A0A090KEX7_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A090KEX7, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 365 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	Very low	50.4	Low	241 Å²	241	128.8 Å²	128.8	100%	1.187	71%	0.71	S	S	*	*				0	96.8	0	-105.8	175.4	-85.9	0	0	107.5
2	A	38.7	Very low	50.7	Low	104 Å²	104	128.6 Å²	128.6	86%	0.86	71%	0.706	S	S	*	*			trans	-87.2	111.5	173.5	0	0	0	0	0	107.2	M4	A2-M4 PolarHBondContact O-N 3.15Å; A2-M4 VanDerWaalsContact O-N 3.15Å
3	V	44.4	Very low	50.6	Low	139 Å²	139	126.2 Å²	126.2	84%	0.842	69%	0.691	S	S	*	*			trans	-74	103.6	176.2	179.5	0	0	0	0	107.1	A5	V3-A5 PolarHBondContact O-N 3.3Å; V3-A5 VanDerWaalsContact O-N 3.17Å
4	M	46.3	Very low	50.3	Low	165 Å²	165	124.4 Å²	124.4	81%	0.813	68%	0.679	S	S	*	*			trans	-65.8	108.9	168.5	-105.6	172	64.1	0	0	107.9	A2	A2-M4 PolarHBondContact O-N 3.15Å; A2-M4 VanDerWaalsContact O-N 3.15Å
5	A	48.8	Very low	50.1	Low	68 Å²	68	118.3 Å²	118.3	56%	0.562	66%	0.657	S	S	*	*			trans	-59.1	133.9	166.4	0	0	0	0	0	108.8	V3 R7	V3-A5 PolarHBondContact O-N 3.3Å; V3-A5 VanDerWaalsContact O-N 3.17Å; A5-R7 PolarHBondContact O-N 3.17Å
6	P	59.7	Low	49.9	Very low	76 Å²	76	114.3 Å²	114.3	49%	0.494	64%	0.644	S	S	.	*			trans	-65.9	127.5	-177.1	22.3	-26	0	0	0	109.3	T8 L9	P6-T8 PolarHBondContact O-N 3.47Å; P6-L9 HydrophobicContact CG-CB 4.21Å; P6-L9 WeakPolarHBondContact O-CB 3.37Å; P6-L9 PolarHBondContact O-N 3Å
7	R	57	Low	49.3	Very low	204 Å²	204	113.2 Å²	113.2	77%	0.77	64%	0.636	S	S	*	*	H	α-helix	trans	-50.9	-26.9	-177.3	-81.9	177.1	160.9	140.9	-5.3	113.8	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.17Å; R7-L10 PolarHBondContact O-N 2.98Å; R7-L11 WeakPolarHBondContact O-CG 3.49Å; R7-L11 PolarHBondContact O-N 3.11Å; R7-L11 VanDerWaalsContact O-N 3.11Å
8	T	56.3	Low	49	Very low	96 Å²	96	109.7 Å²	109.7	59%	0.589	62%	0.623	S	S	*	*	H	α-helix	trans	-66.3	-37.3	174.2	35.8	0	0	0	0	113.4	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.47Å; T8-L10 VanDerWaalsContact C-N 3.35Å; T8-L11 PolarHBondContact O-N 2.81Å; T8-L12 WeakPolarHBondContact O-CB 3.33Å; T8-L12 WeakPolarHBondContact O-CG 3.39Å; T8-L12 PolarHBondContact O-N 2.86Å
9	L	53.3	Low	48.4	Very low	100 Å²	100	109.1 Å²	109.1	52%	0.524	62%	0.617	S	S	.	*	H	α-helix	trans	-68.7	-37.4	176.6	-143.6	96.8	0	0	0	111.1	P6 L12 L13	P6-L9 HydrophobicContact CG-CB 4.21Å; P6-L9 WeakPolarHBondContact O-CB 3.37Å; P6-L9 PolarHBondContact O-N 3Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-L13 HydrophobicContact CD2-CD1 4.31Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.48Å
10	L	53	Low	48	Very low	106 Å²	106	108.3 Å²	108.3	56%	0.555	62%	0.615	S	S	*	*	H	α-helix	trans	-67.4	-39	177.2	-161.5	76.9	0	0	0	111.5	R7 T8 L14	R7-L10 PolarHBondContact O-N 2.98Å; T8-L10 VanDerWaalsContact C-N 3.35Å; L10-L14 HydrophobicContact CG-CD1 4.35Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 WeakPolarHBondContact O-CD1 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 2.61Å
11	L	61.3	Low	47.5	Very low	118 Å²	118	110.5 Å²	110.5	62%	0.618	62%	0.62	S	S	*	*	H	α-helix	trans	-69.9	-38.3	175.7	-71.6	167.5	0	0	0	112.5	R7 T8 L14 G15	R7-L11 WeakPolarHBondContact O-CG 3.49Å; R7-L11 PolarHBondContact O-N 3.11Å; R7-L11 VanDerWaalsContact O-N 3.11Å; T8-L11 PolarHBondContact O-N 2.81Å; L11-L14 PolarHBondContact O-N 2.87Å; L11-G15 PolarHBondContact O-N 3.45Å
12	L	54	Low	47.9	Very low	126 Å²	126	103.5 Å²	103.5	66%	0.66	59%	0.591	S	S	*	*	H	α-helix	trans	-67	-39.7	173.3	-75.5	167.3	0	0	0	111.9	T8 L9 G15 A16	T8-L12 WeakPolarHBondContact O-CB 3.33Å; T8-L12 WeakPolarHBondContact O-CG 3.39Å; T8-L12 PolarHBondContact O-N 2.86Å; L9-L12 PolarHBondContact O-N 3.33Å; L12-G15 PolarHBondContact O-N 2.9Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 2.92Å
13	L	49.5	Very low	48.2	Very low	97 Å²	97	101.2 Å²	101.2	51%	0.508	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-40.4	172.9	-81.5	160	0	0	0	111.7	L9 A16 L17	L9-L13 HydrophobicContact CD2-CD1 4.31Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.48Å; L13-A16 PolarHBondContact O-N 2.86Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 WeakPolarHBondContact O-CD1 3.25Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.2Å; L13-L17 PolarHBondContact O-N 2.8Å
14	L	46.5	Very low	48.7	Very low	101 Å²	101	97.4 Å²	97.4	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-66.9	-38.1	174.6	-78.5	161	0	0	0	112.2	L10 L11 A18	L10-L14 HydrophobicContact CG-CD1 4.35Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 WeakPolarHBondContact O-CD1 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 2.61Å; L11-L14 PolarHBondContact O-N 2.87Å; L14-A18 VanDerWaalsContact O-CB 3.25Å; L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 3.39Å
15	G	46.9	Very low	50.2	Low	33 Å²	33	90.6 Å²	90.6	34%	0.34	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-43.1	173.9	0	0	0	0	0	112.6	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.45Å; L12-G15 PolarHBondContact O-N 2.9Å; G15-A18 PolarHBondContact O-N 2.97Å; G15-L19 WeakPolarHBondContact O-CD1 3.24Å; G15-L19 PolarHBondContact O-N 3.18Å
16	A	47.7	Very low	52.2	Low	55 Å²	55	90.1 Å²	90.1	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-39.8	174.8	0	0	0	0	0	112.1	L12 L13 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 2.92Å; L13-A16 PolarHBondContact O-N 2.86Å; A16-L19 PolarHBondContact O-N 2.98Å; A16-T20 WeakPolarHBondContact O-CG2 3.34Å; A16-T20 PolarHBondContact O-N 2.97Å; A16-T20 PolarHBondContact O-OG1 3.1Å
17	L	40.3	Very low	53.9	Low	96 Å²	96	88 Å²	88	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-40.2	174.8	-83.5	158.6	0	0	0	111.9	L13 T20 Q21	L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 WeakPolarHBondContact O-CD1 3.25Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.2Å; L13-L17 PolarHBondContact O-N 2.8Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.36Å; L17-T20 PolarHBondContact O-N 2.86Å; L17-T20 PolarHBondContact O-OG1 2.86Å; L17-Q21 WeakPolarHBondContact O-CB 3.43Å; L17-Q21 PolarHBondContact O-N 3.29Å
18	A	42.8	Very low	55.8	Low	49 Å²	49	79.3 Å²	79.3	41%	0.405	46%	0.462	S	S	.	.	H	α-helix	trans	-62.7	-44.2	174.4	0	0	0	0	0	111.3	L14 G15 T20 Q21 T22	L14-A18 VanDerWaalsContact O-CB 3.25Å; L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 3.39Å; G15-A18 PolarHBondContact O-N 2.97Å; A18-T20 PolarHBondContact O-N 2.9Å; A18-Q21 PolarHBondContact O-N 3.03Å; A18-T22 WeakPolarHBondContact O-CG2 3.43Å; A18-T22 PolarHBondContact O-N 3.06Å; A18-T22 PolarHBondContact O-OG1 2.87Å
19	L	38.6	Very low	57.8	Low	98 Å²	98	74.8 Å²	74.8	51%	0.513	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-35.8	173.7	-96.3	108.6	0	0	0	112.9	G15 A16 T22	G15-L19 WeakPolarHBondContact O-CD1 3.24Å; G15-L19 PolarHBondContact O-N 3.18Å; A16-L19 PolarHBondContact O-N 2.98Å; L19-T22 PolarHBondContact O-OG1 3.13Å; L19-T22 VanDerWaalsContact O-OG1 3.06Å
20	T	40	Very low	60	Low	93 Å²	93	72.2 Å²	72.2	57%	0.571	42%	0.417	S	S	*	.	H	α-helix	trans	-72.7	-28.5	175.2	54.6	0	0	0	0	113	A16 L17 A18	A16-T20 WeakPolarHBondContact O-CG2 3.34Å; A16-T20 PolarHBondContact O-N 2.97Å; A16-T20 PolarHBondContact O-OG1 3.1Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.36Å; L17-T20 PolarHBondContact O-N 2.86Å; L17-T20 PolarHBondContact O-OG1 2.86Å; A18-T20 PolarHBondContact O-N 2.9Å
21	Q	37.1	Very low	62.1	Low	156 Å²	156	67.5 Å²	67.5	73%	0.729	39%	0.392	S	S	*	.	H	α-helix	trans	-79.4	-23.3	177.1	-95.1	-177.8	-21.6	0	0	113.5	L17 A18 W23	L17-Q21 WeakPolarHBondContact O-CB 3.43Å; L17-Q21 PolarHBondContact O-N 3.29Å; A18-Q21 PolarHBondContact O-N 3.03Å; Q21-W23 VanDerWaalsContact C-N 3.29Å; Q21-W23 PolarHBondContact O-N 3.37Å
22	T	43.8	Very low	63.9	Low	94 Å²	94	65.7 Å²	65.7	58%	0.577	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.5	179.5	51.5	0	0	0	0	113.8	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.43Å; A18-T22 PolarHBondContact O-N 3.06Å; A18-T22 PolarHBondContact O-OG1 2.87Å; L19-T22 PolarHBondContact O-OG1 3.13Å; L19-T22 VanDerWaalsContact O-OG1 3.06Å
23	W	44.6	Very low	66.1	Low	56 Å²	56	60 Å²	60	21%	0.212	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-37.6	-176.1	-71.9	59.1	0	0	0	112.8	Q21 G25 E236 E288	Q21-W23 VanDerWaalsContact C-N 3.29Å; Q21-W23 PolarHBondContact O-N 3.37Å; W23-G25 PolarHBondContact O-N 2.97Å; W23-G25 VanDerWaalsContact O-N 3.08Å; W23-E236 HydrophobicContact CE3-CG 4.19Å; W23-E236 HydrophobicContact CH2-CB 4.15Å; W23-E236 HydrophobicContact CH2-CG 3.32Å; W23-E236 HydrophobicContact CZ2-CG 3.84Å; W23-E236 HydrophobicContact CZ3-CB 3.84Å; W23-E236 HydrophobicContact CZ3-CG 3.48Å; W23-E236 VanDerWaalsContact CZ3-CG 3.48Å; W23-E236 WeakPolarHBondContact CZ3-O 3.07Å; W23-E288 HydrophobicContact CB-CG 4.42Å; W23-E288 HydrophobicContact CE3-CB 4.18Å
24	A	55.4	Low	68.4	Low	59 Å²	59	57.3 Å²	57.3	49%	0.488	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	100.8	-177.4	0	0	0	0	0	111.7
25	G	76.6	Confident	70.9	Confident	22 Å²	22	52.6 Å²	52.6	23%	0.227	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	15.1	156.6	0	0	0	0	0	117.7	W23 G128 P129	W23-G25 PolarHBondContact O-N 2.97Å; W23-G25 VanDerWaalsContact O-N 3.08Å; G25-G128 CarbonylContact O-C 3.59Å; G25-P129 WeakPolarHBondContact O-CA 3.39Å; G25-P129 WeakPolarHBondContact O-CG 3.44Å; G25-P129 VanDerWaalsContact O-N 3.13Å
26	S	91.4	Very high	73.4	Confident	58 Å²	58	53.5 Å²	53.5	41%	0.406	31%	0.311	S	S	.	.			trans	-86.5	143.5	161	59.7	0	0	0	0	110.4	V127	S26-V127 CarbonylContact C-O 3.52Å; S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.4Å; S26-V127 WeakPolarHBondContact CB-O 3.44Å
27	H	95.3	Very high	75.7	Confident	31 Å²	31	51.6 Å²	51.6	14%	0.144	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.4	179.2	-67.4	-78.2	0	0	0	110.8	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.28Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 2.71Å; H27-D53 IonicContact CG-OD2 3.76Å; H27-D53 IonicContact ND1-OD1 3.05Å; H27-D53 IonicContact ND1-OD2 3.59Å; H27-D53 PolarHBondContact ND1-OD2 2.9Å; H27-D126 CarbonylContact O-C 3.46Å; H27-D126 WeakPolarHBondContact O-CA 3.35Å; H27-V127 HydrophobicContact CB-CG2 4.08Å; H27-V127 PolarHBondContact N-O 3.37Å; H27-V127 PolarHBondContact O-N 2.94Å; H27-L192 HydrophobicContact CB-CD2 4.17Å; H27-L196 HydrophobicContact CB-CD1 3.76Å; H27-L196 HydrophobicContact CB-CD2 4.07Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.25Å
28	S	97.4	Very high	78.4	Confident	22 Å²	22	50.5 Å²	50.5	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.4	-179.2	64.4	0	0	0	0	111.3	M52 D53 C125 D126	S28-M52 WeakPolarHBondContact O-CA 3.34Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 3.17Å; S28-D53 PolarHBondContact OG-OD1 3.22Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; S28-D126 WeakPolarHBondContact CB-OD1 3.45Å
29	M	98.5	Very high	80.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.3	167.2	-174.9	174.4	64.3	0	0	108	Y31 Y51 M52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.16Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; M29-Y51 WeakPolarHBondContact CA-O 3.31Å; M29-M52 HydrophobicContact CB-SD 3.68Å; M29-M52 HydrophobicContact CG-SD 3.72Å; M29-M52 HydrophobicContact SD-SD 4.06Å; M29-F57 HydrophobicContact CG-CE1 4.31Å; M29-F57 HydrophobicContact CG-CZ 4.33Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.31Å; M29-C125 PolarHBondContact N-O 2.92Å; M29-C125 PolarHBondContact O-N 2.93Å; M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.29Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; M29-W191 HydrophobicContact CE-CB 4.11Å; M29-W191 HydrophobicContact SD-CB 4.43Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 3.74Å; M29-L192 HydrophobicContact CB-CG 3.91Å; M29-L192 HydrophobicContact CE-CB 4.33Å; M29-L192 HydrophobicContact SD-CB 4.43Å; M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.67Å
30	R	98.6	Very high	83.4	Confident	46 Å²	46	50.4 Å²	50.4	17%	0.174	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135	-175.2	-56.7	-62.9	-176.7	75.2	4.7	110.9	F32 G50 Y51 Y123 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.38Å; R30-Y51 PolarHBondContact N-O 3.46Å; R30-Y51 PolarHBondContact O-N 2.89Å; R30-Y123 WeakPolarHBondContact CA-O 3.38Å; R30-D126 IonicContact CZ-OD1 3.47Å; R30-D126 VanDerWaalsContact CZ-OD1 3.31Å; R30-D126 IonicContact NE-OD1 4Å; R30-D126 PolarHBondContact NE-OD1 3.5Å; R30-D126 IonicContact NH2-OD1 3.64Å; R30-D126 PolarHBondContact NH2-OD1 3.31Å; R30-D126 IonicContact NH2-OD2 3.75Å; R30-D126 PolarHBondContact NH2-OD2 3.4Å; R30-Y137 PolarHBondContact NH2-OH 2.77Å
31	Y	98.8	Very high	86	Confident	8 Å²	8	56.1 Å²	56.1	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.1	170.6	-69.2	-91.5	0	0	0	109.4	M29 F33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.16Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; Y31-F33 HydrophobicContact CD1-CE1 4.36Å; Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.3Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE2-CZ 4.42Å; Y31-F57 AromaticContact CZ-CZ 3.72Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.21Å; Y31-V58 HydrophobicContact CE1-CG2 3.96Å; Y31-M122 WeakPolarHBondContact O-CA 3.41Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.47Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.74Å; Y31-Y123 HydrophobicContact CD2-CE2 3.74Å; Y31-Y123 AromaticContact CD2-CZ 3.82Å; Y31-Y123 HydrophobicContact CG-CE1 4.21Å; Y31-Y123 HydrophobicContact CG-CE2 4.14Å; Y31-Y123 AromaticContact CG-CZ 3.73Å; Y31-Y123 PolarHBondContact N-O 3.43Å; Y31-Y123 PolarHBondContact O-N 2.91Å; Y31-Y123 VanDerWaalsContact O-N 3.07Å
32	F	98.8	Very high	88.6	Confident	80 Å²	80	51.5 Å²	51.5	35%	0.351	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.4	177.9	-56.8	-96.7	0	0	0	109.1	R30 A48 V49 Y51 M121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-A48 WeakPolarHBondContact O-CA 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.82Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.17Å; F32-V49 PolarHBondContact O-N 2.98Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; F32-M121 CarbonylContact C-O 3.46Å; F32-M121 WeakPolarHBondContact CA-O 3.3Å; F32-M122 HydrophobicContact CD1-CB 3.9Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.05Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.43Å; F32-M122 HydrophobicContact CZ-CG 3.95Å
33	F	98.7	Very high	91	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.3	177.1	-59.6	-13.9	0	0	0	109.4	Y31 F46 I47 A48 V91 H94 Q120 M121 Y123	Y31-F33 HydrophobicContact CD1-CE1 4.36Å; F33-F46 HydrophobicContact CB-CE2 3.95Å; F33-F46 HydrophobicContact CB-CZ 3.99Å; F33-F46 HydrophobicContact CD1-CZ 4.22Å; F33-F46 HydrophobicContact CD2-CE2 4.34Å; F33-F46 AromaticContact CD2-CZ 3.97Å; F33-F46 HydrophobicContact CD2-CZ 3.97Å; F33-F46 HydrophobicContact CE2-CZ 4.44Å; F33-F46 HydrophobicContact CG-CE2 4.22Å; F33-F46 AromaticContact CG-CZ 3.81Å; F33-F46 HydrophobicContact CG-CZ 3.81Å; F33-I47 CarbonylContact C-O 3.55Å; F33-I47 WeakPolarHBondContact CA-O 3.32Å; F33-A48 HydrophobicContact CD1-CB 3.25Å; F33-A48 HydrophobicContact CE1-CB 3.38Å; F33-A48 HydrophobicContact CG-CB 4.2Å; F33-A48 HydrophobicContact CZ-CB 4.36Å; F33-V91 HydrophobicContact CZ-CG1 4.27Å; F33-H94 AromaticContact CD2-CD2 3.41Å; F33-H94 VanDerWaalsContact CD2-CD2 3.41Å; F33-H94 WeakPolarHBondContact CD2-CD2 3.17Å; F33-H94 AromaticContact CD2-CE1 3.87Å; F33-H94 AromaticContact CD2-CG 3.79Å; F33-H94 AromaticContact CD2-NE2 3.45Å; F33-H94 WeakPolarHBondContact CD2-NE2 3.41Å; F33-H94 HydrophobicContact CE2-CB 4.27Å; F33-H94 AromaticContact CE2-CD2 3.84Å; F33-H94 AromaticContact CE2-CG 3.7Å; F33-H94 AromaticContact CE2-ND1 3.84Å; F33-Q120 WeakPolarHBondContact O-CA 3.33Å; F33-M121 HydrophobicContact CB-CB 4.36Å; F33-M121 HydrophobicContact CD2-SD 4.35Å; F33-M121 PolarHBondContact N-O 3.01Å; F33-M121 PolarHBondContact O-N 3.49Å; F33-Y123 HydrophobicContact CD2-CE1 4.1Å; F33-Y123 HydrophobicContact CE1-CE1 4.11Å; F33-Y123 AromaticContact CE2-CE1 3.56Å; F33-Y123 HydrophobicContact CE2-CE1 3.56Å; F33-Y123 AromaticContact CZ-CE1 3.57Å; F33-Y123 HydrophobicContact CZ-CE1 3.57Å; F33-Y123 AromaticContact CZ-CZ 3.91Å; F33-Y123 VanDerWaalsContact CZ-OH 3.3Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.02Å
34	T	98.8	Very high	93.6	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.252	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	122.6	178.5	-60.3	0	0	0	0	109.6	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.04Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; T34-I47 PolarHBondContact N-O 3.17Å; T34-I47 PolarHBondContact O-N 2.75Å; T34-T118 HydrophobicContact CG2-CG2 4.02Å; T34-I119 WeakPolarHBondContact CA-O 3.45Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å
35	S	98.7	Very high	95.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.6	178.3	-78.8	0	0	0	0	110.2	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 WeakPolarHBondContact CA-O 3.46Å; S35-F46 VanDerWaalsContact OG-CD2 3.25Å; S35-F46 WeakPolarHBondContact OG-CD2 3.34Å; S35-D98 WeakPolarHBondContact CB-OD2 3.35Å; S35-D98 WeakPolarHBondContact OG-CB 3.15Å; S35-D98 VanDerWaalsContact OG-CG 3.31Å; S35-D98 PolarHBondContact OG-OD2 3.06Å; S35-T118 CarbonylContact O-C 3.58Å; S35-T118 VanDerWaalsContact O-CA 3.3Å; S35-T118 WeakPolarHBondContact O-CA 3.45Å; S35-I119 PolarHBondContact N-O 2.93Å; S35-I119 PolarHBondContact O-N 3.43Å
36	V	98.6	Very high	96.6	Very high	52 Å²	52	51 Å²	51	32%	0.315	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.7	-179.6	-173	0	0	0	0	109.6	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 4.04Å; V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.48Å; V36-R45 PolarHBondContact N-O 2.87Å; V36-R45 PolarHBondContact O-N 2.93Å; V36-T118 HydrophobicContact CG2-CG2 4.14Å
37	S	97.9	Very high	97	Very high	15 Å²	15	50.5 Å²	50.5	11%	0.105	28%	0.275	C	S	.	.			trans	-69.7	143.1	173.5	79	0	0	0	0	110.6	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.35Å; S37-S116 PolarHBondContact O-OG 3.39Å; S37-H117 PolarHBondContact N-O 2.89Å; S37-H117 PolarHBondContact OG-N 2.61Å; S37-H117 PolarHBondContact OG-O 3.3Å
38	R	96.4	Very high	97.2	Very high	74 Å²	74	49 Å²	49	28%	0.279	27%	0.268	S	S	.	.			trans	-137.3	73.3	-178.4	53.2	175.3	175.6	-161.3	-8.7	111.1	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.49Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.49Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 3.49Å; R38-R41 PolarHBondContact O-N 2.82Å; R38-E43 PolarHBondContact NE-O 3.32Å; R38-E43 PolarHBondContact NH2-O 2.87Å; R38-E43 VanDerWaalsContact NH2-O 3.09Å; R38-D63 IonicContact CZ-OD1 3.64Å; R38-D63 IonicContact CZ-OD2 3.87Å; R38-D63 IonicContact NH1-OD1 2.74Å; R38-D63 PolarHBondContact NH1-OD1 2.98Å; R38-D63 IonicContact NH1-OD2 3.9Å; R38-D63 PolarHBondContact NH1-OD2 3.01Å; R38-D63 IonicContact NH2-OD1 3.7Å; R38-D63 PolarHBondContact NH2-OD1 2.8Å; R38-D63 IonicContact NH2-OD2 3.29Å
39	P	93.8	Very high	97.2	Very high	56 Å²	56	49.4 Å²	49.4	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	131.4	-176.7	-27.1	34.7	0	0	0	112.5	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.98Å; P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.36Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å
40	G	92.4	Very high	97.2	Very high	89 Å²	89	49.4 Å²	49.4	92%	0.918	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	2.2	-177.4	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.49Å
41	R	93.9	Very high	97.2	Very high	212 Å²	212	50.6 Å²	50.6	80%	0.8	27%	0.274	S	S	*	.	S	Bend	trans	-124.1	24.6	179.9	-58.2	-174.9	-178.2	175.2	1.3	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.49Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 3.49Å; R38-R41 PolarHBondContact O-N 2.82Å; P39-R41 PolarHBondContact O-N 2.98Å
42	G	92.3	Very high	97.1	Very high	59 Å²	59	50.2 Å²	50.2	61%	0.608	27%	0.273	S	S	*	.	S	Bend	trans	96	-163.6	179	0	0	0	0	0	113.8
43	E	94.9	Very high	96.9	Very high	99 Å²	99	47.9 Å²	47.9	46%	0.463	26%	0.264	S	S	.	.	S	Bend	trans	-67.5	154.8	-179.9	-64.1	-63.4	165.4	0	0	111.8	R38 R45 R99 R103	R38-E43 PolarHBondContact NE-O 3.32Å; R38-E43 PolarHBondContact NH2-O 2.87Å; R38-E43 VanDerWaalsContact NH2-O 3.09Å; E43-R45 PolarHBondContact O-N 3.28Å; E43-R99 IonicContact OE1-NH1 2.79Å; E43-R99 PolarHBondContact OE1-NH1 3.08Å; E43-R99 VanDerWaalsContact OE2-CD 3.24Å; E43-R99 WeakPolarHBondContact OE2-CD 3.13Å; E43-R99 IonicContact OE2-CZ 3.62Å; E43-R99 IonicContact OE2-NE 3.86Å; E43-R99 IonicContact OE2-NH1 3.46Å; E43-R99 PolarHBondContact OE2-NH1 3.18Å; E43-R103 IonicContact OE2-NH2 3.45Å
44	P	97.4	Very high	96.7	Very high	28 Å²	28	50.7 Å²	50.7	18%	0.182	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-50.8	137.5	173.7	-25.9	34.9	0	0	0	111.9	V36 R99 L102	V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.48Å; P44-R99 HydrophobicContact CG-CG 4.2Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.7Å
45	R	98.3	Very high	96.6	Very high	90 Å²	90	49.9 Å²	49.9	34%	0.34	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.7	173.5	-175.8	-179	-178.3	-175	0	108.5	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 WeakPolarHBondContact CA-O 3.46Å; V36-R45 PolarHBondContact N-O 2.87Å; V36-R45 PolarHBondContact O-N 2.93Å; E43-R45 PolarHBondContact O-N 3.28Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; R45-D61 IonicContact CZ-OD1 3.46Å; R45-D61 IonicContact CZ-OD2 3.32Å; R45-D61 IonicContact NE-OD1 3.86Å; R45-D61 PolarHBondContact NE-OD1 3.43Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 3.74Å; R45-D61 IonicContact NH2-OD1 2.87Å; R45-D61 IonicContact NH2-OD2 3.85Å; R45-D61 PolarHBondContact NH2-OD2 3.25Å; R45-S62 WeakPolarHBondContact CA-OG 3.41Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.24Å; R45-D63 IonicContact NE-OD2 3.24Å
46	F	98.7	Very high	96.5	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.9	177	178.2	-89.8	0	0	0	109.9	F33 T34 S35 A48 F60 S62 V91 H94 D98	F33-F46 HydrophobicContact CB-CE2 3.95Å; F33-F46 HydrophobicContact CB-CZ 3.99Å; F33-F46 HydrophobicContact CD1-CZ 4.22Å; F33-F46 HydrophobicContact CD2-CE2 4.34Å; F33-F46 AromaticContact CD2-CZ 3.97Å; F33-F46 HydrophobicContact CD2-CZ 3.97Å; F33-F46 HydrophobicContact CE2-CZ 4.44Å; F33-F46 HydrophobicContact CG-CE2 4.22Å; F33-F46 AromaticContact CG-CZ 3.81Å; F33-F46 HydrophobicContact CG-CZ 3.81Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; S35-F46 VanDerWaalsContact OG-CD2 3.25Å; S35-F46 WeakPolarHBondContact OG-CD2 3.34Å; F46-A48 HydrophobicContact CE1-CB 3.59Å; F46-A48 HydrophobicContact CZ-CB 3.92Å; F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; F46-S62 PolarHBondContact N-OG 2.67Å; F46-S62 PolarHBondContact O-N 3.09Å; F46-S62 PolarHBondContact O-OG 3.24Å; F46-V91 HydrophobicContact CE1-CB 4.11Å; F46-H94 AromaticContact CE2-CD2 3.79Å; F46-H94 HydrophobicContact CZ-CB 4.41Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.44Å
47	I	98.8	Very high	96.4	Very high	48 Å²	48	49.7 Å²	49.7	25%	0.246	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.9	174.1	-58.6	174	0	0	0	107.6	F33 T34 R45 V49 F60	F33-I47 CarbonylContact C-O 3.55Å; F33-I47 WeakPolarHBondContact CA-O 3.32Å; T34-I47 PolarHBondContact N-O 3.17Å; T34-I47 PolarHBondContact O-N 2.75Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; I47-V49 HydrophobicContact CG2-CG1 4.34Å; I47-F60 WeakPolarHBondContact CA-O 3.33Å
48	A	98.8	Very high	96.5	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137	171.9	0	0	0	0	0	110	F32 F33 F46 R59 F60 V91	F32-A48 WeakPolarHBondContact O-CA 3.35Å; F33-A48 HydrophobicContact CD1-CB 3.25Å; F33-A48 HydrophobicContact CE1-CB 3.38Å; F33-A48 HydrophobicContact CG-CB 4.2Å; F33-A48 HydrophobicContact CZ-CB 4.36Å; F46-A48 HydrophobicContact CE1-CB 3.59Å; F46-A48 HydrophobicContact CZ-CB 3.92Å; A48-R59 CarbonylContact O-C 3.51Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.39Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 PolarHBondContact N-O 3.48Å; A48-F60 PolarHBondContact O-N 3.06Å; A48-V91 HydrophobicContact CB-CG1 4.24Å
49	V	98.8	Very high	96.6	Very high	29 Å²	29	49.5 Å²	49.5	18%	0.176	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.9	174.5	-62	0	0	0	0	109.9	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.3Å; F32-V49 HydrophobicContact CB-CG2 3.82Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.17Å; F32-V49 PolarHBondContact O-N 2.98Å; I47-V49 HydrophobicContact CG2-CG1 4.34Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.28Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; V49-V58 WeakPolarHBondContact CA-O 3.31Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.21Å
50	G	98.6	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.8	175.5	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.38Å; G50-Q56 WeakPolarHBondContact O-CA 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 2.79Å; G50-V58 PolarHBondContact N-O 3.06Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 3.26Å
51	Y	98.4	Very high	97.1	Very high	71 Å²	71	43.6 Å²	43.6	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.7	179.7	-78.5	-101.7	0	0	0	110.9	M29 R30 F32 V49 T55 Q56 F57	M29-Y51 WeakPolarHBondContact CA-O 3.31Å; R30-Y51 PolarHBondContact N-O 3.46Å; R30-Y51 PolarHBondContact O-N 2.89Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.28Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; Y51-T55 WeakPolarHBondContact CA-O 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.06Å; Y51-Q56 VanDerWaalsContact CD1-N 3.35Å; Y51-Q56 HydrophobicContact CD2-CB 4.48Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.59Å; Y51-Q56 HydrophobicContact CE1-CG 4.35Å; Y51-Q56 HydrophobicContact CE2-CB 4.05Å; Y51-Q56 HydrophobicContact CE2-CG 3.89Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Y51-F57 VanDerWaalsContact C-CE1 3.49Å; Y51-F57 VanDerWaalsContact N-CE1 3.33Å
52	M	96.9	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.9	160.7	-77.5	-64.8	-61.5	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-M52 WeakPolarHBondContact O-CA 3.34Å; M29-M52 HydrophobicContact CB-SD 3.68Å; M29-M52 HydrophobicContact CG-SD 3.72Å; M29-M52 HydrophobicContact SD-SD 4.06Å; M52-D54 PolarHBondContact O-N 3.26Å; M52-T55 PolarHBondContact N-O 2.89Å; M52-T55 WeakPolarHBondContact O-CA 3.4Å; M52-T55 WeakPolarHBondContact O-CB 3.36Å; M52-T55 PolarHBondContact O-N 2.92Å; M52-F57 HydrophobicContact CB-CD1 4.39Å; M52-F57 HydrophobicContact CG-CD1 3.88Å; M52-F57 HydrophobicContact CG-CE1 4.03Å; M52-F57 HydrophobicContact CG-CG 4.47Å; M52-W75 HydrophobicContact CB-CH2 4.27Å; M52-W75 HydrophobicContact CB-CZ2 4.22Å; M52-W75 HydrophobicContact CG-CH2 3.6Å; M52-W75 HydrophobicContact CG-CZ2 4.06Å; M52-L192 HydrophobicContact CE-CD2 4.16Å; M52-L192 HydrophobicContact CE-CG 3.9Å; M52-L192 HydrophobicContact SD-CG 4.24Å; M52-Y195 HydrophobicContact CG-CD2 4.34Å; M52-Y195 HydrophobicContact SD-CD2 3.98Å; M52-L196 HydrophobicContact CE-CD2 3.68Å; M52-L196 HydrophobicContact CE-CG 3.7Å; M52-L203 HydrophobicContact CB-CD1 4.04Å; M52-L203 HydrophobicContact CB-CD2 3.8Å; M52-L203 HydrophobicContact CE-CD1 4.19Å; M52-L203 HydrophobicContact CG-CD1 4.26Å
53	D	94.8	Very high	97.5	Very high	32 Å²	32	35.2 Å²	35.2	17%	0.171	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-122.1	-167.8	-55.3	-43.6	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.28Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 2.71Å; H27-D53 IonicContact CG-OD2 3.76Å; H27-D53 IonicContact ND1-OD1 3.05Å; H27-D53 IonicContact ND1-OD2 3.59Å; H27-D53 PolarHBondContact ND1-OD2 2.9Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 3.17Å; S28-D53 PolarHBondContact OG-OD1 3.22Å; D53-T55 VanDerWaalsContact C-N 3.33Å; D53-T55 PolarHBondContact O-N 3.05Å
54	D	94.1	Very high	97.6	Very high	64 Å²	64	31.9 Å²	31.9	34%	0.342	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.2	178.7	-59.2	-54.5	0	0	0	113.8	M52 Y233 P234 A235 F265	M52-D54 PolarHBondContact O-N 3.26Å; D54-Y233 HydrophobicContact CB-CE2 4.42Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; D54-A235 HydrophobicContact CB-CB 4.22Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 VanDerWaalsContact OD2-CB 3.27Å; D54-A235 WeakPolarHBondContact OD2-CB 3.33Å; D54-A235 PolarHBondContact OD2-N 3.45Å; D54-F265 HydrophobicContact CB-CE2 3.83Å; D54-F265 HydrophobicContact CB-CZ 3.64Å
55	T	95.2	Very high	97.6	Very high	24 Å²	24	36 Å²	36	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113	-173.4	-54.3	0	0	0	0	112.2	Y51 M52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.49Å; M52-T55 PolarHBondContact N-O 2.89Å; M52-T55 WeakPolarHBondContact O-CA 3.4Å; M52-T55 WeakPolarHBondContact O-CB 3.36Å; M52-T55 PolarHBondContact O-N 2.92Å; D53-T55 VanDerWaalsContact C-N 3.33Å; D53-T55 PolarHBondContact O-N 3.05Å; T55-F57 PolarHBondContact O-N 3.28Å; T55-L203 HydrophobicContact CG2-CD2 4.19Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.36Å; T55-Y233 PolarHBondContact OG1-OH 2.98Å
56	Q	97.2	Very high	97.3	Very high	49 Å²	49	34.2 Å²	34.2	23%	0.229	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.7	174.4	-167.2	178.6	5.2	0	0	110.6	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.43Å; Y51-Q56 HydrophobicContact CD1-CB 4.06Å; Y51-Q56 VanDerWaalsContact CD1-N 3.35Å; Y51-Q56 HydrophobicContact CD2-CB 4.48Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.59Å; Y51-Q56 HydrophobicContact CE1-CG 4.35Å; Y51-Q56 HydrophobicContact CE2-CB 4.05Å; Y51-Q56 HydrophobicContact CE2-CG 3.89Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.38Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.32Å
57	F	97.9	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-22.7	-179.8	72.3	-84.1	0	0	0	114.3	M29 Y31 G50 Y51 M52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.31Å; M29-F57 HydrophobicContact CG-CZ 4.33Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE2-CZ 4.42Å; Y31-F57 AromaticContact CZ-CZ 3.72Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.21Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 2.79Å; Y51-F57 VanDerWaalsContact C-CE1 3.49Å; Y51-F57 VanDerWaalsContact N-CE1 3.33Å; M52-F57 HydrophobicContact CB-CD1 4.39Å; M52-F57 HydrophobicContact CG-CD1 3.88Å; M52-F57 HydrophobicContact CG-CE1 4.03Å; M52-F57 HydrophobicContact CG-CG 4.47Å; T55-F57 PolarHBondContact O-N 3.28Å; F57-R72 PolarHBondContact O-N 2.84Å; F57-A73 HydrophobicContact CB-CB 4.16Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4.04Å; F57-W75 HydrophobicContact CD1-CH2 4.12Å; F57-W75 AromaticContact CD2-CH2 3.83Å; F57-W75 HydrophobicContact CD2-CH2 3.83Å; F57-W75 HydrophobicContact CD2-CZ3 4.2Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.28Å; F57-I76 HydrophobicContact CD2-CD1 4.09Å; F57-I76 HydrophobicContact CD2-CG1 4.14Å; F57-I76 HydrophobicContact CE2-CD1 4.49Å; F57-I76 VanDerWaalsContact O-CG2 3.25Å; F57-I76 WeakPolarHBondContact O-CG2 3.32Å; F57-Y195 HydrophobicContact CD2-CE2 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.19Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.35Å; F57-Y195 AromaticContact CZ-CE2 3.99Å; F57-Y195 HydrophobicContact CZ-CE2 3.99Å
58	V	98.5	Very high	97.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155	176.6	-72.2	0	0	0	0	112.7	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.96Å; V49-V58 WeakPolarHBondContact CA-O 3.31Å; G50-V58 PolarHBondContact N-O 3.06Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 3.26Å; Q56-V58 PolarHBondContact NE2-O 3.38Å; V58-M69 HydrophobicContact CB-CG 4.15Å; V58-M69 HydrophobicContact CB-SD 3.69Å; V58-M69 HydrophobicContact CG1-CG 4.21Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-CE 4.5Å; V58-M69 HydrophobicContact CG2-SD 4.17Å; V58-E70 WeakPolarHBondContact CA-O 3.49Å; V58-I76 HydrophobicContact CG1-CG1 4.34Å; V58-W84 HydrophobicContact CG1-CH2 4.14Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å
59	R	98.5	Very high	97.1	Very high	84 Å²	84	43.8 Å²	43.8	32%	0.317	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.8	174	179.4	173.2	171.3	163.2	-1.6	111.7	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.51Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.39Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.21Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 2.91Å; R59-E70 PolarHBondContact N-O 2.83Å; R59-E70 PolarHBondContact O-N 3.41Å; R59-R72 HydrophobicContact CB-CG 3.82Å
60	F	98.8	Very high	97.1	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.8	165.3	176	-82.3	0	0	0	109.7	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.33Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 PolarHBondContact N-O 3.48Å; A48-F60 PolarHBondContact O-N 3.06Å; F60-Q67 VanDerWaalsContact CE2-C 3.47Å; F60-Q67 HydrophobicContact CE2-CB 4.44Å; F60-Q67 WeakPolarHBondContact CE2-O 3.38Å; F60-Q67 HydrophobicContact CZ-CB 4.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.03Å; F60-M69 HydrophobicContact CB-CE 4.33Å; F60-M69 HydrophobicContact CB-SD 3.99Å; F60-V91 HydrophobicContact CB-CG2 4.02Å; F60-V91 HydrophobicContact CD1-CG2 4.15Å; F60-V91 HydrophobicContact CD2-CG2 3.39Å; F60-V91 HydrophobicContact CE1-CG2 4.5Å; F60-V91 HydrophobicContact CE2-CG2 3.8Å; F60-V91 HydrophobicContact CG-CB 4.35Å; F60-V91 HydrophobicContact CG-CG2 3.59Å; F60-V91 HydrophobicContact CZ-CG2 4.35Å; F60-K92 HydrophobicContact CE2-CG 4.15Å; F60-K92 HydrophobicContact CZ-CG 4.02Å
61	D	98.6	Very high	97.1	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.102	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.8	174	-166.9	-25.9	0	0	0	109.1	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.46Å; R45-D61 IonicContact CZ-OD2 3.32Å; R45-D61 IonicContact NE-OD1 3.86Å; R45-D61 PolarHBondContact NE-OD1 3.43Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 3.74Å; R45-D61 IonicContact NH2-OD1 2.87Å; R45-D61 IonicContact NH2-OD2 3.85Å; R45-D61 PolarHBondContact NH2-OD2 3.25Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 2.91Å; D61-D63 PolarHBondContact O-N 2.92Å; D61-D63 PolarHBondContact OD1-N 2.93Å; D61-D63 VanDerWaalsContact OD1-N 3.09Å; D61-A64 HydrophobicContact CB-CB 4.15Å; D61-A64 WeakPolarHBondContact O-CB 2.93Å; D61-A64 PolarHBondContact O-N 3.17Å; D61-A64 VanDerWaalsContact O-N 3.11Å
62	S	98.1	Very high	97	Very high	20 Å²	20	49.7 Å²	49.7	14%	0.14	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.9	-179.2	66.1	0	0	0	0	113.1	R45 F46 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.41Å; F46-S62 PolarHBondContact N-OG 2.67Å; F46-S62 PolarHBondContact O-N 3.09Å; F46-S62 PolarHBondContact O-OG 3.24Å; S62-Q67 PolarHBondContact O-NE2 2.92Å
63	D	97.4	Very high	97	Very high	75 Å²	75	49.9 Å²	49.9	40%	0.401	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.7	178.7	-73.7	0.4	0	0	0	112.4	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.64Å; R38-D63 IonicContact CZ-OD2 3.87Å; R38-D63 IonicContact NH1-OD1 2.74Å; R38-D63 PolarHBondContact NH1-OD1 2.98Å; R38-D63 IonicContact NH1-OD2 3.9Å; R38-D63 PolarHBondContact NH1-OD2 3.01Å; R38-D63 IonicContact NH2-OD1 3.7Å; R38-D63 PolarHBondContact NH2-OD1 2.8Å; R38-D63 IonicContact NH2-OD2 3.29Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.24Å; R45-D63 IonicContact NE-OD2 3.24Å; D61-D63 PolarHBondContact O-N 2.92Å; D61-D63 PolarHBondContact OD1-N 2.93Å; D61-D63 VanDerWaalsContact OD1-N 3.09Å
64	A	97.1	Very high	97.1	Very high	28 Å²	28	53.3 Å²	53.3	23%	0.231	29%	0.287	C	S	.	.	S	Bend	trans	-70.3	146.7	175.2	0	0	0	0	0	111.3	D61 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.15Å; D61-A64 WeakPolarHBondContact O-CB 2.93Å; D61-A64 PolarHBondContact O-N 3.17Å; D61-A64 VanDerWaalsContact O-N 3.11Å; A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 2.79Å; A64-Q67 WeakPolarHBondContact O-CG 3.38Å; A64-Q67 PolarHBondContact O-N 2.03Å
65	A	96.3	Very high	97.1	Very high	114 Å²	114	51 Å²	51	94%	0.942	27%	0.274	S	S	*	.	S	Bend	trans	-64.1	-34	-179.4	0	0	0	0	0	113.4
66	S	93	Very high	97.3	Very high	54 Å²	54	49.9 Å²	49.9	38%	0.378	27%	0.267	S	S	.	.	S	Bend	trans	-72.3	-33.8	178.8	58.2	0	0	0	0	112.1	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 2.79Å; S66-R68 WeakPolarHBondContact O-CG 3.33Å; S66-R68 PolarHBondContact O-N 3.28Å; S66-E70 PolarHBondContact OG-OE1 2.96Å
67	Q	95.9	Very high	97.2	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.421	28%	0.283	S	S	.	.			trans	40.1	51.9	-168.3	-58.8	-173.3	-25.1	0	0	111.6	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.47Å; F60-Q67 HydrophobicContact CE2-CB 4.44Å; F60-Q67 WeakPolarHBondContact CE2-O 3.38Å; F60-Q67 HydrophobicContact CZ-CB 4.43Å; S62-Q67 PolarHBondContact O-NE2 2.92Å; A64-Q67 WeakPolarHBondContact O-CG 3.38Å; A64-Q67 PolarHBondContact O-N 2.03Å; Q67-K92 WeakPolarHBondContact O-CE 3.42Å; Q67-K92 PolarHBondContact O-NZ 2.91Å
68	R	97.9	Very high	97.1	Very high	154 Å²	154	59.3 Å²	59.3	58%	0.581	31%	0.311	S	S	*	.	S	Bend	trans	-125.8	156.5	178.7	-78.7	178.9	175.7	-175.9	-4.4	110.3	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.03Å; S66-R68 WeakPolarHBondContact O-CG 3.33Å; S66-R68 PolarHBondContact O-N 3.28Å; R68-E70 PolarHBondContact O-N 3.37Å; R68-T88 HydrophobicContact CB-CG2 4.48Å; R68-T88 HydrophobicContact CG-CG2 4.16Å
69	M	98.3	Very high	97	Very high	9 Å²	9	59.8 Å²	59.8	4%	0.044	31%	0.313	C	S	.	.			trans	-67.7	128.5	166.6	-172.9	63.5	85.5	0	0	108.3	V58 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.15Å; V58-M69 HydrophobicContact CB-SD 3.69Å; V58-M69 HydrophobicContact CG1-CG 4.21Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-CE 4.5Å; V58-M69 HydrophobicContact CG2-SD 4.17Å; F60-M69 HydrophobicContact CB-CE 4.33Å; F60-M69 HydrophobicContact CB-SD 3.99Å; M69-W84 HydrophobicContact CB-CE3 4.23Å; M69-W84 HydrophobicContact CG-CE3 4.09Å; M69-W84 HydrophobicContact CG-CZ3 3.94Å; M69-E87 HydrophobicContact CB-CB 4.11Å; M69-E87 HydrophobicContact CE-CB 4.42Å; M69-E87 HydrophobicContact CG-CB 4.08Å; M69-T88 PolarHBondContact N-OG1 3.41Å; M69-V91 HydrophobicContact CE-CB 4.43Å; M69-V91 HydrophobicContact CE-CG1 3.39Å; M69-V91 HydrophobicContact CE-CG2 4.26Å
70	E	98.2	Very high	96.9	Very high	60 Å²	60	57.5 Å²	57.5	28%	0.28	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.2	-174.8	-66.8	174.3	169.3	0	0	110.6	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.49Å; R59-E70 PolarHBondContact N-O 2.83Å; R59-E70 PolarHBondContact O-N 3.41Å; S66-E70 PolarHBondContact OG-OE1 2.96Å; R68-E70 PolarHBondContact O-N 3.37Å; E70-R72 IonicContact OE2-CZ 2.73Å; E70-R72 IonicContact OE2-NH2 3.07Å; E70-R72 PolarHBondContact OE2-NH2 2.82Å
71	P	98.1	Very high	96.9	Very high	47 Å²	47	62.1 Å²	62.1	31%	0.305	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	145.7	173.5	28.2	-33.9	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.66Å; P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å
72	R	97.4	Very high	96.8	Very high	116 Å²	116	69.1 Å²	69.1	44%	0.438	38%	0.378	S	S	.	.			trans	-127.8	-0.7	174.3	-60.4	-64.4	168.6	-178.2	-1.8	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.32Å; F57-R72 PolarHBondContact O-N 2.84Å; R59-R72 HydrophobicContact CB-CG 3.82Å; E70-R72 IonicContact OE2-CZ 2.73Å; E70-R72 IonicContact OE2-NH2 3.07Å; E70-R72 PolarHBondContact OE2-NH2 2.82Å
73	A	95.9	Very high	96.8	Very high	4 Å²	4	69 Å²	69	3%	0.033	37%	0.374	C	S	.	.	S	Bend	trans	-136.7	143.6	173.3	0	0	0	0	0	110.8	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.16Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.18Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 2.89Å; A73-I76 WeakPolarHBondContact O-CG2 3.29Å; A73-I76 PolarHBondContact O-N 2.91Å
74	P	96.1	Very high	96.9	Very high	104 Å²	104	67.5 Å²	67.5	68%	0.675	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-58.6	-37.1	-177.4	-26.8	35.1	0	0	0	114	I76 E77	P74-I76 PolarHBondContact O-N 3.37Å; P74-E77 WeakPolarHBondContact O-CB 3.17Å; P74-E77 PolarHBondContact O-N 3.29Å; P74-E77 VanDerWaalsContact O-N 3.14Å
75	W	95.8	Very high	96.9	Very high	17 Å²	17	70.1 Å²	70.1	6%	0.064	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-70.4	-14	-176.5	54.3	-105.6	0	0	0	114.3	M52 F57 A73 Q78 Y195 L203	M52-W75 HydrophobicContact CB-CH2 4.27Å; M52-W75 HydrophobicContact CB-CZ2 4.22Å; M52-W75 HydrophobicContact CG-CH2 3.6Å; M52-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4.04Å; F57-W75 HydrophobicContact CD1-CH2 4.12Å; F57-W75 AromaticContact CD2-CH2 3.83Å; F57-W75 HydrophobicContact CD2-CH2 3.83Å; F57-W75 HydrophobicContact CD2-CZ3 4.2Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.28Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.18Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 2.89Å; W75-Q78 WeakPolarHBondContact O-CG 3.18Å; W75-Q78 PolarHBondContact O-NE2 2.98Å; W75-Y195 HydrophobicContact CH2-CG 4.32Å; W75-Y195 AromaticContact CZ3-CD1 3.91Å; W75-Y195 HydrophobicContact CZ3-CD1 3.91Å; W75-Y195 HydrophobicContact CZ3-CD2 4.38Å; W75-Y195 AromaticContact CZ3-CG 3.74Å; W75-Y195 HydrophobicContact CZ3-CG 3.74Å; W75-L203 HydrophobicContact CH2-CD1 4.31Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.36Å
76	I	97.5	Very high	97	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-89.9	-19.8	173.4	-162.7	71.3	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CD1 4.09Å; F57-I76 HydrophobicContact CD2-CG1 4.14Å; F57-I76 HydrophobicContact CE2-CD1 4.49Å; F57-I76 VanDerWaalsContact O-CG2 3.25Å; F57-I76 WeakPolarHBondContact O-CG2 3.32Å; V58-I76 HydrophobicContact CG1-CG1 4.34Å; P71-I76 HydrophobicContact CB-CG2 3.66Å; A73-I76 WeakPolarHBondContact O-CG2 3.29Å; A73-I76 PolarHBondContact O-N 2.91Å; P74-I76 PolarHBondContact O-N 3.37Å; I76-Q78 PolarHBondContact O-N 2.81Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.43Å; I76-E79 PolarHBondContact O-N 2.93Å; I76-Y83 HydrophobicContact CD1-CE1 4.24Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.11Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.43Å; I76-W84 WeakPolarHBondContact O-CZ2 3.11Å; I76-Y195 HydrophobicContact CD1-CD1 3.79Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å
77	E	96.4	Very high	97.2	Very high	123 Å²	123	67.2 Å²	67.2	58%	0.575	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.8	-176.7	-65.1	-178.6	-174.9	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P74-E77 WeakPolarHBondContact O-CB 3.17Å; P74-E77 PolarHBondContact O-N 3.29Å; P74-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 2.96Å
78	Q	95.3	Very high	97.4	Very high	123 Å²	123	63.5 Å²	63.5	58%	0.575	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-12.8	175.8	67.8	-177.7	-2.7	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.18Å; W75-Q78 PolarHBondContact O-NE2 2.98Å; I76-Q78 PolarHBondContact O-N 2.81Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 2.84Å; Q78-N198 PolarHBondContact NE2-OD1 2.98Å
79	E	97.3	Very high	97.4	Very high	12 Å²	12	63.7 Å²	63.7	6%	0.056	32%	0.318	C	S	.	.	S	Bend	trans	-64.5	138.6	176.1	-67.7	-61.1	159.6	0	0	111.1	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.43Å; I76-E79 PolarHBondContact O-N 2.93Å; E77-E79 PolarHBondContact O-N 2.96Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 3.99Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 HydrophobicContact CB-CZ2 4.44Å; E79-W84 PolarHBondContact O-NE1 2.77Å; E79-R194 VanDerWaalsContact CD-NH2 3.28Å; E79-R194 IonicContact OE1-CZ 3.76Å; E79-R194 IonicContact OE1-NE 3.31Å; E79-R194 PolarHBondContact OE1-NE 2.83Å; E79-R194 IonicContact OE1-NH2 3.7Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 2.78Å; E79-R194 IonicContact OE2-NE 3.93Å; E79-R194 IonicContact OE2-NH2 2.77Å; E79-R194 PolarHBondContact OE2-NH2 3.5Å; E79-N198 PolarHBondContact OE1-ND2 2.79Å
80	G	96.8	Very high	97.3	Very high	35 Å²	35	66.6 Å²	66.6	36%	0.361	33%	0.334	S	S	.	.			trans	-70.5	167.4	-174.3	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.35Å; G80-Y83 WeakPolarHBondContact O-CB 3.31Å; G80-Y83 PolarHBondContact O-N 3.31Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 3.48Å
81	P	97.3	Very high	97.3	Very high	100 Å²	100	64 Å²	64	65%	0.649	32%	0.322	S	S	*	.	H	α-helix	trans	-57.9	-33.3	-179.4	23.4	-33.9	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.95Å; P81-W84 PolarHBondContact O-N 2.65Å; P81-D85 WeakPolarHBondContact O-CB 3.3Å; P81-D85 PolarHBondContact O-N 2.81Å
82	E	97.8	Very high	97.3	Very high	167 Å²	167	65.6 Å²	65.6	78%	0.78	32%	0.324	S	S	*	.	H	α-helix	trans	-60.6	-37.5	177.4	-64.7	-179.3	178.9	0	0	112.6	G80 Q86	G80-E82 PolarHBondContact O-N 3.35Å; E82-Q86 VanDerWaalsContact O-CB 3.23Å; E82-Q86 WeakPolarHBondContact O-CB 3.37Å; E82-Q86 PolarHBondContact O-N 3.02Å
83	Y	97.7	Very high	97.3	Very high	18 Å²	18	63 Å²	63	7%	0.071	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-51.6	175.2	170.5	-95.9	0	0	0	110.4	I76 E79 G80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.24Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 3.99Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.31Å; G80-Y83 PolarHBondContact O-N 3.31Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.95Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.24Å; Y83-Q86 PolarHBondContact O-N 2.75Å; Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CD2-CG 4.1Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.44Å; Y83-E87 WeakPolarHBondContact O-CB 3.25Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 2.87Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.16Å; Y83-W191 AromaticContact CD2-CZ3 3.98Å; Y83-W191 HydrophobicContact CD2-CZ3 3.98Å; Y83-W191 AromaticContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CZ2 4.4Å; Y83-W191 AromaticContact CE2-CZ3 3.96Å; Y83-W191 HydrophobicContact CE2-CZ3 3.96Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 VanDerWaalsContact CZ-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 3.4Å
84	W	98.3	Very high	97.4	Very high	42 Å²	42	64.7 Å²	64.7	16%	0.159	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-38.7	-178.6	-63.8	111.7	0	0	0	113	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.14Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å; M69-W84 HydrophobicContact CB-CE3 4.23Å; M69-W84 HydrophobicContact CG-CE3 4.09Å; M69-W84 HydrophobicContact CG-CZ3 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.11Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.43Å; I76-W84 WeakPolarHBondContact O-CZ2 3.11Å; E79-W84 HydrophobicContact CB-CZ2 4.44Å; E79-W84 PolarHBondContact O-NE1 2.77Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 3.48Å; P81-W84 PolarHBondContact O-N 2.65Å; W84-T88 WeakPolarHBondContact O-CB 3.44Å; W84-T88 PolarHBondContact O-N 2.97Å; W84-T88 PolarHBondContact O-OG1 3.16Å
85	D	98.2	Very high	97.4	Very high	84 Å²	84	60.6 Å²	60.6	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-68.2	-40.4	175.4	-76.8	-20.8	0	0	0	111.5	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 3.3Å; P81-D85 PolarHBondContact O-N 2.81Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.24Å; D85-R89 WeakPolarHBondContact O-CB 3.29Å; D85-R89 VanDerWaalsContact O-CG 3.3Å; D85-R89 WeakPolarHBondContact O-CG 3.17Å; D85-R89 PolarHBondContact O-N 2.88Å
86	Q	97.9	Very high	97.5	Very high	77 Å²	77	64.6 Å²	64.6	36%	0.36	33%	0.328	S	S	.	.	H	α-helix	trans	-64.6	-50.7	175.6	-174.5	60.8	41.9	0	0	111.5	E82 Y83 T88 R89 N90	E82-Q86 VanDerWaalsContact O-CB 3.23Å; E82-Q86 WeakPolarHBondContact O-CB 3.37Å; E82-Q86 PolarHBondContact O-N 3.02Å; Y83-Q86 PolarHBondContact O-N 2.75Å; Q86-T88 VanDerWaalsContact C-N 3.32Å; Q86-T88 PolarHBondContact O-N 2.88Å; Q86-R89 PolarHBondContact O-N 2.87Å; Q86-R89 VanDerWaalsContact O-N 3.13Å; Q86-N90 PolarHBondContact NE2-OD1 3.24Å; Q86-N90 PolarHBondContact O-N 3.07Å; Q86-N90 PolarHBondContact O-ND2 3.04Å; Q86-N90 PolarHBondContact O-OD1 3.14Å
87	E	97.9	Very high	97.5	Very high	29 Å²	29	68.3 Å²	68.3	14%	0.136	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-41.3	179.9	-72.3	-56.2	101.9	0	0	111.5	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.11Å; M69-E87 HydrophobicContact CE-CB 4.42Å; M69-E87 HydrophobicContact CG-CB 4.08Å; Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CD2-CG 4.1Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.44Å; Y83-E87 WeakPolarHBondContact O-CB 3.25Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 2.87Å; E87-R89 PolarHBondContact O-N 3.37Å; E87-N90 PolarHBondContact O-N 2.69Å; E87-N90 PolarHBondContact OE1-ND2 2.83Å; E87-V91 WeakPolarHBondContact O-CG2 3.13Å; E87-V91 PolarHBondContact O-N 3.25Å
88	T	98.5	Very high	97.5	Very high	12 Å²	12	62.7 Å²	62.7	7%	0.074	33%	0.325	C	S	.	.	H	α-helix	trans	-61	-42.8	174.3	-62.8	0	0	0	0	111.8	R68 M69 W84 Q86 V91 K92	R68-T88 HydrophobicContact CB-CG2 4.48Å; R68-T88 HydrophobicContact CG-CG2 4.16Å; M69-T88 PolarHBondContact N-OG1 3.41Å; W84-T88 WeakPolarHBondContact O-CB 3.44Å; W84-T88 PolarHBondContact O-N 2.97Å; W84-T88 PolarHBondContact O-OG1 3.16Å; Q86-T88 VanDerWaalsContact C-N 3.32Å; Q86-T88 PolarHBondContact O-N 2.88Å; T88-V91 WeakPolarHBondContact O-CG2 3.1Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CB 3.44Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.5Å; T88-K92 PolarHBondContact O-N 2.94Å; T88-K92 VanDerWaalsContact O-N 3.07Å
89	R	98.3	Very high	97.6	Very high	158 Å²	158	60 Å²	60	60%	0.596	31%	0.309	S	S	*	.	H	α-helix	trans	-64.6	-43.5	176.5	-76.7	-173.2	-63	174.4	-0.9	111.5	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.29Å; D85-R89 VanDerWaalsContact O-CG 3.3Å; D85-R89 WeakPolarHBondContact O-CG 3.17Å; D85-R89 PolarHBondContact O-N 2.88Å; Q86-R89 PolarHBondContact O-N 2.87Å; Q86-R89 VanDerWaalsContact O-N 3.13Å; E87-R89 PolarHBondContact O-N 3.37Å; R89-K92 PolarHBondContact O-N 3.37Å; R89-A93 WeakPolarHBondContact O-CB 3.48Å; R89-A93 PolarHBondContact O-N 3.47Å
90	N	97.1	Very high	97.6	Very high	71 Å²	71	65.1 Å²	65.1	38%	0.38	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-52.1	179.5	-69.5	-14.9	0	0	0	111.1	Q86 E87 K92 A93 H94	Q86-N90 PolarHBondContact NE2-OD1 3.24Å; Q86-N90 PolarHBondContact O-N 3.07Å; Q86-N90 PolarHBondContact O-ND2 3.04Å; Q86-N90 PolarHBondContact O-OD1 3.14Å; E87-N90 PolarHBondContact O-N 2.69Å; E87-N90 PolarHBondContact OE1-ND2 2.83Å; N90-K92 VanDerWaalsContact C-N 3.35Å; N90-K92 PolarHBondContact O-N 2.67Å; N90-A93 PolarHBondContact O-N 3.43Å; N90-H94 PolarHBondContact O-N 3.17Å
91	V	97.8	Very high	97.7	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-31.5	-179.9	-62.8	0	0	0	0	113.2	F33 F46 A48 F60 M69 E87 T88 H94 S95	F33-V91 HydrophobicContact CZ-CG1 4.27Å; F46-V91 HydrophobicContact CE1-CB 4.11Å; A48-V91 HydrophobicContact CB-CG1 4.24Å; F60-V91 HydrophobicContact CB-CG2 4.02Å; F60-V91 HydrophobicContact CD1-CG2 4.15Å; F60-V91 HydrophobicContact CD2-CG2 3.39Å; F60-V91 HydrophobicContact CE1-CG2 4.5Å; F60-V91 HydrophobicContact CE2-CG2 3.8Å; F60-V91 HydrophobicContact CG-CB 4.35Å; F60-V91 HydrophobicContact CG-CG2 3.59Å; F60-V91 HydrophobicContact CZ-CG2 4.35Å; M69-V91 HydrophobicContact CE-CB 4.43Å; M69-V91 HydrophobicContact CE-CG1 3.39Å; M69-V91 HydrophobicContact CE-CG2 4.26Å; E87-V91 WeakPolarHBondContact O-CG2 3.13Å; E87-V91 PolarHBondContact O-N 3.25Å; T88-V91 WeakPolarHBondContact O-CG2 3.1Å; V91-H94 PolarHBondContact O-N 3.25Å; V91-S95 PolarHBondContact O-N 2.93Å
92	K	98.1	Very high	97.7	Very high	80 Å²	80	61 Å²	61	35%	0.348	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-43.5	172.1	-77.9	-175.6	-179.6	-177.8	0	111.7	F60 Q67 T88 R89 N90 H94 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.15Å; F60-K92 HydrophobicContact CZ-CG 4.02Å; Q67-K92 WeakPolarHBondContact O-CE 3.42Å; Q67-K92 PolarHBondContact O-NZ 2.91Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CB 3.44Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.5Å; T88-K92 PolarHBondContact O-N 2.94Å; T88-K92 VanDerWaalsContact O-N 3.07Å; R89-K92 PolarHBondContact O-N 3.37Å; N90-K92 VanDerWaalsContact C-N 3.35Å; N90-K92 PolarHBondContact O-N 2.67Å; K92-H94 VanDerWaalsContact C-N 3.32Å; K92-H94 PolarHBondContact O-N 2.79Å; K92-S95 PolarHBondContact O-N 3.42Å; K92-S95 PolarHBondContact O-OG 2.92Å; K92-Q96 PolarHBondContact O-N 3.4Å
93	A	97.9	Very high	97.6	Very high	61 Å²	61	58.8 Å²	58.8	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-41.2	175.1	0	0	0	0	0	111.6	R89 N90 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.48Å; R89-A93 PolarHBondContact O-N 3.47Å; N90-A93 PolarHBondContact O-N 3.43Å; A93-Q96 PolarHBondContact O-N 3.04Å; A93-T97 PolarHBondContact O-N 2.98Å; A93-T97 VanDerWaalsContact O-N 3.17Å; A93-T97 PolarHBondContact O-OG1 2.9Å; A93-T97 VanDerWaalsContact O-OG1 3.09Å
94	H	97.3	Very high	97.6	Very high	40 Å²	40	59.6 Å²	59.6	19%	0.185	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-43.9	176.1	-158.7	95	0	0	0	112.1	F33 F46 N90 V91 K92 Q96 T97 D98 M121	F33-H94 AromaticContact CD2-CD2 3.41Å; F33-H94 VanDerWaalsContact CD2-CD2 3.41Å; F33-H94 WeakPolarHBondContact CD2-CD2 3.17Å; F33-H94 AromaticContact CD2-CE1 3.87Å; F33-H94 AromaticContact CD2-CG 3.79Å; F33-H94 AromaticContact CD2-NE2 3.45Å; F33-H94 WeakPolarHBondContact CD2-NE2 3.41Å; F33-H94 HydrophobicContact CE2-CB 4.27Å; F33-H94 AromaticContact CE2-CD2 3.84Å; F33-H94 AromaticContact CE2-CG 3.7Å; F33-H94 AromaticContact CE2-ND1 3.84Å; F46-H94 AromaticContact CE2-CD2 3.79Å; F46-H94 HydrophobicContact CZ-CB 4.41Å; N90-H94 PolarHBondContact O-N 3.17Å; V91-H94 PolarHBondContact O-N 3.25Å; K92-H94 VanDerWaalsContact C-N 3.32Å; K92-H94 PolarHBondContact O-N 2.79Å; H94-Q96 PolarHBondContact O-N 2.66Å; H94-T97 CarbonylContact O-C 3.59Å; H94-T97 WeakPolarHBondContact O-CA 3.33Å; H94-T97 VanDerWaalsContact O-CB 3.31Å; H94-T97 WeakPolarHBondContact O-CB 3.48Å; H94-T97 PolarHBondContact O-N 3.11Å; H94-D98 IonicContact CD2-OD1 2.84Å; H94-D98 PolarHBondContact CD2-OD1 2.97Å; H94-D98 IonicContact CD2-OD2 3.23Å; H94-D98 IonicContact NE2-OD1 3.32Å; H94-D98 PolarHBondContact NE2-OD1 2.87Å; H94-D98 PolarHBondContact O-N 3.19Å; H94-M121 PolarHBondContact CE1-SD 3.49Å
95	S	97.4	Very high	97.5	Very high	18 Å²	18	57.9 Å²	57.9	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-32.6	177.6	69.5	0	0	0	0	113.6	V91 K92 R99	V91-S95 PolarHBondContact O-N 2.93Å; K92-S95 PolarHBondContact O-N 3.42Å; K92-S95 PolarHBondContact O-OG 2.92Å; S95-R99 WeakPolarHBondContact O-CB 3.39Å; S95-R99 PolarHBondContact O-N 3.4Å; S95-R99 VanDerWaalsContact O-N 3.12Å
96	Q	97.4	Very high	97.4	Very high	101 Å²	101	55.3 Å²	55.3	47%	0.472	27%	0.271	S	S	.	.	H	α-helix	trans	-70.2	-36.3	172.3	-63.9	-54.4	-49.9	0	0	112.3	K92 A93 H94 R99 E100	K92-Q96 PolarHBondContact O-N 3.4Å; A93-Q96 PolarHBondContact O-N 3.04Å; H94-Q96 PolarHBondContact O-N 2.66Å; Q96-R99 WeakPolarHBondContact O-CB 3.29Å; Q96-R99 PolarHBondContact O-N 2.83Å; Q96-E100 PolarHBondContact O-N 2.89Å
97	T	97.1	Very high	97.3	Very high	78 Å²	78	59.5 Å²	59.5	48%	0.479	28%	0.284	S	S	.	.	H	α-helix	trans	-65.5	-44.2	176	-55.6	0	0	0	0	110.9	A93 H94 R99 E100 S101	A93-T97 PolarHBondContact O-N 2.98Å; A93-T97 VanDerWaalsContact O-N 3.17Å; A93-T97 PolarHBondContact O-OG1 2.9Å; A93-T97 VanDerWaalsContact O-OG1 3.09Å; H94-T97 CarbonylContact O-C 3.59Å; H94-T97 WeakPolarHBondContact O-CA 3.33Å; H94-T97 VanDerWaalsContact O-CB 3.31Å; H94-T97 WeakPolarHBondContact O-CB 3.48Å; H94-T97 PolarHBondContact O-N 3.11Å; T97-R99 VanDerWaalsContact C-N 3.32Å; T97-R99 PolarHBondContact O-N 3.29Å; T97-E100 PolarHBondContact O-N 3.39Å; T97-S101 WeakPolarHBondContact O-CB 3.33Å; T97-S101 PolarHBondContact O-N 2.64Å; T97-S101 PolarHBondContact O-OG 3.09Å
98	D	97.1	Very high	97.3	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.032	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-39.5	176.3	-84.3	10	0	0	0	112.4	S35 F46 H94 E100 S101 L102	S35-D98 WeakPolarHBondContact CB-OD2 3.35Å; S35-D98 WeakPolarHBondContact OG-CB 3.15Å; S35-D98 VanDerWaalsContact OG-CG 3.31Å; S35-D98 PolarHBondContact OG-OD2 3.06Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.44Å; H94-D98 IonicContact CD2-OD1 2.84Å; H94-D98 PolarHBondContact CD2-OD1 2.97Å; H94-D98 IonicContact CD2-OD2 3.23Å; H94-D98 IonicContact NE2-OD1 3.32Å; H94-D98 PolarHBondContact NE2-OD1 2.87Å; H94-D98 PolarHBondContact O-N 3.19Å; D98-E100 VanDerWaalsContact C-N 3.31Å; D98-E100 PolarHBondContact O-N 3.49Å; D98-S101 CarbonylContact O-C 3.59Å; D98-S101 PolarHBondContact O-N 3.39Å; D98-L102 WeakPolarHBondContact O-CG 3.38Å; D98-L102 PolarHBondContact O-N 3.49Å
99	R	97.1	Very high	97.3	Very high	66 Å²	66	63 Å²	63	25%	0.249	30%	0.296	C	S	.	.	H	α-helix	trans	-60	-42	175.9	-179.5	-174.4	106.5	139	-14.3	112.1	E43 P44 S95 Q96 T97	E43-R99 IonicContact OE1-NH1 2.79Å; E43-R99 PolarHBondContact OE1-NH1 3.08Å; E43-R99 VanDerWaalsContact OE2-CD 3.24Å; E43-R99 WeakPolarHBondContact OE2-CD 3.13Å; E43-R99 IonicContact OE2-CZ 3.62Å; E43-R99 IonicContact OE2-NE 3.86Å; E43-R99 IonicContact OE2-NH1 3.46Å; E43-R99 PolarHBondContact OE2-NH1 3.18Å; P44-R99 HydrophobicContact CG-CG 4.2Å; S95-R99 WeakPolarHBondContact O-CB 3.39Å; S95-R99 PolarHBondContact O-N 3.4Å; S95-R99 VanDerWaalsContact O-N 3.12Å; Q96-R99 WeakPolarHBondContact O-CB 3.29Å; Q96-R99 PolarHBondContact O-N 2.83Å; T97-R99 VanDerWaalsContact C-N 3.32Å; T97-R99 PolarHBondContact O-N 3.29Å
100	E	97.2	Very high	97.2	Very high	120 Å²	120	62.7 Å²	62.7	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-69.5	-40.9	173.7	-175	168.8	-177.4	0	0	111.4	Q96 T97 D98 L102 R103 I104	Q96-E100 PolarHBondContact O-N 2.89Å; T97-E100 PolarHBondContact O-N 3.39Å; D98-E100 VanDerWaalsContact C-N 3.31Å; D98-E100 PolarHBondContact O-N 3.49Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 2.83Å; E100-R103 WeakPolarHBondContact O-CB 3.47Å; E100-R103 PolarHBondContact O-N 2.86Å; E100-R103 VanDerWaalsContact O-N 3.08Å; E100-I104 HydrophobicContact CG-CD1 3.98Å; E100-I104 HydrophobicContact CG-CG1 4.48Å; E100-I104 WeakPolarHBondContact O-CG1 3.46Å; E100-I104 PolarHBondContact O-N 3.01Å
101	S	97.4	Very high	97.2	Very high	43 Å²	43	62.3 Å²	62.3	30%	0.301	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-40.2	178.3	-59.8	0	0	0	0	112.1	T97 D98 R103 I104 A105	T97-S101 WeakPolarHBondContact O-CB 3.33Å; T97-S101 PolarHBondContact O-N 2.64Å; T97-S101 PolarHBondContact O-OG 3.09Å; D98-S101 CarbonylContact O-C 3.59Å; D98-S101 PolarHBondContact O-N 3.39Å; S101-R103 VanDerWaalsContact C-N 3.34Å; S101-R103 PolarHBondContact O-N 2.97Å; S101-I104 PolarHBondContact O-N 3.24Å; S101-A105 WeakPolarHBondContact O-CB 3.36Å; S101-A105 PolarHBondContact O-N 2.85Å
102	L	97.8	Very high	97	Very high	6 Å²	6	66 Å²	66	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-57.6	-44.6	172.4	-79.3	165.4	0	0	0	111.6	P44 D98 E100 I104 A105 L106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.7Å; D98-L102 WeakPolarHBondContact O-CG 3.38Å; D98-L102 PolarHBondContact O-N 3.49Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 2.83Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-I104 PolarHBondContact O-N 3.2Å; L102-A105 PolarHBondContact O-N 3.19Å; L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 2.91Å; L102-L106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L102-I119 HydrophobicContact CB-CD1 4.41Å; L102-I119 HydrophobicContact CD2-CB 4.46Å; L102-I119 HydrophobicContact CD2-CD1 3.93Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.78Å; L102-I119 HydrophobicContact CG-CG1 4.12Å; L102-Y142 HydrophobicContact CD2-CE2 4.28Å
103	R	96.3	Very high	96.8	Very high	119 Å²	119	70 Å²	70	45%	0.449	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-34.8	177.6	-64.7	174.4	-174.6	159.2	1.8	112.3	E43 E100 S101	E43-R103 IonicContact OE2-NH2 3.45Å; E100-R103 WeakPolarHBondContact O-CB 3.47Å; E100-R103 PolarHBondContact O-N 2.86Å; E100-R103 VanDerWaalsContact O-N 3.08Å; S101-R103 VanDerWaalsContact C-N 3.34Å; S101-R103 PolarHBondContact O-N 2.97Å
104	I	96.6	Very high	96.6	Very high	35 Å²	35	71 Å²	71	18%	0.179	36%	0.355	C	S	.	.	H	α-helix	trans	-69.3	-46.5	175.9	-70.1	168.2	0	0	0	110.4	E100 S101 L102 L106 R107 Y108	E100-I104 HydrophobicContact CG-CD1 3.98Å; E100-I104 HydrophobicContact CG-CG1 4.48Å; E100-I104 WeakPolarHBondContact O-CG1 3.46Å; E100-I104 PolarHBondContact O-N 3.01Å; S101-I104 PolarHBondContact O-N 3.24Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-I104 PolarHBondContact O-N 3.2Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.12Å; I104-R107 WeakPolarHBondContact O-CB 3.4Å; I104-R107 PolarHBondContact O-N 2.93Å; I104-Y108 HydrophobicContact CG2-CD1 4.17Å; I104-Y108 HydrophobicContact CG2-CD2 3.98Å; I104-Y108 HydrophobicContact CG2-CE1 3.67Å; I104-Y108 HydrophobicContact CG2-CE2 3.45Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.45Å; I104-Y108 HydrophobicContact CG2-CG 4.31Å; I104-Y108 PolarHBondContact O-N 3.47Å
105	A	96.8	Very high	96.4	Very high	6 Å²	6	70.3 Å²	70.3	5%	0.05	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-44.6	-179.7	0	0	0	0	0	111.5	S101 L102 R107 Y108 Y109 Y142	S101-A105 WeakPolarHBondContact O-CB 3.36Å; S101-A105 PolarHBondContact O-N 2.85Å; L102-A105 PolarHBondContact O-N 3.19Å; A105-R107 PolarHBondContact O-N 3.48Å; A105-Y108 PolarHBondContact O-N 3.03Å; A105-Y108 VanDerWaalsContact O-N 3.08Å; A105-Y109 HydrophobicContact CB-CD2 4.49Å; A105-Y109 VanDerWaalsContact O-CD2 3.29Å; A105-Y109 WeakPolarHBondContact O-CD2 3.17Å; A105-Y109 PolarHBondContact O-N 2.83Å; A105-Y142 HydrophobicContact CB-CD2 4.08Å; A105-Y142 HydrophobicContact CB-CE1 4.13Å; A105-Y142 HydrophobicContact CB-CE2 3.6Å
106	L	96.7	Very high	96.4	Very high	30 Å²	30	73 Å²	73	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-49.2	-44.9	172.8	-77.6	174.7	0	0	0	112.4	L102 I104 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 2.91Å; L102-L106 VanDerWaalsContact O-N 3.08Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.12Å; L106-N110 WeakPolarHBondContact O-CA 3.34Å; L106-N110 PolarHBondContact O-N 2.9Å; L106-Q111 HydrophobicContact CD2-CB 3.65Å; L106-Q111 PolarHBondContact O-N 3.35Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.39Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.47Å
107	R	96.7	Very high	96.5	Very high	165 Å²	165	69 Å²	69	62%	0.623	36%	0.36	S	S	*	.	H	α-helix	trans	-71.3	-42	179	-67.6	-172.6	-66.5	-119.7	1.2	112.6	I104 A105 Y109 N110	I104-R107 WeakPolarHBondContact O-CB 3.4Å; I104-R107 PolarHBondContact O-N 2.93Å; A105-R107 PolarHBondContact O-N 3.48Å; R107-Y109 VanDerWaalsContact C-N 3.26Å; R107-Y109 PolarHBondContact O-N 3.28Å; R107-N110 PolarHBondContact O-N 3.41Å
108	Y	97.2	Very high	96.5	Very high	53 Å²	53	66.9 Å²	66.9	21%	0.208	35%	0.346	C	S	.	.	H	α-helix	trans	-62.5	-36.4	179.4	-69.1	-7.7	0	0	0	112.3	I104 A105 A163 I166 K170	I104-Y108 HydrophobicContact CG2-CD1 4.17Å; I104-Y108 HydrophobicContact CG2-CD2 3.98Å; I104-Y108 HydrophobicContact CG2-CE1 3.67Å; I104-Y108 HydrophobicContact CG2-CE2 3.45Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.45Å; I104-Y108 HydrophobicContact CG2-CG 4.31Å; I104-Y108 PolarHBondContact O-N 3.47Å; A105-Y108 PolarHBondContact O-N 3.03Å; A105-Y108 VanDerWaalsContact O-N 3.08Å; Y108-A163 HydrophobicContact CD2-CB 4.4Å; Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CE1-CD1 4.27Å; Y108-I166 HydrophobicContact CE1-CG2 4.09Å; Y108-I166 HydrophobicContact CE2-CB 4.12Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.25Å; Y108-K170 PolarHBondContact OH-NZ 3.33Å
109	Y	97.4	Very high	96.6	Very high	63 Å²	63	67.4 Å²	67.4	25%	0.247	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.8	-179.8	-68.7	-71.4	0	0	0	114.2	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 HydrophobicContact CB-CD2 4.49Å; A105-Y109 VanDerWaalsContact O-CD2 3.29Å; A105-Y109 WeakPolarHBondContact O-CD2 3.17Å; A105-Y109 PolarHBondContact O-N 2.83Å; R107-Y109 VanDerWaalsContact C-N 3.26Å; R107-Y109 PolarHBondContact O-N 3.28Å; Y109-Q111 PolarHBondContact O-N 3.38Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.42Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.46Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.33Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact OH-CG 3.26Å; Y109-D161 PolarHBondContact OH-OD1 3.19Å; Y109-D161 PolarHBondContact OH-OD2 3.31Å; Y109-A163 HydrophobicContact CD1-CB 4.22Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96.6	Very high	96.7	Very high	151 Å²	151	68 Å²	68	81%	0.807	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	41.5	-175.8	-56.9	-59.6	0	0	0	113.1	L106 R107	L106-N110 WeakPolarHBondContact O-CA 3.34Å; L106-N110 PolarHBondContact O-N 2.9Å; R107-N110 PolarHBondContact O-N 3.41Å
111	Q	96.9	Very high	96.7	Very high	62 Å²	62	63 Å²	63	29%	0.29	33%	0.332	S	S	.	.			trans	-89.9	155.9	-177.9	-70.7	170.2	-35.7	0	0	111.9	L106 Y109 H117 Y142 D143	L106-Q111 HydrophobicContact CD2-CB 3.65Å; L106-Q111 PolarHBondContact O-N 3.35Å; Y109-Q111 PolarHBondContact O-N 3.38Å; Q111-H117 PolarHBondContact NE2-CE1 3.42Å; Q111-H117 PolarHBondContact OE1-CE1 2.86Å; Q111-Y142 PolarHBondContact OE1-OH 3.07Å; Q111-D143 PolarHBondContact NE2-OD2 3.01Å
112	S	94.7	Very high	96.8	Very high	82 Å²	82	61.9 Å²	61.9	57%	0.573	32%	0.322	S	S	*	.			trans	-77.1	142.7	177.9	175.5	0	0	0	0	111.9	A114 G115	S112-A114 PolarHBondContact O-N 3.45Å; S112-A114 PolarHBondContact OG-N 2.93Å; S112-G115 PolarHBondContact O-N 3.03Å
113	E	93.1	Very high	96.8	Very high	166 Å²	166	63.2 Å²	63.2	78%	0.776	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.4	174.4	-61.6	-172.9	171	0	0	113.6	P39 G115	P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.36Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114	A	93.8	Very high	96.9	Very high	81 Å²	81	57.5 Å²	57.5	67%	0.669	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-17	177.2	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 3.45Å; S112-A114 PolarHBondContact OG-N 2.93Å
115	G	94.1	Very high	97	Very high	26 Å²	26	55.9 Å²	55.9	27%	0.268	30%	0.296	S	S	.	.	S	Bend	trans	-78.1	142.2	-179.6	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.47Å; S112-G115 PolarHBondContact O-N 3.03Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-H117 PolarHBondContact O-CD2 2.99Å; G115-H117 VanDerWaalsContact O-CD2 3.23Å
116	S	97.4	Very high	97.1	Very high	75 Å²	75	56.9 Å²	56.9	52%	0.524	30%	0.301	S	S	.	.			trans	-83.6	133.6	165.1	-179.8	0	0	0	0	108.7	S37	S37-S116 WeakPolarHBondContact O-CB 3.35Å; S37-S116 PolarHBondContact O-OG 3.39Å
117	H	98.3	Very high	97.1	Very high	17 Å²	17	55.5 Å²	55.5	8%	0.079	29%	0.294	C	S	.	.			trans	-133.7	152.6	-175.6	-66.5	-77.3	0	0	0	110.1	S37 L102 L106 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.89Å; S37-H117 PolarHBondContact OG-N 2.61Å; S37-H117 PolarHBondContact OG-O 3.3Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.39Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.47Å; Q111-H117 PolarHBondContact NE2-CE1 3.42Å; Q111-H117 PolarHBondContact OE1-CE1 2.86Å; G115-H117 PolarHBondContact O-CD2 2.99Å; G115-H117 VanDerWaalsContact O-CD2 3.23Å; H117-Y142 HydrophobicContact CB-CE2 3.97Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 3.24Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 WeakPolarHBondContact CB-OD1 3.45Å; H117-D143 IonicContact CE1-OD2 3.87Å; H117-D143 IonicContact CG-OD1 3.34Å; H117-D143 IonicContact CG-OD2 3.55Å; H117-D143 IonicContact ND1-OD1 2.91Å; H117-D143 PolarHBondContact ND1-OD1 3.36Å; H117-D143 IonicContact ND1-OD2 3.54Å; H117-D143 PolarHBondContact ND1-OD2 2.94Å
118	T	98.6	Very high	97	Very high	33 Å²	33	47.8 Å²	47.8	20%	0.202	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.8	-174.9	-52.6	0	0	0	0	110.9	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.02Å; S35-T118 CarbonylContact O-C 3.58Å; S35-T118 VanDerWaalsContact O-CA 3.3Å; S35-T118 WeakPolarHBondContact O-CA 3.45Å; V36-T118 HydrophobicContact CG2-CG2 4.14Å; T118-Q120 HydrophobicContact CG2-CG 3.87Å; T118-Y142 CarbonylContact O-C 3.51Å; T118-Y142 WeakPolarHBondContact O-CA 3.48Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.26Å; T118-D143 PolarHBondContact N-OD1 2.89Å; T118-D143 PolarHBondContact O-N 3.2Å
119	I	98.6	Very high	96.7	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.082	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.7	162.4	-70.1	176.4	0	0	0	107.6	T34 S35 L102 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.45Å; S35-I119 PolarHBondContact N-O 2.93Å; S35-I119 PolarHBondContact O-N 3.43Å; L102-I119 HydrophobicContact CB-CD1 4.41Å; L102-I119 HydrophobicContact CD2-CB 4.46Å; L102-I119 HydrophobicContact CD2-CD1 3.93Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.78Å; L102-I119 HydrophobicContact CG-CG1 4.12Å; I119-A141 WeakPolarHBondContact CA-O 3.46Å; I119-Y142 HydrophobicContact CG1-CD2 3.7Å; I119-Y142 HydrophobicContact CG1-CE2 4.2Å
120	Q	98.8	Very high	96.4	Very high	80 Å²	80	51.8 Å²	51.8	37%	0.374	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.7	172.4	-59.7	174.4	-93.4	0	0	108.6	F33 T34 T118 D140 A141	F33-Q120 WeakPolarHBondContact O-CA 3.33Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å; T118-Q120 HydrophobicContact CG2-CG 3.87Å; Q120-D140 CarbonylContact O-C 3.54Å; Q120-D140 VanDerWaalsContact O-CA 3.29Å; Q120-D140 WeakPolarHBondContact O-CA 3.48Å; Q120-A141 HydrophobicContact CB-CB 4.37Å; Q120-A141 PolarHBondContact N-O 3.37Å; Q120-A141 PolarHBondContact O-N 2.73Å
121	M	98.3	Very high	96.1	Very high	15 Å²	15	45.2 Å²	45.2	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.9	172.8	175.2	-174.2	-77.5	0	0	108.9	F32 F33 H94 Y123 Q138 Q139 D140	F32-M121 CarbonylContact C-O 3.46Å; F32-M121 WeakPolarHBondContact CA-O 3.3Å; F33-M121 HydrophobicContact CB-CB 4.36Å; F33-M121 HydrophobicContact CD2-SD 4.35Å; F33-M121 PolarHBondContact N-O 3.01Å; F33-M121 PolarHBondContact O-N 3.49Å; H94-M121 PolarHBondContact CE1-SD 3.49Å; M121-Y123 HydrophobicContact CG-CD1 4.21Å; M121-Y123 HydrophobicContact SD-CD1 3.91Å; M121-Y123 HydrophobicContact SD-CE1 4.42Å; M121-Q138 PolarHBondContact SD-NE2 2.83Å; M121-Q139 CarbonylContact C-O 3.55Å; M121-Q139 WeakPolarHBondContact CA-O 3.36Å; M121-D140 WeakPolarHBondContact CE-OD1 3.38Å
122	M	98.6	Very high	96	Very high	18 Å²	18	50.5 Å²	50.5	9%	0.089	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.1	166	-176.9	-78.9	-72.6	0	0	109.2	Y31 F32 Y137 Q138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.41Å; F32-M122 HydrophobicContact CD1-CB 3.9Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.05Å; F32-M122 HydrophobicContact CE1-CG 3.33Å; F32-M122 HydrophobicContact CG-CG 4.43Å; F32-M122 HydrophobicContact CZ-CG 3.95Å; M122-Y137 HydrophobicContact CE-CD1 4.07Å; M122-Y137 HydrophobicContact CE-CG 4.19Å; M122-Q138 CarbonylContact O-C 3.58Å; M122-Q138 WeakPolarHBondContact O-CA 3.35Å; M122-Q139 HydrophobicContact CB-CG 3.96Å; M122-Q139 HydrophobicContact CE-CG 3.7Å; M122-Q139 PolarHBondContact N-O 2.8Å; M122-Q139 PolarHBondContact O-N 3.09Å
123	Y	98.5	Very high	96.1	Very high	34 Å²	34	49 Å²	49	13%	0.133	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.7	173.2	73	-85.5	0	0	0	111.5	R30 Y31 F33 M121 Y137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.38Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.47Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.74Å; Y31-Y123 HydrophobicContact CD2-CE2 3.74Å; Y31-Y123 AromaticContact CD2-CZ 3.82Å; Y31-Y123 HydrophobicContact CG-CE1 4.21Å; Y31-Y123 HydrophobicContact CG-CE2 4.14Å; Y31-Y123 AromaticContact CG-CZ 3.73Å; Y31-Y123 PolarHBondContact N-O 3.43Å; Y31-Y123 PolarHBondContact O-N 2.91Å; Y31-Y123 VanDerWaalsContact O-N 3.07Å; F33-Y123 HydrophobicContact CD2-CE1 4.1Å; F33-Y123 HydrophobicContact CE1-CE1 4.11Å; F33-Y123 AromaticContact CE2-CE1 3.56Å; F33-Y123 HydrophobicContact CE2-CE1 3.56Å; F33-Y123 AromaticContact CZ-CE1 3.57Å; F33-Y123 HydrophobicContact CZ-CE1 3.57Å; F33-Y123 AromaticContact CZ-CZ 3.91Å; F33-Y123 VanDerWaalsContact CZ-OH 3.3Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.02Å; M121-Y123 HydrophobicContact CG-CD1 4.21Å; M121-Y123 HydrophobicContact SD-CD1 3.91Å; M121-Y123 HydrophobicContact SD-CE1 4.42Å; Y123-Y137 VanDerWaalsContact CA-O 3.22Å; Y123-Y137 WeakPolarHBondContact CA-O 3.5Å; Y123-Y137 WeakPolarHBondContact CB-O 3.17Å; Y123-Y183 AromaticContact CD2-CE1 3.94Å; Y123-Y183 HydrophobicContact CD2-CE1 3.94Å; Y123-Y183 AromaticContact CE2-CE1 3.87Å; Y123-Y183 HydrophobicContact CE2-CE1 3.87Å
124	G	98.5	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.8	-174.6	-178.2	0	0	0	0	0	113.7	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.31Å; G124-G136 CarbonylContact O-C 3.58Å; G124-Y137 PolarHBondContact N-O 2.72Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 2.79Å; G124-L184 WeakPolarHBondContact O-CD2 3.48Å
125	C	98.5	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.5	-175.7	54.9	0	0	0	0	111.3	S28 M29 L133 R135 C188 L192	S28-C125 WeakPolarHBondContact CA-O 3.38Å; M29-C125 PolarHBondContact N-O 2.92Å; M29-C125 PolarHBondContact O-N 2.93Å; C125-L133 HydrophobicContact CB-CD1 3.6Å; C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.46Å; C125-C188 HydrophobicContact CB-CB 3.95Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 3.08Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.5Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.49Å; C125-L192 WeakPolarHBondContact O-CD1 3.21Å
126	D	98.2	Very high	96.7	Very high	28 Å²	28	46.2 Å²	46.2	15%	0.15	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.8	171.7	-61.9	-3.1	0	0	0	108.6	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.46Å; H27-D126 WeakPolarHBondContact O-CA 3.35Å; S28-D126 WeakPolarHBondContact CB-OD1 3.45Å; R30-D126 IonicContact CZ-OD1 3.47Å; R30-D126 VanDerWaalsContact CZ-OD1 3.31Å; R30-D126 IonicContact NE-OD1 4Å; R30-D126 PolarHBondContact NE-OD1 3.5Å; R30-D126 IonicContact NH2-OD1 3.64Å; R30-D126 PolarHBondContact NH2-OD1 3.31Å; R30-D126 IonicContact NH2-OD2 3.75Å; R30-D126 PolarHBondContact NH2-OD2 3.4Å; D126-L134 HydrophobicContact CB-CB 4.44Å; D126-L134 PolarHBondContact O-N 2.84Å; D126-R135 PolarHBondContact N-O 2.83Å; D126-R135 PolarHBondContact O-N 2.97Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.28Å; D126-Y137 PolarHBondContact OD2-OH 2.84Å; D126-Y137 VanDerWaalsContact OD2-OH 3.09Å
127	V	97.1	Very high	96.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.4	176.5	-61.2	0	0	0	0	111	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.52Å; S26-V127 VanDerWaalsContact CA-O 3.24Å; S26-V127 WeakPolarHBondContact CA-O 3.4Å; S26-V127 WeakPolarHBondContact CB-O 3.44Å; H27-V127 HydrophobicContact CB-CG2 4.08Å; H27-V127 PolarHBondContact N-O 3.37Å; H27-V127 PolarHBondContact O-N 2.94Å; V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.38Å; V127-R132 WeakPolarHBondContact CB-O 3.45Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; V127-L192 HydrophobicContact CG1-CD1 4.02Å; V127-L192 HydrophobicContact CG1-CD2 4.37Å; V127-L192 HydrophobicContact CG2-CD1 3.98Å; V127-L192 HydrophobicContact CG2-CD2 3.37Å; V127-L192 HydrophobicContact CG2-CG 4.35Å
128	G	94.4	Very high	96.7	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.031	22%	0.22	C	C	.	.			trans	-81.6	-179.2	173.6	0	0	0	0	0	112.3	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.59Å; G128-D130 PolarHBondContact O-N 3.32Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.5Å; G128-G131 PolarHBondContact O-N 3.42Å; G128-R132 PolarHBondContact N-O 3.48Å
129	P	90.9	Very high	96.7	Very high	103 Å²	103	46.8 Å²	46.8	67%	0.669	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.5	177.2	-22.6	31.8	0	0	0	114.3	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.39Å; G25-P129 WeakPolarHBondContact O-CG 3.44Å; G25-P129 VanDerWaalsContact O-N 3.13Å; P129-G131 PolarHBondContact O-N 3.34Å
130	D	90.3	Very high	96.7	Very high	97 Å²	97	47 Å²	47	52%	0.519	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	3.4	173.9	69.7	-10.2	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.32Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.32Å; D130-R132 WeakPolarHBondContact OD1-CB 3.41Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.17Å; D130-R132 WeakPolarHBondContact OD2-CG 3.33Å; D130-R132 IonicContact OD2-CZ 2.81Å; D130-R132 IonicContact OD2-NE 2.65Å; D130-R132 IonicContact OD2-NH1 3.7Å
131	G	90.9	Very high	96.7	Very high	13 Å²	13	44 Å²	44	13%	0.134	22%	0.219	C	C	.	.	S	Bend	trans	72.8	3.8	-177.7	0	0	0	0	0	114.2	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.5Å; G128-G131 PolarHBondContact O-N 3.42Å; P129-G131 PolarHBondContact O-N 3.34Å; G131-V189 WeakPolarHBondContact O-CG1 3.34Å; G131-R193 VanDerWaalsContact C-NH2 3.31Å; G131-R193 PolarHBondContact O-NE 2.98Å; G131-R193 PolarHBondContact O-NH2 3.44Å
132	R	94.9	Very high	96.7	Very high	172 Å²	172	44 Å²	44	65%	0.649	22%	0.218	S	C	*	.			trans	-80.8	149.9	-179	-63.3	-174.8	-176.7	163.2	-3.1	111.2	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.38Å; V127-R132 WeakPolarHBondContact CB-O 3.45Å; G128-R132 PolarHBondContact N-O 3.48Å; D130-R132 PolarHBondContact O-N 3.32Å; D130-R132 WeakPolarHBondContact OD1-CB 3.41Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.17Å; D130-R132 WeakPolarHBondContact OD2-CG 3.33Å; D130-R132 IonicContact OD2-CZ 2.81Å; D130-R132 IonicContact OD2-NE 2.65Å; D130-R132 IonicContact OD2-NH1 3.7Å; R132-L134 PolarHBondContact O-N 2.78Å
133	L	97.3	Very high	96.7	Very high	51 Å²	51	46 Å²	46	27%	0.267	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	124	175.3	-175	72.6	0	0	0	110.1	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.6Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; L133-L154 HydrophobicContact CD2-CD1 4.15Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 3.86Å
134	L	97.1	Very high	96.7	Very high	114 Å²	114	47.1 Å²	47.1	60%	0.597	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	-45.3	167.2	-65.4	178	0	0	0	110.5	D126 R132	D126-L134 HydrophobicContact CB-CB 4.44Å; D126-L134 PolarHBondContact O-N 2.84Å; R132-L134 PolarHBondContact O-N 2.78Å
135	R	97.3	Very high	96.7	Very high	96 Å²	96	54.8 Å²	54.8	36%	0.362	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141.3	-176	-172.6	160.6	169.1	147	10.4	112	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.46Å; D126-R135 PolarHBondContact N-O 2.83Å; D126-R135 PolarHBondContact O-N 2.97Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; R135-Y137 HydrophobicContact CB-CE2 3.93Å; R135-Y137 VanDerWaalsContact CD-CZ 3.42Å; R135-Y137 WeakPolarHBondContact CD-OH 3.24Å; R135-Y137 HydrophobicContact CG-CD2 4.28Å; R135-Y137 HydrophobicContact CG-CE1 4.11Å; R135-Y137 HydrophobicContact CG-CE2 3.62Å; R135-Y137 PolarHBondContact NE-OH 2.94Å; R135-E152 VanDerWaalsContact CZ-CD 3.41Å; R135-E152 VanDerWaalsContact CZ-CG 3.43Å; R135-E152 IonicContact CZ-OE1 2.69Å; R135-E152 IonicContact NH1-OE1 3.34Å; R135-E152 PolarHBondContact NH1-OE1 2.83Å; R135-E152 IonicContact NH1-OE2 3.49Å; R135-E152 IonicContact NH2-OE1 3.06Å; R135-E152 PolarHBondContact NH2-OE1 3.32Å
136	G	98.1	Very high	96.7	Very high	5 Å²	5	60.9 Å²	60.9	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	152.2	169.4	0	0	0	0	0	111.1	G124	G124-G136 CarbonylContact O-C 3.58Å
137	Y	98.3	Very high	96.7	Very high	40 Å²	40	60.8 Å²	60.8	16%	0.157	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.8	-177.6	-59.3	-94.5	0	0	0	110.7	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 2.77Å; M122-Y137 HydrophobicContact CE-CD1 4.07Å; M122-Y137 HydrophobicContact CE-CG 4.19Å; Y123-Y137 VanDerWaalsContact CA-O 3.22Å; Y123-Y137 WeakPolarHBondContact CA-O 3.5Å; Y123-Y137 WeakPolarHBondContact CB-O 3.17Å; G124-Y137 PolarHBondContact N-O 2.72Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 2.79Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.28Å; D126-Y137 PolarHBondContact OD2-OH 2.84Å; D126-Y137 VanDerWaalsContact OD2-OH 3.09Å; R135-Y137 HydrophobicContact CB-CE2 3.93Å; R135-Y137 VanDerWaalsContact CD-CZ 3.42Å; R135-Y137 WeakPolarHBondContact CD-OH 3.24Å; R135-Y137 HydrophobicContact CG-CD2 4.28Å; R135-Y137 HydrophobicContact CG-CE1 4.11Å; R135-Y137 HydrophobicContact CG-CE2 3.62Å; R135-Y137 PolarHBondContact NE-OH 2.94Å
138	Q	98.3	Very high	96.8	Very high	14 Å²	14	60.9 Å²	60.9	7%	0.065	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	115.8	161.9	174.9	83.1	1.5	0	0	106.1	M121 M122 L150 W157 L180	M121-Q138 PolarHBondContact SD-NE2 2.83Å; M122-Q138 CarbonylContact O-C 3.58Å; M122-Q138 WeakPolarHBondContact O-CA 3.35Å; Q138-L150 HydrophobicContact CB-CB 3.83Å; Q138-L150 HydrophobicContact CB-CD2 4.16Å; Q138-L150 PolarHBondContact O-N 2.85Å; Q138-W157 HydrophobicContact CG-CH2 4.3Å; Q138-W157 HydrophobicContact CG-CZ3 4.3Å; Q138-L180 HydrophobicContact CB-CD1 4.18Å; Q138-L180 HydrophobicContact CG-CD1 3.77Å; Q138-L180 HydrophobicContact CG-CD2 4.49Å
139	Q	98.3	Very high	97	Very high	83 Å²	83	62.2 Å²	62.2	39%	0.388	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	137.9	178.6	59.9	-174	60	0	0	111	M121 M122 A149	M121-Q139 CarbonylContact C-O 3.55Å; M121-Q139 WeakPolarHBondContact CA-O 3.36Å; M122-Q139 HydrophobicContact CB-CG 3.96Å; M122-Q139 HydrophobicContact CE-CG 3.7Å; M122-Q139 PolarHBondContact N-O 2.8Å; M122-Q139 PolarHBondContact O-N 3.09Å; Q139-A149 HydrophobicContact CB-CB 4.04Å
140	D	98.4	Very high	97.3	Very high	21 Å²	21	58 Å²	58	11%	0.112	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.7	-177.1	-59.1	19.5	0	0	0	108.7	Q120 M121 Y147 I148	Q120-D140 CarbonylContact O-C 3.54Å; Q120-D140 VanDerWaalsContact O-CA 3.29Å; Q120-D140 WeakPolarHBondContact O-CA 3.48Å; M121-D140 WeakPolarHBondContact CE-OD1 3.38Å; D140-Y147 HydrophobicContact CB-CD1 4.49Å; D140-Y147 WeakPolarHBondContact O-CA 3.34Å; D140-Y147 WeakPolarHBondContact O-CB 3.46Å; D140-Y147 PolarHBondContact O-N 3.3Å; D140-I148 HydrophobicContact CB-CG2 4.08Å; D140-I148 PolarHBondContact N-O 2.85Å; D140-I148 PolarHBondContact O-N 2.87Å
141	A	98.8	Very high	97.7	Very high	17 Å²	17	55.4 Å²	55.4	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.8	176.3	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.46Å; Q120-A141 HydrophobicContact CB-CB 4.37Å; Q120-A141 PolarHBondContact N-O 3.37Å; Q120-A141 PolarHBondContact O-N 2.73Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.05Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.28Å
142	Y	98.6	Very high	98.1	Very high	15 Å²	15	61.2 Å²	61.2	6%	0.059	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.5	177	-175.2	-116.3	0	0	0	110.2	L102 A105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.28Å; A105-Y142 HydrophobicContact CB-CD2 4.08Å; A105-Y142 HydrophobicContact CB-CE1 4.13Å; A105-Y142 HydrophobicContact CB-CE2 3.6Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.42Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Q111-Y142 PolarHBondContact OE1-OH 3.07Å; H117-Y142 HydrophobicContact CB-CE2 3.97Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 3.24Å; T118-Y142 CarbonylContact O-C 3.51Å; T118-Y142 WeakPolarHBondContact O-CA 3.48Å; T118-Y142 VanDerWaalsContact O-CD2 3.31Å; T118-Y142 WeakPolarHBondContact O-CD2 3.26Å; I119-Y142 HydrophobicContact CG1-CD2 3.7Å; I119-Y142 HydrophobicContact CG1-CE2 4.2Å; Y142-G144 PolarHBondContact O-N 3.24Å; Y142-K145 PolarHBondContact N-O 3.14Å; Y142-K145 PolarHBondContact O-N 3.12Å
143	D	98.2	Very high	98.2	Very high	58 Å²	58	56.8 Å²	56.8	31%	0.31	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.3	-175.9	-67.3	-22.3	0	0	0	113.4	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.01Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 WeakPolarHBondContact CB-OD1 3.45Å; H117-D143 IonicContact CE1-OD2 3.87Å; H117-D143 IonicContact CG-OD1 3.34Å; H117-D143 IonicContact CG-OD2 3.55Å; H117-D143 IonicContact ND1-OD1 2.91Å; H117-D143 PolarHBondContact ND1-OD1 3.36Å; H117-D143 IonicContact ND1-OD2 3.54Å; H117-D143 PolarHBondContact ND1-OD2 2.94Å; T118-D143 PolarHBondContact N-OD1 2.89Å; T118-D143 PolarHBondContact O-N 3.2Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.35Å
144	G	97.5	Very high	98.2	Very high	59 Å²	59	54.8 Å²	54.8	61%	0.608	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	10.3	178.4	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 3.24Å
145	K	98.4	Very high	98.3	Very high	161 Å²	161	57 Å²	57	70%	0.7	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.9	175.7	-61	179.5	-175.8	176.4	0	110.4	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.05Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.28Å; Y142-K145 PolarHBondContact N-O 3.14Å; Y142-K145 PolarHBondContact O-N 3.12Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.35Å; K145-Y147 PolarHBondContact O-N 2.86Å
146	D	98.6	Very high	98.3	Very high	128 Å²	128	54.4 Å²	54.4	68%	0.684	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	135.8	173.4	-64.6	-27.6	0	0	0	110.4	A160	D146-A160 HydrophobicContact CB-CB 4.36Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å
147	Y	98.7	Very high	98.3	Very high	25 Å²	25	54.7 Å²	54.7	10%	0.098	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-62.6	-179.7	179.2	-111.5	0	0	0	110.6	Y109 D140 K145 A160 A163 A164 T167	Y109-Y147 HydrophobicContact CE2-CD2 4.46Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.33Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.22Å; D140-Y147 HydrophobicContact CB-CD1 4.49Å; D140-Y147 WeakPolarHBondContact O-CA 3.34Å; D140-Y147 WeakPolarHBondContact O-CB 3.46Å; D140-Y147 PolarHBondContact O-N 3.3Å; K145-Y147 PolarHBondContact O-N 2.86Å; Y147-A160 WeakPolarHBondContact O-CB 3.5Å; Y147-A160 PolarHBondContact O-N 3.18Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 HydrophobicContact CE2-CB 3.73Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; Y147-T167 HydrophobicContact CE1-CG2 4.27Å; Y147-T167 PolarHBondContact OH-OG1 3.34Å
148	I	98.7	Very high	98.4	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141.2	177.6	-163.4	171.8	0	0	0	110.5	D140 W157 T158 T167 Q168 W171	D140-I148 HydrophobicContact CB-CG2 4.08Å; D140-I148 PolarHBondContact N-O 2.85Å; D140-I148 PolarHBondContact O-N 2.87Å; I148-W157 HydrophobicContact CD1-CB 4.3Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.13Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 3.98Å; I148-T158 WeakPolarHBondContact CA-O 3.36Å; I148-T167 HydrophobicContact CD1-CG2 4.35Å; I148-Q168 HydrophobicContact CD1-CB 3.89Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.82Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	57 Å²	57	26%	0.256	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.6	178.5	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 4.04Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.27Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 2.61Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.9	169	-175.8	67.7	0	0	0	108.6	Q138 L154 W157 A177 L180 L184	Q138-L150 HydrophobicContact CB-CB 3.83Å; Q138-L150 HydrophobicContact CB-CD2 4.16Å; Q138-L150 PolarHBondContact O-N 2.85Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.21Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-A177 HydrophobicContact CD1-CB 3.94Å; L150-L180 HydrophobicContact CD2-CB 4.26Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å
151	N	98.6	Very high	98.4	Very high	43 Å²	43	57.5 Å²	57.5	23%	0.23	32%	0.318	C	S	.	.			trans	-72	163	-179.8	-67	-28.1	0	0	0	111.3	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 3.22Å; N151-L154 PolarHBondContact O-N 3.21Å; N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.37Å; N151-S156 PolarHBondContact N-O 2.8Å; N151-S156 PolarHBondContact ND2-OG 2.85Å; N151-W157 PolarHBondContact ND2-N 2.94Å; N151-T158 WeakPolarHBondContact OD1-CB 3.13Å; N151-T158 PolarHBondContact OD1-OG1 2.84Å
152	E	97.7	Very high	98.3	Very high	136 Å²	136	63 Å²	63	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.6	-179.3	-66.7	179.5	-163	0	0	113.8	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.41Å; R135-E152 VanDerWaalsContact CZ-CG 3.43Å; R135-E152 IonicContact CZ-OE1 2.69Å; R135-E152 IonicContact NH1-OE1 3.34Å; R135-E152 PolarHBondContact NH1-OE1 2.83Å; R135-E152 IonicContact NH1-OE2 3.49Å; R135-E152 IonicContact NH2-OE1 3.06Å; R135-E152 PolarHBondContact NH2-OE1 3.32Å; E152-L154 PolarHBondContact O-N 2.91Å
153	D	97.6	Very high	98.3	Very high	78 Å²	78	62.7 Å²	62.7	42%	0.417	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.4	174.9	69.6	4.8	0	0	0	113.8	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.22Å; D153-R155 WeakPolarHBondContact O-CG 3.41Å; D153-R155 PolarHBondContact O-N 3.03Å; D153-R155 PolarHBondContact OD1-N 3Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.4Å; D153-S156 PolarHBondContact OD1-OG 3.34Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.37Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
154	L	98.2	Very high	98.3	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.047	33%	0.328	C	S	.	.	S	Bend	trans	53.8	28	-175.4	-53.8	-179.2	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.15Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 PolarHBondContact O-N 3.21Å; E152-L154 PolarHBondContact O-N 2.91Å; L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.82Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L154-E185 HydrophobicContact CD1-CG 4.14Å
155	R	97.8	Very high	98.3	Very high	162 Å²	162	59.9 Å²	59.9	61%	0.611	31%	0.312	S	S	*	.	S	Bend	trans	-135.3	-33.4	-173.8	-70.8	170.3	-176.8	-91.2	16.1	112.8	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.41Å; D153-R155 PolarHBondContact O-N 3.03Å; D153-R155 PolarHBondContact OD1-N 3Å; R155-A177 WeakPolarHBondContact O-CB 3.3Å
156	S	98.1	Very high	98.3	Very high	41 Å²	41	55.1 Å²	55.1	29%	0.287	29%	0.294	S	S	.	.			trans	-114.1	163.7	-177	63.8	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.37Å; N151-S156 PolarHBondContact N-O 2.8Å; N151-S156 PolarHBondContact ND2-OG 2.85Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.4Å; D153-S156 PolarHBondContact OD1-OG 3.34Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.37Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
157	W	98.8	Very high	98.3	Very high	11 Å²	11	49.8 Å²	49.8	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.6	-176.1	-61.9	94.4	0	0	0	111	Q138 I148 A149 L150 N151 Q168 W171 V176 A177 L180	Q138-W157 HydrophobicContact CG-CH2 4.3Å; Q138-W157 HydrophobicContact CG-CZ3 4.3Å; I148-W157 HydrophobicContact CD1-CB 4.3Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.13Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 3.98Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.27Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.21Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; N151-W157 PolarHBondContact ND2-N 2.94Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 2.99Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.88Å; W157-W171 HydrophobicContact CE3-CE3 3.88Å; W157-W171 AromaticContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CH2-CD2 4.43Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.28Å; W157-W171 HydrophobicContact CH2-CZ3 3.28Å; W157-W171 HydrophobicContact CZ2-CD2 4.38Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-V176 HydrophobicContact CH2-CG1 4.47Å; W157-V176 HydrophobicContact CZ2-CB 4.28Å; W157-V176 HydrophobicContact CZ2-CG1 4.07Å; W157-A177 HydrophobicContact CZ2-CB 4.19Å; W157-L180 HydrophobicContact CH2-CD1 3.4Å; W157-L180 VanDerWaalsContact CH2-CD1 3.4Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å
158	T	98.7	Very high	98.3	Very high	78 Å²	78	50.4 Å²	50.4	48%	0.479	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.8	165.4	-66.2	0	0	0	0	108.8	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.36Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 2.61Å; N151-T158 WeakPolarHBondContact OD1-CB 3.13Å; N151-T158 PolarHBondContact OD1-OG1 2.84Å
159	A	98.6	Very high	98.3	Very high	24 Å²	24	57.3 Å²	57.3	20%	0.198	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.6	175.4	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.76Å; A159-Q165 HydrophobicContact CB-CG 3.98Å; A159-Q168 HydrophobicContact CB-CB 4.41Å
160	A	98.4	Very high	98.2	Very high	60 Å²	60	61.4 Å²	61.4	50%	0.496	31%	0.307	S	S	.	.	S	Bend	trans	-75.5	-30.4	-176.1	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.36Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 WeakPolarHBondContact O-CB 3.5Å; Y147-A160 PolarHBondContact O-N 3.18Å
161	D	98.1	Very high	98.2	Very high	55 Å²	55	63.5 Å²	63.5	29%	0.294	31%	0.314	S	S	.	.	S	Bend	trans	-150.3	-176.4	-178.1	68.6	28.3	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact OH-CG 3.26Å; Y109-D161 PolarHBondContact OH-OD1 3.19Å; Y109-D161 PolarHBondContact OH-OD2 3.31Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.84Å; D161-A163 WeakPolarHBondContact OD1-CA 3.39Å; D161-A163 WeakPolarHBondContact OD1-CB 2.99Å; D161-A163 PolarHBondContact OD1-N 2.96Å; D161-A164 PolarHBondContact O-N 3.03Å; D161-A164 PolarHBondContact OD1-N 3.36Å; D161-Q165 WeakPolarHBondContact O-CG 3.33Å; D161-Q165 PolarHBondContact O-N 3.43Å
162	M	97.8	Very high	98.2	Very high	131 Å²	131	65.8 Å²	65.8	65%	0.645	32%	0.324	S	S	*	.	H	α-helix	trans	-64.8	-29.1	-179.1	-65.7	-57.6	-58.6	0	0	113.8	Q165	M162-Q165 PolarHBondContact SD-OE1 2.89Å
163	A	97.6	Very high	98.2	Very high	9 Å²	9	63.5 Å²	63.5	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-73.6	-44	176.2	0	0	0	0	0	110.2	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.4Å; Y109-A163 HydrophobicContact CD1-CB 4.22Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.84Å; D161-A163 WeakPolarHBondContact OD1-CA 3.39Å; D161-A163 WeakPolarHBondContact OD1-CB 2.99Å; D161-A163 PolarHBondContact OD1-N 2.96Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.95Å; A163-I166 VanDerWaalsContact O-CB 3.3Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 3.48Å
164	A	98.2	Very high	98.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-35.1	174.1	0	0	0	0	0	112.7	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 HydrophobicContact CE2-CB 3.73Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.37Å; A159-A164 HydrophobicContact CB-CB 3.76Å; D161-A164 PolarHBondContact O-N 3.03Å; D161-A164 PolarHBondContact OD1-N 3.36Å; A164-I166 PolarHBondContact O-N 3.3Å; A164-T167 WeakPolarHBondContact O-CA 3.16Å; A164-T167 WeakPolarHBondContact O-CB 3.3Å; A164-T167 PolarHBondContact O-N 2.88Å; A164-Q168 PolarHBondContact O-N 2.88Å
165	Q	98.6	Very high	98.2	Very high	58 Å²	58	69.6 Å²	69.6	27%	0.271	36%	0.357	S	S	.	.	H	α-helix	trans	-59.7	-29.1	173.9	-74.5	176.6	17.9	0	0	113.3	A159 D161 M162 A163 T167 R169	A159-Q165 HydrophobicContact CB-CG 3.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.33Å; D161-Q165 PolarHBondContact O-N 3.43Å; M162-Q165 PolarHBondContact SD-OE1 2.89Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.95Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-R169 WeakPolarHBondContact O-CG 3.29Å; Q165-R169 PolarHBondContact O-N 2.87Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.2	Very high	98.3	Very high	62 Å²	62	63.2 Å²	63.2	32%	0.318	34%	0.337	S	S	.	.	H	α-helix	trans	-66.2	-42.3	174.6	-56.5	171.1	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CE1-CD1 4.27Å; Y108-I166 HydrophobicContact CE1-CG2 4.09Å; Y108-I166 HydrophobicContact CE2-CB 4.12Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.25Å; A163-I166 VanDerWaalsContact O-CB 3.3Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 3.48Å; A164-I166 PolarHBondContact O-N 3.3Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 3.37Å
167	T	98.1	Very high	98.3	Very high	15 Å²	15	61.7 Å²	61.7	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-45.1	176.5	-58.9	0	0	0	0	111.1	Y147 I148 A164 Q165 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.27Å; Y147-T167 PolarHBondContact OH-OG1 3.34Å; I148-T167 HydrophobicContact CD1-CG2 4.35Å; A164-T167 WeakPolarHBondContact O-CA 3.16Å; A164-T167 WeakPolarHBondContact O-CB 3.3Å; A164-T167 PolarHBondContact O-N 2.88Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.3Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 3.25Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.93Å; T167-W171 HydrophobicContact CG2-CG 4.19Å; T167-W171 HydrophobicContact CG2-CZ2 4.08Å; T167-W171 PolarHBondContact O-N 2.92Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	66.5 Å²	66.5	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-50.6	-53.2	175.1	176.1	175.7	13.4	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.89Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 2.99Å; A159-Q168 HydrophobicContact CB-CB 4.41Å; A164-Q168 PolarHBondContact O-N 2.88Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.46Å; Q168-W171 PolarHBondContact O-N 3.37Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.29Å; Q168-E172 PolarHBondContact NE2-OE1 3.34Å; Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 3.01Å
169	R	98.6	Very high	98.2	Very high	148 Å²	148	69.4 Å²	69.4	56%	0.558	36%	0.357	S	S	*	.	H	α-helix	trans	-59.9	-38.5	-180	-68.5	171.5	-164.4	151.5	9.2	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.29Å; Q165-R169 PolarHBondContact O-N 2.87Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.3Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 2.96Å
170	K	98	Very high	98.1	Very high	116 Å²	116	69.7 Å²	69.7	50%	0.504	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-44.5	176.2	-72.5	177.5	174.7	-175.4	0	111.3	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.33Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 3.37Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 3.25Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.46Å; K170-A173 PolarHBondContact O-N 3.08Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.21Å
171	W	98.2	Very high	98.1	Very high	58 Å²	58	70 Å²	70	22%	0.22	34%	0.344	C	S	.	.	H	α-helix	trans	-69.8	-36.9	-179	-76.2	11.7	0	0	0	112.5	I148 W157 T167 Q168 A174 R175 V176	I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.82Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.88Å; W157-W171 HydrophobicContact CE3-CE3 3.88Å; W157-W171 AromaticContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CH2-CD2 4.43Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.28Å; W157-W171 HydrophobicContact CH2-CZ3 3.28Å; W157-W171 HydrophobicContact CZ2-CD2 4.38Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.93Å; T167-W171 HydrophobicContact CG2-CG 4.19Å; T167-W171 HydrophobicContact CG2-CZ2 4.08Å; T167-W171 PolarHBondContact O-N 2.92Å; Q168-W171 PolarHBondContact O-N 3.37Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.52Å; W171-A174 PolarHBondContact O-N 3.44Å; W171-R175 PolarHBondContact O-N 3.45Å; W171-V176 HydrophobicContact CB-CB 4.01Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CG1 4.31Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.18Å; W171-V176 HydrophobicContact CG-CG1 4.47Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 3.42Å
172	E	98.6	Very high	98.2	Very high	91 Å²	91	70.4 Å²	70.4	43%	0.425	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-47.5	172.1	-73.3	170.7	174.5	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.29Å; Q168-E172 PolarHBondContact NE2-OE1 3.34Å; Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 3.01Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.69Å; E172-R175 PolarHBondContact O-N 3.08Å
173	A	98.4	Very high	98.2	Very high	88 Å²	88	67.2 Å²	67.2	73%	0.727	34%	0.336	S	S	*	.	H	α-helix	trans	-61.2	-36.2	176.9	0	0	0	0	0	112.5	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 2.96Å; K170-A173 PolarHBondContact O-N 3.08Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	98.2	Very high	98.2	Very high	60 Å²	60	66.8 Å²	66.8	50%	0.496	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0	176.7	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.21Å; W171-A174 CarbonylContact O-C 3.52Å; W171-A174 PolarHBondContact O-N 3.44Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.69Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.06Å; A174-V176 PolarHBondContact O-N 2.89Å
175	R	97.9	Very high	98.2	Very high	155 Å²	155	71 Å²	71	59%	0.585	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	38.6	-178.3	-56.3	-177.8	175.6	-155.1	3.5	114.3	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 3.45Å; E172-R175 PolarHBondContact O-N 3.08Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.13Å; R175-E178 HydrophobicContact CB-CG 4.28Å; R175-E178 IonicContact NH1-OE1 3.9Å; R175-E178 PolarHBondContact NH1-OE1 3.3Å; R175-E178 IonicContact NH1-OE2 2.81Å; R175-E178 PolarHBondContact O-N 3.45Å
176	V	98.2	Very high	98.2	Very high	29 Å²	29	69.3 Å²	69.3	18%	0.176	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-36	-178.1	176.5	0	0	0	0	111.8	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.47Å; W157-V176 HydrophobicContact CZ2-CB 4.28Å; W157-V176 HydrophobicContact CZ2-CG1 4.07Å; W171-V176 HydrophobicContact CB-CB 4.01Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CG1 4.31Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.18Å; W171-V176 HydrophobicContact CG-CG1 4.47Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 3.42Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.06Å; A174-V176 PolarHBondContact O-N 2.89Å; V176-E178 VanDerWaalsContact C-N 3.28Å; V176-E178 PolarHBondContact O-N 2.86Å; V176-Q179 PolarHBondContact O-N 2.98Å; V176-L180 HydrophobicContact CG1-CD1 3.88Å; V176-L180 HydrophobicContact CG1-CG 4.24Å; V176-L180 PolarHBondContact O-N 3.45Å
177	A	98.4	Very high	98.2	Very high	8 Å²	8	69.1 Å²	69.1	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-59.5	-35.2	178	0	0	0	0	0	113	L150 R155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.94Å; R155-A177 WeakPolarHBondContact O-CB 3.3Å; W157-A177 HydrophobicContact CZ2-CB 4.19Å; R175-A177 PolarHBondContact O-N 3.13Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.06Å; A177-L180 PolarHBondContact O-N 3.4Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 3.29Å
178	E	98.1	Very high	98.2	Very high	112 Å²	112	68.4 Å²	68.4	52%	0.523	35%	0.348	S	S	.	.	H	α-helix	trans	-65.6	-39	178.5	-65.1	178.8	-173.6	0	0	111.5	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.28Å; R175-E178 IonicContact NH1-OE1 3.9Å; R175-E178 PolarHBondContact NH1-OE1 3.3Å; R175-E178 IonicContact NH1-OE2 2.81Å; R175-E178 PolarHBondContact O-N 3.45Å; V176-E178 VanDerWaalsContact C-N 3.28Å; V176-E178 PolarHBondContact O-N 2.86Å; E178-A182 PolarHBondContact O-N 3.19Å; E178-A182 VanDerWaalsContact O-N 3.08Å
179	Q	97.1	Very high	98.2	Very high	139 Å²	139	66.9 Å²	66.9	65%	0.65	34%	0.341	S	S	*	.	H	α-helix	trans	-69.2	-46.2	177.9	-62	179.7	1.5	0	0	111.5	V176 A177 R181 A182 Y183	V176-Q179 PolarHBondContact O-N 2.98Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.06Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.05Å; Q179-A182 PolarHBondContact O-N 3.43Å; Q179-Y183 PolarHBondContact O-N 3.29Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	L	97.9	Very high	98.1	Very high	30 Å²	30	65.9 Å²	65.9	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-42.5	177.4	-70.9	171.9	0	0	0	111.3	Q138 L150 W157 V176 A177 A182 Y183 L184	Q138-L180 HydrophobicContact CB-CD1 4.18Å; Q138-L180 HydrophobicContact CG-CD1 3.77Å; Q138-L180 HydrophobicContact CG-CD2 4.49Å; L150-L180 HydrophobicContact CD2-CB 4.26Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; W157-L180 HydrophobicContact CH2-CD1 3.4Å; W157-L180 VanDerWaalsContact CH2-CD1 3.4Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å; V176-L180 HydrophobicContact CG1-CD1 3.88Å; V176-L180 HydrophobicContact CG1-CG 4.24Å; V176-L180 PolarHBondContact O-N 3.45Å; A177-L180 PolarHBondContact O-N 3.4Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 2.91Å; L180-Y183 PolarHBondContact O-N 3.06Å; L180-L184 WeakPolarHBondContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.34Å; L180-L184 PolarHBondContact O-N 3.49Å
181	R	98.3	Very high	98.1	Very high	66 Å²	66	63.8 Å²	63.8	25%	0.249	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-44.8	175.7	-175.8	172.9	-179.3	-134.8	-10.9	112.1	L154 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.82Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 3.29Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.05Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.38Å; R181-L184 PolarHBondContact O-N 3.45Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.52Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact CZ-OE2 2.84Å; R181-E185 VanDerWaalsContact NE-CD 3.3Å; R181-E185 IonicContact NE-OE1 3.76Å; R181-E185 PolarHBondContact NE-OE1 2.93Å; R181-E185 IonicContact NE-OE2 2.69Å; R181-E185 PolarHBondContact NE-OE2 3.29Å; R181-E185 IonicContact NH2-OE1 3.12Å; R181-E185 PolarHBondContact NH2-OE1 3.05Å; R181-E185 IonicContact NH2-OE2 3.75Å; R181-E185 PolarHBondContact NH2-OE2 3.49Å; R181-E185 WeakPolarHBondContact O-CB 3.5Å; R181-E185 WeakPolarHBondContact O-CG 3.3Å; R181-E185 PolarHBondContact O-N 3.24Å
182	A	98.4	Very high	98.1	Very high	65 Å²	65	61 Å²	61	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-40.7	177	0	0	0	0	0	112.2	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.19Å; E178-A182 VanDerWaalsContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 3.43Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 2.91Å; A182-G186 PolarHBondContact O-N 3.06Å; A182-G186 VanDerWaalsContact O-N 3.13Å
183	Y	98.1	Very high	98	Very high	63 Å²	63	62.4 Å²	62.4	25%	0.247	32%	0.323	C	S	.	.	I	π-helix	trans	-65.2	-48.8	173.8	171.3	-95.9	0	0	0	112.1	Y123 Q179 L180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.94Å; Y123-Y183 HydrophobicContact CD2-CE1 3.94Å; Y123-Y183 AromaticContact CE2-CE1 3.87Å; Y123-Y183 HydrophobicContact CE2-CE1 3.87Å; Q179-Y183 PolarHBondContact O-N 3.29Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; L180-Y183 PolarHBondContact O-N 3.06Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.38Å; Y183-G186 CarbonylContact O-C 3.6Å; Y183-G186 PolarHBondContact O-N 3.07Å; Y183-T187 HydrophobicContact CD2-CG2 3.92Å; Y183-T187 HydrophobicContact CE2-CG2 3.79Å; Y183-T187 PolarHBondContact O-N 2.87Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3.21Å
184	L	98.5	Very high	97.9	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	31%	0.31	C	S	.	.	I	π-helix	trans	-68.6	-39.7	-174.7	-70	171	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.48Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L180-L184 WeakPolarHBondContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.34Å; L180-L184 PolarHBondContact O-N 3.49Å; R181-L184 PolarHBondContact O-N 3.45Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å
185	E	98	Very high	97.8	Very high	88 Å²	88	61 Å²	61	41%	0.411	29%	0.286	S	S	.	.	I	π-helix	trans	-78.5	-25	177.6	-69.6	-178.3	165	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L154-E185 HydrophobicContact CD1-CG 4.14Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.52Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact CZ-OE2 2.84Å; R181-E185 VanDerWaalsContact NE-CD 3.3Å; R181-E185 IonicContact NE-OE1 3.76Å; R181-E185 PolarHBondContact NE-OE1 2.93Å; R181-E185 IonicContact NE-OE2 2.69Å; R181-E185 PolarHBondContact NE-OE2 3.29Å; R181-E185 IonicContact NH2-OE1 3.12Å; R181-E185 PolarHBondContact NH2-OE1 3.05Å; R181-E185 IonicContact NH2-OE2 3.75Å; R181-E185 PolarHBondContact NH2-OE2 3.49Å; R181-E185 WeakPolarHBondContact O-CB 3.5Å; R181-E185 WeakPolarHBondContact O-CG 3.3Å; R181-E185 PolarHBondContact O-N 3.24Å
186	G	97.9	Very high	97.7	Very high	23 Å²	23	54.4 Å²	54.4	24%	0.237	26%	0.262	C	S	.	.	I	π-helix	trans	-109.4	-92	-177.7	0	0	0	0	0	112.4	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.06Å; A182-G186 VanDerWaalsContact O-N 3.13Å; Y183-G186 CarbonylContact O-C 3.6Å; Y183-G186 PolarHBondContact O-N 3.07Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.47Å; G186-V189 PolarHBondContact O-N 3.17Å; G186-E190 WeakPolarHBondContact O-CG 3.17Å; G186-E190 PolarHBondContact O-N 3.29Å
187	T	97.9	Very high	97.5	Very high	57 Å²	57	58.9 Å²	58.9	35%	0.35	28%	0.281	S	S	.	.	I	π-helix	trans	-51.9	-43.5	-170.5	-56	0	0	0	0	113.5	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.92Å; Y183-T187 HydrophobicContact CE2-CG2 3.79Å; Y183-T187 PolarHBondContact O-N 2.87Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; T187-E190 PolarHBondContact O-N 2.84Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 PolarHBondContact O-N 3.37Å
188	C	98.4	Very high	97.4	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-49.2	179.1	-172.9	0	0	0	0	111.5	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.29Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; C125-C188 HydrophobicContact CB-CB 3.95Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 3.08Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.5Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.49Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3.21Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.47Å; C188-E190 PolarHBondContact O-N 2.04Å; C188-W191 PolarHBondContact O-N 2.91Å; C188-L192 WeakPolarHBondContact O-CB 3.43Å; C188-L192 PolarHBondContact O-N 3.23Å
189	V	98.3	Very high	97.2	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-40.1	179.7	174	0	0	0	0	111.4	V127 G131 L133 L184 G186 R193	V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; G131-V189 WeakPolarHBondContact O-CG1 3.34Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 3.86Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å; G186-V189 PolarHBondContact O-N 3.17Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.42Å; V189-R193 PolarHBondContact O-N 2.83Å
190	E	98.1	Very high	97	Very high	127 Å²	127	54.1 Å²	54.1	59%	0.593	26%	0.259	S	S	*	.	H	α-helix	trans	-62.5	-48.5	177.7	-71.7	175.6	172.4	0	0	112.1	G186 T187 C188 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.17Å; G186-E190 PolarHBondContact O-N 3.29Å; T187-E190 PolarHBondContact O-N 2.84Å; C188-E190 PolarHBondContact O-N 2.04Å; E190-R193 PolarHBondContact O-N 3.26Å; E190-R194 PolarHBondContact O-N 3.45Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	97.8	Very high	96.7	Very high	73 Å²	73	61.4 Å²	61.4	28%	0.277	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-42.3	177.4	-81.7	109.2	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.11Å; M29-W191 HydrophobicContact SD-CB 4.43Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.16Å; Y83-W191 AromaticContact CD2-CZ3 3.98Å; Y83-W191 HydrophobicContact CD2-CZ3 3.98Å; Y83-W191 AromaticContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CZ2 4.4Å; Y83-W191 AromaticContact CE2-CZ3 3.96Å; Y83-W191 HydrophobicContact CE2-CZ3 3.96Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 PolarHBondContact O-N 3.37Å; C188-W191 PolarHBondContact O-N 2.91Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 2.85Å; W191-R194 WeakPolarHBondContact O-CB 3.35Å; W191-R194 PolarHBondContact O-N 3.05Å; W191-R194 VanDerWaalsContact O-N 3.15Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.34Å; W191-Y195 AromaticContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE1 3.42Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE2 4.27Å; W191-Y195 AromaticContact CE3-CZ 3.36Å; W191-Y195 AromaticContact CZ3-CE1 3.76Å; W191-Y195 HydrophobicContact CZ3-CE1 3.76Å; W191-Y195 AromaticContact CZ3-CZ 3.96Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 VanDerWaalsContact O-CG 3.27Å; W191-Y195 PolarHBondContact O-N 2.9Å
192	L	97.8	Very high	96.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.2	-49.1	176	-173.4	167.1	0	0	0	110.3	H27 M29 M52 C125 V127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD2 4.17Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 3.74Å; M29-L192 HydrophobicContact CB-CG 3.91Å; M29-L192 HydrophobicContact CE-CB 4.33Å; M29-L192 HydrophobicContact SD-CB 4.43Å; M52-L192 HydrophobicContact CE-CD2 4.16Å; M52-L192 HydrophobicContact CE-CG 3.9Å; M52-L192 HydrophobicContact SD-CG 4.24Å; C125-L192 WeakPolarHBondContact O-CD1 3.21Å; V127-L192 HydrophobicContact CG1-CD1 4.02Å; V127-L192 HydrophobicContact CG1-CD2 4.37Å; V127-L192 HydrophobicContact CG2-CD1 3.98Å; V127-L192 HydrophobicContact CG2-CD2 3.37Å; V127-L192 HydrophobicContact CG2-CG 4.35Å; C188-L192 WeakPolarHBondContact O-CB 3.43Å; C188-L192 PolarHBondContact O-N 3.23Å; L192-R194 PolarHBondContact O-N 3.04Å; L192-Y195 PolarHBondContact O-N 3.13Å; L192-L196 HydrophobicContact CD2-CD1 3.43Å; L192-L196 VanDerWaalsContact CD2-CD1 3.43Å; L192-L196 HydrophobicContact CD2-CG 3.92Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 2.81Å
193	R	96.3	Very high	96	Very high	119 Å²	119	57.5 Å²	57.5	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-60.9	-42.4	177.2	-71.5	173.7	-174.2	173.5	3	112.6	G131 V189 E190 W191 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.31Å; G131-R193 PolarHBondContact O-NE 2.98Å; G131-R193 PolarHBondContact O-NH2 3.44Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.42Å; V189-R193 PolarHBondContact O-N 2.83Å; E190-R193 PolarHBondContact O-N 3.26Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 3.34Å; R193-E197 PolarHBondContact O-N 3.3Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194	R	96.4	Very high	95.6	Very high	119 Å²	119	58.6 Å²	58.6	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-45.2	175.8	174.8	178	173.9	137.4	-0.1	111.3	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.28Å; E79-R194 IonicContact OE1-CZ 3.76Å; E79-R194 IonicContact OE1-NE 3.31Å; E79-R194 PolarHBondContact OE1-NE 2.83Å; E79-R194 IonicContact OE1-NH2 3.7Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 2.78Å; E79-R194 IonicContact OE2-NE 3.93Å; E79-R194 IonicContact OE2-NH2 2.77Å; E79-R194 PolarHBondContact OE2-NH2 3.5Å; E190-R194 PolarHBondContact O-N 3.45Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.35Å; W191-R194 PolarHBondContact O-N 3.05Å; W191-R194 VanDerWaalsContact O-N 3.15Å; L192-R194 PolarHBondContact O-N 3.04Å; R194-E197 PolarHBondContact O-N 3.08Å; R194-N198 WeakPolarHBondContact O-CB 3.45Å; R194-N198 PolarHBondContact O-N 3.07Å; R194-N198 PolarHBondContact O-OD1 2.93Å
195	Y	96.7	Very high	95.3	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-37.6	179.1	-62.8	-24.7	0	0	0	112.7	M29 M52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.67Å; M52-Y195 HydrophobicContact CG-CD2 4.34Å; M52-Y195 HydrophobicContact SD-CD2 3.98Å; F57-Y195 HydrophobicContact CD2-CE2 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.19Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.35Å; F57-Y195 AromaticContact CZ-CE2 3.99Å; F57-Y195 HydrophobicContact CZ-CE2 3.99Å; W75-Y195 HydrophobicContact CH2-CG 4.32Å; W75-Y195 AromaticContact CZ3-CD1 3.91Å; W75-Y195 HydrophobicContact CZ3-CD1 3.91Å; W75-Y195 HydrophobicContact CZ3-CD2 4.38Å; W75-Y195 AromaticContact CZ3-CG 3.74Å; W75-Y195 HydrophobicContact CZ3-CG 3.74Å; I76-Y195 HydrophobicContact CD1-CD1 3.79Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 VanDerWaalsContact CZ-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 3.4Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.34Å; W191-Y195 AromaticContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE1 3.42Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE2 4.27Å; W191-Y195 AromaticContact CE3-CZ 3.36Å; W191-Y195 AromaticContact CZ3-CE1 3.76Å; W191-Y195 HydrophobicContact CZ3-CE1 3.76Å; W191-Y195 AromaticContact CZ3-CZ 3.96Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 VanDerWaalsContact O-CG 3.27Å; W191-Y195 PolarHBondContact O-N 2.9Å; L192-Y195 PolarHBondContact O-N 3.13Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 2.87Å; Y195-N198 PolarHBondContact O-N 2.86Å; Y195-G199 WeakPolarHBondContact O-CA 3.06Å; Y195-G199 PolarHBondContact O-N 2.87Å; Y195-L203 WeakPolarHBondContact O-CD1 3.49Å
196	L	95.2	Very high	95.1	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-38	172.5	-74.4	177.7	0	0	0	112.8	H27 M52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.76Å; H27-L196 HydrophobicContact CB-CD2 4.07Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.25Å; M52-L196 HydrophobicContact CE-CD2 3.68Å; M52-L196 HydrophobicContact CE-CG 3.7Å; L192-L196 HydrophobicContact CD2-CD1 3.43Å; L192-L196 VanDerWaalsContact CD2-CD1 3.43Å; L192-L196 HydrophobicContact CD2-CG 3.92Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 2.81Å; R193-L196 PolarHBondContact O-N 3.34Å; L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.24Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.24Å; L196-Q204 PolarHBondContact O-NE2 3.02Å
197	E	95	Very high	95	Very high	123 Å²	123	62.8 Å²	62.8	58%	0.575	29%	0.292	S	S	*	.	H	α-helix	trans	-71.5	-47.2	176.3	-171.6	59.3	-152.3	0	0	110.9	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.3Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 3.08Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 2.87Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.34Å; E197-K200 WeakPolarHBondContact O-CB 3.2Å; E197-K200 PolarHBondContact O-N 3.49Å
198	N	95.2	Very high	94.9	Very high	54 Å²	54	62.3 Å²	62.3	29%	0.289	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-41.9	178	-73.1	-4.9	0	0	0	112.7	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 2.84Å; Q78-N198 PolarHBondContact NE2-OD1 2.98Å; E79-N198 PolarHBondContact OE1-ND2 2.79Å; R194-N198 WeakPolarHBondContact O-CB 3.45Å; R194-N198 PolarHBondContact O-N 3.07Å; R194-N198 PolarHBondContact O-OD1 2.93Å; Y195-N198 PolarHBondContact O-N 2.86Å
199	G	94.6	Very high	94.9	Very high	3 Å²	3	62.7 Å²	62.7	3%	0.031	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	16.6	-176.1	0	0	0	0	0	113.9	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.06Å; Y195-G199 PolarHBondContact O-N 2.87Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.34Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.87Å; G199-E201 VanDerWaalsContact O-N 3.13Å; G199-T202 CarbonylContact O-C 3.6Å; G199-T202 WeakPolarHBondContact O-CA 3.46Å; G199-T202 PolarHBondContact O-N 2.7Å; G199-L203 PolarHBondContact O-N 2.98Å
200	K	92.7	Very high	94.9	Very high	103 Å²	103	69 Å²	69	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-49.2	-44.4	-169.4	-177.1	172.5	-174	172	0	114.4	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.19Å; L196-K200 WeakPolarHBondContact O-CB 3.24Å; L196-K200 PolarHBondContact O-N 2.84Å; E197-K200 WeakPolarHBondContact O-CB 3.2Å; E197-K200 PolarHBondContact O-N 3.49Å; K200-T202 PolarHBondContact O-N 2.9Å; K200-Q204 WeakPolarHBondContact O-CB 3.31Å; K200-Q204 PolarHBondContact O-N 3.08Å; K200-Q204 VanDerWaalsContact O-N 3.13Å
201	E	90.6	Very high	94.9	Very high	183 Å²	183	64.7 Å²	64.7	86%	0.855	31%	0.306	S	S	*	.	H	α-helix	trans	-64	-25.2	179.8	-62.6	-174.5	166.4	0	0	113.5	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.87Å; G199-E201 VanDerWaalsContact O-N 3.13Å
202	T	90.9	Very high	94.7	Very high	44 Å²	44	65 Å²	65	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-101.6	-44.5	-179.2	-53.8	0	0	0	0	112.3	G199 K200 R205	G199-T202 CarbonylContact O-C 3.6Å; G199-T202 WeakPolarHBondContact O-CA 3.46Å; G199-T202 PolarHBondContact O-N 2.7Å; K200-T202 PolarHBondContact O-N 2.9Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.41Å
203	L	91.6	Very high	94.6	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-83.6	-25.8	-171.7	-62.7	175.7	0	0	0	113.2	M52 T55 W75 Y195 L196 G199	M52-L203 HydrophobicContact CB-CD1 4.04Å; M52-L203 HydrophobicContact CB-CD2 3.8Å; M52-L203 HydrophobicContact CE-CD1 4.19Å; M52-L203 HydrophobicContact CG-CD1 4.26Å; T55-L203 HydrophobicContact CG2-CD2 4.19Å; W75-L203 HydrophobicContact CH2-CD1 4.31Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.36Å; Y195-L203 WeakPolarHBondContact O-CD1 3.49Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.24Å; G199-L203 PolarHBondContact O-N 2.98Å
204	Q	90.2	Very high	94.6	Very high	87 Å²	87	62.4 Å²	62.4	41%	0.407	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	14.9	177.4	-58.1	177.9	29.5	0	0	112	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.02Å; K200-Q204 WeakPolarHBondContact O-CB 3.31Å; K200-Q204 PolarHBondContact O-N 3.08Å; K200-Q204 VanDerWaalsContact O-N 3.13Å
205	R	92.1	Very high	94.5	Very high	77 Å²	77	59.8 Å²	59.8	29%	0.291	30%	0.298	S	S	.	.			trans	-81.3	150.5	172.8	84.5	-171.9	175.4	-164.3	-0.1	109.7	T202 D207 Y233	T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.41Å; R205-D207 IonicContact CZ-OD2 3.76Å; R205-D207 IonicContact NE-OD2 2.88Å; R205-D207 PolarHBondContact NE-OD2 2.98Å; R205-Y233 HydrophobicContact CG-CD1 3.85Å; R205-Y233 HydrophobicContact CG-CE1 4.21Å; R205-Y233 VanDerWaalsContact O-CD1 3.26Å; R205-Y233 WeakPolarHBondContact O-CD1 3.33Å; R205-Y233 WeakPolarHBondContact O-CE1 3.07Å
206	T	93.3	Very high	94.3	Very high	67 Å²	67	63.9 Å²	63.9	41%	0.411	32%	0.317	S	S	.	.			trans	-128.1	113.3	171.1	54.8	0	0	0	0	108.2	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.46Å; T206-E288 HydrophobicContact CG2-CG 4.07Å
207	D	95.4	Very high	94.1	Very high	56 Å²	56	66.9 Å²	66.9	30%	0.299	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-101.6	113.3	178.6	-63.1	-38.8	0	0	0	108.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 3.76Å; R205-D207 IonicContact NE-OD2 2.88Å; R205-D207 PolarHBondContact NE-OD2 2.98Å; D207-F232 VanDerWaalsContact O-CA 3.23Å; D207-F232 WeakPolarHBondContact O-CA 3.45Å; D207-F232 WeakPolarHBondContact O-CB 3.39Å; D207-Y233 PolarHBondContact N-O 3.09Å; D207-Y233 PolarHBondContact O-N 3.01Å; D207-Y233 VanDerWaalsContact O-N 3.12Å; D207-H287 PolarHBondContact O-CE1 3.48Å; D207-H287 VanDerWaalsContact O-CE1 3.24Å
208	A	97.3	Very high	93.8	Very high	46 Å²	46	65.5 Å²	65.5	38%	0.38	34%	0.344	S	S	.	.			trans	-65.7	141.5	-179.8	0	0	0	0	0	111.8	K210 G289 L290	A208-K210 PolarHBondContact O-N 3.18Å; A208-G289 WeakPolarHBondContact CB-O 3.4Å; A208-L290 HydrophobicContact CB-CD2 4Å
209	P	98.1	Very high	93.6	Very high	8 Å²	8	65.3 Å²	65.3	5%	0.052	35%	0.347	C	S	.	.			trans	-64.4	131.9	179.1	26.5	-34.8	0	0	0	112.3	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.12Å; P209-T211 HydrophobicContact CG-CG2 4.3Å; P209-T211 PolarHBondContact O-N 3.42Å; P209-A229 HydrophobicContact CB-CB 3.89Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.03Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.16Å
210	K	97.9	Very high	93.2	Very high	141 Å²	141	72.5 Å²	72.5	61%	0.613	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	104.5	165.3	-65.8	175.8	-174.1	166.8	0	108.2	A208 L230	A208-K210 PolarHBondContact O-N 3.18Å; K210-L230 PolarHBondContact N-O 3Å; K210-L230 PolarHBondContact O-N 2.92Å
211	T	97.5	Very high	93.1	Very high	36 Å²	36	74.4 Å²	74.4	22%	0.221	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.4	-175.1	58.3	0	0	0	0	112.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.12Å; P209-T211 HydrophobicContact CG-CG2 4.3Å; P209-T211 PolarHBondContact O-N 3.42Å; T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-A229 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.22Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.28Å; T211-L296 HydrophobicContact CG2-CD1 4.08Å
212	H	95	Very high	93.3	Very high	78 Å²	78	70.2 Å²	70.2	36%	0.361	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.6	169.2	69.2	-78.5	0	0	0	110.6	W228	H212-W228 AromaticContact CD2-CD1 3.92Å; H212-W228 WeakPolarHBondContact CE1-CB 3.28Å; H212-W228 AromaticContact CE1-CD1 3.79Å; H212-W228 AromaticContact CE1-CG 3.48Å; H212-W228 VanDerWaalsContact CE1-CG 3.48Å; H212-W228 PolarHBondContact N-O 3.45Å; H212-W228 AromaticContact NE2-CD1 3.41Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 AromaticContact NE2-NE1 3.96Å; H212-W228 PolarHBondContact O-N 2.81Å
213	M	95.6	Very high	93.5	Very high	33 Å²	33	68.1 Å²	68.1	16%	0.163	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.1	177.2	-80.8	167.9	139.1	0	0	111.1	R226 W241 C283 L296 W298	M213-R226 CarbonylContact C-O 3.56Å; M213-R226 VanDerWaalsContact CA-O 3.29Å; M213-R226 WeakPolarHBondContact CA-O 3.47Å; M213-W241 HydrophobicContact CE-CH2 3.13Å; M213-W241 HydrophobicContact CE-CZ2 4.02Å; M213-W241 HydrophobicContact CE-CZ3 3.48Å; M213-W241 VanDerWaalsContact CE-CZ3 3.48Å; M213-C283 HydrophobicContact CE-CB 3.62Å; M213-L296 HydrophobicContact CE-CB 4Å; M213-L296 WeakPolarHBondContact CE-O 3.38Å; M213-L296 HydrophobicContact CG-CB 4.47Å; M213-L296 HydrophobicContact SD-CB 3.76Å; M213-W298 HydrophobicContact SD-CB 4.27Å; M213-W298 PolarHBondContact SD-N 3.43Å
214	T	94.8	Very high	93.8	Very high	33 Å²	33	69 Å²	69	20%	0.202	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.9	168.2	69	0	0	0	0	109.9	H216 R226 W228	T214-H216 PolarHBondContact OG1-NE2 3.07Å; T214-R226 PolarHBondContact N-O 2.79Å; T214-R226 PolarHBondContact O-N 3.4Å; T214-W228 PolarHBondContact OG1-NE1 2.83Å
215	H	94.6	Very high	94.1	Very high	64 Å²	64	64.9 Å²	64.9	30%	0.296	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.6	177.5	165.4	-79	0	0	0	108.4	A223 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.37Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-W298 HydrophobicContact CB-CD2 4.4Å; H215-W298 HydrophobicContact CB-CG 4.48Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CD2-CE2 3.97Å; H215-W298 AromaticContact CD2-CZ2 3.85Å; H215-W298 AromaticContact CG-CE2 3.86Å; H215-W298 AromaticContact CG-CZ2 3.77Å
216	H	93.1	Very high	94.4	Very high	87 Å²	87	63.7 Å²	63.7	40%	0.403	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.6	178	-59.6	-75.1	0	0	0	108.9	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 3.07Å; H216-V218 PolarHBondContact O-N 3.44Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 VanDerWaalsContact O-CA 3.31Å; H216-A223 WeakPolarHBondContact O-CA 3.39Å; H216-T224 PolarHBondContact N-O 3.36Å; H216-T224 PolarHBondContact O-N 2.6Å; H216-R226 PolarHBondContact NE2-NH1 3.46Å
217	A	91.6	Very high	94.6	Very high	78 Å²	78	60.5 Å²	60.5	65%	0.645	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	125.8	172.5	0	0	0	0	0	109.3
218	V	88.2	Confident	94.7	Very high	93 Å²	93	60 Å²	60	56%	0.564	32%	0.319	S	S	*	.			trans	-97	-39.6	177.5	-179.3	0	0	0	0	109.7	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.44Å; V218-E222 PolarHBondContact N-O 2.87Å; V218-T224 VanDerWaalsContact CG2-OG1 3.29Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.46Å
219	S	89.8	Confident	94.8	Very high	51 Å²	51	57.8 Å²	57.8	36%	0.357	30%	0.301	S	S	.	.	S	Bend	trans	-148.8	-178.5	174.4	71.1	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 2.83Å; S219-H221 PolarHBondContact OG-N 2.92Å; S219-E222 PolarHBondContact N-O 3.26Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.39Å
220	D	87.1	Confident	94.8	Very high	153 Å²	153	59.7 Å²	59.7	82%	0.818	31%	0.31	S	S	*	.	S	Bend	trans	-66.5	-9.5	172.3	-66	-21.7	0	0	0	113.4
221	H	91.7	Very high	94.7	Very high	144 Å²	144	55 Å²	55	67%	0.667	30%	0.295	S	S	*	.	S	Bend	trans	-116.4	-16.1	-176	-56.7	-39.3	0	0	0	113.3	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.83Å; S219-H221 PolarHBondContact OG-N 2.92Å; H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; H221-S275 PolarHBondContact O-N 2.85Å; H221-S275 PolarHBondContact O-OG 3.3Å
222	E	94.3	Very high	94.7	Very high	94 Å²	94	53.3 Å²	53.3	44%	0.439	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.5	-171.9	-66.5	-178.9	170.9	0	0	112.3	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.87Å; S219-E222 PolarHBondContact N-O 3.26Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.39Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.45Å; E222-S275 PolarHBondContact N-OG 3.06Å
223	A	94.8	Very high	94.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.7	171.2	0	0	0	0	0	110.6	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.37Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 VanDerWaalsContact O-CA 3.31Å; H216-A223 WeakPolarHBondContact O-CA 3.39Å; A223-V273 HydrophobicContact CB-CG2 4.35Å; A223-V273 PolarHBondContact N-O 2.86Å; A223-V273 WeakPolarHBondContact O-CG2 3.38Å; A223-V273 PolarHBondContact O-N 3.4Å
224	T	96.7	Very high	94.7	Very high	23 Å²	23	49.1 Å²	49.1	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.6	168.4	-54.8	0	0	0	0	108.9	H216 V218 V271	H216-T224 PolarHBondContact N-O 3.36Å; H216-T224 PolarHBondContact O-N 2.6Å; V218-T224 VanDerWaalsContact CG2-OG1 3.29Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.46Å; T224-V271 WeakPolarHBondContact CA-O 3.45Å
225	L	97.2	Very high	94.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.3	165.3	-63	-178.5	0	0	0	108.8	H215 W241 S270 V271 V273 E278 W298	H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.52Å; L225-W241 HydrophobicContact CB-CZ2 3.88Å; L225-W241 HydrophobicContact CB-CZ3 4.36Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.18Å; L225-W241 HydrophobicContact CG-CH2 4.44Å; L225-S270 CarbonylContact O-C 3.58Å; L225-S270 WeakPolarHBondContact O-CA 3.25Å; L225-S270 WeakPolarHBondContact O-CB 3.47Å; L225-V271 HydrophobicContact CB-CG1 4.36Å; L225-V271 PolarHBondContact N-O 3.23Å; L225-V271 PolarHBondContact O-N 2.89Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.02Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.06Å; L225-E278 HydrophobicContact CD1-CG 4.43Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.26Å; L225-W298 HydrophobicContact CD1-CB 4.37Å; L225-W298 HydrophobicContact CD2-CB 3.96Å; L225-W298 HydrophobicContact CD2-CD2 4.28Å; L225-W298 HydrophobicContact CD2-CG 3.87Å
226	R	97.7	Very high	94.9	Very high	52 Å²	52	50.6 Å²	50.6	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.3	175.5	-173	177.9	-65.8	116.2	0.2	110.3	M213 T214 H216 W228 W268 A269	M213-R226 CarbonylContact C-O 3.56Å; M213-R226 VanDerWaalsContact CA-O 3.29Å; M213-R226 WeakPolarHBondContact CA-O 3.47Å; T214-R226 PolarHBondContact N-O 2.79Å; T214-R226 PolarHBondContact O-N 3.4Å; H216-R226 PolarHBondContact NE2-NH1 3.46Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.18Å; R226-W268 HydrophobicContact CG-CE3 3.95Å; R226-W268 HydrophobicContact CG-CG 4.27Å; R226-A269 WeakPolarHBondContact CA-O 3.12Å
227	C	97.9	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.6	175.1	-174.6	0	0	0	0	109	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.71Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.4Å; C227-W268 VanDerWaalsContact O-CB 3.25Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; C227-A269 PolarHBondContact N-O 3.08Å; C227-A269 PolarHBondContact O-N 3.42Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.17Å; C227-C283 WeakPolarHBondContact SG-CB 3.3Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.9Å
228	W	98.3	Very high	95.3	Very high	46 Å²	46	45.5 Å²	45.5	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	140.7	-179.9	-68.6	88.1	0	0	0	110.4	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.44Å; H212-W228 AromaticContact CD2-CD1 3.92Å; H212-W228 WeakPolarHBondContact CE1-CB 3.28Å; H212-W228 AromaticContact CE1-CD1 3.79Å; H212-W228 AromaticContact CE1-CG 3.48Å; H212-W228 VanDerWaalsContact CE1-CG 3.48Å; H212-W228 PolarHBondContact N-O 3.45Å; H212-W228 AromaticContact NE2-CD1 3.41Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 AromaticContact NE2-NE1 3.96Å; H212-W228 PolarHBondContact O-N 2.81Å; T214-W228 PolarHBondContact OG1-NE1 2.83Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.85Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.28Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å
229	A	98.4	Very high	95.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.6	163	0	0	0	0	0	107.7	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.89Å; T211-A229 HydrophobicContact CG2-CB 4.45Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.87Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.41Å; A229-K267 PolarHBondContact N-O 2.81Å; A229-K267 PolarHBondContact O-N 3.47Å; A229-K267 VanDerWaalsContact O-O 3.06Å
230	L	98.2	Very high	96.1	Very high	48 Å²	48	40.9 Å²	40.9	25%	0.251	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.7	-175.6	-59.2	179.3	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3Å; K210-L230 PolarHBondContact O-N 2.92Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 3.36Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231	S	97.4	Very high	96.6	Very high	43 Å²	43	33.7 Å²	33.7	30%	0.301	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.9	43.7	171	-55.2	0	0	0	0	113.9	T264 F265	S231-T264 WeakPolarHBondContact CA-OG1 3.44Å; S231-F265 PolarHBondContact N-O 2.83Å
232	F	97.5	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	156.8	176.7	59.8	-90.4	0	0	0	112.4	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 VanDerWaalsContact O-CA 3.23Å; D207-F232 WeakPolarHBondContact O-CA 3.45Å; D207-F232 WeakPolarHBondContact O-CB 3.39Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.87Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 3.36Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; F232-I237 HydrophobicContact CD1-CD1 3.92Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 4.02Å; F232-I237 HydrophobicContact CZ-CB 4.11Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 WeakPolarHBondContact O-CA 3.3Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.46Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 3.03Å; F232-F265 PolarHBondContact O-N 3.26Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.67Å
233	Y	95.6	Very high	97	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.016	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-152.6	135.4	174.3	178.8	-84.3	0	0	0	109.2	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.42Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.36Å; T55-Y233 PolarHBondContact OG1-OH 2.98Å; R205-Y233 HydrophobicContact CG-CD1 3.85Å; R205-Y233 HydrophobicContact CG-CE1 4.21Å; R205-Y233 VanDerWaalsContact O-CD1 3.26Å; R205-Y233 WeakPolarHBondContact O-CD1 3.33Å; R205-Y233 WeakPolarHBondContact O-CE1 3.07Å; T206-Y233 WeakPolarHBondContact CA-O 3.46Å; D207-Y233 PolarHBondContact N-O 3.09Å; D207-Y233 PolarHBondContact O-N 3.01Å; D207-Y233 VanDerWaalsContact O-N 3.12Å; Y233-G263 WeakPolarHBondContact CD2-O 3.38Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; Y233-H287 PolarHBondContact O-CE1 3.4Å
234	P	94.7	Very high	97	Very high	19 Å²	19	33 Å²	33	12%	0.123	17%	0.168	C	C	.	.	S	Bend	cis	-73.4	179.1	3.9	31	-36.9	0	0	0	113.5	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.47Å; P234-H287 PolarHBondContact O-NE2 2.94Å
235	A	96.3	Very high	96.8	Very high	13 Å²	13	34.2 Å²	34.2	11%	0.107	18%	0.184	C	C	.	.	S	Bend	trans	-69.8	-27.5	-174.8	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.22Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 VanDerWaalsContact OD2-CB 3.27Å; D54-A235 WeakPolarHBondContact OD2-CB 3.33Å; D54-A235 PolarHBondContact OD2-N 3.45Å; A235-I237 PolarHBondContact O-N 3.15Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-T257 WeakPolarHBondContact O-CG2 3.5Å; A235-F265 HydrophobicContact CB-CD1 3.65Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.63Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.66Å
236	E	95.6	Very high	96.7	Very high	115 Å²	115	40.3 Å²	40.3	54%	0.537	21%	0.213	S	C	.	.			trans	-63.6	122.1	179.7	-170	59.1	-143.8	0	0	109.5	W23 P234 H287	W23-E236 HydrophobicContact CE3-CG 4.19Å; W23-E236 HydrophobicContact CH2-CB 4.15Å; W23-E236 HydrophobicContact CH2-CG 3.32Å; W23-E236 HydrophobicContact CZ2-CG 3.84Å; W23-E236 HydrophobicContact CZ3-CB 3.84Å; W23-E236 HydrophobicContact CZ3-CG 3.48Å; W23-E236 VanDerWaalsContact CZ3-CG 3.48Å; W23-E236 WeakPolarHBondContact CZ3-O 3.07Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.47Å; E236-H287 PolarHBondContact O-CD2 2.86Å
237	I	96.8	Very high	96.5	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.046	23%	0.229	C	C	.	.			trans	-157.2	142.6	-177.4	-165.3	171.4	0	0	0	109.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.92Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 4.02Å; F232-I237 HydrophobicContact CZ-CB 4.11Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 3.15Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.17Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238	T	97.3	Very high	96.4	Very high	49 Å²	49	43.2 Å²	43.2	30%	0.301	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.3	174.8	-61	0	0	0	0	110.6	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.99Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; T238-Q286 PolarHBondContact N-O 3.14Å; T238-Q286 PolarHBondContact O-N 3.1Å
239	L	97.8	Very high	96	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.7	172.5	-87.3	62.4	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.17Å; L239-L254 HydrophobicContact CB-CD1 4.12Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; L239-H284 WeakPolarHBondContact CA-O 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	97.1	Very high	95.6	Very high	41 Å²	41	55.4 Å²	55.4	25%	0.252	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.3	176	58.7	0	0	0	0	111.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.99Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.31Å; T240-H284 PolarHBondContact N-O 3.23Å; T240-H284 PolarHBondContact O-N 3.22Å
241	W	97.8	Very high	95.1	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.2	170.5	-81.3	101.8	0	0	0	110.3	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.13Å; M213-W241 HydrophobicContact CE-CZ2 4.02Å; M213-W241 HydrophobicContact CE-CZ3 3.48Å; M213-W241 VanDerWaalsContact CE-CZ3 3.48Å; L225-W241 HydrophobicContact CB-CH2 3.52Å; L225-W241 HydrophobicContact CB-CZ2 3.88Å; L225-W241 HydrophobicContact CB-CZ3 4.36Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.18Å; L225-W241 HydrophobicContact CG-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.71Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.38Å; W241-A269 VanDerWaalsContact NE1-C 3.35Å; W241-A269 PolarHBondContact NE1-O 2.81Å; W241-V271 HydrophobicContact CB-CG1 4.49Å; W241-V271 HydrophobicContact CD2-CB 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.56Å; W241-V271 HydrophobicContact CE3-CG1 3.82Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.89Å; W241-V271 HydrophobicContact CH2-CG1 4.3Å; W241-V271 HydrophobicContact CZ2-CG1 4.12Å; W241-V271 HydrophobicContact CZ3-CG1 4.19Å; W241-T282 WeakPolarHBondContact CA-O 3.11Å; W241-C283 HydrophobicContact CD2-CB 4.21Å; W241-C283 HydrophobicContact CE3-CB 4.16Å; W241-C283 HydrophobicContact CH2-CB 4.18Å; W241-C283 HydrophobicContact CZ2-CB 4.18Å; W241-C283 HydrophobicContact CZ3-CB 4.14Å
242	Q	97.5	Very high	95	Very high	42 Å²	42	57.5 Å²	57.5	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.3	171.8	-70.3	-174.6	-6.1	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.19Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.41Å; Q242-D247 PolarHBondContact NE2-OD1 3.41Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; Q242-T282 PolarHBondContact N-O 3.29Å; Q242-T282 PolarHBondContact O-N 2.91Å; Q242-H284 PolarHBondContact OE1-NE2 3.28Å
243	R	96.9	Very high	95	Very high	82 Å²	82	62.9 Å²	62.9	31%	0.309	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.7	168.2	-177.4	-178.5	68.8	-167.4	-5.5	108.4	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.45Å; R243-E246 PolarHBondContact N-O 3.41Å; R243-E246 PolarHBondContact O-N 3.36Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-R280 WeakPolarHBondContact CA-O 3.3Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.09Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 WeakPolarHBondContact CD-OH 3.5Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.15Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å
244	D	94.6	Very high	95	Very high	99 Å²	99	66.9 Å²	66.9	53%	0.529	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	30.1	-174.5	-52.1	-53.2	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 2.84Å; D244-R280 WeakPolarHBondContact OD1-CB 3.48Å; D244-R280 IonicContact OD1-NE 3.48Å; D244-R280 PolarHBondContact OD1-NE 3.08Å; D244-R280 IonicContact OD2-CZ 3.33Å; D244-R280 IonicContact OD2-NE 2.61Å; D244-R280 PolarHBondContact OD2-NE 3.22Å; D244-R280 IonicContact OD2-NH2 3.07Å; D244-R280 PolarHBondContact OD2-NH2 3.06Å
245	G	91.4	Very high	95.1	Very high	48 Å²	48	67.6 Å²	67.6	50%	0.495	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-1.1	-177.8	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.45Å
246	E	95.4	Very high	95.1	Very high	129 Å²	129	75.2 Å²	75.2	60%	0.603	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.5	175.3	-63.7	-176.1	167.2	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.19Å; R243-E246 PolarHBondContact N-O 3.41Å; R243-E246 PolarHBondContact O-N 3.36Å; E246-Q248 PolarHBondContact O-NE2 3.37Å
247	D	95.2	Very high	95.2	Very high	98 Å²	98	71.8 Å²	71.8	52%	0.524	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	135	179.9	-69.1	-26.1	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.41Å; Q242-D247 PolarHBondContact NE2-OD1 3.41Å
248	Q	95	Very high	95.3	Very high	14 Å²	14	75.9 Å²	75.9	7%	0.065	39%	0.393	C	S	.	.			trans	-107.4	40.1	-177.5	-57.6	-59.7	-70.8	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.38Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 3.37Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.13Å; Q248-D251 PolarHBondContact O-N 2.8Å; Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 3.29Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 3.48Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å
249	T	90	Very high	95.2	Very high	109 Å²	109	78 Å²	78	67%	0.669	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.2	-170	-47.4	0	0	0	0	113.9
250	Q	89.9	Confident	95.2	Very high	193 Å²	193	80 Å²	80	90%	0.902	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-31.8	-178.5	-66.5	-175.5	6.6	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.13Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	88.3	Confident	95	Very high	110 Å²	110	81.7 Å²	81.7	59%	0.588	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-0	-178.4	-58	-46.1	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.8Å
252	T	95	Very high	94.7	Very high	25 Å²	25	86.6 Å²	86.6	15%	0.153	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.8	179.7	-64.2	0	0	0	0	110.7	Q248 Q250 L254 A269 S270	Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 3.29Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 3.48Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.35Å; T252-L254 PolarHBondContact O-N 3.49Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; T252-S270 CarbonylContact C-O 3.54Å; T252-S270 WeakPolarHBondContact CA-O 3.34Å
253	E	96.5	Very high	94.5	Very high	113 Å²	113	86.6 Å²	86.6	53%	0.528	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	108.5	162.5	-174.2	-174.8	-175.3	0	0	108.8	W268 A269 S270	E253-W268 HydrophobicContact CB-CZ3 4.33Å; E253-W268 HydrophobicContact CG-CH2 4.01Å; E253-W268 HydrophobicContact CG-CZ3 3.89Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.41Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; E253-S270 PolarHBondContact N-O 2.93Å; E253-S270 PolarHBondContact O-N 3.07Å; E253-S270 PolarHBondContact OE2-OG 3.25Å
254	L	96.7	Very high	94.4	Very high	89 Å²	89	83.3 Å²	83.3	47%	0.466	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.8	178.2	-175	68.4	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.12Å; T252-L254 HydrophobicContact CG2-CB 4.35Å; T252-L254 PolarHBondContact O-N 3.49Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.61Å
255	V	96.6	Very high	94.6	Very high	34 Å²	34	79.9 Å²	79.9	21%	0.206	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-83	153.1	173.8	-65.1	0	0	0	0	112.1	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.46Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.18Å; V255-W268 HydrophobicContact CB-CD2 4.46Å; V255-W268 HydrophobicContact CB-CZ2 4.36Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.22Å; V255-W268 HydrophobicContact CG1-CH2 3.47Å; V255-W268 VanDerWaalsContact CG1-CH2 3.47Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 3.97Å; V255-W268 HydrophobicContact CG2-CD2 3.7Å; V255-W268 HydrophobicContact CG2-CE3 4.38Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.34Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 3.4Å
256	E	96.7	Very high	94.9	Very high	172 Å²	172	79.8 Å²	79.8	80%	0.804	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.3	149	167.6	-67.6	-176.1	174.1	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 2.88Å
257	T	97.8	Very high	95.1	Very high	44 Å²	44	74.7 Å²	74.7	27%	0.27	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-68.5	130.9	174.1	-56.8	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-T257 WeakPolarHBondContact O-CG2 3.5Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 3.08Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
258	R	97.1	Very high	95.2	Very high	95 Å²	95	71.2 Å²	71.2	36%	0.358	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.6	-174.9	67.9	-167.3	-179.1	-169.2	3.2	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.88Å; R258-F265 WeakPolarHBondContact O-CA 3.45Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.96Å; R258-Q266 WeakPolarHBondContact O-CG 3.33Å; R258-Q266 PolarHBondContact O-N 2.83Å
259	P	97	Very high	95.3	Very high	92 Å²	92	70.5 Å²	70.5	60%	0.597	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	145.2	177.6	28.4	-34.4	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	96.4	Very high	95.7	Very high	49 Å²	49	65.5 Å²	65.5	41%	0.405	37%	0.366	S	S	.	.			trans	-89	-16.2	173.6	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.18Å; A260-T264 PolarHBondContact N-O 3.17Å
261	G	93.1	Very high	96	Very high	77 Å²	77	56.4 Å²	56.4	79%	0.794	32%	0.323	S	S	*	.	S	Bend	trans	96	-7.4	179.1	0	0	0	0	0	114.9
262	D	92.4	Very high	96.4	Very high	105 Å²	105	54.7 Å²	54.7	56%	0.561	32%	0.317	S	S	*	.	S	Bend	trans	-105.7	13.7	176.7	61.7	-0.9	0	0	0	112.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; D262-T264 WeakPolarHBondContact OD1-CB 3.47Å; D262-T264 PolarHBondContact OD1-N 2.87Å; D262-T264 PolarHBondContact OD1-OG1 2.61Å
263	G	91.5	Very high	96.5	Very high	41 Å²	41	53.5 Å²	53.5	42%	0.423	31%	0.31	S	S	.	.	S	Bend	trans	84.6	4.7	-173.6	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.38Å
264	T	96.5	Very high	96.4	Very high	14 Å²	14	50.3 Å²	50.3	9%	0.086	30%	0.299	C	S	.	.			trans	-107.8	172.4	171.7	73.4	0	0	0	0	112.2	S231 F232 A260 D262	S231-T264 WeakPolarHBondContact CA-OG1 3.44Å; F232-T264 WeakPolarHBondContact O-CA 3.3Å; A260-T264 WeakPolarHBondContact CB-O 3.18Å; A260-T264 PolarHBondContact N-O 3.17Å; D262-T264 WeakPolarHBondContact OD1-CB 3.47Å; D262-T264 PolarHBondContact OD1-N 2.87Å; D262-T264 PolarHBondContact OD1-OG1 2.61Å
265	F	98	Very high	96.2	Very high	26 Å²	26	48.6 Å²	48.6	11%	0.114	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.8	-177.9	-63.4	-86.4	0	0	0	112.2	D54 S231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.83Å; D54-F265 HydrophobicContact CB-CZ 3.64Å; S231-F265 PolarHBondContact N-O 2.83Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.46Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 3.03Å; F232-F265 PolarHBondContact O-N 3.26Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; A235-F265 HydrophobicContact CB-CD1 3.65Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.63Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.66Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.45Å; P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
266	Q	98.2	Very high	95.8	Very high	46 Å²	46	50.1 Å²	50.1	22%	0.215	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.5	174.3	44	167	-22.8	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.41Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.96Å; R258-Q266 WeakPolarHBondContact O-CG 3.33Å; R258-Q266 PolarHBondContact O-N 2.83Å
267	K	98.5	Very high	95.7	Very high	22 Å²	22	45 Å²	45	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.7	177	-162.5	-177	-171	69.6	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.81Å; A229-K267 PolarHBondContact O-N 3.47Å; A229-K267 VanDerWaalsContact O-O 3.06Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.46Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.18Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 3.08Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
268	W	98.1	Very high	95.5	Very high	25 Å²	25	43.8 Å²	43.8	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.2	168.9	58.6	-98.5	0	0	0	111.4	R226 C227 W228 E253 V255 S270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.18Å; R226-W268 HydrophobicContact CG-CE3 3.95Å; R226-W268 HydrophobicContact CG-CG 4.27Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.4Å; C227-W268 VanDerWaalsContact O-CB 3.25Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.85Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.28Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; E253-W268 HydrophobicContact CB-CZ3 4.33Å; E253-W268 HydrophobicContact CG-CH2 4.01Å; E253-W268 HydrophobicContact CG-CZ3 3.89Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.41Å; V255-W268 HydrophobicContact CB-CD2 4.46Å; V255-W268 HydrophobicContact CB-CZ2 4.36Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.22Å; V255-W268 HydrophobicContact CG1-CH2 3.47Å; V255-W268 VanDerWaalsContact CG1-CH2 3.47Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 3.97Å; V255-W268 HydrophobicContact CG2-CD2 3.7Å; V255-W268 HydrophobicContact CG2-CE3 4.38Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.34Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 3.4Å; W268-S270 WeakPolarHBondContact CZ3-OG 3.39Å
269	A	98	Very high	95.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.7	173.5	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.12Å; C227-A269 PolarHBondContact N-O 3.08Å; C227-A269 PolarHBondContact O-N 3.42Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; W241-A269 VanDerWaalsContact NE1-C 3.35Å; W241-A269 PolarHBondContact NE1-O 2.81Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; L254-A269 HydrophobicContact CD1-CB 3.61Å
270	S	97.3	Very high	95.3	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.5	173.9	49	0	0	0	0	113.8	L225 T252 E253 W268	L225-S270 CarbonylContact O-C 3.58Å; L225-S270 WeakPolarHBondContact O-CA 3.25Å; L225-S270 WeakPolarHBondContact O-CB 3.47Å; T252-S270 CarbonylContact C-O 3.54Å; T252-S270 WeakPolarHBondContact CA-O 3.34Å; E253-S270 PolarHBondContact N-O 2.93Å; E253-S270 PolarHBondContact O-N 3.07Å; E253-S270 PolarHBondContact OE2-OG 3.25Å; W268-S270 WeakPolarHBondContact CZ3-OG 3.39Å
271	V	97.4	Very high	95.3	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.6	177	62.6	0	0	0	0	108.8	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.45Å; L225-V271 HydrophobicContact CB-CG1 4.36Å; L225-V271 PolarHBondContact N-O 3.23Å; L225-V271 PolarHBondContact O-N 2.89Å; W241-V271 HydrophobicContact CB-CG1 4.49Å; W241-V271 HydrophobicContact CD2-CB 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.56Å; W241-V271 HydrophobicContact CE3-CG1 3.82Å; W241-V271 HydrophobicContact CG-CB 4.19Å; W241-V271 HydrophobicContact CG-CG1 3.89Å; W241-V271 HydrophobicContact CH2-CG1 4.3Å; W241-V271 HydrophobicContact CZ2-CG1 4.12Å; W241-V271 HydrophobicContact CZ3-CG1 4.19Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.34Å; V271-Y281 HydrophobicContact CG2-CE1 3.99Å
272	V	96.8	Very high	95.5	Very high	74 Å²	74	39.5 Å²	39.5	45%	0.448	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.8	170.9	-178.4	0	0	0	0	108.1	E222	E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.32Å
273	V	95.9	Very high	95.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.4	-175.9	-51.8	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.45Å; A223-V273 HydrophobicContact CB-CG2 4.35Å; A223-V273 PolarHBondContact N-O 2.86Å; A223-V273 WeakPolarHBondContact O-CG2 3.38Å; A223-V273 PolarHBondContact O-N 3.4Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.02Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å
274	P	95.3	Very high	96.1	Very high	46 Å²	46	34 Å²	34	30%	0.299	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.2	170.5	-20	32.2	0	0	0	111	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; P274-G276 PolarHBondContact O-N 2.84Å; P274-Q277 HydrophobicContact CB-CB 4.38Å; P274-Q277 HydrophobicContact CB-CG 4.14Å; P274-Q277 WeakPolarHBondContact O-CB 3.34Å; P274-Q277 PolarHBondContact O-N 2.64Å
275	S	91.1	Very high	96.1	Very high	52 Å²	52	33.4 Å²	33.4	36%	0.364	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	132.3	177.2	-61.2	0	0	0	0	111.4	H221 E222 Q277 E278	H221-S275 PolarHBondContact O-N 2.85Å; H221-S275 PolarHBondContact O-OG 3.3Å; E222-S275 PolarHBondContact N-OG 3.06Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å
276	G	89.7	Confident	96.1	Very high	67 Å²	67	35.8 Å²	35.8	69%	0.691	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-3.7	-176.8	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 2.84Å; G276-E278 WeakPolarHBondContact CA-OE2 3.33Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.23Å; G276-E278 PolarHBondContact N-OE2 2.69Å
277	Q	94	Very high	96	Very high	65 Å²	65	34.1 Å²	34.1	30%	0.304	19%	0.187	S	C	.	.			trans	-104	5.8	175.6	-59.9	-167.1	38.6	0	0	113.3	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.38Å; P274-Q277 HydrophobicContact CB-CG 4.14Å; P274-Q277 WeakPolarHBondContact O-CB 3.34Å; P274-Q277 PolarHBondContact O-N 2.64Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 3.19Å; Q277-Q279 VanDerWaalsContact O-N 3.1Å; Q277-R280 WeakPolarHBondContact O-CB 3.39Å; Q277-R280 PolarHBondContact O-N 3.23Å; Q277-Y281 HydrophobicContact CB-CE2 4.45Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.39Å
278	E	93.8	Very high	95.7	Very high	17 Å²	17	36.4 Å²	36.4	8%	0.079	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-55.9	-35.1	-173.9	-58.2	79.8	-175.6	0	0	112.2	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.06Å; L225-E278 HydrophobicContact CD1-CG 4.43Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.26Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å; G276-E278 WeakPolarHBondContact CA-OE2 3.33Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.23Å; G276-E278 PolarHBondContact N-OE2 2.69Å; E278-R280 PolarHBondContact O-N 3.06Å; E278-Y281 PolarHBondContact O-N 3.35Å; E278-Y281 VanDerWaalsContact O-N 3.13Å; E278-W298 HydrophobicContact CB-CD2 4.3Å; E278-W298 HydrophobicContact CB-CE3 3.38Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	93.4	Very high	95.5	Very high	97 Å²	97	36 Å²	36	45%	0.453	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-69	-17.8	-179.7	-64.1	-57.2	-43.1	0	0	114.4	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 3.19Å; Q277-Q279 VanDerWaalsContact O-N 3.1Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-W298 PolarHBondContact NE2-O 3.44Å
280	R	95.7	Very high	95.3	Very high	109 Å²	109	37.2 Å²	37.2	41%	0.411	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-77.8	-15.5	174.8	-63.6	175.3	68.4	-177.8	7.9	112.1	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.3Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 2.84Å; D244-R280 WeakPolarHBondContact OD1-CB 3.48Å; D244-R280 IonicContact OD1-NE 3.48Å; D244-R280 PolarHBondContact OD1-NE 3.08Å; D244-R280 IonicContact OD2-CZ 3.33Å; D244-R280 IonicContact OD2-NE 2.61Å; D244-R280 PolarHBondContact OD2-NE 3.22Å; D244-R280 IonicContact OD2-NH2 3.07Å; D244-R280 PolarHBondContact OD2-NH2 3.06Å; Q277-R280 WeakPolarHBondContact O-CB 3.39Å; Q277-R280 PolarHBondContact O-N 3.23Å; E278-R280 PolarHBondContact O-N 3.06Å
281	Y	96.8	Very high	95.1	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.3	-177.7	-68.8	-101.7	0	0	0	111.1	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; R243-Y281 HydrophobicContact CB-CD1 4.09Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 WeakPolarHBondContact CD-OH 3.5Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.15Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.34Å; V271-Y281 HydrophobicContact CG2-CE1 3.99Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å; Q277-Y281 HydrophobicContact CB-CE2 4.45Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E278-Y281 PolarHBondContact O-N 3.35Å; E278-Y281 VanDerWaalsContact O-N 3.13Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	97.6	Very high	94.9	Very high	10 Å²	10	51.1 Å²	51.1	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136	175.8	46.1	0	0	0	0	110.3	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.11Å; Q242-T282 PolarHBondContact N-O 3.29Å; Q242-T282 PolarHBondContact O-N 2.91Å; T282-H284 PolarHBondContact OG1-NE2 3.25Å; T282-T295 HydrophobicContact CG2-CG2 3.9Å; T282-L296 WeakPolarHBondContact CA-O 3.3Å; T282-R297 HydrophobicContact CG2-CG 3.54Å; T282-R297 VanDerWaalsContact CG2-NE 3.32Å
283	C	97.9	Very high	94.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.6	168.8	173.2	0	0	0	0	109.3	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 3.62Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.17Å; C227-C283 WeakPolarHBondContact SG-CB 3.3Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.9Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.31Å; W241-C283 HydrophobicContact CD2-CB 4.21Å; W241-C283 HydrophobicContact CE3-CB 4.16Å; W241-C283 HydrophobicContact CH2-CB 4.18Å; W241-C283 HydrophobicContact CZ2-CB 4.18Å; W241-C283 HydrophobicContact CZ3-CB 4.14Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.31Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.25Å; C283-L296 PolarHBondContact O-N 2.82Å
284	H	97.6	Very high	94.9	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.148	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130	177.1	-63.4	-103.7	0	0	0	109.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.42Å; T240-H284 PolarHBondContact N-O 3.23Å; T240-H284 PolarHBondContact O-N 3.22Å; Q242-H284 PolarHBondContact OE1-NE2 3.28Å; T282-H284 PolarHBondContact OG1-NE2 3.25Å; H284-L294 WeakPolarHBondContact CA-O 3.08Å; H284-T295 PolarHBondContact CE1-OG1 3.26Å; H284-T295 PolarHBondContact ND1-OG1 3.47Å
285	V	97.9	Very high	95	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.6	-178.6	-174.9	0	0	0	0	108.9	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.22Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; V285-P293 WeakPolarHBondContact O-CA 3.41Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.79Å; V285-L294 PolarHBondContact O-N 3.25Å; V285-L296 HydrophobicContact CG2-CD1 3.84Å
286	Q	97.5	Very high	95.2	Very high	76 Å²	76	55.1 Å²	55.1	36%	0.355	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.1	173.8	-52.8	-177.4	14.3	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; T238-Q286 PolarHBondContact N-O 3.14Å; T238-Q286 PolarHBondContact O-N 3.1Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.11Å
287	H	95.9	Very high	95.4	Very high	12 Å²	12	59.3 Å²	59.3	6%	0.056	30%	0.295	C	S	.	.			trans	-156.3	146.9	-179	-174	-98.7	0	0	0	108.7	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.48Å; D207-H287 VanDerWaalsContact O-CE1 3.24Å; P209-H287 HydrophobicContact CG-CB 4.03Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.67Å; Y233-H287 PolarHBondContact O-CE1 3.4Å; P234-H287 PolarHBondContact O-NE2 2.94Å; E236-H287 PolarHBondContact O-CD2 2.86Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.17Å; H287-G289 PolarHBondContact O-N 3.09Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.06Å; H287-L290 PolarHBondContact O-N 2.9Å
288	E	92.4	Very high	95.3	Very high	70 Å²	70	58.4 Å²	58.4	33%	0.327	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.5	-179	-171	-176.6	169.8	0	0	113.1	W23 T206 L290	W23-E288 HydrophobicContact CB-CG 4.42Å; W23-E288 HydrophobicContact CE3-CB 4.18Å; T206-E288 HydrophobicContact CG2-CG 4.07Å; E288-L290 PolarHBondContact O-N 3.32Å
289	G	92.7	Very high	94.9	Very high	17 Å²	17	65.5 Å²	65.5	18%	0.175	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-7.9	176.7	0	0	0	0	0	114.1	A208 H287	A208-G289 WeakPolarHBondContact CB-O 3.4Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.17Å; H287-G289 PolarHBondContact O-N 3.09Å
290	L	95	Very high	94.2	Very high	25 Å²	25	64.6 Å²	64.6	13%	0.131	33%	0.325	C	S	.	.			trans	-96.4	125.5	176.9	-65.9	170.5	0	0	0	110.8	A208 P209 V285 H287 E288 K292 L294	A208-L290 HydrophobicContact CB-CD2 4Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.16Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.06Å; H287-L290 PolarHBondContact O-N 2.9Å; E288-L290 PolarHBondContact O-N 3.32Å; L290-K292 WeakPolarHBondContact CB-O 3.25Å; L290-K292 PolarHBondContact O-N 3.43Å; L290-L294 HydrophobicContact CD1-CB 4.48Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.61Å; L290-L294 HydrophobicContact CD2-CD2 4.47Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; L290-L294 HydrophobicContact CG-CD1 4.44Å; L290-L294 HydrophobicContact CG-CG 4.45Å
291	P	92.9	Very high	92.6	Very high	133 Å²	133	64.4 Å²	64.4	86%	0.864	34%	0.34	S	S	*	.	S	Bend	trans	-65.1	-24.3	177.4	27.2	-35	0	0	0	112.5
292	K	93.4	Very high	90.3	Very high	163 Å²	163	69.5 Å²	69.5	71%	0.709	38%	0.377	S	S	*	.	S	Bend	trans	-147.2	149.2	173.1	-63.6	-176.1	-177.2	176.7	0	109	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.25Å; L290-K292 PolarHBondContact O-N 3.43Å; K292-L294 PolarHBondContact O-N 2.97Å
293	P	95.6	Very high	87.8	Confident	79 Å²	79	76.8 Å²	76.8	51%	0.513	41%	0.41	S	S	.	.			trans	-50.7	137.1	171.7	-29	36.8	0	0	0	112.3	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.41Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.11Å
294	L	96.5	Very high	85.2	Confident	61 Å²	61	81.8 Å²	81.8	32%	0.319	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	144	174.2	-65.3	177.2	0	0	0	109.9	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.28Å; H284-L294 WeakPolarHBondContact CA-O 3.08Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.79Å; V285-L294 PolarHBondContact O-N 3.25Å; L290-L294 HydrophobicContact CD1-CB 4.48Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.61Å; L290-L294 HydrophobicContact CD2-CD2 4.47Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; L290-L294 HydrophobicContact CG-CD1 4.44Å; L290-L294 HydrophobicContact CG-CG 4.45Å; K292-L294 PolarHBondContact O-N 2.97Å
295	T	97	Very high	83	Confident	82 Å²	82	86.6 Å²	86.6	50%	0.503	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116	170.6	-57	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.9Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.31Å; H284-T295 PolarHBondContact CE1-OG1 3.26Å; H284-T295 PolarHBondContact ND1-OG1 3.47Å
296	L	95.8	Very high	80.9	Confident	35 Å²	35	91.4 Å²	91.4	18%	0.183	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.4	-177.2	-62.8	147.7	0	0	0	108.9	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.08Å; M213-L296 HydrophobicContact CE-CB 4Å; M213-L296 WeakPolarHBondContact CE-O 3.38Å; M213-L296 HydrophobicContact CG-CB 4.47Å; M213-L296 HydrophobicContact SD-CB 3.76Å; T282-L296 WeakPolarHBondContact CA-O 3.3Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.25Å; C283-L296 PolarHBondContact O-N 2.82Å; V285-L296 HydrophobicContact CG2-CD1 3.84Å
297	R	94.2	Very high	79	Confident	155 Å²	155	91.9 Å²	91.9	59%	0.585	51%	0.509	S	S	*	.			trans	-123	149.2	167.4	-73.3	-175.8	179.2	160.3	0	108.5	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.54Å; T282-R297 VanDerWaalsContact CG2-NE 3.32Å; R297-E299 PolarHBondContact O-N 3.17Å
298	W	92.5	Very high	77.3	Confident	46 Å²	46	96.7 Å²	96.7	17%	0.174	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-69.4	122.7	176.6	172.1	66.1	0	0	0	109.3	M213 H215 L225 E278 Q279 P300	M213-W298 HydrophobicContact SD-CB 4.27Å; M213-W298 PolarHBondContact SD-N 3.43Å; H215-W298 HydrophobicContact CB-CD2 4.4Å; H215-W298 HydrophobicContact CB-CG 4.48Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CD2-CE2 3.97Å; H215-W298 AromaticContact CD2-CZ2 3.85Å; H215-W298 AromaticContact CG-CE2 3.86Å; H215-W298 AromaticContact CG-CZ2 3.77Å; L225-W298 HydrophobicContact CD1-CB 4.37Å; L225-W298 HydrophobicContact CD2-CB 3.96Å; L225-W298 HydrophobicContact CD2-CD2 4.28Å; L225-W298 HydrophobicContact CD2-CG 3.87Å; E278-W298 HydrophobicContact CB-CD2 4.3Å; E278-W298 HydrophobicContact CB-CE3 3.38Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 3.44Å; W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.12Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 4.12Å; W298-P300 HydrophobicContact CZ2-CG 4.18Å; W298-P300 HydrophobicContact CZ3-CG 3.91Å
299	E	84.9	Confident	75.7	Confident	166 Å²	166	99 Å²	99	78%	0.776	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-103.5	124	169.6	-74	-178.3	175.9	0	0	108.7	R297 S301	R297-E299 PolarHBondContact O-N 3.17Å; E299-S301 PolarHBondContact O-N 2.93Å
300	P	78.4	Confident	74.5	Confident	78 Å²	78	100.3 Å²	100.3	51%	0.506	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-57	129.5	171.3	-18.5	28.6	0	0	0	108.9	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.12Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 4.12Å; W298-P300 HydrophobicContact CZ2-CG 4.18Å; W298-P300 HydrophobicContact CZ3-CG 3.91Å; P300-S302 PolarHBondContact O-N 3.44Å
301	S	63.3	Low	73.4	Confident	105 Å²	105	103.4 Å²	103.4	73%	0.734	58%	0.582	S	S	*	*			trans	-59	111	178.5	55.2	0	0	0	0	109.5	E299 Q303	E299-S301 PolarHBondContact O-N 2.93Å; S301-Q303 PolarHBondContact O-N 3.12Å
302	S	47.4	Very low	72.4	Confident	114 Å²	114	101.7 Å²	101.7	80%	0.797	56%	0.564	S	S	*	*			trans	-75.9	63.7	167.1	61.6	0	0	0	0	108.5	P300 P304	P300-S302 PolarHBondContact O-N 3.44Å; S302-P304 WeakPolarHBondContact O-CD 3.4Å
303	Q	45.3	Very low	71.5	Confident	163 Å²	163	96.2 Å²	96.2	76%	0.762	55%	0.55	S	S	*	.			trans	-71.7	111.3	155.3	-82.9	-170.1	-23.1	0	0	105.3	S301 T305	S301-Q303 PolarHBondContact O-N 3.12Å; Q303-T305 PolarHBondContact O-N 2.89Å
304	P	43.8	Very low	70.7	Confident	106 Å²	106	94.2 Å²	94.2	69%	0.688	54%	0.543	S	S	*	.			trans	-58.4	116.8	165	24.7	-29.6	0	0	0	105.2	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.4Å; P304-I306 PolarHBondContact O-N 3.21Å
305	T	50.7	Low	70.1	Confident	132 Å²	132	96.9 Å²	96.9	81%	0.81	56%	0.557	S	S	*	*			trans	-61.1	84.9	160.9	-40.7	0	0	0	0	104.9	Q303 P307	Q303-T305 PolarHBondContact O-N 2.89Å; T305-P307 VanDerWaalsContact O-CD 3.32Å; T305-P307 WeakPolarHBondContact O-CD 3.46Å
306	I	54.3	Low	69.4	Low	102 Å²	102	97.7 Å²	97.7	52%	0.523	56%	0.562	S	S	.	*			trans	-50.6	120	166.5	-63.4	175	0	0	0	102.9	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.21Å; I306-I308 HydrophobicContact CG2-CG1 4.43Å; I306-I308 WeakPolarHBondContact O-CG1 3.39Å; I306-I308 PolarHBondContact O-N 2.88Å; I306-I311 HydrophobicContact CG2-CD1 3.69Å
307	P	56.6	Low	68.6	Low	85 Å²	85	101.9 Å²	101.9	55%	0.552	58%	0.584	S	S	*	*			trans	-73.4	79.4	-176.1	29.5	-32.5	0	0	0	106.5	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.32Å; T305-P307 WeakPolarHBondContact O-CD 3.46Å; P307-V309 PolarHBondContact O-N 2.82Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.3Å; P307-G310 PolarHBondContact O-N 2.9Å; P307-I311 PolarHBondContact O-N 2.92Å
308	I	60.7	Low	67.9	Low	113 Å²	113	101 Å²	101	58%	0.579	59%	0.585	S	S	*	*	H	α-helix	trans	-54.6	-34.7	178.4	-68.5	167.9	0	0	0	108.3	I306 I311 I312	I306-I308 HydrophobicContact CG2-CG1 4.43Å; I306-I308 WeakPolarHBondContact O-CG1 3.39Å; I306-I308 PolarHBondContact O-N 2.88Å; I308-I311 PolarHBondContact O-N 3.43Å; I308-I312 HydrophobicContact CG2-CD1 3.68Å; I308-I312 HydrophobicContact CG2-CG1 4.36Å; I308-I312 WeakPolarHBondContact O-CB 3.42Å; I308-I312 WeakPolarHBondContact O-CD1 3.2Å; I308-I312 WeakPolarHBondContact O-CG1 3.48Å; I308-I312 PolarHBondContact O-N 2.98Å
309	V	58.9	Low	67.3	Low	119 Å²	119	100.9 Å²	100.9	72%	0.721	60%	0.597	S	S	*	*	H	α-helix	trans	-62.8	-41.1	173	-176.1	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 2.82Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.29Å; V309-A313 WeakPolarHBondContact O-CB 3.41Å; V309-A313 PolarHBondContact O-N 2.69Å
310	G	66.5	Low	66.9	Low	45 Å²	45	96 Å²	96	46%	0.464	59%	0.585	S	S	.	*	H	α-helix	trans	-69.4	-37.6	178.2	0	0	0	0	0	112.8	P307 G314	P307-G310 WeakPolarHBondContact O-CA 3.3Å; P307-G310 PolarHBondContact O-N 2.9Å; G310-G314 PolarHBondContact O-N 2.88Å
311	I	72	Confident	67	Low	90 Å²	90	98.1 Å²	98.1	46%	0.462	59%	0.59	S	S	.	*	H	α-helix	trans	-69	-43.1	175.5	-62.2	173.5	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.69Å; P307-I311 PolarHBondContact O-N 2.92Å; I308-I311 PolarHBondContact O-N 3.43Å; I311-G314 PolarHBondContact O-N 3.42Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.3Å
312	I	72.9	Confident	67.6	Low	96 Å²	96	99.9 Å²	99.9	49%	0.492	58%	0.584	S	S	.	*	H	α-helix	trans	-64	-46.7	176.6	-68.7	168	0	0	0	110.7	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.68Å; I308-I312 HydrophobicContact CG2-CG1 4.36Å; I308-I312 WeakPolarHBondContact O-CB 3.42Å; I308-I312 WeakPolarHBondContact O-CD1 3.2Å; I308-I312 WeakPolarHBondContact O-CG1 3.48Å; I308-I312 PolarHBondContact O-N 2.98Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 2.71Å; I312-L315 PolarHBondContact O-N 2.9Å; I312-V316 HydrophobicContact CG2-CG2 4.37Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.3Å; I312-V316 PolarHBondContact O-N 2.85Å
313	A	73.9	Confident	69	Low	49 Å²	49	97.1 Å²	97.1	41%	0.405	57%	0.568	S	S	.	*	H	α-helix	trans	-60.6	-42.1	176.6	0	0	0	0	0	111.7	V309 V316 L317	V309-A313 VanDerWaalsContact O-CB 3.29Å; V309-A313 WeakPolarHBondContact O-CB 3.41Å; V309-A313 PolarHBondContact O-N 2.69Å; A313-V316 PolarHBondContact O-N 3.12Å; A313-L317 WeakPolarHBondContact O-CB 3.23Å; A313-L317 WeakPolarHBondContact O-CG 3.38Å; A313-L317 PolarHBondContact O-N 3.09Å
314	G	79.5	Confident	70.4	Confident	36 Å²	36	91.3 Å²	91.3	37%	0.371	55%	0.553	S	S	.	*	H	α-helix	trans	-60.6	-47.4	175	0	0	0	0	0	112.7	G310 I311 I312 L317 F318	G310-G314 PolarHBondContact O-N 2.88Å; I311-G314 PolarHBondContact O-N 3.42Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 2.71Å; G314-L317 PolarHBondContact O-N 3.47Å; G314-F318 WeakPolarHBondContact O-CB 3.36Å; G314-F318 PolarHBondContact O-N 3.31Å
315	L	83.8	Confident	72	Confident	118 Å²	118	89.2 Å²	89.2	62%	0.618	54%	0.544	S	S	*	.	H	α-helix	trans	-65.2	-39.1	178.7	-75.3	169.8	0	0	0	112.7	I311 I312 F318 G319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.3Å; I312-L315 PolarHBondContact O-N 2.9Å; L315-F318 PolarHBondContact O-N 3.06Å; L315-G319 PolarHBondContact O-N 3.46Å
316	V	81.8	Confident	73.2	Confident	99 Å²	99	86.7 Å²	86.7	60%	0.6	53%	0.529	S	S	*	.	H	α-helix	trans	-64.8	-44.8	176.4	171	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.37Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.3Å; I312-V316 PolarHBondContact O-N 2.85Å; A313-V316 PolarHBondContact O-N 3.12Å; V316-G319 PolarHBondContact O-N 2.98Å; V316-A320 WeakPolarHBondContact O-CB 3.35Å; V316-A320 PolarHBondContact O-N 3.37Å
317	L	80	Confident	74.3	Confident	123 Å²	123	86.4 Å²	86.4	64%	0.644	53%	0.531	S	S	*	.	H	α-helix	trans	-64.1	-42.1	176.5	-73.5	169.8	0	0	0	111.8	A313 G314 A320 M321	A313-L317 WeakPolarHBondContact O-CB 3.23Å; A313-L317 WeakPolarHBondContact O-CG 3.38Å; A313-L317 PolarHBondContact O-N 3.09Å; G314-L317 PolarHBondContact O-N 3.47Å; L317-A320 PolarHBondContact O-N 3.03Å; L317-M321 WeakPolarHBondContact O-CB 3.19Å; L317-M321 PolarHBondContact O-N 3.29Å
318	F	78.8	Confident	75.1	Confident	137 Å²	137	85.1 Å²	85.1	60%	0.601	53%	0.528	S	S	*	.	H	α-helix	trans	-65.1	-43.1	177.8	-138.4	-90	0	0	0	111.6	G314 L315 M321 F322	G314-F318 WeakPolarHBondContact O-CB 3.36Å; G314-F318 PolarHBondContact O-N 3.31Å; L315-F318 PolarHBondContact O-N 3.06Å; F318-M321 HydrophobicContact CD2-CE 4.34Å; F318-M321 PolarHBondContact O-N 2.94Å; F318-F322 PolarHBondContact O-N 3.17Å
319	G	78.9	Confident	75.7	Confident	42 Å²	42	82.3 Å²	82.3	43%	0.433	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-43.5	175.4	0	0	0	0	0	112.8	L315 V316 M321 F322 A323	L315-G319 PolarHBondContact O-N 3.46Å; V316-G319 PolarHBondContact O-N 2.98Å; G319-M321 PolarHBondContact O-N 2.89Å; G319-F322 PolarHBondContact O-N 3.45Å; G319-A323 WeakPolarHBondContact O-CB 3.45Å; G319-A323 PolarHBondContact O-N 3.34Å
320	A	78.4	Confident	76.4	Confident	63 Å²	63	80.5 Å²	80.5	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-63.9	-40.2	176.7	0	0	0	0	0	112.2	V316 L317 A323 G324	V316-A320 WeakPolarHBondContact O-CB 3.35Å; V316-A320 PolarHBondContact O-N 3.37Å; L317-A320 PolarHBondContact O-N 3.03Å; A320-A323 PolarHBondContact O-N 3.14Å; A320-G324 PolarHBondContact O-N 3.45Å
321	M	79.4	Confident	76.6	Confident	123 Å²	123	87.7 Å²	87.7	61%	0.606	52%	0.524	S	S	*	.	H	α-helix	trans	-65.4	-42.6	177	-162.2	-175.2	-15.4	0	0	111.6	L317 F318 G319 G324 A325	L317-M321 WeakPolarHBondContact O-CB 3.19Å; L317-M321 PolarHBondContact O-N 3.29Å; F318-M321 HydrophobicContact CD2-CE 4.34Å; F318-M321 PolarHBondContact O-N 2.94Å; G319-M321 PolarHBondContact O-N 2.89Å; M321-G324 PolarHBondContact O-N 3.13Å; M321-A325 WeakPolarHBondContact O-CB 3.38Å; M321-A325 PolarHBondContact O-N 2.95Å
322	F	76.4	Confident	76.5	Confident	142 Å²	142	93.1 Å²	93.1	62%	0.623	54%	0.539	S	S	*	.	H	α-helix	trans	-65.9	-43.9	177.7	-132.8	-91	0	0	0	111.6	F318 G319 G324 A325 V326	F318-F322 PolarHBondContact O-N 3.17Å; G319-F322 PolarHBondContact O-N 3.45Å; F322-G324 VanDerWaalsContact C-N 3.35Å; F322-G324 PolarHBondContact O-N 3.02Å; F322-A325 PolarHBondContact O-N 2.84Å; F322-V326 HydrophobicContact CD1-CG2 4.37Å; F322-V326 VanDerWaalsContact O-CG2 3.3Å; F322-V326 WeakPolarHBondContact O-CG2 3.36Å; F322-V326 PolarHBondContact O-N 3.39Å
323	A	75.7	Confident	76.2	Confident	56 Å²	56	98.1 Å²	98.1	46%	0.463	55%	0.551	S	S	.	*	H	α-helix	trans	-61.2	-43.5	174.8	0	0	0	0	0	111.7	G319 A320 A325 V326 V327	G319-A323 WeakPolarHBondContact O-CB 3.45Å; G319-A323 PolarHBondContact O-N 3.34Å; A320-A323 PolarHBondContact O-N 3.14Å; A323-A325 PolarHBondContact O-N 3.2Å; A323-V326 PolarHBondContact O-N 2.92Å; A323-V327 VanDerWaalsContact O-CG2 3.3Å; A323-V327 WeakPolarHBondContact O-CG2 3.47Å; A323-V327 PolarHBondContact O-N 3.26Å
324	G	75.4	Confident	75.6	Confident	42 Å²	42	105 Å²	105	43%	0.433	57%	0.567	S	S	.	*	H	α-helix	trans	-60	-44.6	175	0	0	0	0	0	112.9	A320 M321 F322 V327 A328	A320-G324 PolarHBondContact O-N 3.45Å; M321-G324 PolarHBondContact O-N 3.13Å; F322-G324 VanDerWaalsContact C-N 3.35Å; F322-G324 PolarHBondContact O-N 3.02Å; G324-V327 PolarHBondContact O-N 3.01Å; G324-A328 WeakPolarHBondContact O-CB 3.3Å; G324-A328 PolarHBondContact O-N 3.41Å
325	A	76.6	Confident	74.4	Confident	62 Å²	62	111.6 Å²	111.6	51%	0.512	59%	0.585	S	S	.	*	H	α-helix	trans	-64.2	-42	177.2	0	0	0	0	0	112.4	M321 F322 A323 A328 A329	M321-A325 WeakPolarHBondContact O-CB 3.38Å; M321-A325 PolarHBondContact O-N 2.95Å; F322-A325 PolarHBondContact O-N 2.84Å; A323-A325 PolarHBondContact O-N 3.2Å; A325-A328 PolarHBondContact O-N 2.71Å; A325-A329 WeakPolarHBondContact O-CB 3.44Å; A325-A329 PolarHBondContact O-N 3.07Å
326	V	77.3	Confident	72.9	Confident	79 Å²	79	109.4 Å²	109.4	48%	0.479	58%	0.58	S	S	.	*	H	α-helix	trans	-63.6	-45	176.2	171.6	0	0	0	0	110.9	F322 A323 A328 A329 V330	F322-V326 HydrophobicContact CD1-CG2 4.37Å; F322-V326 VanDerWaalsContact O-CG2 3.3Å; F322-V326 WeakPolarHBondContact O-CG2 3.36Å; F322-V326 PolarHBondContact O-N 3.39Å; A323-V326 PolarHBondContact O-N 2.92Å; V326-A328 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 2.72Å; V326-A329 PolarHBondContact O-N 2.96Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.41Å; V326-V330 VanDerWaalsContact O-CG2 3.3Å; V326-V330 WeakPolarHBondContact O-CG2 3.46Å; V326-V330 PolarHBondContact O-N 3.25Å
327	V	76.4	Confident	71.5	Confident	95 Å²	95	108.5 Å²	108.5	58%	0.576	58%	0.578	S	S	*	*	H	α-helix	trans	-62.2	-42.6	176.9	171.8	0	0	0	0	111	A323 G324 V330 R331	A323-V327 VanDerWaalsContact O-CG2 3.3Å; A323-V327 WeakPolarHBondContact O-CG2 3.47Å; A323-V327 PolarHBondContact O-N 3.26Å; G324-V327 PolarHBondContact O-N 3.01Å; V327-V330 PolarHBondContact O-N 3.11Å; V327-R331 VanDerWaalsContact O-CB 3.3Å; V327-R331 WeakPolarHBondContact O-CB 3.42Å; V327-R331 PolarHBondContact O-N 3.23Å
328	A	73.2	Confident	69.9	Low	58 Å²	58	110 Å²	110	48%	0.479	59%	0.586	S	S	.	*	H	α-helix	trans	-63.1	-43.5	176	0	0	0	0	0	112.1	G324 A325 V326 R331 W332	G324-A328 WeakPolarHBondContact O-CB 3.3Å; G324-A328 PolarHBondContact O-N 3.41Å; A325-A328 PolarHBondContact O-N 2.71Å; V326-A328 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 2.72Å; A328-R331 PolarHBondContact O-N 3.35Å; A328-W332 WeakPolarHBondContact O-CB 3.24Å; A328-W332 PolarHBondContact O-N 3.35Å
329	A	73.1	Confident	68.4	Low	55 Å²	55	114.1 Å²	114.1	46%	0.455	60%	0.598	S	S	.	*	H	α-helix	trans	-65.2	-41.8	177.7	0	0	0	0	0	112.5	A325 V326 R331 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.44Å; A325-A329 PolarHBondContact O-N 3.07Å; V326-A329 PolarHBondContact O-N 2.96Å; A329-R331 VanDerWaalsContact C-N 3.35Å; A329-W332 PolarHBondContact O-N 3.48Å; A329-R333 PolarHBondContact O-N 2.75Å
330	V	73.4	Confident	66.4	Low	81 Å²	81	121.9 Å²	121.9	49%	0.491	62%	0.62	S	S	.	*	H	α-helix	trans	-64.4	-41	175.1	170.5	0	0	0	0	110.8	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.41Å; V326-V330 VanDerWaalsContact O-CG2 3.3Å; V326-V330 WeakPolarHBondContact O-CG2 3.46Å; V326-V330 PolarHBondContact O-N 3.25Å; V327-V330 PolarHBondContact O-N 3.11Å; V330-R333 PolarHBondContact O-N 2.75Å; V330-R334 PolarHBondContact O-N 3.32Å
331	R	71.3	Confident	64.4	Low	196 Å²	196	122.9 Å²	122.9	74%	0.74	64%	0.636	S	S	*	*	H	α-helix	trans	-68.2	-35.9	178	-154.5	175.8	177.2	124.2	0.1	111.8	V327 A328 A329 K335	V327-R331 VanDerWaalsContact O-CB 3.3Å; V327-R331 WeakPolarHBondContact O-CB 3.42Å; V327-R331 PolarHBondContact O-N 3.23Å; A328-R331 PolarHBondContact O-N 3.35Å; A329-R331 VanDerWaalsContact C-N 3.35Å; R331-K335 WeakPolarHBondContact O-CB 2.89Å; R331-K335 PolarHBondContact O-N 2.98Å; R331-K335 VanDerWaalsContact O-N 3.08Å
332	W	70.3	Confident	62.1	Low	203 Å²	203	120.9 Å²	120.9	77%	0.769	65%	0.647	S	S	*	*	H	α-helix	trans	-64.3	-48	170.3	-164.6	-28.5	0	0	0	110.7	A328 A329 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.24Å; A328-W332 PolarHBondContact O-N 3.35Å; A329-W332 PolarHBondContact O-N 3.48Å; W332-R334 VanDerWaalsContact C-N 3.33Å; W332-R334 PolarHBondContact O-N 2.88Å; W332-K335 CarbonylContact O-C 3.57Å; W332-K335 WeakPolarHBondContact O-CA 3.49Å; W332-K335 PolarHBondContact O-N 2.87Å; W332-S336 PolarHBondContact O-N 2.83Å; W332-S336 PolarHBondContact O-OG 3.09Å
333	R	65.9	Low	60	Low	201 Å²	201	120 Å²	120	76%	0.758	66%	0.659	S	S	*	*	H	α-helix	trans	-56.6	-44.2	176.8	-94	-168.3	-177.2	-177.4	2.8	112.6	A329 V330 K335 S336 S337	A329-R333 PolarHBondContact O-N 2.75Å; V330-R333 PolarHBondContact O-N 2.75Å; R333-K335 VanDerWaalsContact C-N 3.32Å; R333-K335 PolarHBondContact O-N 2.74Å; R333-S336 WeakPolarHBondContact CA-OG 3.03Å; R333-S336 PolarHBondContact O-N 3.25Å; R333-S336 PolarHBondContact O-OG 2.91Å; R333-S337 PolarHBondContact O-N 3.25Å; R333-S337 PolarHBondContact O-OG 2.92Å
334	R	61	Low	58.1	Low	193 Å²	193	127.9 Å²	127.9	73%	0.728	68%	0.678	S	S	*	*	H	α-helix	trans	-61.5	-37.7	174.3	-94.4	-174.2	175.6	170.8	-0.3	112.7	V330 W332 S336 S337	V330-R334 PolarHBondContact O-N 3.32Å; W332-R334 VanDerWaalsContact C-N 3.33Å; W332-R334 PolarHBondContact O-N 2.88Å; R334-S336 VanDerWaalsContact C-N 3.34Å; R334-S337 PolarHBondContact O-OG 3.27Å
335	K	55.2	Low	56.1	Low	175 Å²	175	132 Å²	132	76%	0.761	70%	0.701	S	S	*	*	H	α-helix	trans	-73.5	-24.8	177.4	-158.7	175.1	-177.6	-177.9	0	112.9	R331 W332 R333	R331-K335 WeakPolarHBondContact O-CB 2.89Å; R331-K335 PolarHBondContact O-N 2.98Å; R331-K335 VanDerWaalsContact O-N 3.08Å; W332-K335 CarbonylContact O-C 3.57Å; W332-K335 WeakPolarHBondContact O-CA 3.49Å; W332-K335 PolarHBondContact O-N 2.87Å; R333-K335 VanDerWaalsContact C-N 3.32Å; R333-K335 PolarHBondContact O-N 2.74Å
336	S	53	Low	54.1	Low	72 Å²	72	138.1 Å²	138.1	50%	0.503	72%	0.718	S	S	.	*	H	α-helix	trans	-85.2	-22.8	174.8	55.7	0	0	0	0	114.4	W332 R333 R334	W332-S336 PolarHBondContact O-N 2.83Å; W332-S336 PolarHBondContact O-OG 3.09Å; R333-S336 WeakPolarHBondContact CA-OG 3.03Å; R333-S336 PolarHBondContact O-N 3.25Å; R333-S336 PolarHBondContact O-OG 2.91Å; R334-S336 VanDerWaalsContact C-N 3.34Å
337	S	52.1	Low	51.9	Low	81 Å²	81	138.8 Å²	138.8	57%	0.566	73%	0.732	S	S	*	*	H	α-helix	trans	-78.6	-20.3	177.2	56.3	0	0	0	0	113.8	R333 R334 R339	R333-S337 PolarHBondContact O-N 3.25Å; R333-S337 PolarHBondContact O-OG 2.92Å; R334-S337 PolarHBondContact O-OG 3.27Å; S337-R339 PolarHBondContact O-N 3.35Å
338	D	47	Very low	49.8	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	4.3	177.6	-105.9	-3.7	0	0	0	114.4
339	R	46.4	Very low	48	Very low	224 Å²	224	141.4 Å²	141.4	85%	0.845	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	3.4	-173.2	-143.8	177.6	-179	169	1.2	116.8	S337	S337-R339 PolarHBondContact O-N 3.35Å
340	K	37.4	Very low	46.2	Very low	205 Å²	205	144.5 Å²	144.5	89%	0.891	78%	0.776	S	S	*	*			trans	-146.5	94	172.5	-84.2	-172	174.8	176.2	0	112.4
341	G	35	Very low	44.5	Very low	84 Å²	84	148.2 Å²	148.2	87%	0.866	79%	0.792	S	S	*	*			trans	-88.2	146.1	159.5	0	0	0	0	0	112
342	G	32.5	Very low	43.2	Very low	81 Å²	81	145 Å²	145	84%	0.835	80%	0.8	S	S	*	*			trans	98.4	107.7	148.8	0	0	0	0	0	118.6
343	S	32.4	Very low	41.7	Very low	125 Å²	125	139.8 Å²	139.8	87%	0.874	80%	0.8	S	S	*	*				165.3	142.7	106	-169	0	0	0	0	112.4
344	Y	34.7	Very low	40.4	Very low	220 Å²	220	139.9 Å²	139.9	86%	0.863	81%	0.809	S	S	*	*			trans	-70.3	152.1	-179.3	-87	-103.7	0	0	0	114.3
345	S	34.5	Very low	39.1	Very low	129 Å²	129	133.7 Å²	133.7	90%	0.902	81%	0.806	S	S	*	*				-171.7	156.2	121.1	19	0	0	0	0	113.1
346	Q	33.1	Very low	38.4	Very low	190 Å²	190	130.8 Å²	130.8	89%	0.888	81%	0.807	S	S	*	*			trans	-100.5	148.5	-164	176.7	-177.4	6.5	0	0	111.2
347	A	32	Very low	37.7	Very low	93 Å²	93	133.7 Å²	133.7	77%	0.769	82%	0.817	S	S	*	*				152.6	136.9	124.4	0	0	0	0	0	115.8
348	A	33	Very low	36.8	Very low	92 Å²	92	137 Å²	137	76%	0.76	83%	0.826	S	S	*	*			trans	58.8	114.3	144.6	0	0	0	0	0	120.7
349	S	34	Very low	36.3	Very low	117 Å²	117	134 Å²	134	82%	0.818	82%	0.817	S	S	*	*				78.2	115.2	76.1	119.1	0	0	0	0	114.8
350	S	36.1	Very low	36	Very low	120 Å²	120	131 Å²	131	84%	0.839	82%	0.816	S	S	*	*			trans	-159.5	117.6	133.6	47.8	0	0	0	0	110.7
351	D	38.5	Very low	36	Very low	158 Å²	158	127.3 Å²	127.3	85%	0.845	81%	0.811	S	S	*	*			trans	-76.9	152.6	162.5	-95.5	-37.4	0	0	0	110.5
352	S	42.3	Very low	36.1	Very low	128 Å²	128	127.6 Å²	127.6	90%	0.895	81%	0.805	S	S	*	*			trans	-154.7	114	144.5	-60.3	0	0	0	0	109.2
353	A	40.4	Very low	36.4	Very low	94 Å²	94	129.9 Å²	129.9	78%	0.777	81%	0.807	S	S	*	*			trans	-93.7	156.9	-179.6	0	0	0	0	0	112.4
354	Q	38.5	Very low	36.7	Very low	204 Å²	204	133.3 Å²	133.3	95%	0.953	81%	0.806	S	S	*	*			trans	178.2	126.1	143.9	-104.5	172.4	-4.4	0	0	106.3
355	G	33.8	Very low	37.1	Very low	63 Å²	63	133 Å²	133	65%	0.649	83%	0.827	S	S	*	*			cis	145.6	118.8	6.9	0	0	0	0	0	108.2
356	S	40.3	Very low	37.2	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	82%	0.823	S	S	*	*			trans	53	143.9	147.4	50.2	0	0	0	0	119.9
357	D	37.3	Very low	37.4	Very low	134 Å²	134	130.2 Å²	130.2	72%	0.717	82%	0.82	S	S	*	*			cis	-173.9	158.5	24.6	-127.9	-11.9	0	0	0	112.1
358	M	33.8	Very low	37.7	Very low	151 Å²	151	132.3 Å²	132.3	74%	0.744	82%	0.822	S	S	*	*			trans	69.8	117.4	136.7	-68.3	-94.6	176.5	0	0	124.5
359	S	37.1	Very low	38	Very low	90 Å²	90	134.6 Å²	134.6	63%	0.629	83%	0.826	S	S	*	*				95.9	115.4	120.1	-61	0	0	0	0	122.8
360	L	38.7	Very low	38.3	Very low	159 Å²	159	135.8 Å²	135.8	83%	0.832	83%	0.827	S	S	*	*				27.2	134.5	127	-65.7	156.9	0	0	0	117.5
361	T	38	Very low	38.4	Very low	129 Å²	129	136.8 Å²	136.8	79%	0.791	83%	0.826	S	S	*	*				179.3	151.8	63.9	-36.4	0	0	0	0	110.8
362	A	37.9	Very low	38.4	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	82%	0.824	S	S	*	*			trans	70	115.7	140.9	0	0	0	0	0	123.9
363	C	38.8	Very low	38.1	Very low	128 Å²	128	135.8 Å²	135.8	87%	0.865	82%	0.819	S	S	*	*			trans	-6.9	147.4	136.2	-69.9	0	0	0	0	121.7
364	K	38.3	Very low	37.9	Very low	197 Å²	197	139.3 Å²	139.3	86%	0.857	82%	0.822	S	S	*	*			trans	104.2	108.1	133.4	-137	175.9	-169.8	177.3	0	116.6
365	V	42.8	Very low	37.9	Very low	214 Å²	214	133.5 Å²	133.5	100%	1.297	81%	0.811	S	S	*	*				-141.2	0	101.7	173.1	0	0	0	0	107.8

Retrieved 365 of 365 residues in 138.5 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).