H287 PolarHBondContact O-NE2 2.85Å; E236-H287 PolarHBondContact O-CD2 3.45Å; I237-H287 HydrophobicContact CD1-CB 4.26Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 PolarHBondContact CE1-N 2.93Å; H287-G289 PolarHBondContact ND1-N 2.88Å; H287-G289 PolarHBondContact O-N 2.98Å; H287-G289 VanDerWaalsContact O-N 3.13Å; H287-L290 HydrophobicContact CB-CD1 3.92Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 3.04Å
288	E	93.8	Very high	96.4	Very high	78 Å²	78	58.4 Å²	58.4	36%	0.364	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.6	-178.1	-156	-166.6	150.9	0	0	114.6	W23 A206 P234	W23-E288 HydrophobicContact CD2-CG 4.46Å; W23-E288 HydrophobicContact CE3-CG 4.03Å; W23-E288 HydrophobicContact CZ3-CB 4.5Å; W23-E288 HydrophobicContact CZ3-CG 4.44Å; W23-E288 WeakPolarHBondContact CZ3-O 3.32Å; A206-E288 HydrophobicContact CB-CB 4.28Å; A206-E288 HydrophobicContact CB-CG 4.49Å; P234-E288 HydrophobicContact CG-CB 4.35Å; P234-E288 WeakPolarHBondContact CG-OE2 3.4Å
289	G	93.9	Very high	96.1	Very high	19 Å²	19	65.3 Å²	65.3	20%	0.196	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.4	171.6	0	0	0	0	0	114.1	H287	H287-G289 PolarHBondContact CE1-N 2.93Å; H287-G289 PolarHBondContact ND1-N 2.88Å; H287-G289 PolarHBondContact O-N 2.98Å; H287-G289 VanDerWaalsContact O-N 3.13Å
290	L	95.9	Very high	95.4	Very high	11 Å²	11	64.7 Å²	64.7	6%	0.058	33%	0.326	C	S	.	.			trans	-99.6	120	-171.1	-65.5	173.5	0	0	0	112.1	W23 P208 P209 V285 H287 K292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.35Å; W23-L290 WeakPolarHBondContact CZ3-O 3.24Å; P208-L290 HydrophobicContact CB-CD2 3.92Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.28Å; P209-L290 HydrophobicContact CG-CG 4.13Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; H287-L290 HydrophobicContact CB-CD1 3.92Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 3.04Å; L290-K292 WeakPolarHBondContact CB-O 3.43Å; L290-K292 PolarHBondContact O-N 2.88Å; L290-L294 HydrophobicContact CD1-CD1 4.09Å; L290-L294 HydrophobicContact CD1-CG 3.96Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	P	94.4	Very high	93.8	Very high	128 Å²	128	64.8 Å²	64.8	83%	0.831	34%	0.342	S	S	*	.	S	Bend	trans	-65.4	-17.3	-179.9	28.3	-36.2	0	0	0	113.6
292	K	94.7	Very high	91.5	Very high	163 Å²	163	69.9 Å²	69.9	71%	0.709	38%	0.379	S	S	*	.	S	Bend	trans	-150.9	150.6	169.7	-61.5	-172.4	-177.9	-179.5	0	108.7	L290	L290-K292 WeakPolarHBondContact CB-O 3.43Å; L290-K292 PolarHBondContact O-N 2.88Å
293	P	96.4	Very high	89	Confident	80 Å²	80	77.6 Å²	77.6	52%	0.519	41%	0.414	S	S	.	.			trans	-50.2	141.4	169.4	-28.7	36.7	0	0	0	112.5	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.35Å; Q286-P293 HydrophobicContact CG-CB 4.13Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	97.4	Very high	86.3	Confident	63 Å²	63	82 Å²	82	33%	0.33	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.2	174.1	-62.9	178.4	0	0	0	110.1	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.21Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.46Å; V285-L294 HydrophobicContact CB-CB 4.4Å; V285-L294 PolarHBondContact N-O 3.38Å; V285-L294 PolarHBondContact O-N 3.44Å; L290-L294 HydrophobicContact CD1-CD1 4.09Å; L290-L294 HydrophobicContact CD1-CG 3.96Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
295	T	97.8	Very high	83.9	Confident	80 Å²	80	85.6 Å²	85.6	49%	0.491	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.7	169.7	-54.8	0	0	0	0	108.5	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.87Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; H284-T295 PolarHBondContact CE1-OG1 3.31Å; H284-T295 PolarHBondContact ND1-OG1 2.98Å; H284-T295 VanDerWaalsContact ND1-OG1 3.08Å
296	L	97.1	Very high	81.7	Confident	29 Å²	29	89.1 Å²	89.1	15%	0.152	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144	-179.8	-62.1	98.1	0	0	0	110.9	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.39Å; V213-L296 HydrophobicContact CG2-CB 3.87Å; V213-L296 HydrophobicContact CG2-CD2 4.49Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; C283-L296 HydrophobicContact CB-CB 4.39Å; C283-L296 PolarHBondContact N-O 3.19Å; C283-L296 PolarHBondContact O-N 2.79Å; V285-L296 HydrophobicContact CG2-CD1 3.86Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
297	R	96.1	Very high	79.8	Confident	140 Å²	140	88.2 Å²	88.2	53%	0.528	50%	0.495	S	S	.	.			trans	-111	165.9	161.2	-72.5	-170	171.8	96.6	5.8	109.2	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.44Å; T282-R297 HydrophobicContact CG2-CG 3.69Å; R297-E299 PolarHBondContact O-N 2.88Å
298	W	95.6	Very high	78.1	Confident	44 Å²	44	93.5 Å²	93.5	17%	0.167	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-70.3	120.3	162.9	170.2	57.9	0	0	0	109.8	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.87Å; H215-W298 HydrophobicContact CB-CD2 4.16Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.13Å; H215-W298 VanDerWaalsContact CB-NE1 3.31Å; H215-W298 AromaticContact CD2-CE2 3.82Å; H215-W298 AromaticContact CD2-CH2 3.94Å; H215-W298 AromaticContact CD2-CZ2 3.79Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact CG-NE1 3.97Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.89Å; L225-W298 HydrophobicContact CD2-CD2 4.48Å; L225-W298 HydrophobicContact CD2-CG 4.08Å; E278-W298 HydrophobicContact CB-CD2 4.49Å; E278-W298 HydrophobicContact CB-CE3 3.5Å; E278-W298 VanDerWaalsContact CB-CE3 3.5Å; E278-W298 HydrophobicContact CB-CZ3 3.95Å; E278-W298 HydrophobicContact CG-CE3 3.79Å; E278-W298 HydrophobicContact CG-CZ3 3.85Å; Q279-W298 PolarHBondContact NE2-O 3.16Å; W298-P300 HydrophobicContact CD2-CG 4.48Å; W298-P300 HydrophobicContact CE3-CG 4.28Å; W298-P300 HydrophobicContact CH2-CB 4.12Å; W298-P300 HydrophobicContact CH2-CG 3.81Å; W298-P300 HydrophobicContact CZ2-CB 3.89Å; W298-P300 HydrophobicContact CZ2-CG 3.94Å; W298-P300 HydrophobicContact CZ3-CG 3.97Å
299	E	89.1	Confident	76.7	Confident	166 Å²	166	95.7 Å²	95.7	78%	0.776	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-95.7	119.9	166.9	-67.4	-175.1	169.5	0	0	108.5	R297 S301	R297-E299 PolarHBondContact O-N 2.88Å; E299-S301 PolarHBondContact O-N 2.9Å; E299-S301 VanDerWaalsContact O-N 3.12Å
300	P	81	Confident	75.4	Confident	79 Å²	79	96.8 Å²	96.8	51%	0.513	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-56.6	121.1	170	-20.5	31.2	0	0	0	108.3	W298 S302	W298-P300 HydrophobicContact CD2-CG 4.48Å; W298-P300 HydrophobicContact CE3-CG 4.28Å; W298-P300 HydrophobicContact CH2-CB 4.12Å; W298-P300 HydrophobicContact CH2-CG 3.81Å; W298-P300 HydrophobicContact CZ2-CB 3.89Å; W298-P300 HydrophobicContact CZ2-CG 3.94Å; W298-P300 HydrophobicContact CZ3-CG 3.97Å; P300-S302 PolarHBondContact O-N 2.87Å
301	S	62.8	Low	74.5	Confident	102 Å²	102	100.7 Å²	100.7	71%	0.713	57%	0.572	S	S	*	*			trans	-56.6	110.5	-175.1	54.8	0	0	0	0	109.5	E299 Q303	E299-S301 PolarHBondContact O-N 2.9Å; E299-S301 VanDerWaalsContact O-N 3.12Å; S301-Q303 PolarHBondContact O-N 2.75Å
302	S	48.1	Very low	73.6	Confident	115 Å²	115	98.9 Å²	98.9	80%	0.804	56%	0.559	S	S	*	*			trans	-69.9	77.3	165.8	55	0	0	0	0	107.8	P300 S304	P300-S302 PolarHBondContact O-N 2.87Å; S302-S304 PolarHBondContact O-N 3.43Å
303	Q	45.8	Very low	72.9	Confident	169 Å²	169	93.6 Å²	93.6	79%	0.79	55%	0.546	S	S	*	.			trans	-55.6	94	147.4	-78.7	-169.4	-6.6	0	0	105	S301 T305	S301-Q303 PolarHBondContact O-N 2.75Å; Q303-T305 PolarHBondContact O-N 3.14Å
304	S	41.6	Very low	72.2	Confident	94 Å²	94	91.5 Å²	91.5	66%	0.657	54%	0.539	S	S	*	.			trans	-59.5	101.5	168.7	-175	0	0	0	0	104.7	S302 V306	S302-S304 PolarHBondContact O-N 3.43Å; S304-V306 PolarHBondContact O-N 3.28Å
305	T	47	Very low	71.7	Confident	127 Å²	127	93.7 Å²	93.7	78%	0.779	55%	0.55	S	S	*	*			trans	-66.7	69.2	159.2	-49.3	0	0	0	0	106.1	Q303 P307	Q303-T305 PolarHBondContact O-N 3.14Å; T305-P307 WeakPolarHBondContact O-CD 3.5Å; T305-P307 VanDerWaalsContact O-N 3.1Å
306	V	53.7	Low	71.1	Confident	73 Å²	73	92.5 Å²	92.5	44%	0.442	55%	0.548	S	S	.	.			trans	-44.4	121.5	157.9	177.1	0	0	0	0	103.6	S304 I308 I311	S304-V306 PolarHBondContact O-N 3.28Å; V306-I308 PolarHBondContact O-N 2.91Å; V306-I311 HydrophobicContact CG1-CD1 3.95Å
307	P	57.5	Low	70.6	Confident	83 Å²	83	95.6 Å²	95.6	54%	0.539	57%	0.568	S	S	.	*			trans	-74.2	79.1	-172.2	28.5	-34.2	0	0	0	108.2	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.5Å; T305-P307 VanDerWaalsContact O-N 3.1Å; P307-V309 PolarHBondContact O-N 3.35Å; P307-G310 CarbonylContact O-C 3.41Å; P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3.08Å; P307-I311 PolarHBondContact O-N 3.5Å
308	I	61.1	Low	70.2	Confident	120 Å²	120	94.1 Å²	94.1	62%	0.615	57%	0.57	S	S	*	*	H	α-helix	trans	-54.5	-38.3	175.4	-67.1	165.2	0	0	0	108.2	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 2.91Å; I308-G310 PolarHBondContact O-N 3.09Å; I308-I311 PolarHBondContact O-N 3.01Å; I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.42Å; I308-V312 PolarHBondContact O-N 3.33Å
309	V	62.8	Low	69.7	Low	124 Å²	124	94.4 Å²	94.4	75%	0.752	58%	0.582	S	S	*	*	H	α-helix	trans	-56.9	-43.6	170.5	-176.3	0	0	0	0	112.4	P307 A313	P307-V309 PolarHBondContact O-N 3.35Å; V309-A313 WeakPolarHBondContact O-CB 3.15Å; V309-A313 PolarHBondContact O-N 3.31Å
310	G	68.3	Low	69.7	Low	42 Å²	42	91.4 Å²	91.4	43%	0.433	58%	0.575	S	S	.	*	H	α-helix	trans	-69.1	-39.4	178.1	0	0	0	0	0	113.2	P307 I308 G314	P307-G310 CarbonylContact O-C 3.41Å; P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3.08Å; I308-G310 PolarHBondContact O-N 3.09Å; G310-G314 PolarHBondContact O-N 3.07Å
311	I	75.3	Confident	70	Confident	93 Å²	93	92 Å²	92	48%	0.477	58%	0.577	S	S	.	*	H	α-helix	trans	-66.6	-46.3	175.3	-62.6	172.1	0	0	0	110.3	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 3.95Å; P307-I311 PolarHBondContact O-N 3.5Å; I308-I311 PolarHBondContact O-N 3.01Å; I311-G314 PolarHBondContact O-N 3.15Å; I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.14Å; I311-L315 WeakPolarHBondContact O-CG 3.13Å; I311-L315 PolarHBondContact O-N 3.46Å
312	V	77.3	Confident	71.2	Confident	91 Å²	91	91.3 Å²	91.3	55%	0.552	57%	0.568	S	S	*	*	H	α-helix	trans	-63.8	-42.8	177.7	170.7	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.42Å; I308-V312 PolarHBondContact O-N 3.33Å; V312-L315 PolarHBondContact O-N 2.92Å; V312-A316 WeakPolarHBondContact O-CB 3.37Å; V312-A316 PolarHBondContact O-N 3.39Å
313	A	78.3	Confident	73	Confident	52 Å²	52	91 Å²	91	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-62.8	-44	174.9	0	0	0	0	0	112	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.15Å; V309-A313 PolarHBondContact O-N 3.31Å; A313-A316 PolarHBondContact O-N 3.02Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 3.11Å
314	G	83.2	Confident	74.8	Confident	36 Å²	36	84.9 Å²	84.9	37%	0.371	54%	0.538	S	S	.	.	H	α-helix	trans	-60.8	-44.1	176.2	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.07Å; I311-G314 PolarHBondContact O-N 3.15Å; G314-V317 PolarHBondContact O-N 3.39Å; G314-L318 WeakPolarHBondContact O-CB 3.36Å; G314-L318 PolarHBondContact O-N 3.23Å
315	L	86.4	Confident	76.8	Confident	109 Å²	109	83.1 Å²	83.1	57%	0.571	53%	0.53	S	S	*	.	H	α-helix	trans	-65.6	-39.7	176	-71.7	171.6	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.14Å; I311-L315 WeakPolarHBondContact O-CG 3.13Å; I311-L315 PolarHBondContact O-N 3.46Å; V312-L315 PolarHBondContact O-N 2.92Å; L315-L318 PolarHBondContact O-N 2.68Å; L315-A319 WeakPolarHBondContact O-CB 3.5Å; L315-A319 PolarHBondContact O-N 3.38Å
316	A	85.2	Confident	78.5	Confident	55 Å²	55	81.1 Å²	81.1	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-43.7	176.3	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.37Å; V312-A316 PolarHBondContact O-N 3.39Å; A313-A316 PolarHBondContact O-N 3.02Å; A316-A319 PolarHBondContact O-N 3.14Å; A316-V320 WeakPolarHBondContact O-CG2 3.18Å; A316-V320 PolarHBondContact O-N 2.89Å; A316-V320 VanDerWaalsContact O-N 3.08Å
317	V	87.1	Confident	79.9	Confident	93 Å²	93	81.4 Å²	81.4	56%	0.564	52%	0.519	S	S	*	.	H	α-helix	trans	-63	-44.9	175.5	172.2	0	0	0	0	111	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 3.11Å; G314-V317 PolarHBondContact O-N 3.39Å; V317-A319 PolarHBondContact O-N 2.97Å; V317-V320 PolarHBondContact O-N 3.47Å; V317-V321 HydrophobicContact CG1-CG2 4.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.39Å; V317-V321 PolarHBondContact O-N 2.86Å
318	L	86.9	Confident	80.9	Confident	109 Å²	109	80 Å²	80	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-58.2	-44.7	175.1	-92.1	162.3	0	0	0	112.3	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.36Å; G314-L318 PolarHBondContact O-N 3.23Å; L315-L318 PolarHBondContact O-N 2.68Å; L318-V320 PolarHBondContact O-N 3.28Å; L318-V321 PolarHBondContact O-N 3.39Å; L318-V322 WeakPolarHBondContact O-CG2 3.45Å; L318-V322 PolarHBondContact O-N 3.26Å
319	A	85.6	Confident	81.6	Confident	50 Å²	50	76.9 Å²	76.9	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-60.5	-44.5	177.3	0	0	0	0	0	112.1	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.5Å; L315-A319 PolarHBondContact O-N 3.38Å; A316-A319 PolarHBondContact O-N 3.14Å; V317-A319 PolarHBondContact O-N 2.97Å; A319-V322 PolarHBondContact O-N 2.93Å; A319-I323 WeakPolarHBondContact O-CB 3.1Å; A319-I323 WeakPolarHBondContact O-CD1 3.46Å; A319-I323 VanDerWaalsContact O-CG1 3.25Å; A319-I323 WeakPolarHBondContact O-CG1 3.37Å; A319-I323 PolarHBondContact O-N 2.89Å
320	V	88.1	Confident	82.2	Confident	104 Å²	104	74.9 Å²	74.9	63%	0.63	49%	0.494	S	S	*	.	H	α-helix	trans	-62.6	-42.9	176.7	172.8	0	0	0	0	111.6	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.18Å; A316-V320 PolarHBondContact O-N 2.89Å; A316-V320 VanDerWaalsContact O-N 3.08Å; V317-V320 PolarHBondContact O-N 3.47Å; L318-V320 PolarHBondContact O-N 3.28Å; V320-I323 PolarHBondContact O-N 2.73Å; V320-G324 PolarHBondContact O-N 2.9Å
321	V	88.9	Confident	82.5	Confident	92 Å²	92	79 Å²	79	56%	0.558	50%	0.504	S	S	*	.	H	α-helix	trans	-63.2	-44.2	177.3	171.3	0	0	0	0	111.4	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.39Å; V317-V321 PolarHBondContact O-N 2.86Å; L318-V321 PolarHBondContact O-N 3.39Å; V321-G324 PolarHBondContact O-N 2.97Å; V321-A325 WeakPolarHBondContact O-CB 3.36Å; V321-A325 PolarHBondContact O-N 3.35Å
322	V	86.4	Confident	82.1	Confident	86 Å²	86	78.9 Å²	78.9	52%	0.521	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-45.1	177.8	171.2	0	0	0	0	111.2	L318 A319 G324 A325 V326	L318-V322 WeakPolarHBondContact O-CG2 3.45Å; L318-V322 PolarHBondContact O-N 3.26Å; A319-V322 PolarHBondContact O-N 2.93Å; V322-G324 PolarHBondContact O-N 3.46Å; V322-A325 PolarHBondContact O-N 3.27Å; V322-V326 HydrophobicContact CG1-CG2 4.49Å; V322-V326 WeakPolarHBondContact O-CG2 3.33Å; V322-V326 PolarHBondContact O-N 3.04Å
323	I	85.9	Confident	81.5	Confident	108 Å²	108	84 Å²	84	55%	0.554	52%	0.519	S	S	*	.	H	α-helix	trans	-60.9	-45.3	176.3	-68.2	164.4	0	0	0	110.5	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.1Å; A319-I323 WeakPolarHBondContact O-CD1 3.46Å; A319-I323 VanDerWaalsContact O-CG1 3.25Å; A319-I323 WeakPolarHBondContact O-CG1 3.37Å; A319-I323 PolarHBondContact O-N 2.89Å; V320-I323 PolarHBondContact O-N 2.73Å; I323-A325 PolarHBondContact O-N 3.32Å; I323-V326 PolarHBondContact O-N 2.98Å; I323-V327 HydrophobicContact CG2-CG2 4.43Å; I323-V327 WeakPolarHBondContact O-CG2 3.36Å; I323-V327 PolarHBondContact O-N 2.91Å
324	G	85	Confident	80.5	Confident	41 Å²	41	91.3 Å²	91.3	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-59.1	-44.5	176.1	0	0	0	0	0	113.1	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.9Å; V321-G324 PolarHBondContact O-N 2.97Å; V322-G324 PolarHBondContact O-N 3.46Å; G324-V327 PolarHBondContact O-N 2.99Å; G324-A328 WeakPolarHBondContact O-CB 3.5Å; G324-A328 PolarHBondContact O-N 3.18Å
325	A	82.9	Confident	79.1	Confident	58 Å²	58	98.8 Å²	98.8	48%	0.479	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-41.5	177.1	0	0	0	0	0	112.5	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.36Å; V321-A325 PolarHBondContact O-N 3.35Å; V322-A325 PolarHBondContact O-N 3.27Å; I323-A325 PolarHBondContact O-N 3.32Å; A325-A328 PolarHBondContact O-N 3.26Å; A325-A329 WeakPolarHBondContact O-CB 3.25Å; A325-A329 PolarHBondContact O-N 3.23Å
326	V	83.6	Confident	77.5	Confident	85 Å²	85	98.2 Å²	98.2	52%	0.515	56%	0.563	S	S	.	*	H	α-helix	trans	-64.4	-45.9	175.9	170.6	0	0	0	0	111	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.49Å; V322-V326 WeakPolarHBondContact O-CG2 3.33Å; V322-V326 PolarHBondContact O-N 3.04Å; I323-V326 PolarHBondContact O-N 2.98Å; V326-A328 PolarHBondContact O-N 2.83Å; V326-A329 PolarHBondContact O-N 2.88Å; V326-V330 HydrophobicContact CG1-CG2 4.44Å; V326-V330 WeakPolarHBondContact O-CB 3.41Å; V326-V330 WeakPolarHBondContact O-CG2 3.4Å; V326-V330 PolarHBondContact O-N 3.23Å
327	V	82.5	Confident	75.9	Confident	79 Å²	79	100 Å²	100	48%	0.479	57%	0.572	S	S	.	*	H	α-helix	trans	-61.3	-45.1	177.2	171.5	0	0	0	0	110.9	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.43Å; I323-V327 WeakPolarHBondContact O-CG2 3.36Å; I323-V327 PolarHBondContact O-N 2.91Å; G324-V327 PolarHBondContact O-N 2.99Å; V327-A329 PolarHBondContact O-N 3.17Å; V327-V330 PolarHBondContact O-N 2.72Å; V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.14Å; V327-M331 WeakPolarHBondContact O-CB 3.24Å; V327-M331 WeakPolarHBondContact O-CG 3.36Å; V327-M331 PolarHBondContact O-N 2.62Å
328	A	77.1	Confident	73.9	Confident	52 Å²	52	99.2 Å²	99.2	43%	0.43	58%	0.583	S	S	.	*	H	α-helix	trans	-60.1	-45.9	175.9	0	0	0	0	0	112.1	G324 A325 V326 V330 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.5Å; G324-A328 PolarHBondContact O-N 3.18Å; A325-A328 PolarHBondContact O-N 3.26Å; V326-A328 PolarHBondContact O-N 2.83Å; A328-V330 PolarHBondContact O-N 2.83Å; A328-M331 PolarHBondContact O-N 2.89Å; A328-C332 WeakPolarHBondContact O-CB 3.05Å; A328-C332 PolarHBondContact O-N 3.36Å; A328-C332 PolarHBondContact O-SG 2.76Å
329	A	76.7	Confident	71.9	Confident	55 Å²	55	97.2 Å²	97.2	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-63.1	-40.3	177.5	0	0	0	0	0	112.7	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.25Å; A325-A329 PolarHBondContact O-N 3.23Å; V326-A329 PolarHBondContact O-N 2.88Å; V327-A329 PolarHBondContact O-N 3.17Å; A329-C332 PolarHBondContact O-N 2.89Å; A329-R333 WeakPolarHBondContact O-CB 3.2Å; A329-R333 PolarHBondContact O-N 2.73Å
330	V	75.4	Confident	69.6	Low	82 Å²	82	104.9 Å²	104.9	50%	0.497	61%	0.613	S	S	.	*	H	α-helix	trans	-66	-41.7	175.2	169.8	0	0	0	0	111.3	V326 V327 A328 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.44Å; V326-V330 WeakPolarHBondContact O-CB 3.41Å; V326-V330 WeakPolarHBondContact O-CG2 3.4Å; V326-V330 PolarHBondContact O-N 3.23Å; V327-V330 PolarHBondContact O-N 2.72Å; A328-V330 PolarHBondContact O-N 2.83Å; V330-R333 PolarHBondContact O-N 3.32Å; V330-R334 PolarHBondContact O-N 3.48Å
331	M	73.8	Confident	67.2	Low	130 Å²	130	103.9 Å²	103.9	64%	0.64	62%	0.623	S	S	*	*	H	α-helix	trans	-64.9	-42.1	175.4	-73.2	-176.6	69.6	0	0	112.2	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.14Å; V327-M331 WeakPolarHBondContact O-CB 3.24Å; V327-M331 WeakPolarHBondContact O-CG 3.36Å; V327-M331 PolarHBondContact O-N 2.62Å; A328-M331 PolarHBondContact O-N 2.89Å; M331-R334 PolarHBondContact O-N 2.91Å; M331-K335 WeakPolarHBondContact O-CB 3.39Å; M331-K335 PolarHBondContact O-N 3.45Å
332	C	67.9	Low	64.5	Low	90 Å²	90	103.1 Å²	103.1	61%	0.608	63%	0.634	S	S	*	*	H	α-helix	trans	-59.9	-46.1	172.4	-75.8	0	0	0	0	111.7	A328 A329 R334 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.05Å; A328-C332 PolarHBondContact O-N 3.36Å; A328-C332 PolarHBondContact O-SG 2.76Å; A329-C332 PolarHBondContact O-N 2.89Å; C332-R334 PolarHBondContact O-N 3.2Å; C332-K335 PolarHBondContact O-N 2.88Å; C332-K335 VanDerWaalsContact O-N 3.15Å; C332-S336 PolarHBondContact O-N 2.9Å; C332-S336 VanDerWaalsContact O-N 3.07Å; C332-S336 PolarHBondContact O-OG 3.07Å
333	R	64.4	Low	61.9	Low	198 Å²	198	104.6 Å²	104.6	75%	0.747	65%	0.648	S	S	*	*	H	α-helix	trans	-61.7	-42.5	176.7	-80.6	-173.6	169.4	-170.6	-2.4	112.8	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.2Å; A329-R333 PolarHBondContact O-N 2.73Å; V330-R333 PolarHBondContact O-N 3.32Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.16Å; R333-S336 WeakPolarHBondContact CA-OG 3.27Å; R333-S336 PolarHBondContact O-N 3.48Å; R333-S336 PolarHBondContact O-OG 3.1Å; R333-S337 PolarHBondContact O-N 2.69Å
334	R	57.8	Low	59.4	Low	206 Å²	206	109.4 Å²	109.4	78%	0.777	66%	0.661	S	S	*	*	H	α-helix	trans	-62.9	-33.1	173.7	-104	-176.1	169.7	-180	-2.6	113	V330 M331 C332 S337	V330-R334 PolarHBondContact O-N 3.48Å; M331-R334 PolarHBondContact O-N 2.91Å; C332-R334 PolarHBondContact O-N 3.2Å; R334-S337 PolarHBondContact O-OG 3.37Å
335	K	53.3	Low	57	Low	193 Å²	193	113.6 Å²	113.6	84%	0.839	68%	0.684	S	S	*	*	H	α-helix	trans	-75.1	-24.8	176.7	-162.3	169	-178.1	177.9	0	112.8	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.39Å; M331-K335 PolarHBondContact O-N 3.45Å; C332-K335 PolarHBondContact O-N 2.88Å; C332-K335 VanDerWaalsContact O-N 3.15Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.16Å
336	S	53.2	Low	54.8	Low	96 Å²	96	119.4 Å²	119.4	67%	0.671	70%	0.701	S	S	*	*	H	α-helix	trans	-85.6	-15.3	174.2	52.9	0	0	0	0	115.4	C332 R333	C332-S336 PolarHBondContact O-N 2.9Å; C332-S336 VanDerWaalsContact O-N 3.07Å; C332-S336 PolarHBondContact O-OG 3.07Å; R333-S336 WeakPolarHBondContact CA-OG 3.27Å; R333-S336 PolarHBondContact O-N 3.48Å; R333-S336 PolarHBondContact O-OG 3.1Å
337	S	50.5	Low	52.4	Low	93 Å²	93	120.2 Å²	120.2	65%	0.65	72%	0.716	S	S	*	*	S	Bend	trans	-93.8	16.8	-175.8	68.4	0	0	0	0	114.7	R333 R334	R333-S337 PolarHBondContact O-N 2.69Å; R334-S337 PolarHBondContact O-OG 3.37Å
338	G	46.9	Very low	50.2	Low	76 Å²	76	120.7 Å²	120.7	78%	0.784	73%	0.728	S	S	*	*			trans	-106.9	66.4	-176.4	0	0	0	0	0	114.2
339	G	44.8	Very low	48.2	Very low	67 Å²	67	123.9 Å²	123.9	69%	0.691	75%	0.746	S	S	*	*			trans	159.1	129.3	165.9	0	0	0	0	0	117
340	K	37	Very low	46.3	Very low	212 Å²	212	125.3 Å²	125.3	92%	0.922	75%	0.753	S	S	*	*			trans	85	127.6	-178.7	-57.9	174	178.4	177.7	0	114.6
341	G	37.3	Very low	44.5	Very low	82 Å²	82	128.7 Å²	128.7	85%	0.845	77%	0.769	S	S	*	*			cis	102.5	100.9	-4.3	0	0	0	0	0	114.6
342	G	33.1	Very low	43	Very low	77 Å²	77	127.8 Å²	127.8	79%	0.794	78%	0.775	S	S	*	*			trans	129.3	102.7	156.1	0	0	0	0	0	118.9
343	S	31.5	Very low	41.5	Very low	116 Å²	116	127.8 Å²	127.8	81%	0.811	78%	0.781	S	S	*	*			trans	68.3	120.7	136.9	-157	0	0	0	0	124.4
344	Y	33.3	Very low	40.4	Very low	210 Å²	210	127.9 Å²	127.9	82%	0.824	79%	0.79	S	S	*	*			trans	-5.8	140.5	145.2	-76.8	-96.2	0	0	0	121.4
345	S	34.8	Very low	39.3	Very low	129 Å²	129	121.2 Å²	121.2	90%	0.902	79%	0.786	S	S	*	*				-150.3	162.5	118.4	-42.8	0	0	0	0	110.8
346	Q	36.7	Very low	38.8	Very low	180 Å²	180	117.9 Å²	117.9	84%	0.841	79%	0.786	S	S	*	*			trans	-124.5	146.5	-164.7	170.3	-175.4	-4.9	0	0	111.8
347	A	33	Very low	38.1	Very low	101 Å²	101	121 Å²	121	84%	0.835	80%	0.796	S	S	*	*			trans	-152.1	135	159.5	0	0	0	0	0	111.4
348	A	36.2	Very low	37.6	Very low	89 Å²	89	122.3 Å²	122.3	74%	0.736	80%	0.8	S	S	*	*			trans	-93.3	175.1	166.8	0	0	0	0	0	109.3
349	C	33.6	Very low	37.5	Very low	119 Å²	119	123.7 Å²	123.7	80%	0.804	80%	0.797	S	S	*	*			cis	-151.3	-165	5.2	-138	0	0	0	0	107.4
350	S	37.4	Very low	37.4	Very low	85 Å²	85	128.1 Å²	128.1	59%	0.594	80%	0.804	S	S	*	*			cis	-166.2	154	2.7	27.3	0	0	0	0	109.2
351	D	37	Very low	37.6	Very low	154 Å²	154	124.5 Å²	124.5	82%	0.824	80%	0.8	S	S	*	*			trans	60.5	145.1	156.1	-56.3	-28.2	0	0	0	119.3
352	S	42.3	Very low	38	Very low	111 Å²	111	128.6 Å²	128.6	78%	0.776	83%	0.825	S	S	*	*			cis	-161.1	147.9	25.1	25.8	0	0	0	0	114
353	A	37.4	Very low	38.3	Very low	89 Å²	89	131.2 Å²	131.2	74%	0.736	83%	0.827	S	S	*	*			trans	42.8	142.4	140.3	0	0	0	0	0	125
354	Q	40.7	Very low	38.6	Very low	201 Å²	201	131.9 Å²	131.9	94%	0.939	83%	0.828	S	S	*	*			trans	68.7	138.9	158.8	-66.1	172.5	-7.5	0	0	117.9
355	G	34.4	Very low	38.9	Very low	66 Å²	66	127.6 Å²	127.6	68%	0.68	83%	0.828	S	S	*	*			cis	173.4	158.7	-6.8	0	0	0	0	0	112.5
356	S	42.8	Very low	39.2	Very low	122 Å²	122	127.5 Å²	127.5	85%	0.853	82%	0.824	S	S	*	*			trans	59.1	92.8	158.6	-51.4	0	0	0	0	120.2
357	D	39.7	Very low	39.3	Very low	162 Å²	162	124.3 Å²	124.3	87%	0.866	82%	0.823	S	S	*	*				39.6	153.6	103.4	-118.5	-13.9	0	0	0	123
358	V	40.4	Very low	39.7	Very low	121 Å²	121	125.8 Å²	125.8	73%	0.733	82%	0.822	S	S	*	*			trans	102.2	102.6	158.6	174.7	0	0	0	0	120.3
359	S	43.4	Very low	40	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	83%	0.828	S	S	*	*			trans	63.8	133.2	136.4	-53.9	0	0	0	0	121.8
360	L	43.2	Very low	40.5	Very low	161 Å²	161	129.2 Å²	129.2	84%	0.843	83%	0.83	S	S	*	*				67	99.4	50.5	-88.8	169.3	0	0	0	116.1
361	T	42	Very low	40.7	Very low	136 Å²	136	132.8 Å²	132.8	83%	0.834	85%	0.849	S	S	*	*			trans	-152.3	121.8	140.3	22.4	0	0	0	0	104.7
362	A	45.7	Very low	41.1	Very low	167 Å²	167	130.9 Å²	130.9	100%	1.38	85%	0.852	S	S	*	*				69.1	0	65.4	0	0	0	0	0	111.4

Retrieved 362 of 362 residues in 519 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).