A0A090CXP3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A090CXP3, 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	34.4	Very low	40.3	Very low	239 Å²	239	128.5 Å²	128.5	100%	1.177	72%	0.716	S	S	*	*				0	94.3	0	-91	175.2	-89.1	0	0	107.8
2	A	34	Very low	40.5	Very low	104 Å²	104	129.2 Å²	129.2	86%	0.86	72%	0.716	S	S	*	*			trans	-86.7	110.4	173	0	0	0	0	0	107.1	M4	A2-M4 PolarHBondContact O-N 3.18Å; A2-M4 VanDerWaalsContact O-N 3.09Å
3	V	35.9	Very low	40.4	Very low	144 Å²	144	126.8 Å²	126.8	87%	0.873	70%	0.7	S	S	*	*			trans	-71.9	102.6	175.1	178.9	0	0	0	0	106.9	A5	V3-A5 PolarHBondContact O-N 3.18Å
4	M	39	Very low	40.3	Very low	160 Å²	160	121.9 Å²	121.9	79%	0.788	68%	0.68	S	S	*	*			trans	-75.3	105.5	175.3	-165.3	169.6	63.5	0	0	107.5	A2	A2-M4 PolarHBondContact O-N 3.18Å; A2-M4 VanDerWaalsContact O-N 3.09Å
5	A	40.1	Very low	40.4	Very low	66 Å²	66	116.1 Å²	116.1	55%	0.545	66%	0.658	S	S	.	*			trans	-58.8	146.7	175.3	0	0	0	0	0	110.5	V3 R7	V3-A5 PolarHBondContact O-N 3.18Å; A5-R7 PolarHBondContact O-N 2.86Å
6	P	40.6	Very low	40.5	Very low	80 Å²	80	111.7 Å²	111.7	52%	0.519	64%	0.641	S	S	.	*			trans	-65.6	123.7	-176.1	-11.2	25.7	0	0	0	109.8	T8 L9	P6-T8 PolarHBondContact O-N 2.79Å; P6-L9 PolarHBondContact O-N 2.65Å
7	R	45.6	Very low	40.3	Very low	200 Å²	200	111.4 Å²	111.4	76%	0.755	64%	0.636	S	S	*	*	H	α-helix	trans	-56	-18.4	179	-77	178.3	165.4	149.7	-4.2	113.9	A5 L11	A5-R7 PolarHBondContact O-N 2.86Å; R7-L11 PolarHBondContact O-N 2.7Å
8	T	45.2	Very low	40.1	Very low	99 Å²	99	108.2 Å²	108.2	61%	0.607	63%	0.625	S	S	*	*	H	α-helix	trans	-71.8	-35.5	175.4	40.5	0	0	0	0	113.4	P6 V10 L11 L12	P6-T8 PolarHBondContact O-N 2.79Å; T8-V10 VanDerWaalsContact C-N 3.33Å; T8-V10 PolarHBondContact O-N 3.03Å; T8-L11 PolarHBondContact O-N 2.92Å; T8-L12 PolarHBondContact O-N 2.86Å
9	L	41.1	Very low	40	Very low	111 Å²	111	107.5 Å²	107.5	58%	0.581	62%	0.619	S	S	*	*	H	α-helix	trans	-69.5	-34.6	177.9	-141.4	94.7	0	0	0	111.4	P6 L13	P6-L9 PolarHBondContact O-N 2.65Å; L9-L13 HydrophobicContact CD2-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 3.3Å
10	V	43.1	Very low	40	Very low	85 Å²	85	105.7 Å²	105.7	52%	0.515	61%	0.609	S	S	.	*	H	α-helix	trans	-67.3	-37.7	179.2	178.9	0	0	0	0	111.2	T8 S14	T8-V10 VanDerWaalsContact C-N 3.33Å; T8-V10 PolarHBondContact O-N 3.03Å; V10-S14 WeakPolarHBondContact O-CB 3.32Å; V10-S14 PolarHBondContact O-N 3.29Å; V10-S14 PolarHBondContact O-OG 2.99Å
11	L	44.7	Very low	39.9	Very low	125 Å²	125	108.7 Å²	108.7	65%	0.654	62%	0.618	S	S	*	*	H	α-helix	trans	-71	-38.8	-179.8	-76.8	163	0	0	0	113.1	R7 T8 S14 G15	R7-L11 PolarHBondContact O-N 2.7Å; T8-L11 PolarHBondContact O-N 2.92Å; L11-S14 PolarHBondContact O-N 2.98Å; L11-G15 PolarHBondContact O-N 2.92Å
12	L	43	Very low	40.3	Very low	137 Å²	137	101.9 Å²	101.9	72%	0.717	59%	0.59	S	S	*	*	H	α-helix	trans	-68	-41.5	175.8	-74.8	165.1	0	0	0	111.9	T8 S14 G15 A16	T8-L12 PolarHBondContact O-N 2.86Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.43Å; L12-G15 PolarHBondContact O-N 3.12Å; L12-A16 PolarHBondContact O-N 3.05Å
13	L	38.4	Very low	41	Very low	98 Å²	98	101.6 Å²	101.6	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-64.6	-34.4	172.7	-77.6	161.4	0	0	0	112	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 3.3Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.08Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.27Å
14	S	39.4	Very low	42	Very low	59 Å²	59	97.8 Å²	97.8	41%	0.413	55%	0.55	S	S	.	.	H	α-helix	trans	-68.5	-39.4	176	-55	0	0	0	0	112.2	V10 L11 L12 A18	V10-S14 WeakPolarHBondContact O-CB 3.32Å; V10-S14 PolarHBondContact O-N 3.29Å; V10-S14 PolarHBondContact O-OG 2.99Å; L11-S14 PolarHBondContact O-N 2.98Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.43Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.01Å
15	G	41.7	Very low	43.8	Very low	34 Å²	34	91.1 Å²	91.1	35%	0.351	52%	0.523	S	S	.	.	H	α-helix	trans	-66.4	-45.3	175.7	0	0	0	0	0	112.2	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.92Å; L12-G15 PolarHBondContact O-N 3.12Å; G15-A18 PolarHBondContact O-N 3.49Å; G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.48Å; G15-L19 PolarHBondContact O-N 3.4Å
16	A	41.8	Very low	46.3	Very low	46 Å²	46	90.6 Å²	90.6	38%	0.38	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-40.7	175.9	0	0	0	0	0	112.4	L12 L19 T20	L12-A16 PolarHBondContact O-N 3.05Å; A16-L19 CarbonylContact O-C 3.55Å; A16-L19 PolarHBondContact O-N 2.96Å; A16-T20 WeakPolarHBondContact O-CG2 3.24Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.04Å
17	L	37.1	Very low	48.9	Very low	106 Å²	106	88.3 Å²	88.3	56%	0.555	50%	0.497	S	S	*	.	H	α-helix	trans	-67.1	-40.9	176	-80.9	160.7	0	0	0	112.1	L13 L19 T20 Q21	L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.08Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.27Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.19Å; L17-T20 WeakPolarHBondContact CA-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.23Å; L17-T20 PolarHBondContact O-OG1 2.91Å; L17-Q21 WeakPolarHBondContact O-CB 3.42Å; L17-Q21 PolarHBondContact O-N 3.03Å
18	A	36.8	Very low	51.3	Low	54 Å²	54	79.9 Å²	79.9	45%	0.446	47%	0.469	S	S	.	.	H	α-helix	trans	-60.4	-43.3	174.2	0	0	0	0	0	111.2	S14 G15 T20 Q21 T22	S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.01Å; G15-A18 PolarHBondContact O-N 3.49Å; A18-T20 VanDerWaalsContact C-N 3.28Å; A18-T20 PolarHBondContact O-N 3Å; A18-Q21 PolarHBondContact O-N 2.86Å; A18-T22 WeakPolarHBondContact O-CG2 3.29Å; A18-T22 PolarHBondContact O-N 2.99Å; A18-T22 VanDerWaalsContact O-N 3.13Å; A18-T22 PolarHBondContact O-OG1 3.37Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å
19	L	37.9	Very low	53.9	Low	96 Å²	96	75.4 Å²	75.4	50%	0.503	44%	0.441	S	S	.	.	H	α-helix	trans	-70.3	-13.1	172.9	-96.4	134.1	0	0	0	114.5	G15 A16 L17 W23	G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.48Å; G15-L19 PolarHBondContact O-N 3.4Å; A16-L19 CarbonylContact O-C 3.55Å; A16-L19 PolarHBondContact O-N 2.96Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.19Å; L19-W23 HydrophobicContact CD2-CZ2 4.2Å; L19-W23 PolarHBondContact O-NE1 2.95Å
20	T	40.4	Very low	56.6	Low	71 Å²	71	72.4 Å²	72.4	44%	0.436	42%	0.422	S	S	.	.	H	α-helix	trans	-92.5	-28.3	169.7	54.4	0	0	0	0	112.2	A16 L17 A18	A16-T20 WeakPolarHBondContact O-CG2 3.24Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.04Å; L17-T20 WeakPolarHBondContact CA-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.23Å; L17-T20 PolarHBondContact O-OG1 2.91Å; A18-T20 VanDerWaalsContact C-N 3.28Å; A18-T20 PolarHBondContact O-N 3Å
21	Q	37.5	Very low	59.3	Low	168 Å²	168	69.4 Å²	69.4	79%	0.785	40%	0.402	S	S	*	.	H	α-helix	trans	-87.4	-20.6	-173.9	-147	169.6	23.3	0	0	113	L17 A18	L17-Q21 WeakPolarHBondContact O-CB 3.42Å; L17-Q21 PolarHBondContact O-N 3.03Å; A18-Q21 PolarHBondContact O-N 2.86Å
22	T	43	Very low	61.8	Low	96 Å²	96	67.4 Å²	67.4	59%	0.589	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.7	177.5	51.9	0	0	0	0	114.7	A18	A18-T22 WeakPolarHBondContact O-CG2 3.29Å; A18-T22 PolarHBondContact O-N 2.99Å; A18-T22 VanDerWaalsContact O-N 3.13Å; A18-T22 PolarHBondContact O-OG1 3.37Å; A18-T22 VanDerWaalsContact O-OG1 3.1Å
23	W	49.4	Very low	64.5	Low	99 Å²	99	61 Å²	61	38%	0.375	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-33.2	-167.6	-64.9	72.8	0	0	0	114	L19 G25 E236	L19-W23 HydrophobicContact CD2-CZ2 4.2Å; L19-W23 PolarHBondContact O-NE1 2.95Å; W23-G25 PolarHBondContact O-N 2.83Å; W23-E236 HydrophobicContact CD2-CG 4.32Å; W23-E236 HydrophobicContact CE3-CB 3.99Å; W23-E236 HydrophobicContact CE3-CG 3.47Å; W23-E236 VanDerWaalsContact CE3-CG 3.47Å; W23-E236 HydrophobicContact CH2-CG 3.49Å; W23-E236 VanDerWaalsContact CH2-CG 3.49Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.38Å; W23-E236 WeakPolarHBondContact CH2-OE2 3.17Å; W23-E236 HydrophobicContact CZ2-CG 4.33Å; W23-E236 HydrophobicContact CZ3-CB 3.7Å; W23-E236 HydrophobicContact CZ3-CG 3.04Å; W23-E236 WeakPolarHBondContact CZ3-OE2 3.05Å
24	A	56.9	Low	67.4	Low	63 Å²	63	58.5 Å²	58.5	52%	0.521	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	104.4	179.5	0	0	0	0	0	110.7
25	G	76.5	Confident	70.2	Confident	21 Å²	21	55.8 Å²	55.8	22%	0.216	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	13.8	166	0	0	0	0	0	117.4	W23 G128 S129	W23-G25 PolarHBondContact O-N 2.83Å; G25-G128 CarbonylContact O-C 3.59Å; G25-S129 WeakPolarHBondContact O-CA 3.48Å; G25-S129 VanDerWaalsContact O-CB 3.3Å; G25-S129 WeakPolarHBondContact O-CB 3.39Å; G25-S129 PolarHBondContact O-N 2.61Å
26	S	91.3	Very high	72.9	Confident	55 Å²	55	56.4 Å²	56.4	39%	0.385	32%	0.322	S	S	.	.			trans	-82.5	145.8	163.5	61.8	0	0	0	0	110.6	V127	S26-V127 WeakPolarHBondContact CA-O 3.33Å
27	H	95.5	Very high	75.5	Confident	32 Å²	32	55 Å²	55	15%	0.148	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.6	178.7	-65.7	-77.6	0	0	0	111.3	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.22Å; H27-D53 IonicContact CE1-OD2 3.8Å; H27-D53 IonicContact CG-OD2 3.79Å; H27-D53 IonicContact ND1-OD1 2.8Å; H27-D53 IonicContact ND1-OD2 3.38Å; H27-D53 PolarHBondContact ND1-OD2 3.48Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.12Å; H27-V127 HydrophobicContact CB-CG2 3.95Å; H27-V127 PolarHBondContact N-O 2.85Å; H27-V127 PolarHBondContact O-N 2.88Å; H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L192 HydrophobicContact CB-CD2 4.49Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.4Å
28	S	97.6	Very high	78.3	Confident	23 Å²	23	53.1 Å²	53.1	16%	0.161	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150	179.5	66.3	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; S28-D53 PolarHBondContact N-OD1 2.74Å; S28-D53 PolarHBondContact O-N 2.79Å; S28-D53 PolarHBondContact OG-OD1 3.36Å; S28-C125 WeakPolarHBondContact CA-O 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.43Å
29	M	98.5	Very high	81	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.02	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.4	166.4	-175.2	169.2	63.1	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.09Å; M29-Y31 HydrophobicContact CG-CE2 3.94Å; M29-Y31 HydrophobicContact SD-CE2 3.95Å; M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 WeakPolarHBondContact CA-O 3.29Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact CG-CZ 4.5Å; M29-F57 HydrophobicContact SD-CZ 4.22Å; M29-G124 CarbonylContact O-C 3.6Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; M29-C125 PolarHBondContact N-O 3.04Å; M29-C125 PolarHBondContact O-N 3.49Å; M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.24Å; M29-C188 VanDerWaalsContact CE-SG 3.54Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.17Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.43Å; M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	83.5	Confident	48 Å²	48	52.8 Å²	52.8	18%	0.181	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.5	-176.1	-56.6	-62.8	-179	73.6	4.6	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 4.01Å; R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.37Å; R30-Y51 PolarHBondContact N-O 2.94Å; R30-Y51 PolarHBondContact O-N 3.26Å; R30-D126 IonicContact CZ-OD1 3.38Å; R30-D126 IonicContact NE-OD1 4Å; R30-D126 PolarHBondContact NE-OD1 2.91Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.7Å; R30-D126 PolarHBondContact NH2-OD1 3.05Å; R30-D126 IonicContact NH2-OD2 3.98Å; R30-D126 PolarHBondContact NH2-OD2 3.16Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.33Å; R30-Y137 PolarHBondContact NH2-OH 2.95Å
31	Y	98.6	Very high	85.9	Confident	22 Å²	22	59.7 Å²	59.7	9%	0.086	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139	170.6	-67.7	-90.9	0	0	0	109.4	M29 V49 F57 V58 M122 F123	M29-Y31 HydrophobicContact CE-CE2 4.09Å; M29-Y31 HydrophobicContact CG-CE2 3.94Å; M29-Y31 HydrophobicContact SD-CE2 3.95Å; Y31-V49 WeakPolarHBondContact CA-O 3.43Å; Y31-F57 AromaticContact CE1-CZ 3.91Å; Y31-F57 HydrophobicContact CE1-CZ 3.91Å; Y31-F57 AromaticContact CZ-CZ 3.71Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.28Å; Y31-V58 HydrophobicContact CE1-CG2 3.96Å; Y31-M122 WeakPolarHBondContact O-CA 3.38Å; Y31-F123 HydrophobicContact CD2-CD2 4.45Å; Y31-F123 HydrophobicContact CD2-CE1 4.4Å; Y31-F123 AromaticContact CD2-CE2 3.75Å; Y31-F123 HydrophobicContact CD2-CE2 3.75Å; Y31-F123 AromaticContact CD2-CZ 3.73Å; Y31-F123 HydrophobicContact CD2-CZ 3.73Å; Y31-F123 HydrophobicContact CE2-CE2 4.45Å; Y31-F123 HydrophobicContact CG-CE1 4.07Å; Y31-F123 HydrophobicContact CG-CE2 4.22Å; Y31-F123 AromaticContact CG-CZ 3.72Å; Y31-F123 HydrophobicContact CG-CZ 3.72Å; Y31-F123 PolarHBondContact N-O 3.06Å; Y31-F123 PolarHBondContact O-N 2.81Å
32	F	98.8	Very high	88.4	Confident	83 Å²	83	54.6 Å²	54.6	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.4	176.4	-56.8	-97.1	0	0	0	108.6	R30 A48 V49 Y51 M121 M122	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 4.01Å; F32-A48 CarbonylContact O-C 3.54Å; F32-A48 VanDerWaalsContact O-CA 3.25Å; F32-A48 WeakPolarHBondContact O-CA 3.5Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.35Å; F32-V49 PolarHBondContact N-O 3.08Å; F32-V49 PolarHBondContact O-N 3.4Å; F32-Y51 HydrophobicContact CD2-CD2 4.21Å; F32-Y51 HydrophobicContact CE2-CD2 4.24Å; F32-M121 WeakPolarHBondContact CA-O 3.41Å; F32-M122 HydrophobicContact CD1-CB 3.86Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 3.94Å
33	S	98.6	Very high	90.9	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.028	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.2	168.7	67.4	0	0	0	0	111.1	I47 H94 Q120 M121	S33-I47 CarbonylContact C-O 3.57Å; S33-I47 VanDerWaalsContact CA-O 3.26Å; S33-I47 WeakPolarHBondContact CA-O 3.27Å; S33-H94 PolarHBondContact OG-NE2 2.92Å; S33-Q120 WeakPolarHBondContact O-CA 3.17Å; S33-M121 PolarHBondContact N-O 2.93Å; S33-M121 PolarHBondContact O-N 3.38Å; S33-M121 VanDerWaalsContact O-N 3.08Å; S33-M121 WeakPolarHBondContact OG-CB 3.35Å
34	T	98.8	Very high	93.1	Very high	45 Å²	45	51.2 Å²	51.2	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	124.2	175.1	-59.2	0	0	0	0	109.4	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.01Å; T34-F46 WeakPolarHBondContact O-CA 3.27Å; T34-I47 PolarHBondContact N-O 3.49Å; T34-I47 PolarHBondContact O-N 2.92Å; T34-T118 HydrophobicContact CG2-CG2 3.83Å; T34-L119 WeakPolarHBondContact CA-O 3.48Å; T34-Q120 HydrophobicContact CG2-CG 4.04Å
35	S	98.6	Very high	95.1	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.8	-179.3	-65.9	0	0	0	0	109.5	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.42Å; S35-R45 VanDerWaalsContact CA-O 3.32Å; S35-R45 WeakPolarHBondContact CA-O 3.24Å; S35-F46 WeakPolarHBondContact OG-CD2 3.34Å; S35-D98 VanDerWaalsContact OG-CB 3.23Å; S35-D98 WeakPolarHBondContact OG-CB 3.41Å; S35-D98 PolarHBondContact OG-OD2 3.49Å; S35-T118 CarbonylContact O-C 3.49Å; S35-T118 WeakPolarHBondContact O-CA 3.43Å; S35-L119 PolarHBondContact N-O 3.3Å; S35-L119 PolarHBondContact O-N 3.13Å
36	V	98.4	Very high	96.2	Very high	47 Å²	47	51 Å²	51	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.1	-178.3	-173.5	0	0	0	0	109.1	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 4.01Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.35Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; V36-R45 PolarHBondContact N-O 3.02Å; V36-R45 PolarHBondContact O-N 3.43Å; V36-T118 HydrophobicContact CG2-CG2 4.19Å
37	S	97.5	Very high	96.5	Very high	15 Å²	15	50.3 Å²	50.3	11%	0.105	28%	0.275	C	S	.	.			trans	-68.7	143.9	174	56	0	0	0	0	111.3	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.17Å; S37-S116 PolarHBondContact O-OG 3.29Å; S37-H117 PolarHBondContact N-O 2.95Å; S37-H117 WeakPolarHBondContact OG-CA 3.31Å; S37-H117 PolarHBondContact OG-N 3.36Å; S37-H117 PolarHBondContact OG-O 3.1Å
38	R	95.8	Very high	96.7	Very high	68 Å²	68	49.4 Å²	49.4	26%	0.257	27%	0.273	S	S	.	.			trans	-135.3	74.7	-173.9	-58.3	165.6	173.2	-175.2	-15.8	110.8	G40 R41 D63	R38-G40 PolarHBondContact O-N 3.46Å; R38-R41 HydrophobicContact CB-CB 4.04Å; R38-R41 PolarHBondContact O-N 3.39Å; R38-D63 IonicContact CZ-OD2 2.79Å; R38-D63 VanDerWaalsContact CZ-OD2 3.3Å; R38-D63 IonicContact NH1-OD1 3.65Å; R38-D63 PolarHBondContact NH1-OD1 2.89Å; R38-D63 IonicContact NH1-OD2 3.76Å; R38-D63 PolarHBondContact NH1-OD2 2.95Å; R38-D63 IonicContact NH2-OD2 3.83Å; R38-D63 PolarHBondContact NH2-OD2 3.37Å
39	P	92.1	Very high	96.7	Very high	53 Å²	53	49.6 Å²	49.6	34%	0.344	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	128.1	-178.3	-27.7	35.1	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.43Å; P39-E113 VanDerWaalsContact CB-O 3.27Å; P39-E113 WeakPolarHBondContact CB-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.39Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å
40	G	90.3	Very high	96.7	Very high	90 Å²	90	49.4 Å²	49.4	93%	0.928	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	4.7	-179.1	0	0	0	0	0	116.1	R38	R38-G40 PolarHBondContact O-N 3.46Å
41	R	91.8	Very high	96.7	Very high	215 Å²	215	50.5 Å²	50.5	81%	0.811	28%	0.277	S	S	*	.	S	Bend	trans	-125.5	25.3	-179.8	-56.4	-176.1	-179.6	-173.4	0.3	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.04Å; R38-R41 PolarHBondContact O-N 3.39Å; P39-R41 PolarHBondContact O-N 3.43Å
42	G	90.8	Very high	96.7	Very high	61 Å²	61	49.4 Å²	49.4	63%	0.629	27%	0.273	S	S	*	.	S	Bend	trans	95.9	-157.1	178	0	0	0	0	0	113.8
43	E	94	Very high	96.5	Very high	100 Å²	100	46.9 Å²	46.9	47%	0.467	26%	0.263	S	S	.	.	S	Bend	trans	-70	156.2	-179.6	-67.2	-65.9	173.9	0	0	111.9	R45 R99	E43-R45 PolarHBondContact O-N 2.98Å; E43-R99 IonicContact OE1-NH1 2.93Å; E43-R99 PolarHBondContact OE1-NH1 3.5Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-NE 3.58Å; E43-R99 IonicContact OE2-NH1 3.81Å; E43-R99 PolarHBondContact OE2-NH1 3.18Å
44	P	96.9	Very high	96.3	Very high	25 Å²	25	49.7 Å²	49.7	16%	0.162	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-54.5	136.2	171.3	-23.8	34.2	0	0	0	111	V36 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.35Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; P44-R99 HydrophobicContact CG-CG 4.22Å; P44-L102 HydrophobicContact CB-CD1 3.8Å; P44-L102 HydrophobicContact CG-CD1 3.88Å
45	R	98.1	Very high	96.2	Very high	76 Å²	76	48.6 Å²	48.6	29%	0.287	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.4	169.1	169.6	175.4	-170.1	-174.5	9.9	109.5	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.42Å; S35-R45 VanDerWaalsContact CA-O 3.32Å; S35-R45 WeakPolarHBondContact CA-O 3.24Å; V36-R45 PolarHBondContact N-O 3.02Å; V36-R45 PolarHBondContact O-N 3.43Å; E43-R45 PolarHBondContact O-N 2.98Å; R45-I47 HydrophobicContact CG-CD1 4.49Å; R45-I47 HydrophobicContact CG-CG1 4.05Å; R45-D61 IonicContact CZ-OD1 3.07Å; R45-D61 IonicContact CZ-OD2 2.75Å; R45-D61 IonicContact NE-OD1 2.68Å; R45-D61 PolarHBondContact NE-OD1 3.31Å; R45-D61 IonicContact NE-OD2 3.88Å; R45-D61 IonicContact NH2-OD1 2.69Å; R45-D61 PolarHBondContact NH2-OD1 2.95Å; R45-D61 IonicContact NH2-OD2 3.35Å; R45-D61 PolarHBondContact NH2-OD2 3.48Å; R45-S62 WeakPolarHBondContact CA-OG 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.26Å; R45-D63 IonicContact NE-OD2 3.51Å
46	F	98.6	Very high	96.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.2	177	-177.5	-86.7	0	0	0	109.2	T34 S35 A48 F60 S62 V91 H94 S95 D98	T34-F46 WeakPolarHBondContact O-CA 3.27Å; S35-F46 WeakPolarHBondContact OG-CD2 3.34Å; F46-A48 HydrophobicContact CE1-CB 3.58Å; F46-A48 HydrophobicContact CZ-CB 3.99Å; F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.83Å; F46-F60 HydrophobicContact CD1-CE1 3.83Å; F46-F60 HydrophobicContact CE1-CD1 4.1Å; F46-S62 PolarHBondContact N-OG 3.4Å; F46-S62 PolarHBondContact O-N 3.33Å; F46-S62 PolarHBondContact O-OG 2.97Å; F46-V91 HydrophobicContact CD1-CG2 4.49Å; F46-V91 HydrophobicContact CE1-CG2 3.6Å; F46-V91 HydrophobicContact CZ-CG2 4.35Å; F46-H94 AromaticContact CE2-CD2 3.32Å; F46-H94 WeakPolarHBondContact CE2-CD2 3.39Å; F46-H94 AromaticContact CE2-NE2 3.73Å; F46-H94 HydrophobicContact CZ-CB 4.48Å; F46-H94 AromaticContact CZ-CD2 3.38Å; F46-H94 WeakPolarHBondContact CZ-CD2 3.34Å; F46-H94 AromaticContact CZ-NE2 3.78Å; F46-S95 VanDerWaalsContact CB-OG 3.28Å; F46-S95 WeakPolarHBondContact CB-OG 3.22Å; F46-S95 VanDerWaalsContact CG-CB 3.5Å; F46-S95 WeakPolarHBondContact CG-OG 3.12Å; F46-D98 HydrophobicContact CD2-CB 4.24Å; F46-D98 HydrophobicContact CE2-CB 4.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.29Å
47	I	98.7	Very high	96.1	Very high	42 Å²	42	48.7 Å²	48.7	22%	0.215	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.3	171.6	-58.5	172.9	0	0	0	107.2	S33 T34 R45 V49 F60	S33-I47 CarbonylContact C-O 3.57Å; S33-I47 VanDerWaalsContact CA-O 3.26Å; S33-I47 WeakPolarHBondContact CA-O 3.27Å; T34-I47 PolarHBondContact N-O 3.49Å; T34-I47 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CD1 4.49Å; R45-I47 HydrophobicContact CG-CG1 4.05Å; I47-V49 HydrophobicContact CG2-CG1 4.43Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å
48	A	98.7	Very high	96.1	Very high	13 Å²	13	48 Å²	48	11%	0.107	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.5	168.7	0	0	0	0	0	110.8	F32 F46 R59 F60 V91	F32-A48 CarbonylContact O-C 3.54Å; F32-A48 VanDerWaalsContact O-CA 3.25Å; F32-A48 WeakPolarHBondContact O-CA 3.5Å; F46-A48 HydrophobicContact CE1-CB 3.58Å; F46-A48 HydrophobicContact CZ-CB 3.99Å; A48-R59 CarbonylContact O-C 3.59Å; A48-R59 WeakPolarHBondContact O-CA 3.42Å; A48-F60 HydrophobicContact CB-CB 4.41Å; A48-F60 PolarHBondContact N-O 2.9Å; A48-F60 PolarHBondContact O-N 3.38Å; A48-V91 HydrophobicContact CB-CG2 3.85Å
49	V	98.8	Very high	96.2	Very high	26 Å²	26	48 Å²	48	16%	0.158	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.9	177.5	-63.8	0	0	0	0	109.7	Y31 F32 I47 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.43Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.35Å; F32-V49 PolarHBondContact N-O 3.08Å; F32-V49 PolarHBondContact O-N 3.4Å; I47-V49 HydrophobicContact CG2-CG1 4.43Å; V49-Y51 HydrophobicContact CB-CE2 4.05Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.78Å; V49-V58 WeakPolarHBondContact CA-O 3.34Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.18Å
50	G	98.6	Very high	96.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139	176	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.37Å; G50-Q56 WeakPolarHBondContact O-CA 3.45Å; G50-Q56 WeakPolarHBondContact O-CG 3.36Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 3.46Å; G50-V58 PolarHBondContact N-O 3.43Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 2.64Å
51	Y	98.4	Very high	96.9	Very high	71 Å²	71	42.4 Å²	42.4	28%	0.278	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.8	178.4	-73.9	-102	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 WeakPolarHBondContact CA-O 3.29Å; R30-Y51 PolarHBondContact N-O 2.94Å; R30-Y51 PolarHBondContact O-N 3.26Å; F32-Y51 HydrophobicContact CD2-CD2 4.21Å; F32-Y51 HydrophobicContact CE2-CD2 4.24Å; V49-Y51 HydrophobicContact CB-CE2 4.05Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.78Å; Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.44Å; Y51-Q56 HydrophobicContact CE1-CB 3.5Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.18Å; Y51-Q56 HydrophobicContact CE2-CG 3.96Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.9	156.3	177.3	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 3.38Å; V52-T55 PolarHBondContact N-O 2.95Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 2.9Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 3.98Å; V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V52-Y195 HydrophobicContact CG2-CD2 4.12Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	95.4	Very high	97.5	Very high	29 Å²	29	34.3 Å²	34.3	16%	0.155	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-123.4	-166.8	-54.7	-39.1	0	0	0	110.5	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.22Å; H27-D53 IonicContact CE1-OD2 3.8Å; H27-D53 IonicContact CG-OD2 3.79Å; H27-D53 IonicContact ND1-OD1 2.8Å; H27-D53 IonicContact ND1-OD2 3.38Å; H27-D53 PolarHBondContact ND1-OD2 3.48Å; S28-D53 PolarHBondContact N-OD1 2.74Å; S28-D53 PolarHBondContact O-N 2.79Å; S28-D53 PolarHBondContact OG-OD1 3.36Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	94.6	Very high	97.7	Very high	63 Å²	63	31.1 Å²	31.1	34%	0.337	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	11.8	179.8	-54.6	-59.3	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.38Å; D54-Y233 HydrophobicContact CB-CE2 4.39Å; D54-P234 WeakPolarHBondContact OD2-CB 3.17Å; D54-A235 HydrophobicContact CB-CB 4.1Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 2.93Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.56Å
55	T	95.5	Very high	97.6	Very high	22 Å²	22	35.4 Å²	35.4	14%	0.135	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.8	-175	-58.2	0	0	0	0	111.9	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.95Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 2.9Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.97Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.49Å; T55-Y233 PolarHBondContact OG1-OH 2.89Å; T55-Y233 VanDerWaalsContact OG1-OH 3.07Å
56	Q	97	Very high	97.4	Very high	51 Å²	51	34.5 Å²	34.5	24%	0.238	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.1	174.2	-166.5	-179.9	1.7	0	0	110.2	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.45Å; G50-Q56 WeakPolarHBondContact O-CG 3.36Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.44Å; Y51-Q56 HydrophobicContact CE1-CB 3.5Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.18Å; Y51-Q56 HydrophobicContact CE2-CG 3.96Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 2.94Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.37Å
57	F	97.9	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-21.9	179.7	74.9	-81.7	0	0	0	114.2	M29 Y31 G50 V52 T55 P71 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact CG-CZ 4.5Å; M29-F57 HydrophobicContact SD-CZ 4.22Å; Y31-F57 AromaticContact CE1-CZ 3.91Å; Y31-F57 HydrophobicContact CE1-CZ 3.91Å; Y31-F57 AromaticContact CZ-CZ 3.71Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.28Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 3.46Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 3.98Å; T55-F57 PolarHBondContact O-N 2.97Å; F57-P71 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 3.42Å; F57-A73 HydrophobicContact CB-CB 4.14Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.95Å; F57-W75 HydrophobicContact CD1-CH2 4.11Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.1Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; F57-I76 HydrophobicContact CD2-CB 4.46Å; F57-I76 HydrophobicContact CD2-CD1 4.01Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.37Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.17Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.81Å; F57-Y195 HydrophobicContact CE2-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.99Å; F57-Y195 HydrophobicContact CZ-CE2 3.99Å
58	V	98.4	Very high	97.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.1	176	-72	0	0	0	0	112.8	Y31 V49 G50 Q56 M69 E70 W84	Y31-V58 HydrophobicContact CE1-CG2 3.96Å; V49-V58 WeakPolarHBondContact CA-O 3.34Å; G50-V58 PolarHBondContact N-O 3.43Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 2.64Å; Q56-V58 PolarHBondContact NE2-O 2.94Å; V58-M69 HydrophobicContact CB-CG 4.11Å; V58-M69 HydrophobicContact CB-SD 3.73Å; V58-M69 HydrophobicContact CG1-CG 4.15Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-SD 4.17Å; V58-E70 WeakPolarHBondContact CA-O 3.26Å; V58-W84 HydrophobicContact CG1-CH2 4.18Å; V58-W84 HydrophobicContact CG1-CZ3 3.98Å
59	R	98.5	Very high	97.2	Very high	66 Å²	66	43.2 Å²	43.2	25%	0.249	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143.9	172.8	179.9	173.8	170.5	94.1	6.1	111.2	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.59Å; A48-R59 WeakPolarHBondContact O-CA 3.42Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.18Å; R59-D61 IonicContact NH2-OD2 3.06Å; R59-D61 PolarHBondContact NH2-OD2 2.88Å; R59-M69 VanDerWaalsContact C-SD 3.59Å; R59-E70 PolarHBondContact N-O 3.49Å; R59-E70 PolarHBondContact O-N 3.48Å; R59-R72 HydrophobicContact CB-CG 3.89Å
60	F	98.8	Very high	97.1	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.1	166	178.6	-85.9	0	0	0	110.1	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.83Å; F46-F60 HydrophobicContact CD1-CE1 3.83Å; F46-F60 HydrophobicContact CE1-CD1 4.1Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å; A48-F60 HydrophobicContact CB-CB 4.41Å; A48-F60 PolarHBondContact N-O 2.9Å; A48-F60 PolarHBondContact O-N 3.38Å; F60-Q67 WeakPolarHBondContact CE2-O 3.42Å; F60-R68 WeakPolarHBondContact CD2-O 3.36Å; F60-M69 HydrophobicContact CB-CE 4.28Å; F60-M69 HydrophobicContact CB-SD 3.99Å; F60-V91 HydrophobicContact CB-CG1 4.18Å; F60-V91 HydrophobicContact CB-CG2 3.81Å; F60-V91 HydrophobicContact CD1-CG1 4.38Å; F60-V91 HydrophobicContact CD1-CG2 3.96Å; F60-V91 HydrophobicContact CD2-CB 4.49Å; F60-V91 HydrophobicContact CD2-CG1 3.36Å; F60-V91 HydrophobicContact CD2-CG2 4.29Å; F60-V91 HydrophobicContact CE2-CG1 3.74Å; F60-V91 HydrophobicContact CG-CB 4.43Å; F60-V91 HydrophobicContact CG-CG1 3.72Å; F60-V91 HydrophobicContact CG-CG2 3.76Å; F60-V91 HydrophobicContact CZ-CG1 4.4Å; F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4.18Å
61	D	98.5	Very high	97.1	Very high	21 Å²	21	47 Å²	47	11%	0.112	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121	174.2	-162.6	-29.5	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.07Å; R45-D61 IonicContact CZ-OD2 2.75Å; R45-D61 IonicContact NE-OD1 2.68Å; R45-D61 PolarHBondContact NE-OD1 3.31Å; R45-D61 IonicContact NE-OD2 3.88Å; R45-D61 IonicContact NH2-OD1 2.69Å; R45-D61 PolarHBondContact NH2-OD1 2.95Å; R45-D61 IonicContact NH2-OD2 3.35Å; R45-D61 PolarHBondContact NH2-OD2 3.48Å; R59-D61 IonicContact NH2-OD2 3.06Å; R59-D61 PolarHBondContact NH2-OD2 2.88Å; D61-D63 PolarHBondContact O-N 3.27Å; D61-D63 PolarHBondContact OD1-N 2.86Å; D61-A64 HydrophobicContact CB-CB 4.13Å; D61-A64 WeakPolarHBondContact O-CB 3.32Å; D61-A64 PolarHBondContact O-N 3.41Å; D61-A64 VanDerWaalsContact O-N 3.11Å
62	S	97.9	Very high	97.1	Very high	19 Å²	19	48.5 Å²	48.5	13%	0.133	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.8	-179.2	63.7	0	0	0	0	113.2	R45 F46 A64 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.28Å; F46-S62 PolarHBondContact N-OG 3.4Å; F46-S62 PolarHBondContact O-N 3.33Å; F46-S62 PolarHBondContact O-OG 2.97Å; S62-A64 VanDerWaalsContact C-N 3.33Å; S62-Q67 PolarHBondContact O-NE2 2.96Å
63	D	97.1	Very high	97	Very high	87 Å²	87	48.7 Å²	48.7	47%	0.465	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.8	178.9	-71.2	6	0	0	0	111.9	R38 R45 D61	R38-D63 IonicContact CZ-OD2 2.79Å; R38-D63 VanDerWaalsContact CZ-OD2 3.3Å; R38-D63 IonicContact NH1-OD1 3.65Å; R38-D63 PolarHBondContact NH1-OD1 2.89Å; R38-D63 IonicContact NH1-OD2 3.76Å; R38-D63 PolarHBondContact NH1-OD2 2.95Å; R38-D63 IonicContact NH2-OD2 3.83Å; R38-D63 PolarHBondContact NH2-OD2 3.37Å; R45-D63 WeakPolarHBondContact CD-OD2 3.26Å; R45-D63 IonicContact NE-OD2 3.51Å; D61-D63 PolarHBondContact O-N 3.27Å; D61-D63 PolarHBondContact OD1-N 2.86Å
64	A	96.9	Very high	97	Very high	32 Å²	32	52.1 Å²	52.1	26%	0.264	29%	0.285	S	S	.	.	S	Bend	trans	-72.3	146.3	176.6	0	0	0	0	0	111.5	D61 S62 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.13Å; D61-A64 WeakPolarHBondContact O-CB 3.32Å; D61-A64 PolarHBondContact O-N 3.41Å; D61-A64 VanDerWaalsContact O-N 3.11Å; S62-A64 VanDerWaalsContact C-N 3.33Å; A64-S66 VanDerWaalsContact C-N 3.32Å; A64-S66 PolarHBondContact O-N 2.9Å; A64-Q67 WeakPolarHBondContact O-CG 3.45Å; A64-Q67 PolarHBondContact O-N 3.46Å
65	A	95.9	Very high	97	Very high	115 Å²	115	49.8 Å²	49.8	95%	0.95	27%	0.271	S	S	*	.	S	Bend	trans	-64.1	-33.9	-178.6	0	0	0	0	0	113.6
66	S	93	Very high	97.1	Very high	58 Å²	58	48.8 Å²	48.8	41%	0.406	27%	0.265	S	S	.	.	S	Bend	trans	-71.9	-33.2	178.7	58.6	0	0	0	0	112.2	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.32Å; A64-S66 PolarHBondContact O-N 2.9Å; S66-R68 PolarHBondContact O-N 2.87Å; S66-E70 PolarHBondContact OG-OE1 3.35Å
67	Q	95.6	Very high	97.1	Very high	91 Å²	91	52.3 Å²	52.3	43%	0.425	28%	0.281	S	S	.	.			trans	39.5	49.7	-167.6	-59.6	-172.3	-23.5	0	0	111.7	F60 S62 A64 K92	F60-Q67 WeakPolarHBondContact CE2-O 3.42Å; S62-Q67 PolarHBondContact O-NE2 2.96Å; A64-Q67 WeakPolarHBondContact O-CG 3.45Å; A64-Q67 PolarHBondContact O-N 3.46Å; Q67-K92 WeakPolarHBondContact O-CE 2.94Å; Q67-K92 PolarHBondContact O-NZ 2.95Å
68	R	97.8	Very high	96.9	Very high	134 Å²	134	58 Å²	58	51%	0.506	31%	0.308	S	S	.	.	S	Bend	trans	-122.2	156.5	178.8	-81.7	-173.2	140.4	130.8	-5.1	110.6	F60 S66 E70 D85 T88	F60-R68 WeakPolarHBondContact CD2-O 3.36Å; S66-R68 PolarHBondContact O-N 2.87Å; R68-E70 PolarHBondContact O-N 3.33Å; R68-D85 IonicContact CZ-OD1 3.9Å; R68-D85 IonicContact NE-OD1 3.97Å; R68-D85 IonicContact NH2-OD1 2.97Å; R68-D85 PolarHBondContact NH2-OD1 3.44Å; R68-T88 HydrophobicContact CG-CG2 4.11Å
69	M	98.3	Very high	96.8	Very high	15 Å²	15	58.6 Å²	58.6	7%	0.074	31%	0.311	C	S	.	.			trans	-68.3	127.9	165.8	-171.4	64.1	80.8	0	0	108	V58 R59 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.11Å; V58-M69 HydrophobicContact CB-SD 3.73Å; V58-M69 HydrophobicContact CG1-CG 4.15Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-SD 4.17Å; R59-M69 VanDerWaalsContact C-SD 3.59Å; F60-M69 HydrophobicContact CB-CE 4.28Å; F60-M69 HydrophobicContact CB-SD 3.99Å; M69-W84 HydrophobicContact CB-CE3 4.35Å; M69-W84 HydrophobicContact CG-CE3 4.31Å; M69-W84 HydrophobicContact CG-CZ3 4.08Å; M69-E87 HydrophobicContact CB-CB 4.25Å; M69-E87 HydrophobicContact CG-CB 4.2Å; M69-T88 PolarHBondContact N-OG1 3.33Å; M69-V91 HydrophobicContact CE-CB 3.75Å; M69-V91 HydrophobicContact CE-CG1 3.96Å; M69-V91 HydrophobicContact CE-CG2 3.91Å
70	E	98.1	Very high	96.7	Very high	60 Å²	60	57.2 Å²	57.2	28%	0.28	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.6	-175	-61.9	178.4	172	0	0	111.1	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.26Å; R59-E70 PolarHBondContact N-O 3.49Å; R59-E70 PolarHBondContact O-N 3.48Å; S66-E70 PolarHBondContact OG-OE1 3.35Å; R68-E70 PolarHBondContact O-N 3.33Å; E70-R72 IonicContact OE2-CZ 3.3Å; E70-R72 IonicContact OE2-NH1 2.96Å; E70-R72 PolarHBondContact OE2-NH1 2.86Å; E70-R72 VanDerWaalsContact OE2-NH1 3.12Å; E70-R72 IonicContact OE2-NH2 2.89Å; E70-R72 PolarHBondContact OE2-NH2 2.88Å
71	P	98	Very high	96.7	Very high	44 Å²	44	61.6 Å²	61.6	29%	0.286	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	147.8	174.8	27.8	-34	0	0	0	111.3	F57 I76 E77 W84	F57-P71 CarbonylContact O-C 3.57Å; P71-I76 HydrophobicContact CB-CG2 3.66Å; P71-E77 HydrophobicContact CB-CG 3.76Å; P71-E77 HydrophobicContact CG-CG 4.01Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 3.92Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.19Å; P71-W84 HydrophobicContact CG-CZ2 4.31Å
72	R	97.3	Very high	96.6	Very high	103 Å²	103	68.7 Å²	68.7	39%	0.389	38%	0.378	S	S	.	.			trans	-130.3	0.7	173.8	-65.3	-63.5	-178.5	-94	2.4	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.37Å; F57-R72 PolarHBondContact O-N 3.42Å; R59-R72 HydrophobicContact CB-CG 3.89Å; E70-R72 IonicContact OE2-CZ 3.3Å; E70-R72 IonicContact OE2-NH1 2.96Å; E70-R72 PolarHBondContact OE2-NH1 2.86Å; E70-R72 VanDerWaalsContact OE2-NH1 3.12Å; E70-R72 IonicContact OE2-NH2 2.89Å; E70-R72 PolarHBondContact OE2-NH2 2.88Å
73	A	95.9	Very high	96.6	Very high	4 Å²	4	69 Å²	69	3%	0.033	38%	0.377	C	S	.	.	S	Bend	trans	-137.9	143.2	174	0	0	0	0	0	111	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.14Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.93Å; A73-W75 PolarHBondContact O-N 3.44Å; A73-I76 WeakPolarHBondContact O-CG2 3.49Å; A73-I76 PolarHBondContact O-N 2.89Å
74	P	96	Very high	96.6	Very high	102 Å²	102	66.8 Å²	66.8	66%	0.662	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-58.5	-36.6	-177.1	-26.5	34.9	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 2.91Å; P74-E77 WeakPolarHBondContact O-CB 3.22Å; P74-E77 PolarHBondContact O-N 3.41Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75	W	95.7	Very high	96.7	Very high	14 Å²	14	69.4 Å²	69.4	5%	0.053	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-70.7	-13.7	-176.7	53.3	-105.5	0	0	0	114.4	V52 F57 A73 Q78 Y195 N198 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.95Å; F57-W75 HydrophobicContact CD1-CH2 4.11Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.1Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.93Å; A73-W75 PolarHBondContact O-N 3.44Å; W75-Q78 WeakPolarHBondContact O-CG 3.43Å; W75-Q78 PolarHBondContact O-NE2 3.41Å; W75-Y195 HydrophobicContact CH2-CG 4.4Å; W75-Y195 AromaticContact CZ3-CD1 3.98Å; W75-Y195 HydrophobicContact CZ3-CD1 3.98Å; W75-Y195 AromaticContact CZ3-CG 3.82Å; W75-Y195 HydrophobicContact CZ3-CG 3.82Å; W75-N198 WeakPolarHBondContact CB-O 3.49Å; W75-G199 VanDerWaalsContact CG-CA 3.49Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.28Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.31Å
76	I	97.5	Very high	96.8	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-91.1	-18.9	172.6	-161.5	72.4	0	0	0	111.7	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.46Å; F57-I76 HydrophobicContact CD2-CD1 4.01Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.37Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.17Å; P71-I76 HydrophobicContact CB-CG2 3.66Å; A73-I76 WeakPolarHBondContact O-CG2 3.49Å; A73-I76 PolarHBondContact O-N 2.89Å; P74-I76 PolarHBondContact O-N 2.91Å; I76-Q78 PolarHBondContact O-N 3.36Å; I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.08Å; I76-E79 VanDerWaalsContact O-CB 3.28Å; I76-E79 WeakPolarHBondContact O-CB 3.48Å; I76-E79 WeakPolarHBondContact O-CG 3.45Å; I76-E79 PolarHBondContact O-N 3.31Å; I76-Y83 HydrophobicContact CD1-CE1 4.23Å; I76-Y83 HydrophobicContact CG1-CE1 4.22Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.42Å; I76-Y195 HydrophobicContact CD1-CD1 3.74Å; I76-Y195 HydrophobicContact CD1-CE1 3.37Å
77	E	96.2	Very high	97	Very high	125 Å²	125	67.5 Å²	67.5	58%	0.584	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.7	-177.5	-65	179.7	-172.9	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.76Å; P71-E77 HydrophobicContact CG-CG 4.01Å; P74-E77 WeakPolarHBondContact O-CB 3.22Å; P74-E77 PolarHBondContact O-N 3.41Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.87Å
78	Q	94.6	Very high	97.2	Very high	121 Å²	121	63.6 Å²	63.6	57%	0.565	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.1	174.6	68.2	-174	-27	0	0	113.9	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.43Å; W75-Q78 PolarHBondContact O-NE2 3.41Å; I76-Q78 PolarHBondContact O-N 3.36Å; Q78-N198 PolarHBondContact NE2-ND2 2.87Å
79	E	96.4	Very high	97.2	Very high	14 Å²	14	59.1 Å²	59.1	7%	0.065	31%	0.314	C	S	.	.	S	Bend	trans	-63.2	138.1	175.8	-70.3	-61.8	155.5	0	0	111.5	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.08Å; I76-E79 VanDerWaalsContact O-CB 3.28Å; I76-E79 WeakPolarHBondContact O-CB 3.48Å; I76-E79 WeakPolarHBondContact O-CG 3.45Å; I76-E79 PolarHBondContact O-N 3.31Å; E77-E79 PolarHBondContact O-N 2.87Å; E79-Y83 HydrophobicContact CB-CD1 3.41Å; E79-Y83 VanDerWaalsContact CB-CD1 3.41Å; E79-Y83 HydrophobicContact CB-CE1 4Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 3.78Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 3.95Å; E79-Y83 HydrophobicContact CG-CG 4.04Å; E79-W84 HydrophobicContact CB-CZ2 4.31Å; E79-W84 PolarHBondContact O-NE1 3.47Å; E79-R194 IonicContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 3.34Å; E79-R194 PolarHBondContact OE1-NE 2.94Å; E79-R194 IonicContact OE1-NH2 2.82Å; E79-R194 PolarHBondContact OE1-NH2 3.25Å; E79-R194 IonicContact OE2-CZ 3.66Å; E79-R194 IonicContact OE2-NE 3.41Å; E79-R194 IonicContact OE2-NH2 2.62Å; E79-R194 PolarHBondContact OE2-NH2 2.92Å; E79-N198 PolarHBondContact OE1-ND2 2.79Å
80	G	96.4	Very high	97.1	Very high	36 Å²	36	63 Å²	63	37%	0.371	33%	0.331	S	S	.	.			trans	-70.9	167.3	-176.6	0	0	0	0	0	113.7	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.25Å; G80-Y83 WeakPolarHBondContact O-CB 3.25Å; G80-Y83 PolarHBondContact O-N 3.21Å; G80-Y83 VanDerWaalsContact O-N 3.13Å; G80-W84 VanDerWaalsContact O-CD1 3.23Å; G80-W84 PolarHBondContact O-N 3.24Å
81	P	97.1	Very high	97.2	Very high	99 Å²	99	60.7 Å²	60.7	64%	0.643	32%	0.321	S	S	*	.	H	α-helix	trans	-58.6	-33.6	-179.5	23.8	-33.9	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.33Å; P81-Y83 PolarHBondContact O-N 3.12Å; P81-W84 PolarHBondContact O-N 3.25Å; P81-D85 PolarHBondContact O-N 3.03Å
82	E	97.8	Very high	97.2	Very high	169 Å²	169	62.5 Å²	62.5	79%	0.79	33%	0.325	S	S	*	.	H	α-helix	trans	-59.7	-42	177.4	-65.2	-179.2	176.1	0	0	112.1	G80 E86	G80-E82 PolarHBondContact O-N 3.25Å; E82-E86 VanDerWaalsContact O-CB 3.27Å; E82-E86 WeakPolarHBondContact O-CB 3.47Å; E82-E86 PolarHBondContact O-N 3.47Å
83	Y	97.2	Very high	97.2	Very high	26 Å²	26	60.3 Å²	60.3	10%	0.102	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-47.7	175.5	170.7	-93.6	0	0	0	111.1	I76 E79 G80 P81 D85 E86 E87 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.23Å; I76-Y83 HydrophobicContact CG1-CE1 4.22Å; E79-Y83 HydrophobicContact CB-CD1 3.41Å; E79-Y83 VanDerWaalsContact CB-CD1 3.41Å; E79-Y83 HydrophobicContact CB-CE1 4Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 3.78Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 3.95Å; E79-Y83 HydrophobicContact CG-CG 4.04Å; G80-Y83 WeakPolarHBondContact O-CB 3.25Å; G80-Y83 PolarHBondContact O-N 3.21Å; G80-Y83 VanDerWaalsContact O-N 3.13Å; P81-Y83 VanDerWaalsContact C-N 3.33Å; P81-Y83 PolarHBondContact O-N 3.12Å; Y83-D85 PolarHBondContact O-N 3.46Å; Y83-E86 PolarHBondContact O-N 3.09Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.12Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.69Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CB 3.27Å; Y83-E87 WeakPolarHBondContact O-CG 3.19Å; Y83-E87 PolarHBondContact O-N 2.83Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.34Å; Y83-Y195 PolarHBondContact OH-OH 3.1Å
84	W	98.3	Very high	97.3	Very high	40 Å²	40	62 Å²	62	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-67	-37.9	-178.1	-66.6	112.3	0	0	0	113.2	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.18Å; V58-W84 HydrophobicContact CG1-CZ3 3.98Å; M69-W84 HydrophobicContact CB-CE3 4.35Å; M69-W84 HydrophobicContact CG-CE3 4.31Å; M69-W84 HydrophobicContact CG-CZ3 4.08Å; P71-W84 HydrophobicContact CB-CH2 3.59Å; P71-W84 HydrophobicContact CB-CZ2 3.92Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.19Å; P71-W84 HydrophobicContact CG-CZ2 4.31Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.42Å; E79-W84 HydrophobicContact CB-CZ2 4.31Å; E79-W84 PolarHBondContact O-NE1 3.47Å; G80-W84 VanDerWaalsContact O-CD1 3.23Å; G80-W84 PolarHBondContact O-N 3.24Å; P81-W84 PolarHBondContact O-N 3.25Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.21Å; W84-T88 PolarHBondContact O-OG1 3Å
85	D	98.1	Very high	97.4	Very high	87 Å²	87	58.1 Å²	58.1	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-70.4	-39.2	175.7	-76.6	-26.6	0	0	0	111.3	R68 P81 Y83 G89	R68-D85 IonicContact CZ-OD1 3.9Å; R68-D85 IonicContact NE-OD1 3.97Å; R68-D85 IonicContact NH2-OD1 2.97Å; R68-D85 PolarHBondContact NH2-OD1 3.44Å; P81-D85 PolarHBondContact O-N 3.03Å; Y83-D85 PolarHBondContact O-N 3.46Å; D85-G89 PolarHBondContact O-N 2.87Å
86	E	97.8	Very high	97.4	Very high	109 Å²	109	61.6 Å²	61.6	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-51.5	174.5	-173.4	-175.9	166.4	0	0	111.7	E82 Y83 T88 G89 K90	E82-E86 VanDerWaalsContact O-CB 3.27Å; E82-E86 WeakPolarHBondContact O-CB 3.47Å; E82-E86 PolarHBondContact O-N 3.47Å; Y83-E86 PolarHBondContact O-N 3.09Å; E86-T88 VanDerWaalsContact C-N 3.31Å; E86-T88 PolarHBondContact O-N 3.2Å; E86-G89 WeakPolarHBondContact O-CA 3.36Å; E86-G89 PolarHBondContact O-N 2.88Å; E86-G89 VanDerWaalsContact O-N 3.08Å; E86-K90 HydrophobicContact CG-CD 4.42Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 2.89Å; E86-K90 WeakPolarHBondContact OE1-CE 3.49Å; E86-K90 IonicContact OE1-NZ 3.48Å; E86-K90 PolarHBondContact OE1-NZ 2.68Å
87	E	97.8	Very high	97.4	Very high	24 Å²	24	64.9 Å²	64.9	11%	0.112	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-36.9	179.1	-69.9	-55.2	117.2	0	0	111.8	M69 Y83 G89 K90 V91	M69-E87 HydrophobicContact CB-CB 4.25Å; M69-E87 HydrophobicContact CG-CB 4.2Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.12Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.69Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CB 3.27Å; Y83-E87 WeakPolarHBondContact O-CG 3.19Å; Y83-E87 PolarHBondContact O-N 2.83Å; E87-G89 VanDerWaalsContact C-N 3.35Å; E87-K90 PolarHBondContact O-N 2.85Å; E87-K90 WeakPolarHBondContact OE1-CD 3.49Å; E87-K90 IonicContact OE1-NZ 2.71Å; E87-K90 PolarHBondContact OE1-NZ 3.3Å; E87-V91 WeakPolarHBondContact O-CB 3.41Å; E87-V91 WeakPolarHBondContact O-CG1 3.34Å; E87-V91 PolarHBondContact O-N 3.12Å
88	T	98.5	Very high	97.5	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.055	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-41.3	171.6	-64.6	0	0	0	0	111.5	R68 M69 W84 E86 V91 K92	R68-T88 HydrophobicContact CG-CG2 4.11Å; M69-T88 PolarHBondContact N-OG1 3.33Å; W84-T88 WeakPolarHBondContact O-CB 3.32Å; W84-T88 PolarHBondContact O-N 3.21Å; W84-T88 PolarHBondContact O-OG1 3Å; E86-T88 VanDerWaalsContact C-N 3.31Å; E86-T88 PolarHBondContact O-N 3.2Å; T88-V91 WeakPolarHBondContact O-CG1 3.39Å; T88-K92 HydrophobicContact CG2-CD 4.11Å; T88-K92 WeakPolarHBondContact O-CB 3.3Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.45Å; T88-K92 PolarHBondContact O-N 2.98Å; T88-K92 VanDerWaalsContact O-N 3.1Å
89	G	98.4	Very high	97.6	Very high	40 Å²	40	56 Å²	56	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-49.3	176.1	0	0	0	0	0	112	D85 E86 E87 K92 A93	D85-G89 PolarHBondContact O-N 2.87Å; E86-G89 WeakPolarHBondContact O-CA 3.36Å; E86-G89 PolarHBondContact O-N 2.88Å; E86-G89 VanDerWaalsContact O-N 3.08Å; E87-G89 VanDerWaalsContact C-N 3.35Å; G89-K92 PolarHBondContact O-N 2.91Å; G89-A93 PolarHBondContact O-N 2.8Å
90	K	97.3	Very high	97.6	Very high	97 Å²	97	60.4 Å²	60.4	42%	0.422	32%	0.324	S	S	.	.	H	α-helix	trans	-59.1	-49.2	178.1	-71.4	173.5	-173.5	158.2	0	112	E86 E87 K92 A93 H94	E86-K90 HydrophobicContact CG-CD 4.42Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 2.89Å; E86-K90 WeakPolarHBondContact OE1-CE 3.49Å; E86-K90 IonicContact OE1-NZ 3.48Å; E86-K90 PolarHBondContact OE1-NZ 2.68Å; E87-K90 PolarHBondContact O-N 2.85Å; E87-K90 WeakPolarHBondContact OE1-CD 3.49Å; E87-K90 IonicContact OE1-NZ 2.71Å; E87-K90 PolarHBondContact OE1-NZ 3.3Å; K90-K92 VanDerWaalsContact C-N 3.33Å; K90-K92 PolarHBondContact O-N 2.8Å; K90-A93 PolarHBondContact O-N 2.86Å; K90-H94 WeakPolarHBondContact O-CB 3.03Å; K90-H94 PolarHBondContact O-N 3.21Å
91	V	98.2	Very high	97.6	Very high	12 Å²	12	60.9 Å²	60.9	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-67.9	-33.1	-177.5	75.2	0	0	0	0	112.2	F46 A48 F60 M69 E87 T88 H94 S95	F46-V91 HydrophobicContact CD1-CG2 4.49Å; F46-V91 HydrophobicContact CE1-CG2 3.6Å; F46-V91 HydrophobicContact CZ-CG2 4.35Å; A48-V91 HydrophobicContact CB-CG2 3.85Å; F60-V91 HydrophobicContact CB-CG1 4.18Å; F60-V91 HydrophobicContact CB-CG2 3.81Å; F60-V91 HydrophobicContact CD1-CG1 4.38Å; F60-V91 HydrophobicContact CD1-CG2 3.96Å; F60-V91 HydrophobicContact CD2-CB 4.49Å; F60-V91 HydrophobicContact CD2-CG1 3.36Å; F60-V91 HydrophobicContact CD2-CG2 4.29Å; F60-V91 HydrophobicContact CE2-CG1 3.74Å; F60-V91 HydrophobicContact CG-CB 4.43Å; F60-V91 HydrophobicContact CG-CG1 3.72Å; F60-V91 HydrophobicContact CG-CG2 3.76Å; F60-V91 HydrophobicContact CZ-CG1 4.4Å; M69-V91 HydrophobicContact CE-CB 3.75Å; M69-V91 HydrophobicContact CE-CG1 3.96Å; M69-V91 HydrophobicContact CE-CG2 3.91Å; E87-V91 WeakPolarHBondContact O-CB 3.41Å; E87-V91 WeakPolarHBondContact O-CG1 3.34Å; E87-V91 PolarHBondContact O-N 3.12Å; T88-V91 WeakPolarHBondContact O-CG1 3.39Å; V91-H94 PolarHBondContact O-N 3.34Å; V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.14Å
92	K	98.3	Very high	97.7	Very high	82 Å²	82	56.4 Å²	56.4	36%	0.357	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-43.7	172	-77.8	-179.9	177.2	174.9	0	112	F60 Q67 T88 G89 K90 H94 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4.18Å; Q67-K92 WeakPolarHBondContact O-CE 2.94Å; Q67-K92 PolarHBondContact O-NZ 2.95Å; T88-K92 HydrophobicContact CG2-CD 4.11Å; T88-K92 WeakPolarHBondContact O-CB 3.3Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.45Å; T88-K92 PolarHBondContact O-N 2.98Å; T88-K92 VanDerWaalsContact O-N 3.1Å; G89-K92 PolarHBondContact O-N 2.91Å; K90-K92 VanDerWaalsContact C-N 3.33Å; K90-K92 PolarHBondContact O-N 2.8Å; K92-H94 VanDerWaalsContact C-N 3.31Å; K92-H94 PolarHBondContact O-N 3.47Å; K92-S95 WeakPolarHBondContact O-CB 3.38Å; K92-S95 PolarHBondContact O-N 2.82Å; K92-Q96 WeakPolarHBondContact O-CG 3.19Å; K92-Q96 PolarHBondContact O-N 2.79Å
93	A	98.1	Very high	97.6	Very high	57 Å²	57	53.7 Å²	53.7	47%	0.471	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-40.7	175.9	0	0	0	0	0	111.9	G89 K90 Q96 T97	G89-A93 PolarHBondContact O-N 2.8Å; K90-A93 PolarHBondContact O-N 2.86Å; A93-Q96 PolarHBondContact O-N 3.44Å; A93-T97 PolarHBondContact O-N 3.29Å; A93-T97 PolarHBondContact O-OG1 2.89Å
94	H	97.3	Very high	97.5	Very high	39 Å²	39	54.5 Å²	54.5	18%	0.181	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-47.7	173.2	-173.5	134.1	0	0	0	111.3	S33 F46 K90 V91 K92 Q96 T97 D98 M121	S33-H94 PolarHBondContact OG-NE2 2.92Å; F46-H94 AromaticContact CE2-CD2 3.32Å; F46-H94 WeakPolarHBondContact CE2-CD2 3.39Å; F46-H94 AromaticContact CE2-NE2 3.73Å; F46-H94 HydrophobicContact CZ-CB 4.48Å; F46-H94 AromaticContact CZ-CD2 3.38Å; F46-H94 WeakPolarHBondContact CZ-CD2 3.34Å; F46-H94 AromaticContact CZ-NE2 3.78Å; K90-H94 WeakPolarHBondContact O-CB 3.03Å; K90-H94 PolarHBondContact O-N 3.21Å; V91-H94 PolarHBondContact O-N 3.34Å; K92-H94 VanDerWaalsContact C-N 3.31Å; K92-H94 PolarHBondContact O-N 3.47Å; H94-Q96 PolarHBondContact O-N 3.1Å; H94-T97 WeakPolarHBondContact O-CA 3.19Å; H94-T97 WeakPolarHBondContact O-CB 3.38Å; H94-T97 PolarHBondContact O-N 2.92Å; H94-D98 IonicContact CD2-OD1 3.12Å; H94-D98 IonicContact CD2-OD2 2.86Å; H94-D98 IonicContact NE2-OD1 3.93Å; H94-D98 IonicContact NE2-OD2 3.83Å; H94-D98 PolarHBondContact O-N 3.01Å; H94-M121 WeakPolarHBondContact CE1-CE 2.98Å; H94-M121 VanDerWaalsContact CE1-SD 3.51Å
95	S	97.8	Very high	97.4	Very high	20 Å²	20	52.9 Å²	52.9	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-38.9	177.2	176.3	0	0	0	0	112.8	F46 V91 K92 R99	F46-S95 VanDerWaalsContact CB-OG 3.28Å; F46-S95 WeakPolarHBondContact CB-OG 3.22Å; F46-S95 VanDerWaalsContact CG-CB 3.5Å; F46-S95 WeakPolarHBondContact CG-OG 3.12Å; V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.14Å; K92-S95 WeakPolarHBondContact O-CB 3.38Å; K92-S95 PolarHBondContact O-N 2.82Å; S95-R99 PolarHBondContact O-N 3.36Å; S95-R99 VanDerWaalsContact O-N 3.1Å
96	Q	97.6	Very high	97.3	Very high	88 Å²	88	50 Å²	50	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-67	-41.5	174.3	-64.8	-56	-34.1	0	0	112.5	K92 A93 H94 D98 R99 E100	K92-Q96 WeakPolarHBondContact O-CG 3.19Å; K92-Q96 PolarHBondContact O-N 2.79Å; A93-Q96 PolarHBondContact O-N 3.44Å; H94-Q96 PolarHBondContact O-N 3.1Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; Q96-R99 WeakPolarHBondContact O-CB 3.31Å; Q96-R99 PolarHBondContact O-N 2.96Å; Q96-R99 VanDerWaalsContact OE1-NE 3.12Å; Q96-E100 PolarHBondContact O-N 2.98Å; Q96-E100 VanDerWaalsContact O-N 3.16Å
97	T	97.2	Very high	97.3	Very high	68 Å²	68	52.5 Å²	52.5	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-44.2	176.5	-56.8	0	0	0	0	110.9	A93 H94 R99 E100 N101	A93-T97 PolarHBondContact O-N 3.29Å; A93-T97 PolarHBondContact O-OG1 2.89Å; H94-T97 WeakPolarHBondContact O-CA 3.19Å; H94-T97 WeakPolarHBondContact O-CB 3.38Å; H94-T97 PolarHBondContact O-N 2.92Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 2.93Å; T97-E100 PolarHBondContact O-N 3.3Å; T97-E100 VanDerWaalsContact O-N 3.16Å; T97-N101 WeakPolarHBondContact O-CB 3.45Å; T97-N101 VanDerWaalsContact O-CG 3.26Å; T97-N101 PolarHBondContact O-N 2.93Å; T97-N101 PolarHBondContact O-ND2 2.98Å
98	D	97.4	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-38.3	177.6	-95.6	21.6	0	0	0	112.9	S35 F46 H94 Q96 E100 N101 L102 L119	S35-D98 VanDerWaalsContact OG-CB 3.23Å; S35-D98 WeakPolarHBondContact OG-CB 3.41Å; S35-D98 PolarHBondContact OG-OD2 3.49Å; F46-D98 HydrophobicContact CD2-CB 4.24Å; F46-D98 HydrophobicContact CE2-CB 4.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.29Å; H94-D98 IonicContact CD2-OD1 3.12Å; H94-D98 IonicContact CD2-OD2 2.86Å; H94-D98 IonicContact NE2-OD1 3.93Å; H94-D98 IonicContact NE2-OD2 3.83Å; H94-D98 PolarHBondContact O-N 3.01Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; D98-E100 VanDerWaalsContact C-N 3.3Å; D98-E100 PolarHBondContact O-N 2.59Å; D98-N101 PolarHBondContact O-N 3.03Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.9Å; D98-L119 HydrophobicContact CB-CD2 4.27Å
99	R	96.9	Very high	97.2	Very high	60 Å²	60	56.4 Å²	56.4	23%	0.226	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-43.6	172.7	175.3	177.7	69.9	156	1.8	111.6	E43 P44 S95 Q96 T97 R103	E43-R99 IonicContact OE1-NH1 2.93Å; E43-R99 PolarHBondContact OE1-NH1 3.5Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-NE 3.58Å; E43-R99 IonicContact OE2-NH1 3.81Å; E43-R99 PolarHBondContact OE2-NH1 3.18Å; P44-R99 HydrophobicContact CG-CG 4.22Å; S95-R99 PolarHBondContact O-N 3.36Å; S95-R99 VanDerWaalsContact O-N 3.1Å; Q96-R99 WeakPolarHBondContact O-CB 3.31Å; Q96-R99 PolarHBondContact O-N 2.96Å; Q96-R99 VanDerWaalsContact OE1-NE 3.12Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 2.93Å; R99-R103 PolarHBondContact O-N 2.8Å
100	E	96.6	Very high	97.1	Very high	107 Å²	107	61.8 Å²	61.8	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-68.8	-41.2	176.6	-69	-178.6	-176.1	0	0	111.8	Q96 T97 D98 L102 R103 I104	Q96-E100 PolarHBondContact O-N 2.98Å; Q96-E100 VanDerWaalsContact O-N 3.16Å; T97-E100 PolarHBondContact O-N 3.3Å; T97-E100 VanDerWaalsContact O-N 3.16Å; D98-E100 VanDerWaalsContact C-N 3.3Å; D98-E100 PolarHBondContact O-N 2.59Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.36Å; E100-R103 WeakPolarHBondContact O-CB 3.4Å; E100-R103 PolarHBondContact O-N 2.03Å; E100-R103 VanDerWaalsContact O-N 3.1Å; E100-I104 WeakPolarHBondContact O-CG1 3.41Å; E100-I104 PolarHBondContact O-N 3.25Å
101	N	97.1	Very high	97	Very high	46 Å²	46	60.2 Å²	60.2	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-39.9	177.1	-73.5	-24.1	0	0	0	112.2	T97 D98 R103 I104 A105 L119	T97-N101 WeakPolarHBondContact O-CB 3.45Å; T97-N101 VanDerWaalsContact O-CG 3.26Å; T97-N101 PolarHBondContact O-N 2.93Å; T97-N101 PolarHBondContact O-ND2 2.98Å; D98-N101 PolarHBondContact O-N 3.03Å; N101-R103 VanDerWaalsContact C-N 3.32Å; N101-R103 PolarHBondContact O-N 2.81Å; N101-I104 PolarHBondContact O-N 2.82Å; N101-A105 WeakPolarHBondContact O-CB 3.41Å; N101-A105 PolarHBondContact O-N 2.89Å; N101-L119 HydrophobicContact CB-CD2 3.59Å
102	L	97.4	Very high	96.8	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-43.4	172.9	-78.8	166.9	0	0	0	111.8	P44 D98 E100 I104 A105 L106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.8Å; P44-L102 HydrophobicContact CG-CD1 3.88Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.9Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.36Å; L102-I104 VanDerWaalsContact C-N 3.34Å; L102-A105 PolarHBondContact O-N 3.03Å; L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 3.36Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; L102-L119 HydrophobicContact CD2-CB 3.75Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L102-Y142 HydrophobicContact CD2-CE2 4.09Å
103	R	95.7	Very high	96.5	Very high	112 Å²	112	67.4 Å²	67.4	42%	0.423	33%	0.331	S	S	.	.	H	α-helix	trans	-67.6	-34.3	176.5	-64.3	174.5	-174.8	152.1	0.4	112.5	R99 E100 N101	R99-R103 PolarHBondContact O-N 2.8Å; E100-R103 WeakPolarHBondContact O-CB 3.4Å; E100-R103 PolarHBondContact O-N 2.03Å; E100-R103 VanDerWaalsContact O-N 3.1Å; N101-R103 VanDerWaalsContact C-N 3.32Å; N101-R103 PolarHBondContact O-N 2.81Å
104	I	96.2	Very high	96.2	Very high	43 Å²	43	68.6 Å²	68.6	22%	0.221	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-46.4	175.8	-69.9	165.7	0	0	0	110.4	E100 N101 L102 L106 R107 Y108	E100-I104 WeakPolarHBondContact O-CG1 3.41Å; E100-I104 PolarHBondContact O-N 3.25Å; N101-I104 PolarHBondContact O-N 2.82Å; L102-I104 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 2.99Å; I104-R107 WeakPolarHBondContact O-CB 3.47Å; I104-R107 PolarHBondContact O-N 2.88Å; I104-R107 VanDerWaalsContact O-N 3.11Å; I104-Y108 HydrophobicContact CG2-CD1 4.21Å; I104-Y108 HydrophobicContact CG2-CD2 3.97Å; I104-Y108 HydrophobicContact CG2-CE1 3.75Å; I104-Y108 HydrophobicContact CG2-CE2 3.49Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.49Å; I104-Y108 HydrophobicContact CG2-CG 4.31Å; I104-Y108 PolarHBondContact O-N 2.87Å
105	A	96.5	Very high	96	Very high	6 Å²	6	68 Å²	68	5%	0.05	35%	0.345	C	S	.	.	H	α-helix	trans	-59.4	-46.2	179.5	0	0	0	0	0	111.2	N101 L102 R107 Y108 Y109 Y142	N101-A105 WeakPolarHBondContact O-CB 3.41Å; N101-A105 PolarHBondContact O-N 2.89Å; L102-A105 PolarHBondContact O-N 3.03Å; A105-R107 PolarHBondContact O-N 3.09Å; A105-Y108 PolarHBondContact O-N 3.03Å; A105-Y109 HydrophobicContact CB-CD2 4.48Å; A105-Y109 VanDerWaalsContact O-CD2 3.29Å; A105-Y109 WeakPolarHBondContact O-CD2 3.36Å; A105-Y109 PolarHBondContact O-N 3.41Å; A105-Y142 HydrophobicContact CB-CD1 4.36Å; A105-Y142 HydrophobicContact CB-CD2 4.02Å; A105-Y142 HydrophobicContact CB-CE1 3.98Å; A105-Y142 HydrophobicContact CB-CE2 3.64Å; A105-Y142 HydrophobicContact CB-CG 4.37Å
106	L	96.1	Very high	96	Very high	28 Å²	28	70.7 Å²	70.7	15%	0.147	36%	0.364	C	S	.	.	H	α-helix	trans	-48.5	-45.7	172.9	-81.6	172.9	0	0	0	112.4	L102 I104 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 3.36Å; I104-L106 PolarHBondContact O-N 2.99Å; L106-N110 PolarHBondContact O-N 3.38Å; L106-N110 VanDerWaalsContact O-N 3.08Å; L106-Q111 HydrophobicContact CD2-CB 3.67Å; L106-Q111 PolarHBondContact O-N 2.95Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.35Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.38Å
107	R	96.5	Very high	96	Very high	161 Å²	161	67.2 Å²	67.2	61%	0.608	35%	0.348	S	S	*	.	H	α-helix	trans	-70.5	-42.1	178.6	-69.2	-171	-65	-104.7	1.6	112.7	I104 A105 Y109 N110	I104-R107 WeakPolarHBondContact O-CB 3.47Å; I104-R107 PolarHBondContact O-N 2.88Å; I104-R107 VanDerWaalsContact O-N 3.11Å; A105-R107 PolarHBondContact O-N 3.09Å; R107-Y109 VanDerWaalsContact C-N 3.27Å; R107-Y109 PolarHBondContact O-N 2.9Å; R107-N110 PolarHBondContact O-N 3.46Å; R107-N110 PolarHBondContact O-OD1 2.91Å
108	Y	97.1	Very high	96.1	Very high	49 Å²	49	65.8 Å²	65.8	19%	0.192	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-35.4	-179.8	-70	-6.5	0	0	0	112.3	I104 A105 I166 K170	I104-Y108 HydrophobicContact CG2-CD1 4.21Å; I104-Y108 HydrophobicContact CG2-CD2 3.97Å; I104-Y108 HydrophobicContact CG2-CE1 3.75Å; I104-Y108 HydrophobicContact CG2-CE2 3.49Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.49Å; I104-Y108 HydrophobicContact CG2-CG 4.31Å; I104-Y108 PolarHBondContact O-N 2.87Å; A105-Y108 PolarHBondContact O-N 3.03Å; Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CE1-CD1 4.38Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.06Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.3Å; Y108-K170 PolarHBondContact OH-NZ 3.49Å
109	Y	97.1	Very high	96.1	Very high	66 Å²	66	66.2 Å²	66.2	26%	0.259	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.6	179	-69.4	-72.5	0	0	0	114.1	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 HydrophobicContact CB-CD2 4.48Å; A105-Y109 VanDerWaalsContact O-CD2 3.29Å; A105-Y109 WeakPolarHBondContact O-CD2 3.36Å; A105-Y109 PolarHBondContact O-N 3.41Å; R107-Y109 VanDerWaalsContact C-N 3.27Å; R107-Y109 PolarHBondContact O-N 2.9Å; Y109-Q111 PolarHBondContact O-N 2.97Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.55Å; Y109-Y142 HydrophobicContact CD2-CE1 3.55Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.3Å; Y109-Y147 AromaticContact CE2-CE2 3.95Å; Y109-Y147 HydrophobicContact CE2-CE2 3.95Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.38Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.39Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.27Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.18Å; Y109-D161 PolarHBondContact OH-OD2 2.88Å; Y109-A163 HydrophobicContact CD1-CB 4.14Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.49Å
110	N	96.1	Very high	96.2	Very high	153 Å²	153	66.9 Å²	66.9	82%	0.818	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	41.8	-176.1	-57	-58	0	0	0	113.1	L106 R107	L106-N110 PolarHBondContact O-N 3.38Å; L106-N110 VanDerWaalsContact O-N 3.08Å; R107-N110 PolarHBondContact O-N 3.46Å; R107-N110 PolarHBondContact O-OD1 2.91Å
111	Q	96.3	Very high	96.3	Very high	63 Å²	63	62.5 Å²	62.5	29%	0.294	33%	0.327	S	S	.	.			trans	-90.2	155.3	-178.4	-71.6	166.2	-37.4	0	0	111.8	L106 Y109 H117 Y142 D143	L106-Q111 HydrophobicContact CD2-CB 3.67Å; L106-Q111 PolarHBondContact O-N 2.95Å; Y109-Q111 PolarHBondContact O-N 2.97Å; Q111-H117 PolarHBondContact NE2-CE1 2.92Å; Q111-H117 PolarHBondContact OE1-CE1 3.27Å; Q111-Y142 PolarHBondContact OE1-OH 2.75Å; Q111-D143 PolarHBondContact NE2-OD2 3.43Å
112	S	93.5	Very high	96.4	Very high	80 Å²	80	61.4 Å²	61.4	56%	0.559	32%	0.32	S	S	*	.			trans	-76.1	142.7	177.9	173.3	0	0	0	0	111.9	A114 G115	S112-A114 PolarHBondContact O-N 3.39Å; S112-A114 VanDerWaalsContact O-N 3.16Å; S112-A114 PolarHBondContact OG-N 2.95Å; S112-G115 PolarHBondContact O-N 2.88Å
113	E	91.6	Very high	96.4	Very high	166 Å²	166	63 Å²	63	78%	0.776	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.1	173.9	-61.7	-172.5	168.3	0	0	113.6	P39 G115	P39-E113 VanDerWaalsContact CB-O 3.27Å; P39-E113 WeakPolarHBondContact CB-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.39Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114	A	92.4	Very high	96.5	Very high	81 Å²	81	57.7 Å²	57.7	67%	0.669	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.8	176.7	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 3.39Å; S112-A114 VanDerWaalsContact O-N 3.16Å; S112-A114 PolarHBondContact OG-N 2.95Å
115	G	93.3	Very high	96.6	Very high	27 Å²	27	55.7 Å²	55.7	28%	0.278	30%	0.297	S	S	.	.	S	Bend	trans	-79.2	141.4	-179.8	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.47Å; S112-G115 PolarHBondContact O-N 2.88Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-H117 PolarHBondContact O-CD2 3.47Å
116	S	96.9	Very high	96.7	Very high	77 Å²	77	56.7 Å²	56.7	54%	0.538	30%	0.302	S	S	.	.			trans	-85.9	126.3	166	-178.4	0	0	0	0	108.7	S37	S37-S116 WeakPolarHBondContact O-CB 3.17Å; S37-S116 PolarHBondContact O-OG 3.29Å
117	H	98.1	Very high	96.8	Very high	15 Å²	15	55.4 Å²	55.4	7%	0.069	30%	0.295	C	S	.	.			trans	-123.4	150.5	-178.7	-62.6	-81	0	0	0	111.3	S37 L102 L106 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.95Å; S37-H117 WeakPolarHBondContact OG-CA 3.31Å; S37-H117 PolarHBondContact OG-N 3.36Å; S37-H117 PolarHBondContact OG-O 3.1Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.35Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.38Å; Q111-H117 PolarHBondContact NE2-CE1 2.92Å; Q111-H117 PolarHBondContact OE1-CE1 3.27Å; G115-H117 PolarHBondContact O-CD2 3.47Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 WeakPolarHBondContact CB-OH 3.44Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.88Å; H117-Y142 PolarHBondContact ND1-OH 3.26Å; H117-D143 WeakPolarHBondContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CB-OD1 3.29Å; H117-D143 IonicContact CE1-OD2 3.1Å; H117-D143 IonicContact CG-OD1 3.8Å; H117-D143 IonicContact CG-OD2 2.77Å; H117-D143 IonicContact ND1-OD1 3.7Å; H117-D143 IonicContact ND1-OD2 3Å; H117-D143 PolarHBondContact ND1-OD2 2.75Å
118	T	98.6	Very high	96.7	Very high	38 Å²	38	48.2 Å²	48.2	23%	0.233	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.6	-176.3	-54.9	0	0	0	0	110.5	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.83Å; S35-T118 CarbonylContact O-C 3.49Å; S35-T118 WeakPolarHBondContact O-CA 3.43Å; V36-T118 HydrophobicContact CG2-CG2 4.19Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; T118-Y142 CarbonylContact O-C 3.54Å; T118-Y142 WeakPolarHBondContact O-CA 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.39Å; T118-D143 PolarHBondContact N-OD1 2.88Å; T118-D143 PolarHBondContact O-N 2.82Å
119	L	98.7	Very high	96.3	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.9	168.8	-175.4	70.4	0	0	0	108.2	T34 S35 D98 N101 L102 Y140 Y142	T34-L119 WeakPolarHBondContact CA-O 3.48Å; S35-L119 PolarHBondContact N-O 3.3Å; S35-L119 PolarHBondContact O-N 3.13Å; D98-L119 HydrophobicContact CB-CD2 4.27Å; N101-L119 HydrophobicContact CB-CD2 3.59Å; L102-L119 HydrophobicContact CD2-CB 3.75Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L119-Y140 HydrophobicContact CD1-CD1 3.96Å; L119-Y140 HydrophobicContact CD2-CD1 4.38Å; L119-Y140 HydrophobicContact CD2-CE1 4.31Å; L119-Y140 HydrophobicContact CG-CD1 4.14Å; L119-Y142 HydrophobicContact CD1-CD2 4.25Å
120	Q	98.8	Very high	96	Very high	75 Å²	75	51.6 Å²	51.6	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.7	178.3	-62.6	172.9	-88.4	0	0	109.1	S33 T34 T118 Y140 A141	S33-Q120 WeakPolarHBondContact O-CA 3.17Å; T34-Q120 HydrophobicContact CG2-CG 4.04Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 VanDerWaalsContact O-CA 3.23Å; Q120-Y140 WeakPolarHBondContact O-CA 3.41Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 3.44Å; Q120-A141 PolarHBondContact O-N 3.38Å
121	M	98.3	Very high	95.8	Very high	15 Å²	15	45 Å²	45	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142	172.4	-171	-135.9	-92.7	0	0	109.6	F32 S33 H94 F123 Q139 Y140	F32-M121 WeakPolarHBondContact CA-O 3.41Å; S33-M121 PolarHBondContact N-O 2.93Å; S33-M121 PolarHBondContact O-N 3.38Å; S33-M121 VanDerWaalsContact O-N 3.08Å; S33-M121 WeakPolarHBondContact OG-CB 3.35Å; H94-M121 WeakPolarHBondContact CE1-CE 2.98Å; H94-M121 VanDerWaalsContact CE1-SD 3.51Å; M121-F123 HydrophobicContact SD-CB 4.33Å; M121-F123 HydrophobicContact SD-CD1 3.28Å; M121-F123 WeakPolarHBondContact SD-CD1 3.22Å; M121-F123 HydrophobicContact SD-CE1 3.87Å; M121-F123 HydrophobicContact SD-CG 4.14Å; M121-Q139 CarbonylContact C-O 3.51Å; M121-Q139 VanDerWaalsContact CA-O 3.32Å; M121-Q139 WeakPolarHBondContact CA-O 3.28Å; M121-Q139 WeakPolarHBondContact CG-O 3.39Å; M121-Y140 HydrophobicContact CB-CD1 3.92Å; M121-Y140 HydrophobicContact CB-CE1 3.83Å; M121-Y140 HydrophobicContact CB-CG 4.38Å; M121-Y140 HydrophobicContact CE-CE1 4.06Å; M121-Y140 HydrophobicContact CE-CE2 3.84Å; M121-Y140 WeakPolarHBondContact CE-OH 3.46Å; M121-Y140 HydrophobicContact CG-CD1 4.14Å; M121-Y140 HydrophobicContact CG-CD2 4.03Å; M121-Y140 HydrophobicContact CG-CE1 3.91Å; M121-Y140 HydrophobicContact CG-CE2 3.75Å; M121-Y140 HydrophobicContact CG-CG 4.24Å
122	M	98.5	Very high	95.7	Very high	22 Å²	22	49.8 Å²	49.8	11%	0.108	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.8	163.5	-178.4	-81.2	-77.2	0	0	109.2	Y31 F32 Y137 H138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.38Å; F32-M122 HydrophobicContact CD1-CB 3.86Å; F32-M122 HydrophobicContact CD1-CG 3.66Å; F32-M122 HydrophobicContact CE1-CB 4Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 3.94Å; M122-Y137 HydrophobicContact CE-CD1 4.18Å; M122-Y137 HydrophobicContact CE-CG 4.17Å; M122-Y137 HydrophobicContact SD-CG 4.38Å; M122-H138 WeakPolarHBondContact O-CA 3.37Å; M122-Q139 HydrophobicContact CB-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-CD 3.44Å; M122-Q139 HydrophobicContact CE-CG 3.97Å; M122-Q139 PolarHBondContact N-O 2.85Å; M122-Q139 PolarHBondContact O-N 3.32Å
123	F	98.2	Very high	95.9	Very high	39 Å²	39	48.7 Å²	48.7	17%	0.171	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158	170.5	73.3	-78.7	0	0	0	111.1	Y31 M121 Y137 H138 Y183	Y31-F123 HydrophobicContact CD2-CD2 4.45Å; Y31-F123 HydrophobicContact CD2-CE1 4.4Å; Y31-F123 AromaticContact CD2-CE2 3.75Å; Y31-F123 HydrophobicContact CD2-CE2 3.75Å; Y31-F123 AromaticContact CD2-CZ 3.73Å; Y31-F123 HydrophobicContact CD2-CZ 3.73Å; Y31-F123 HydrophobicContact CE2-CE2 4.45Å; Y31-F123 HydrophobicContact CG-CE1 4.07Å; Y31-F123 HydrophobicContact CG-CE2 4.22Å; Y31-F123 AromaticContact CG-CZ 3.72Å; Y31-F123 HydrophobicContact CG-CZ 3.72Å; Y31-F123 PolarHBondContact N-O 3.06Å; Y31-F123 PolarHBondContact O-N 2.81Å; M121-F123 HydrophobicContact SD-CB 4.33Å; M121-F123 HydrophobicContact SD-CD1 3.28Å; M121-F123 WeakPolarHBondContact SD-CD1 3.22Å; M121-F123 HydrophobicContact SD-CE1 3.87Å; M121-F123 HydrophobicContact SD-CG 4.14Å; F123-Y137 WeakPolarHBondContact CA-O 3.36Å; F123-Y137 WeakPolarHBondContact CB-O 3.28Å; F123-H138 HydrophobicContact CB-CB 4.29Å; F123-Y183 AromaticContact CD2-CE1 3.9Å; F123-Y183 HydrophobicContact CD2-CE1 3.9Å; F123-Y183 AromaticContact CE2-CE1 3.76Å; F123-Y183 HydrophobicContact CE2-CE1 3.76Å
124	G	98.4	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-177.3	-179.5	0	0	0	0	0	113.6	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.6Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.48Å; G124-Y137 PolarHBondContact N-O 3Å; G124-Y137 PolarHBondContact O-N 2.79Å; G124-L184 VanDerWaalsContact O-CD2 3.25Å; G124-L184 WeakPolarHBondContact O-CD2 3.29Å
125	C	98.6	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.4	-176.1	55.8	0	0	0	0	111.4	S28 M29 F133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.45Å; M29-C125 PolarHBondContact N-O 3.04Å; M29-C125 PolarHBondContact O-N 3.49Å; C125-F133 HydrophobicContact CB-CD2 4.36Å; C125-F133 HydrophobicContact CB-CE2 4.08Å; C125-R135 CarbonylContact C-O 3.56Å; C125-R135 VanDerWaalsContact CA-O 3.27Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 2.85Å; C125-C188 WeakPolarHBondContact SG-CB 3.25Å; C125-C188 PolarHBondContact SG-O 3.33Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.4Å
126	D	98.2	Very high	96.7	Very high	27 Å²	27	45.3 Å²	45.3	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.2	172.6	-59	-13.2	0	0	0	109.3	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.12Å; S28-D126 WeakPolarHBondContact CB-OD1 3.43Å; R30-D126 IonicContact CZ-OD1 3.38Å; R30-D126 IonicContact NE-OD1 4Å; R30-D126 PolarHBondContact NE-OD1 2.91Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.7Å; R30-D126 PolarHBondContact NH2-OD1 3.05Å; R30-D126 IonicContact NH2-OD2 3.98Å; R30-D126 PolarHBondContact NH2-OD2 3.16Å; D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 3.45Å; D126-R135 HydrophobicContact CB-CB 4.32Å; D126-R135 PolarHBondContact N-O 3.42Å; D126-R135 PolarHBondContact O-N 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.32Å; D126-Y137 PolarHBondContact OD2-OH 2.92Å
127	V	97.3	Very high	96.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.8	174.9	-60.9	0	0	0	0	110.8	S26 H27 R132 V189 L192	S26-V127 WeakPolarHBondContact CA-O 3.33Å; H27-V127 HydrophobicContact CB-CG2 3.95Å; H27-V127 PolarHBondContact N-O 2.85Å; H27-V127 PolarHBondContact O-N 2.88Å; V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.27Å; V127-R132 WeakPolarHBondContact CB-O 3.21Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.05Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.96Å; V127-L192 HydrophobicContact CG2-CD2 3.6Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	94.6	Very high	96.8	Very high	10 Å²	10	43.5 Å²	43.5	10%	0.103	22%	0.218	C	C	.	.			trans	-75.8	179.9	172.6	0	0	0	0	0	111.9	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.59Å; G128-D130 PolarHBondContact O-N 2.98Å; G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 3.24Å; G128-R132 PolarHBondContact N-O 3.18Å
129	S	89.9	Confident	96.8	Very high	100 Å²	100	45.1 Å²	45.1	70%	0.699	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.4	177.3	53.4	0	0	0	0	114.5	G25	G25-S129 WeakPolarHBondContact O-CA 3.48Å; G25-S129 VanDerWaalsContact O-CB 3.3Å; G25-S129 WeakPolarHBondContact O-CB 3.39Å; G25-S129 PolarHBondContact O-N 2.61Å
130	D	89.9	Confident	96.8	Very high	86 Å²	86	45.8 Å²	45.8	46%	0.46	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.5	169.9	60.3	14.1	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 2.98Å; D130-R132 PolarHBondContact O-N 3.03Å; D130-R132 VanDerWaalsContact OD1-CB 3.27Å; D130-R132 WeakPolarHBondContact OD1-CB 3.39Å; D130-R132 WeakPolarHBondContact OD1-CG 3.41Å; D130-R132 PolarHBondContact OD1-N 3.4Å; D130-R132 IonicContact OD1-NE 3.72Å; D130-R132 IonicContact OD2-CZ 3.18Å; D130-R132 IonicContact OD2-NE 2.75Å; D130-R132 PolarHBondContact OD2-NE 3.21Å; D130-R132 IonicContact OD2-NH2 3.71Å; D130-R132 PolarHBondContact OD2-NH2 3.18Å
131	G	91.3	Very high	96.8	Very high	14 Å²	14	43 Å²	43	14%	0.144	22%	0.215	C	C	.	.			trans	71.7	6.6	-177.9	0	0	0	0	0	114.3	G128 R193	G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 3.24Å; G131-R193 PolarHBondContact O-NE 3.2Å; G131-R193 PolarHBondContact O-NH2 2.82Å
132	R	95.4	Very high	96.8	Very high	164 Å²	164	42.8 Å²	42.8	62%	0.619	21%	0.213	S	C	*	.			trans	-78.3	146.4	178.7	-66.8	-171.1	-68.4	173.8	-4.9	111.4	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.27Å; V127-R132 WeakPolarHBondContact CB-O 3.21Å; G128-R132 PolarHBondContact N-O 3.18Å; D130-R132 PolarHBondContact O-N 3.03Å; D130-R132 VanDerWaalsContact OD1-CB 3.27Å; D130-R132 WeakPolarHBondContact OD1-CB 3.39Å; D130-R132 WeakPolarHBondContact OD1-CG 3.41Å; D130-R132 PolarHBondContact OD1-N 3.4Å; D130-R132 IonicContact OD1-NE 3.72Å; D130-R132 IonicContact OD2-CZ 3.18Å; D130-R132 IonicContact OD2-NE 2.75Å; D130-R132 PolarHBondContact OD2-NE 3.21Å; D130-R132 IonicContact OD2-NH2 3.71Å; D130-R132 PolarHBondContact OD2-NH2 3.18Å; R132-L134 PolarHBondContact O-N 3.1Å
133	F	97.7	Very high	96.7	Very high	57 Å²	57	44.6 Å²	44.6	25%	0.25	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	129.7	175.3	-179	-100.9	0	0	0	111.5	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.36Å; C125-F133 HydrophobicContact CB-CE2 4.08Å; F133-R135 VanDerWaalsContact CE2-C 3.44Å; F133-R135 VanDerWaalsContact CE2-O 3.28Å; F133-R135 WeakPolarHBondContact CE2-O 3.14Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å; F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.67Å; F133-L184 HydrophobicContact CE2-CB 4.44Å; F133-L184 WeakPolarHBondContact CE2-O 3.44Å; F133-E185 HydrophobicContact CD1-CG 4.1Å; F133-E185 HydrophobicContact CE1-CG 3.94Å; F133-E185 HydrophobicContact CE2-CG 4.39Å; F133-E185 HydrophobicContact CG-CG 4.39Å; F133-E185 HydrophobicContact CZ-CG 4.08Å; F133-V189 HydrophobicContact CB-CG2 4.01Å; F133-V189 HydrophobicContact CD2-CG2 3.63Å; F133-V189 HydrophobicContact CG-CG2 4.3Å
134	L	97.1	Very high	96.7	Very high	107 Å²	107	45.6 Å²	45.6	56%	0.56	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110	-47.9	174.1	-66	-178.9	0	0	0	111.6	D126 R132	D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 3.45Å; R132-L134 PolarHBondContact O-N 3.1Å
135	R	97.4	Very high	96.7	Very high	93 Å²	93	53.2 Å²	53.2	35%	0.351	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	148.4	-171.8	-172.1	161.8	170.9	141.6	7.6	111.7	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.56Å; C125-R135 VanDerWaalsContact CA-O 3.27Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; D126-R135 HydrophobicContact CB-CB 4.32Å; D126-R135 PolarHBondContact N-O 3.42Å; D126-R135 PolarHBondContact O-N 3.32Å; F133-R135 VanDerWaalsContact CE2-C 3.44Å; F133-R135 VanDerWaalsContact CE2-O 3.28Å; F133-R135 WeakPolarHBondContact CE2-O 3.14Å; R135-Y137 HydrophobicContact CB-CE2 4.16Å; R135-Y137 VanDerWaalsContact CD-CZ 3.48Å; R135-Y137 WeakPolarHBondContact CD-OH 3.17Å; R135-Y137 HydrophobicContact CG-CD2 4.49Å; R135-Y137 HydrophobicContact CG-CE1 4.08Å; R135-Y137 HydrophobicContact CG-CE2 3.77Å; R135-Y137 PolarHBondContact NE-OH 3.47Å; R135-E152 VanDerWaalsContact CZ-CD 3.49Å; R135-E152 IonicContact CZ-OE1 2.68Å; R135-E152 IonicContact NH1-OE1 3.75Å; R135-E152 PolarHBondContact NH1-OE1 3.38Å; R135-E152 IonicContact NH1-OE2 2.69Å; R135-E152 VanDerWaalsContact NH2-CG 3.3Å; R135-E152 IonicContact NH2-OE1 3.63Å; R135-E152 PolarHBondContact NH2-OE1 2.62Å
136	G	98.1	Very high	96.7	Very high	4 Å²	4	59.2 Å²	59.2	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.7	174.8	0	0	0	0	0	110.6	G124 F133	G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.48Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å
137	Y	98.4	Very high	96.7	Very high	39 Å²	39	58.8 Å²	58.8	15%	0.153	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.6	-178.2	-51.9	-97.3	0	0	0	109.6	R30 M122 F123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.33Å; R30-Y137 PolarHBondContact NH2-OH 2.95Å; M122-Y137 HydrophobicContact CE-CD1 4.18Å; M122-Y137 HydrophobicContact CE-CG 4.17Å; M122-Y137 HydrophobicContact SD-CG 4.38Å; F123-Y137 WeakPolarHBondContact CA-O 3.36Å; F123-Y137 WeakPolarHBondContact CB-O 3.28Å; G124-Y137 PolarHBondContact N-O 3Å; G124-Y137 PolarHBondContact O-N 2.79Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.32Å; D126-Y137 PolarHBondContact OD2-OH 2.92Å; R135-Y137 HydrophobicContact CB-CE2 4.16Å; R135-Y137 VanDerWaalsContact CD-CZ 3.48Å; R135-Y137 WeakPolarHBondContact CD-OH 3.17Å; R135-Y137 HydrophobicContact CG-CD2 4.49Å; R135-Y137 HydrophobicContact CG-CE1 4.08Å; R135-Y137 HydrophobicContact CG-CE2 3.77Å; R135-Y137 PolarHBondContact NE-OH 3.47Å
138	H	98.5	Very high	96.8	Very high	14 Å²	14	58.9 Å²	58.9	7%	0.065	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	106.5	167.4	179.9	-85.8	0	0	0	108.5	M122 F123 Y140 L150 W157 W171 L180	M122-H138 WeakPolarHBondContact O-CA 3.37Å; F123-H138 HydrophobicContact CB-CB 4.29Å; H138-Y140 AromaticContact CE1-CE2 3.46Å; H138-Y140 VanDerWaalsContact CE1-CE2 3.46Å; H138-Y140 WeakPolarHBondContact CE1-CE2 3.48Å; H138-Y140 AromaticContact NE2-CE2 3.85Å; H138-L150 HydrophobicContact CB-CB 4.11Å; H138-L150 HydrophobicContact CB-CD2 4.23Å; H138-L150 WeakPolarHBondContact O-CB 3.19Å; H138-L150 PolarHBondContact O-N 2.92Å; H138-W157 AromaticContact ND1-CH2 3.84Å; H138-W157 AromaticContact ND1-CZ3 3.84Å; H138-W171 AromaticContact CE1-CH2 3.85Å; H138-W171 AromaticContact CE1-CZ3 3.96Å; H138-L180 HydrophobicContact CB-CD1 4.25Å
139	Q	98.5	Very high	97	Very high	73 Å²	73	59.9 Å²	59.9	34%	0.341	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.3	-172.4	61.6	-170.1	61.2	0	0	111.7	M121 M122 I148 A149	M121-Q139 CarbonylContact C-O 3.51Å; M121-Q139 VanDerWaalsContact CA-O 3.32Å; M121-Q139 WeakPolarHBondContact CA-O 3.28Å; M121-Q139 WeakPolarHBondContact CG-O 3.39Å; M122-Q139 HydrophobicContact CB-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-CD 3.44Å; M122-Q139 HydrophobicContact CE-CG 3.97Å; M122-Q139 PolarHBondContact N-O 2.85Å; M122-Q139 PolarHBondContact O-N 3.32Å; Q139-I148 WeakPolarHBondContact CA-O 3.44Å; Q139-A149 HydrophobicContact CB-CB 3.87Å
140	Y	98.6	Very high	97.4	Very high	21 Å²	21	55.9 Å²	55.9	8%	0.082	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.6	175.3	-76.9	-100.8	0	0	0	110.9	L119 Q120 M121 H138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 3.96Å; L119-Y140 HydrophobicContact CD2-CD1 4.38Å; L119-Y140 HydrophobicContact CD2-CE1 4.31Å; L119-Y140 HydrophobicContact CG-CD1 4.14Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 VanDerWaalsContact O-CA 3.23Å; Q120-Y140 WeakPolarHBondContact O-CA 3.41Å; M121-Y140 HydrophobicContact CB-CD1 3.92Å; M121-Y140 HydrophobicContact CB-CE1 3.83Å; M121-Y140 HydrophobicContact CB-CG 4.38Å; M121-Y140 HydrophobicContact CE-CE1 4.06Å; M121-Y140 HydrophobicContact CE-CE2 3.84Å; M121-Y140 WeakPolarHBondContact CE-OH 3.46Å; M121-Y140 HydrophobicContact CG-CD1 4.14Å; M121-Y140 HydrophobicContact CG-CD2 4.03Å; M121-Y140 HydrophobicContact CG-CE1 3.91Å; M121-Y140 HydrophobicContact CG-CE2 3.75Å; M121-Y140 HydrophobicContact CG-CG 4.24Å; H138-Y140 AromaticContact CE1-CE2 3.46Å; H138-Y140 VanDerWaalsContact CE1-CE2 3.46Å; H138-Y140 WeakPolarHBondContact CE1-CE2 3.48Å; H138-Y140 AromaticContact NE2-CE2 3.85Å; Y140-Y147 WeakPolarHBondContact O-CB 3.21Å; Y140-Y147 PolarHBondContact O-N 3.09Å; Y140-I148 HydrophobicContact CD2-CG2 4.4Å; Y140-I148 PolarHBondContact N-O 3.07Å; Y140-I148 PolarHBondContact O-N 2.87Å; Y140-W171 AromaticContact CD2-CH2 3.88Å; Y140-W171 HydrophobicContact CD2-CH2 3.88Å; Y140-W171 AromaticContact CE2-CH2 3.6Å; Y140-W171 HydrophobicContact CE2-CH2 3.6Å; Y140-W171 HydrophobicContact CE2-CZ2 4.36Å
141	A	98.8	Very high	97.8	Very high	16 Å²	16	56 Å²	56	13%	0.132	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.9	168.1	0	0	0	0	0	110.2	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 3.44Å; Q120-A141 PolarHBondContact O-N 3.38Å; A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.39Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.47Å
142	Y	98.6	Very high	98.1	Very high	11 Å²	11	61.9 Å²	61.9	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.1	177.7	-175.7	-116.3	0	0	0	109.8	L102 A105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.09Å; A105-Y142 HydrophobicContact CB-CD1 4.36Å; A105-Y142 HydrophobicContact CB-CD2 4.02Å; A105-Y142 HydrophobicContact CB-CE1 3.98Å; A105-Y142 HydrophobicContact CB-CE2 3.64Å; A105-Y142 HydrophobicContact CB-CG 4.37Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.55Å; Y109-Y142 HydrophobicContact CD2-CE1 3.55Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 2.75Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 WeakPolarHBondContact CB-OH 3.44Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.88Å; H117-Y142 PolarHBondContact ND1-OH 3.26Å; T118-Y142 CarbonylContact O-C 3.54Å; T118-Y142 WeakPolarHBondContact O-CA 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.39Å; L119-Y142 HydrophobicContact CD1-CD2 4.25Å; Y142-G144 PolarHBondContact O-N 2.68Å; Y142-K145 PolarHBondContact N-O 3.24Å; Y142-K145 PolarHBondContact O-N 2.68Å
143	D	98.1	Very high	98.2	Very high	61 Å²	61	57.8 Å²	57.8	33%	0.326	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	41	-174.4	-66.9	-22.1	0	0	0	113.5	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.43Å; H117-D143 WeakPolarHBondContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CB-OD1 3.29Å; H117-D143 IonicContact CE1-OD2 3.1Å; H117-D143 IonicContact CG-OD1 3.8Å; H117-D143 IonicContact CG-OD2 2.77Å; H117-D143 IonicContact ND1-OD1 3.7Å; H117-D143 IonicContact ND1-OD2 3Å; H117-D143 PolarHBondContact ND1-OD2 2.75Å; T118-D143 PolarHBondContact N-OD1 2.88Å; T118-D143 PolarHBondContact O-N 2.82Å; D143-K145 VanDerWaalsContact C-N 3.28Å; D143-K145 PolarHBondContact O-N 3Å
144	G	97.2	Very high	98.2	Very high	60 Å²	60	55.4 Å²	55.4	62%	0.619	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	9.1	178.4	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.68Å
145	K	98.3	Very high	98.2	Very high	159 Å²	159	58.3 Å²	58.3	69%	0.691	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	145.3	176.3	-60.7	-179.9	-175.8	176.5	0	110.5	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.39Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.47Å; Y142-K145 PolarHBondContact N-O 3.24Å; Y142-K145 PolarHBondContact O-N 2.68Å; D143-K145 VanDerWaalsContact C-N 3.28Å; D143-K145 PolarHBondContact O-N 3Å; K145-Y147 PolarHBondContact O-N 3.49Å
146	D	98.6	Very high	98.2	Very high	126 Å²	126	55.3 Å²	55.3	67%	0.674	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53	136.7	173.4	-67.7	-28.2	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.27Å; D146-A160 WeakPolarHBondContact O-CB 3.12Å
147	Y	98.6	Very high	98.2	Very high	18 Å²	18	55.3 Å²	55.3	7%	0.071	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-65	178.8	-179	-108.8	0	0	0	110.4	Y109 Y140 K145 A160 A164 T167	Y109-Y147 HydrophobicContact CE2-CD2 4.3Å; Y109-Y147 AromaticContact CE2-CE2 3.95Å; Y109-Y147 HydrophobicContact CE2-CE2 3.95Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.38Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.39Å; Y140-Y147 WeakPolarHBondContact O-CB 3.21Å; Y140-Y147 PolarHBondContact O-N 3.09Å; K145-Y147 PolarHBondContact O-N 3.49Å; Y147-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 PolarHBondContact O-N 3.05Å; Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 HydrophobicContact CE2-CB 3.76Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 PolarHBondContact OH-OG1 3.31Å
148	I	98.7	Very high	98.3	Very high	4 Å²	4	57 Å²	57	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	139.2	178.5	-163	173.3	0	0	0	110.6	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.44Å; Y140-I148 HydrophobicContact CD2-CG2 4.4Å; Y140-I148 PolarHBondContact N-O 3.07Å; Y140-I148 PolarHBondContact O-N 2.87Å; I148-W157 HydrophobicContact CD1-CB 4.3Å; I148-W157 HydrophobicContact CD1-CD2 4.35Å; I148-W157 HydrophobicContact CD1-CE3 4.13Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-Q168 HydrophobicContact CD1-CB 3.93Å; I148-W171 HydrophobicContact CD1-CE3 4.04Å; I148-W171 HydrophobicContact CD1-CZ3 4.28Å; I148-W171 HydrophobicContact CG2-CH2 4.07Å; I148-W171 HydrophobicContact CG2-CZ3 3.78Å
149	A	98.8	Very high	98.3	Very high	31 Å²	31	57.5 Å²	57.5	26%	0.256	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.8	179	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.87Å; A149-W157 WeakPolarHBondContact O-CA 3.34Å; A149-T158 PolarHBondContact N-O 2.98Å; A149-T158 PolarHBondContact O-N 3.44Å
150	L	98.8	Very high	98.2	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.8	168.6	-174.3	65.1	0	0	0	108.7	H138 L154 W157 A177 L180 L184	H138-L150 HydrophobicContact CB-CB 4.11Å; H138-L150 HydrophobicContact CB-CD2 4.23Å; H138-L150 WeakPolarHBondContact O-CB 3.19Å; H138-L150 PolarHBondContact O-N 2.92Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.71Å; L150-W157 HydrophobicContact CD1-CD2 4.21Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-L180 HydrophobicContact CD2-CB 4.34Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	K	98.4	Very high	98.2	Very high	89 Å²	89	58.5 Å²	58.5	39%	0.387	32%	0.319	S	S	.	.			trans	-74.1	165.6	177.9	-63.7	-164.3	-156.2	160.3	0	111.4	D153 L154 S156 W157 T158	K151-D153 PolarHBondContact O-N 3.31Å; K151-D153 VanDerWaalsContact O-N 3.1Å; K151-L154 PolarHBondContact O-N 3.32Å; K151-S156 WeakPolarHBondContact CB-O 3.44Å; K151-S156 VanDerWaalsContact CD-OG 3.27Å; K151-S156 WeakPolarHBondContact CD-OG 3.49Å; K151-S156 PolarHBondContact N-O 2.83Å; K151-W157 WeakPolarHBondContact CE-O 3.45Å; K151-T158 WeakPolarHBondContact CE-OG1 3.35Å; K151-T158 WeakPolarHBondContact CG-OG1 3.36Å
152	E	97.4	Very high	98.2	Very high	137 Å²	137	64 Å²	64	64%	0.64	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24	178.2	-64.7	-179.3	-171	0	0	113.8	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.49Å; R135-E152 IonicContact CZ-OE1 2.68Å; R135-E152 IonicContact NH1-OE1 3.75Å; R135-E152 PolarHBondContact NH1-OE1 3.38Å; R135-E152 IonicContact NH1-OE2 2.69Å; R135-E152 VanDerWaalsContact NH2-CG 3.3Å; R135-E152 IonicContact NH2-OE1 3.63Å; R135-E152 PolarHBondContact NH2-OE1 2.62Å; E152-L154 PolarHBondContact O-N 2.91Å
153	D	97.4	Very high	98.1	Very high	79 Å²	79	63.9 Å²	63.9	42%	0.422	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.2	175.1	68.3	9.9	0	0	0	114	K151 R155 S156	K151-D153 PolarHBondContact O-N 3.31Å; K151-D153 VanDerWaalsContact O-N 3.1Å; D153-R155 WeakPolarHBondContact O-CG 3.34Å; D153-R155 PolarHBondContact O-N 2.96Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.77Å; D153-S156 PolarHBondContact OD1-N 2.85Å; D153-S156 PolarHBondContact OD1-OG 3.41Å; D153-S156 PolarHBondContact OD2-OG 2.93Å
154	L	97.9	Very high	98.1	Very high	6 Å²	6	61 Å²	61	3%	0.031	33%	0.329	C	S	.	.	S	Bend	trans	53.1	26.1	-175	-52.2	178.3	0	0	0	114.1	F133 L150 K151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.67Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; K151-L154 PolarHBondContact O-N 3.32Å; E152-L154 PolarHBondContact O-N 2.91Å; L154-R181 HydrophobicContact CB-CB 4.13Å; L154-R181 HydrophobicContact CB-CG 3.93Å; L154-R181 HydrophobicContact CD1-CG 4.06Å; L154-L184 HydrophobicContact CD2-CD1 4.16Å; L154-E185 HydrophobicContact CD1-CG 4.08Å
155	R	97.4	Very high	98.2	Very high	169 Å²	169	61 Å²	61	64%	0.638	31%	0.314	S	S	*	.	S	Bend	trans	-131.5	-31	-175.2	-70.4	173.5	-170.8	-146.7	3.6	112.4	D153	D153-R155 WeakPolarHBondContact O-CG 3.34Å; D153-R155 PolarHBondContact O-N 2.96Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.77Å
156	S	97.7	Very high	98.2	Very high	29 Å²	29	56.5 Å²	56.5	20%	0.203	30%	0.296	C	S	.	.			trans	-120.8	164.3	-176.6	71.1	0	0	0	0	112.2	K151 D153	K151-S156 WeakPolarHBondContact CB-O 3.44Å; K151-S156 VanDerWaalsContact CD-OG 3.27Å; K151-S156 WeakPolarHBondContact CD-OG 3.49Å; K151-S156 PolarHBondContact N-O 2.83Å; D153-S156 PolarHBondContact OD1-N 2.85Å; D153-S156 PolarHBondContact OD1-OG 3.41Å; D153-S156 PolarHBondContact OD2-OG 2.93Å
157	W	98.7	Very high	98.1	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.019	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149	-173.3	-60.4	93.7	0	0	0	111.4	H138 I148 A149 L150 K151 Q168 W171 V176 A177 L180	H138-W157 AromaticContact ND1-CH2 3.84Å; H138-W157 AromaticContact ND1-CZ3 3.84Å; I148-W157 HydrophobicContact CD1-CB 4.3Å; I148-W157 HydrophobicContact CD1-CD2 4.35Å; I148-W157 HydrophobicContact CD1-CE3 4.13Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; A149-W157 WeakPolarHBondContact O-CA 3.34Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.71Å; L150-W157 HydrophobicContact CD1-CD2 4.21Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; K151-W157 WeakPolarHBondContact CE-O 3.45Å; W157-Q168 HydrophobicContact CB-CG 4.01Å; W157-W171 HydrophobicContact CD2-CE3 4.04Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CH2-CD2 4.38Å; W157-W171 AromaticContact CH2-CE3 3.23Å; W157-W171 HydrophobicContact CH2-CE3 3.23Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CB 4.48Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; 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 4.05Å; W157-W171 AromaticContact CZ3-CE3 3.47Å; W157-W171 HydrophobicContact CZ3-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.47Å; 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 4.11Å; W157-A177 HydrophobicContact CZ2-CB 4.19Å; W157-L180 HydrophobicContact CH2-CD1 3.43Å; W157-L180 VanDerWaalsContact CH2-CD1 3.43Å; W157-L180 HydrophobicContact CZ2-CD1 3.96Å
158	T	98.6	Very high	98.1	Very high	75 Å²	75	52.3 Å²	52.3	46%	0.46	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.7	165.1	-60.1	0	0	0	0	107.9	I148 A149 K151	I148-T158 WeakPolarHBondContact CA-O 3.49Å; A149-T158 PolarHBondContact N-O 2.98Å; A149-T158 PolarHBondContact O-N 3.44Å; K151-T158 WeakPolarHBondContact CE-OG1 3.35Å; K151-T158 WeakPolarHBondContact CG-OG1 3.36Å
159	A	98.6	Very high	98.1	Very high	24 Å²	24	59.2 Å²	59.2	20%	0.198	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134	172.5	0	0	0	0	0	109.9	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.78Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.3	Very high	98.1	Very high	59 Å²	59	63.3 Å²	63.3	49%	0.488	31%	0.312	S	S	.	.	S	Bend	trans	-77.1	-30.4	-176.5	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.27Å; D146-A160 WeakPolarHBondContact O-CB 3.12Å; Y147-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 PolarHBondContact O-N 3.05Å
161	D	97.9	Very high	98.1	Very high	55 Å²	55	65 Å²	65	29%	0.294	32%	0.317	S	S	.	.	S	Bend	trans	-151.2	-175.6	-178.2	66.5	31.3	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.27Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.18Å; Y109-D161 PolarHBondContact OH-OD2 2.88Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.29Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.14Å; D161-A163 PolarHBondContact OD1-N 2.82Å; D161-A164 PolarHBondContact O-N 3.41Å; D161-A164 PolarHBondContact OD1-N 2.86Å; D161-Q165 WeakPolarHBondContact O-CG 3.36Å; D161-Q165 PolarHBondContact O-N 2.96Å
162	M	97.6	Very high	98.1	Very high	131 Å²	131	65.1 Å²	65.1	65%	0.645	32%	0.319	S	S	*	.	H	α-helix	trans	-65.1	-29.5	-179.1	-66.1	-57.7	-60.1	0	0	113.7	Q165	M162-Q165 PolarHBondContact SD-OE1 2.91Å
163	A	97.3	Very high	98.1	Very high	10 Å²	10	62.7 Å²	62.7	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-72.1	-45	175.8	0	0	0	0	0	110	Y109 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.14Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.49Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.29Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.14Å; D161-A163 PolarHBondContact OD1-N 2.82Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.34Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 3.08Å
164	A	98.2	Very high	98.1	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-32.9	175	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.88Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 HydrophobicContact CE2-CB 3.76Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; A159-A164 HydrophobicContact CB-CB 3.78Å; D161-A164 PolarHBondContact O-N 3.41Å; D161-A164 PolarHBondContact OD1-N 2.86Å; A164-I166 PolarHBondContact O-N 3.46Å; A164-T167 WeakPolarHBondContact O-CB 3.35Å; A164-T167 PolarHBondContact O-N 3.03Å; A164-T167 VanDerWaalsContact O-N 3.07Å; A164-Q168 PolarHBondContact O-N 3.22Å
165	Q	98.6	Very high	98.1	Very high	61 Å²	61	69.1 Å²	69.1	29%	0.285	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-28.6	173.3	-74.4	177.7	18.8	0	0	113.1	A159 D161 M162 A163 Q168 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.36Å; D161-Q165 PolarHBondContact O-N 2.96Å; M162-Q165 PolarHBondContact SD-OE1 2.91Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.34Å; Q165-Q168 PolarHBondContact O-N 2.92Å; Q165-R169 WeakPolarHBondContact O-CG 2.98Å; Q165-R169 PolarHBondContact O-N 3.1Å; Q165-R169 VanDerWaalsContact O-N 3.09Å
166	I	98.2	Very high	98.2	Very high	64 Å²	64	62.4 Å²	62.4	33%	0.328	33%	0.332	S	S	.	.	H	α-helix	trans	-66.7	-45	174.7	-55.6	171.7	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CE1-CD1 4.38Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.06Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.3Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 3.08Å; A164-I166 PolarHBondContact O-N 3.46Å; I166-K170 WeakPolarHBondContact O-CG 3.31Å; I166-K170 PolarHBondContact O-N 2.88Å
167	T	98	Very high	98.2	Very high	16 Å²	16	61.4 Å²	61.4	10%	0.098	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-45.4	174.3	-67.7	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 PolarHBondContact OH-OG1 3.31Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; A164-T167 WeakPolarHBondContact O-CB 3.35Å; A164-T167 PolarHBondContact O-N 3.03Å; A164-T167 VanDerWaalsContact O-N 3.07Å; T167-R169 PolarHBondContact O-N 3.22Å; T167-K170 WeakPolarHBondContact O-CB 3.36Å; T167-K170 PolarHBondContact O-N 2.84Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.79Å; T167-W171 HydrophobicContact CG2-CE3 4.27Å; T167-W171 HydrophobicContact CG2-CG 4.12Å; T167-W171 HydrophobicContact CG2-CH2 4.43Å; T167-W171 HydrophobicContact CG2-CZ2 3.97Å; T167-W171 PolarHBondContact O-N 2.78Å
168	Q	98.6	Very high	98.1	Very high	39 Å²	39	66.7 Å²	66.7	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-52.5	-52.9	177.8	175.9	176.3	5.4	0	0	111.6	I148 W157 A159 A164 Q165 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.93Å; W157-Q168 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 3.22Å; Q165-Q168 PolarHBondContact O-N 2.92Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.19Å; Q168-W171 PolarHBondContact O-N 3.07Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.3Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.43Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.21Å
169	R	98.6	Very high	98.1	Very high	149 Å²	149	69.9 Å²	69.9	56%	0.562	36%	0.36	S	S	*	.	H	α-helix	trans	-59.6	-39.2	-179.7	-68.2	171.1	-163.3	160.1	8.6	112.3	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 2.98Å; Q165-R169 PolarHBondContact O-N 3.1Å; Q165-R169 VanDerWaalsContact O-N 3.09Å; T167-R169 PolarHBondContact O-N 3.22Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.46Å; R169-A173 PolarHBondContact O-N 2.82Å
170	K	98	Very high	98	Very high	118 Å²	118	70.2 Å²	70.2	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-44.6	176.4	-72.2	178.8	175.8	-176.2	0	111.5	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.49Å; I166-K170 WeakPolarHBondContact O-CG 3.31Å; I166-K170 PolarHBondContact O-N 2.88Å; T167-K170 WeakPolarHBondContact O-CB 3.36Å; T167-K170 PolarHBondContact O-N 2.84Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.19Å; K170-A173 PolarHBondContact O-N 3.16Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.88Å
171	W	98.2	Very high	98	Very high	49 Å²	49	71 Å²	71	19%	0.186	35%	0.349	C	S	.	.	H	α-helix	trans	-70.4	-35.5	-179.2	-76.3	9.3	0	0	0	112.9	H138 Y140 I148 W157 T167 Q168 A174 R175 V176	H138-W171 AromaticContact CE1-CH2 3.85Å; H138-W171 AromaticContact CE1-CZ3 3.96Å; Y140-W171 AromaticContact CD2-CH2 3.88Å; Y140-W171 HydrophobicContact CD2-CH2 3.88Å; Y140-W171 AromaticContact CE2-CH2 3.6Å; Y140-W171 HydrophobicContact CE2-CH2 3.6Å; Y140-W171 HydrophobicContact CE2-CZ2 4.36Å; I148-W171 HydrophobicContact CD1-CE3 4.04Å; I148-W171 HydrophobicContact CD1-CZ3 4.28Å; I148-W171 HydrophobicContact CG2-CH2 4.07Å; I148-W171 HydrophobicContact CG2-CZ3 3.78Å; W157-W171 HydrophobicContact CD2-CE3 4.04Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CH2-CD2 4.38Å; W157-W171 AromaticContact CH2-CE3 3.23Å; W157-W171 HydrophobicContact CH2-CE3 3.23Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CB 4.48Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; 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 4.05Å; W157-W171 AromaticContact CZ3-CE3 3.47Å; W157-W171 HydrophobicContact CZ3-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.47Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.79Å; T167-W171 HydrophobicContact CG2-CE3 4.27Å; T167-W171 HydrophobicContact CG2-CG 4.12Å; T167-W171 HydrophobicContact CG2-CH2 4.43Å; T167-W171 HydrophobicContact CG2-CZ2 3.97Å; T167-W171 PolarHBondContact O-N 2.78Å; Q168-W171 PolarHBondContact O-N 3.07Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.91Å; W171-R175 PolarHBondContact O-N 2.85Å; W171-V176 HydrophobicContact CB-CB 4Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CG1 4.31Å; W171-V176 HydrophobicContact CG-CB 4.15Å; W171-V176 HydrophobicContact CG-CG1 4.43Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 3.18Å
172	E	98.4	Very high	98	Very high	92 Å²	92	71.6 Å²	71.6	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-65.3	-47.4	172	-73.3	171.2	172.8	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.3Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.43Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.21Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.8Å; E172-R175 PolarHBondContact O-N 2.61Å
173	A	98.3	Very high	98	Very high	87 Å²	87	68.7 Å²	68.7	72%	0.719	34%	0.343	S	S	*	.	H	α-helix	trans	-61	-36.9	176.7	0	0	0	0	0	112.5	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.46Å; R169-A173 PolarHBondContact O-N 2.82Å; K170-A173 PolarHBondContact O-N 3.16Å; A173-R175 VanDerWaalsContact C-N 3.33Å
174	A	98.1	Very high	98.1	Very high	63 Å²	63	68.3 Å²	68.3	52%	0.521	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	1	176.7	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.88Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.91Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.8Å; A174-V176 HydrophobicContact CB-CG2 4.04Å; A174-V176 PolarHBondContact O-N 2.67Å
175	R	97.6	Very high	98.1	Very high	157 Å²	157	71.9 Å²	71.9	59%	0.592	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	37.8	-179	-57.7	-178.7	173.6	-152.9	4.6	114.3	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 2.61Å; A173-R175 VanDerWaalsContact C-N 3.33Å; R175-A177 PolarHBondContact O-N 2.86Å; R175-A177 VanDerWaalsContact O-N 3.17Å; R175-E178 HydrophobicContact CB-CG 4.29Å; R175-E178 WeakPolarHBondContact CD-OE1 3.43Å; R175-E178 IonicContact CZ-OE1 3.3Å; R175-E178 IonicContact NH1-OE1 3.63Å; R175-E178 PolarHBondContact NH1-OE1 2.97Å; R175-E178 IonicContact NH1-OE2 2.78Å; R175-E178 PolarHBondContact O-N 2.92Å
176	V	98.2	Very high	98.1	Very high	28 Å²	28	70.1 Å²	70.1	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-57.7	-34.2	-177.8	176.3	0	0	0	0	112	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 4.11Å; W171-V176 HydrophobicContact CB-CB 4Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CG1 4.31Å; W171-V176 HydrophobicContact CG-CB 4.15Å; W171-V176 HydrophobicContact CG-CG1 4.43Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 3.18Å; A174-V176 HydrophobicContact CB-CG2 4.04Å; A174-V176 PolarHBondContact O-N 2.67Å; V176-E178 VanDerWaalsContact C-N 3.28Å; V176-E178 PolarHBondContact O-N 3.3Å; V176-Q179 PolarHBondContact O-N 3.1Å; V176-L180 HydrophobicContact CG1-CD1 3.86Å; V176-L180 HydrophobicContact CG1-CG 4.19Å; V176-L180 WeakPolarHBondContact O-CG 3.25Å; V176-L180 PolarHBondContact O-N 2.84Å
177	A	98.3	Very high	98	Very high	8 Å²	8	71.1 Å²	71.1	7%	0.066	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-34.9	178.1	0	0	0	0	0	113	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; W157-A177 HydrophobicContact CZ2-CB 4.19Å; R175-A177 PolarHBondContact O-N 2.86Å; R175-A177 VanDerWaalsContact O-N 3.17Å; A177-Q179 PolarHBondContact O-N 3.14Å; A177-L180 PolarHBondContact O-N 3.02Å; A177-R181 WeakPolarHBondContact O-CB 3.13Å; A177-R181 PolarHBondContact O-N 2.92Å
178	E	97.6	Very high	98.1	Very high	116 Å²	116	70.4 Å²	70.4	54%	0.542	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-40.7	178.8	-64.6	177.9	-171.1	0	0	111.3	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.29Å; R175-E178 WeakPolarHBondContact CD-OE1 3.43Å; R175-E178 IonicContact CZ-OE1 3.3Å; R175-E178 IonicContact NH1-OE1 3.63Å; R175-E178 PolarHBondContact NH1-OE1 2.97Å; R175-E178 IonicContact NH1-OE2 2.78Å; R175-E178 PolarHBondContact O-N 2.92Å; V176-E178 VanDerWaalsContact C-N 3.28Å; V176-E178 PolarHBondContact O-N 3.3Å; E178-A182 PolarHBondContact O-N 3.13Å; E178-A182 VanDerWaalsContact O-N 3.11Å
179	Q	96.6	Very high	98	Very high	142 Å²	142	68.7 Å²	68.7	66%	0.664	35%	0.352	S	S	*	.	H	α-helix	trans	-67.9	-45.8	177.6	-63.4	178	-3.7	0	0	111.5	V176 A177 R181 A182 Y183	V176-Q179 PolarHBondContact O-N 3.1Å; A177-Q179 PolarHBondContact O-N 3.14Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.18Å; Q179-A182 PolarHBondContact O-N 3.38Å; Q179-Y183 PolarHBondContact O-N 3.46Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	L	97.9	Very high	98	Very high	30 Å²	30	66.1 Å²	66.1	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-41.9	177.6	-70	173.8	0	0	0	111.4	H138 L150 W157 V176 A177 A182 Y183 L184	H138-L180 HydrophobicContact CB-CD1 4.25Å; L150-L180 HydrophobicContact CD2-CB 4.34Å; W157-L180 HydrophobicContact CH2-CD1 3.43Å; W157-L180 VanDerWaalsContact CH2-CD1 3.43Å; W157-L180 HydrophobicContact CZ2-CD1 3.96Å; V176-L180 HydrophobicContact CG1-CD1 3.86Å; V176-L180 HydrophobicContact CG1-CG 4.19Å; V176-L180 WeakPolarHBondContact O-CG 3.25Å; V176-L180 PolarHBondContact O-N 2.84Å; A177-L180 PolarHBondContact O-N 3.02Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.14Å; L180-Y183 PolarHBondContact O-N 3.39Å; L180-L184 WeakPolarHBondContact O-CB 3.18Å; L180-L184 WeakPolarHBondContact O-CG 3.27Å; L180-L184 PolarHBondContact O-N 2.84Å
181	R	98.3	Very high	98	Very high	76 Å²	76	61.2 Å²	61.2	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-58.9	-45.3	175.8	-176.6	173.8	-178.3	-136.8	-17	111.8	L154 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.13Å; L154-R181 HydrophobicContact CB-CG 3.93Å; L154-R181 HydrophobicContact CD1-CG 4.06Å; A177-R181 WeakPolarHBondContact O-CB 3.13Å; A177-R181 PolarHBondContact O-N 2.92Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.18Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 3.29Å; R181-L184 PolarHBondContact O-N 3.3Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 IonicContact CZ-OE2 3.3Å; R181-E185 IonicContact NE-OE1 3.37Å; R181-E185 PolarHBondContact NE-OE1 3.06Å; R181-E185 IonicContact NE-OE2 3.12Å; R181-E185 PolarHBondContact NE-OE2 3.18Å; R181-E185 IonicContact NH2-OE1 2.68Å; R181-E185 PolarHBondContact NH2-OE1 2.69Å; R181-E185 IonicContact NH2-OE2 3.87Å; R181-E185 PolarHBondContact NH2-OE2 2.95Å; R181-E185 WeakPolarHBondContact O-CB 3.39Å; R181-E185 PolarHBondContact O-N 2.81Å
182	A	98.1	Very high	97.9	Very high	67 Å²	67	58.9 Å²	58.9	55%	0.554	32%	0.323	S	S	*	.	H	α-helix	trans	-60.7	-41.1	177.3	0	0	0	0	0	112.4	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.13Å; E178-A182 VanDerWaalsContact O-N 3.11Å; Q179-A182 PolarHBondContact O-N 3.38Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.14Å; A182-G186 PolarHBondContact O-N 2.9Å; A182-G186 VanDerWaalsContact O-N 3.17Å
183	Y	97.8	Very high	97.9	Very high	70 Å²	70	59.6 Å²	59.6	28%	0.275	32%	0.322	S	S	.	.	I	π-helix	trans	-66.1	-47.5	174.5	172.8	-95.2	0	0	0	112.3	F123 Q179 L180 R181 G186 T187 C188	F123-Y183 AromaticContact CD2-CE1 3.9Å; F123-Y183 HydrophobicContact CD2-CE1 3.9Å; F123-Y183 AromaticContact CE2-CE1 3.76Å; F123-Y183 HydrophobicContact CE2-CE1 3.76Å; Q179-Y183 PolarHBondContact O-N 3.46Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 3.39Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 3.29Å; Y183-G186 CarbonylContact O-C 3.52Å; Y183-G186 PolarHBondContact O-N 2.81Å; Y183-T187 HydrophobicContact CD2-CG2 4.06Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 2.88Å; Y183-T187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.36Å; Y183-C188 PolarHBondContact O-N 2.83Å
184	L	98.6	Very high	97.8	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	31%	0.312	C	S	.	.	I	π-helix	trans	-69.1	-41.5	-174.4	-70.3	171.2	0	0	0	112.7	G124 F133 L150 L154 L180 R181 V189	G124-L184 VanDerWaalsContact O-CD2 3.25Å; G124-L184 WeakPolarHBondContact O-CD2 3.29Å; F133-L184 HydrophobicContact CE2-CB 4.44Å; F133-L184 WeakPolarHBondContact CE2-O 3.44Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 4.16Å; L180-L184 WeakPolarHBondContact O-CB 3.18Å; L180-L184 WeakPolarHBondContact O-CG 3.27Å; L180-L184 PolarHBondContact O-N 2.84Å; R181-L184 PolarHBondContact O-N 3.3Å; L184-V189 WeakPolarHBondContact O-CG2 3.46Å
185	E	98.3	Very high	97.7	Very high	76 Å²	76	59.4 Å²	59.4	36%	0.355	29%	0.289	S	S	.	.	I	π-helix	trans	-79.4	-20.1	178.2	-67.7	-178.2	174.7	0	0	112.7	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.1Å; F133-E185 HydrophobicContact CE1-CG 3.94Å; F133-E185 HydrophobicContact CE2-CG 4.39Å; F133-E185 HydrophobicContact CG-CG 4.39Å; F133-E185 HydrophobicContact CZ-CG 4.08Å; L154-E185 HydrophobicContact CD1-CG 4.08Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 IonicContact CZ-OE2 3.3Å; R181-E185 IonicContact NE-OE1 3.37Å; R181-E185 PolarHBondContact NE-OE1 3.06Å; R181-E185 IonicContact NE-OE2 3.12Å; R181-E185 PolarHBondContact NE-OE2 3.18Å; R181-E185 IonicContact NH2-OE1 2.68Å; R181-E185 PolarHBondContact NH2-OE1 2.69Å; R181-E185 IonicContact NH2-OE2 3.87Å; R181-E185 PolarHBondContact NH2-OE2 2.95Å; R181-E185 WeakPolarHBondContact O-CB 3.39Å; R181-E185 PolarHBondContact O-N 2.81Å
186	G	97.9	Very high	97.6	Very high	24 Å²	24	52.6 Å²	52.6	25%	0.247	27%	0.265	C	S	.	.	I	π-helix	trans	-112.6	-93.2	-176.9	0	0	0	0	0	112.9	A182 Y183 C188 V189 D190	A182-G186 PolarHBondContact O-N 2.9Å; A182-G186 VanDerWaalsContact O-N 3.17Å; Y183-G186 CarbonylContact O-C 3.52Å; Y183-G186 PolarHBondContact O-N 2.81Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 2.92Å; G186-C188 VanDerWaalsContact O-N 3.13Å; G186-V189 WeakPolarHBondContact O-CB 3.46Å; G186-V189 PolarHBondContact O-N 3.05Å; G186-D190 PolarHBondContact O-N 2.74Å
187	T	97.6	Very high	97.5	Very high	85 Å²	85	57.2 Å²	57.2	52%	0.521	28%	0.284	S	S	.	.	I	π-helix	trans	-52.5	-39.5	-171.7	-52.5	0	0	0	0	113.9	Y183 G191	Y183-T187 HydrophobicContact CD2-CG2 4.06Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 2.88Å; Y183-T187 VanDerWaalsContact O-N 3.11Å; T187-G191 PolarHBondContact O-N 2.87Å
188	C	98.3	Very high	97.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-46.9	177.3	-175.2	0	0	0	0	111.5	M29 C125 Y183 G186 G191 L192	M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.24Å; M29-C188 VanDerWaalsContact CE-SG 3.54Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 2.85Å; C125-C188 WeakPolarHBondContact SG-CB 3.25Å; C125-C188 PolarHBondContact SG-O 3.33Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.4Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.36Å; Y183-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 2.92Å; G186-C188 VanDerWaalsContact O-N 3.13Å; C188-G191 PolarHBondContact O-N 2.87Å; C188-L192 WeakPolarHBondContact O-CB 3.18Å; C188-L192 PolarHBondContact O-N 3.06Å
189	V	98.4	Very high	97.3	Very high	4 Å²	4	54 Å²	54	2%	0.024	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-43.8	179.3	172.3	0	0	0	0	111	V127 F133 L184 G186 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.05Å; F133-V189 HydrophobicContact CB-CG2 4.01Å; F133-V189 HydrophobicContact CD2-CG2 3.63Å; F133-V189 HydrophobicContact CG-CG2 4.3Å; L184-V189 WeakPolarHBondContact O-CG2 3.46Å; G186-V189 WeakPolarHBondContact O-CB 3.46Å; G186-V189 PolarHBondContact O-N 3.05Å; V189-L192 PolarHBondContact O-N 3.46Å; V189-R193 WeakPolarHBondContact O-CG 3.42Å; V189-R193 PolarHBondContact O-N 3.11Å
190	D	97.8	Very high	97.1	Very high	95 Å²	95	52.3 Å²	52.3	51%	0.508	26%	0.261	S	S	.	.	H	α-helix	trans	-65.2	-41.9	178.8	-69	-25.3	0	0	0	111.7	G186 R193 R194	G186-D190 PolarHBondContact O-N 2.74Å; D190-R193 PolarHBondContact O-N 2.93Å; D190-R193 IonicContact OD1-NH1 3.57Å; D190-R194 WeakPolarHBondContact O-CB 3.49Å; D190-R194 PolarHBondContact O-N 2.75Å
191	G	96.9	Very high	96.8	Very high	14 Å²	14	59.4 Å²	59.4	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-48.5	173.1	0	0	0	0	0	112.1	T187 C188 R193 R194 Y195	T187-G191 PolarHBondContact O-N 2.87Å; C188-G191 PolarHBondContact O-N 2.87Å; G191-R193 PolarHBondContact O-N 3.08Å; G191-R194 WeakPolarHBondContact O-CB 3.32Å; G191-R194 PolarHBondContact O-N 2.86Å; G191-Y195 WeakPolarHBondContact O-CD2 3.42Å; G191-Y195 PolarHBondContact O-N 3.45Å
192	L	98	Very high	96.5	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-45.7	178	175.5	53.2	0	0	0	111.8	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L192 HydrophobicContact CB-CD2 4.49Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.17Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.96Å; V127-L192 HydrophobicContact CG2-CD2 3.6Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.18Å; C188-L192 PolarHBondContact O-N 3.06Å; V189-L192 PolarHBondContact O-N 3.46Å; L192-R194 PolarHBondContact O-N 2.91Å; L192-Y195 PolarHBondContact O-N 2.82Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.85Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 3.47Å
193	R	96.6	Very high	96.2	Very high	108 Å²	108	55 Å²	55	41%	0.408	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-44.8	176.1	-73.2	173.7	-176.9	167.2	-1.9	112.2	G131 V189 D190 G191 Y195 L196 E197	G131-R193 PolarHBondContact O-NE 3.2Å; G131-R193 PolarHBondContact O-NH2 2.82Å; V189-R193 WeakPolarHBondContact O-CG 3.42Å; V189-R193 PolarHBondContact O-N 3.11Å; D190-R193 PolarHBondContact O-N 2.93Å; D190-R193 IonicContact OD1-NH1 3.57Å; G191-R193 PolarHBondContact O-N 3.08Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.18Å; R193-L196 PolarHBondContact O-N 3.43Å; R193-E197 PolarHBondContact O-N 2.88Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194	R	96.3	Very high	95.8	Very high	132 Å²	132	55.8 Å²	55.8	50%	0.498	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-45.8	175.9	176.1	-177.5	175.4	153.9	7.9	111.3	E79 D190 G191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 3.34Å; E79-R194 PolarHBondContact OE1-NE 2.94Å; E79-R194 IonicContact OE1-NH2 2.82Å; E79-R194 PolarHBondContact OE1-NH2 3.25Å; E79-R194 IonicContact OE2-CZ 3.66Å; E79-R194 IonicContact OE2-NE 3.41Å; E79-R194 IonicContact OE2-NH2 2.62Å; E79-R194 PolarHBondContact OE2-NH2 2.92Å; D190-R194 WeakPolarHBondContact O-CB 3.49Å; D190-R194 PolarHBondContact O-N 2.75Å; G191-R194 WeakPolarHBondContact O-CB 3.32Å; G191-R194 PolarHBondContact O-N 2.86Å; L192-R194 PolarHBondContact O-N 2.91Å; R194-E197 PolarHBondContact O-N 3.42Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 3.25Å; R194-N198 PolarHBondContact O-OD1 3.07Å
195	Y	97.1	Very high	95.5	Very high	13 Å²	13	59.4 Å²	59.4	5%	0.051	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-36.7	-179.8	-60.1	-29.5	0	0	0	112.9	M29 V52 F57 W75 I76 Y83 G191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 4.12Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.81Å; F57-Y195 HydrophobicContact CE2-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.99Å; F57-Y195 HydrophobicContact CZ-CE2 3.99Å; W75-Y195 HydrophobicContact CH2-CG 4.4Å; W75-Y195 AromaticContact CZ3-CD1 3.98Å; W75-Y195 HydrophobicContact CZ3-CD1 3.98Å; W75-Y195 AromaticContact CZ3-CG 3.82Å; W75-Y195 HydrophobicContact CZ3-CG 3.82Å; I76-Y195 HydrophobicContact CD1-CD1 3.74Å; I76-Y195 HydrophobicContact CD1-CE1 3.37Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.34Å; Y83-Y195 PolarHBondContact OH-OH 3.1Å; G191-Y195 WeakPolarHBondContact O-CD2 3.42Å; G191-Y195 PolarHBondContact O-N 3.45Å; L192-Y195 PolarHBondContact O-N 2.82Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.18Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 2.8Å; Y195-N198 PolarHBondContact O-N 2.86Å; Y195-G199 WeakPolarHBondContact O-CA 3.46Å; Y195-G199 PolarHBondContact O-N 2.91Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å
196	L	96.1	Very high	95.2	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-35.1	173.9	-72.7	168.9	0	0	0	112.7	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 4.04Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.4Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.85Å; L192-L196 HydrophobicContact CG-CD1 3.95Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 3.47Å; R193-L196 PolarHBondContact O-N 3.43Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.38Å; L196-K200 PolarHBondContact O-N 3.42Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; L196-Q204 PolarHBondContact O-NE2 2.78Å
197	E	95.4	Very high	95.1	Very high	125 Å²	125	59.5 Å²	59.5	58%	0.584	29%	0.287	S	S	*	.	H	α-helix	trans	-72.5	-48.8	174.2	-171.6	59.3	-151	0	0	110.9	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.88Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 3.42Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 2.8Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.63Å; E197-K200 WeakPolarHBondContact O-CB 3.49Å; E197-K200 PolarHBondContact O-N 2.83Å
198	N	95.9	Very high	95.1	Very high	53 Å²	53	58.7 Å²	58.7	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-57.5	-41.3	177.7	-78.2	3.1	0	0	0	112.8	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.49Å; Q78-N198 PolarHBondContact NE2-ND2 2.87Å; E79-N198 PolarHBondContact OE1-ND2 2.79Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 3.25Å; R194-N198 PolarHBondContact O-OD1 3.07Å; Y195-N198 PolarHBondContact O-N 2.86Å
199	G	95.2	Very high	95.1	Very high	3 Å²	3	59.1 Å²	59.1	3%	0.031	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	18.2	-176.1	0	0	0	0	0	114	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CG-CA 3.49Å; Y195-G199 WeakPolarHBondContact O-CA 3.46Å; Y195-G199 PolarHBondContact O-N 2.91Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.63Å; G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.3Å; G199-T202 PolarHBondContact O-N 3.23Å; G199-L203 PolarHBondContact O-N 2.89Å
200	K	93.2	Very high	95.1	Very high	107 Å²	107	66.7 Å²	66.7	47%	0.465	32%	0.318	S	S	.	.	H	α-helix	trans	-48.5	-46	-170.7	-176.7	172.5	-173.6	170.7	0	114.3	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.38Å; L196-K200 PolarHBondContact O-N 3.42Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.49Å; E197-K200 PolarHBondContact O-N 2.83Å; K200-T202 PolarHBondContact O-N 2.97Å; K200-Q204 WeakPolarHBondContact O-CB 3.45Å; K200-Q204 PolarHBondContact O-N 3.3Å; K200-Q204 VanDerWaalsContact O-N 3.13Å
201	E	91.3	Very high	95	Very high	180 Å²	180	64 Å²	64	84%	0.841	31%	0.305	S	S	*	.	H	α-helix	trans	-65.2	-22.6	179.8	-62.9	-173.7	165.5	0	0	113.8	G199 R205	G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CB 3.4Å
202	T	91.1	Very high	94.9	Very high	46 Å²	46	67 Å²	67	28%	0.282	32%	0.316	S	S	.	.	H	α-helix	trans	-103.7	-42.7	-178	-56.4	0	0	0	0	112.7	G199 K200 R205	G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.3Å; G199-T202 PolarHBondContact O-N 3.23Å; K200-T202 PolarHBondContact O-N 2.97Å; T202-R205 WeakPolarHBondContact O-CD 3.22Å; T202-R205 WeakPolarHBondContact O-CG 3.43Å; T202-R205 PolarHBondContact O-NE 3.42Å
203	L	91.9	Very high	94.8	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-86	-31.6	-172.7	-63.1	172.1	0	0	0	112.6	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.28Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.31Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; G199-L203 PolarHBondContact O-N 2.89Å
204	Q	90.2	Very high	94.8	Very high	85 Å²	85	65.3 Å²	65.3	40%	0.397	32%	0.315	S	S	.	.	S	Bend	trans	-100.8	13.7	177.9	-56.3	178	33.9	0	0	111.9	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.78Å; K200-Q204 WeakPolarHBondContact O-CB 3.45Å; K200-Q204 PolarHBondContact O-N 3.3Å; K200-Q204 VanDerWaalsContact O-N 3.13Å
205	R	91.8	Very high	94.7	Very high	78 Å²	78	61.9 Å²	61.9	29%	0.294	31%	0.305	S	S	.	.			trans	-79	153.2	172.1	81.7	-169.7	170.9	171.3	3.3	109.6	E201 T202 Y233	E201-R205 WeakPolarHBondContact O-CB 3.4Å; T202-R205 WeakPolarHBondContact O-CD 3.22Å; T202-R205 WeakPolarHBondContact O-CG 3.43Å; T202-R205 PolarHBondContact O-NE 3.42Å; R205-Y233 HydrophobicContact CG-CD1 3.86Å; R205-Y233 HydrophobicContact CG-CE1 4.2Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.31Å
206	T	93	Very high	94.6	Very high	53 Å²	53	64.7 Å²	64.7	33%	0.325	32%	0.318	S	S	.	.			trans	-130	122.6	170.2	-29.8	0	0	0	0	108.9	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.33Å; T206-Y233 WeakPolarHBondContact CG2-O 3.23Å; T206-E288 HydrophobicContact CG2-CB 4.15Å; T206-E288 HydrophobicContact CG2-CG 4.27Å
207	N	95.4	Very high	94.4	Very high	50 Å²	50	68.7 Å²	68.7	27%	0.267	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-107	113.2	176.5	-68.4	-10.5	0	0	0	107.8	F232 Y233 H287	N207-F232 WeakPolarHBondContact O-CA 3.07Å; N207-F232 WeakPolarHBondContact O-CB 3.35Å; N207-Y233 PolarHBondContact N-O 3.5Å; N207-Y233 PolarHBondContact O-N 3.48Å; N207-Y233 VanDerWaalsContact O-N 3.1Å; N207-H287 PolarHBondContact O-CE1 2.95Å
208	P	97	Very high	94.3	Very high	68 Å²	68	67.3 Å²	67.3	44%	0.442	34%	0.341	S	S	.	.			trans	-66.1	147.5	177.8	25.3	-32.5	0	0	0	111.3	K210 L290	P208-K210 PolarHBondContact O-N 2.93Å; P208-L290 HydrophobicContact CB-CD2 3.89Å
209	P	98	Very high	94.2	Very high	9 Å²	9	67.3 Å²	67.3	6%	0.058	35%	0.345	C	S	.	.			trans	-66.4	131.5	177.9	27.6	-34.8	0	0	0	111.7	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.09Å; P209-T211 HydrophobicContact CG-CG2 4.28Å; P209-T211 PolarHBondContact O-N 2.71Å; P209-A229 HydrophobicContact CB-CB 3.81Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 3.94Å; P209-I237 HydrophobicContact CG-CD1 3.99Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	98	Very high	94	Very high	162 Å²	162	74.3 Å²	74.3	70%	0.704	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	111.5	163.3	-65.4	175.9	-175.4	172	0	107.8	P208 L230	P208-K210 PolarHBondContact O-N 2.93Å; K210-L230 PolarHBondContact N-O 2.87Å; K210-L230 PolarHBondContact O-N 2.96Å
211	T	97.4	Very high	94	Very high	38 Å²	38	76.1 Å²	76.1	23%	0.233	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144	-174.6	55.5	0	0	0	0	112.1	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.09Å; P209-T211 HydrophobicContact CG-CG2 4.28Å; P209-T211 PolarHBondContact O-N 2.71Å; T211-W228 WeakPolarHBondContact CA-O 3.27Å; T211-W228 WeakPolarHBondContact CB-O 3.19Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.5Å; T211-V285 HydrophobicContact CG2-CG1 4.26Å; T211-V285 HydrophobicContact CG2-CG2 4.1Å; T211-L294 HydrophobicContact CG2-CD1 4.36Å; T211-L296 HydrophobicContact CG2-CD1 4.04Å
212	H	95.1	Very high	94.2	Very high	79 Å²	79	71.9 Å²	71.9	37%	0.366	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	163.1	171.3	67.7	-77.3	0	0	0	110	W228	H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 WeakPolarHBondContact CE1-CB 3.49Å; H212-W228 AromaticContact CE1-CD1 3.83Å; H212-W228 AromaticContact CE1-CG 3.49Å; H212-W228 VanDerWaalsContact CE1-CG 3.49Å; H212-W228 PolarHBondContact N-O 3.31Å; H212-W228 AromaticContact NE2-CD1 3.46Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 3.05Å
213	M	95.6	Very high	94.4	Very high	33 Å²	33	69.8 Å²	69.8	16%	0.163	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.7	174.6	-76.1	-167.6	168.7	0	0	111.2	R226 W241 C283 L296 W298	M213-R226 CarbonylContact C-O 3.55Å; M213-R226 VanDerWaalsContact CA-O 3.31Å; M213-R226 WeakPolarHBondContact CA-O 3.35Å; M213-W241 HydrophobicContact CE-CH2 3.23Å; M213-W241 HydrophobicContact CE-CZ2 4.03Å; M213-W241 HydrophobicContact CE-CZ3 3.63Å; M213-W241 HydrophobicContact SD-CH2 4.03Å; M213-C283 HydrophobicContact CE-CB 3.4Å; M213-L296 HydrophobicContact CE-CB 3.7Å; M213-L296 VanDerWaalsContact CE-O 3.22Å; M213-L296 WeakPolarHBondContact CE-O 3.25Å; M213-W298 WeakPolarHBondContact SD-CA 3.26Å; M213-W298 HydrophobicContact SD-CB 3.84Å; M213-W298 PolarHBondContact SD-N 3.48Å
214	T	95	Very high	94.6	Very high	39 Å²	39	70.6 Å²	70.6	24%	0.239	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.2	168.1	52.3	0	0	0	0	110.4	H216 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.26Å; T214-R226 PolarHBondContact N-O 3.05Å; T214-R226 PolarHBondContact O-N 3.24Å; T214-W228 PolarHBondContact OG1-NE1 3.17Å
215	H	94.8	Very high	95	Very high	59 Å²	59	66.5 Å²	66.5	27%	0.273	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.7	-178.3	168.5	-89.6	0	0	0	108.9	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H215-T224 WeakPolarHBondContact CA-O 3.49Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-W298 HydrophobicContact CB-CZ2 4.18Å; H215-W298 AromaticContact CG-CE2 3.96Å; H215-W298 AromaticContact CG-CZ2 3.97Å; H215-W298 AromaticContact CG-NE1 3.94Å
216	H	94.1	Very high	95.2	Very high	73 Å²	73	65.2 Å²	65.2	34%	0.338	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	106	-178.1	-47.1	82.8	0	0	0	108.5	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.26Å; H216-I218 PolarHBondContact O-N 3.25Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; H216-T224 PolarHBondContact N-O 2.93Å; H216-T224 PolarHBondContact O-N 3.47Å; H216-R226 PolarHBondContact CE1-NH1 2.96Å; H216-R226 PolarHBondContact NE2-NH1 2.85Å
217	P	93.7	Very high	95.5	Very high	97 Å²	97	62.7 Å²	62.7	63%	0.63	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	131.3	172.5	-20.9	31.2	0	0	0	110.4
218	I	92.9	Very high	95.6	Very high	96 Å²	96	62.5 Å²	62.5	49%	0.492	32%	0.32	S	S	.	.			trans	-98.1	-46.6	172.1	-61	161.7	0	0	0	109.1	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 3.25Å; I218-E222 PolarHBondContact N-O 3.35Å; I218-T224 VanDerWaalsContact CD1-OG1 3.29Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.17Å; I218-V272 HydrophobicContact CD1-CG1 4.02Å; I218-V272 HydrophobicContact CD1-CG2 4.1Å
219	S	92.9	Very high	95.7	Very high	54 Å²	54	59.3 Å²	59.3	38%	0.378	30%	0.299	S	S	.	.	S	Bend	trans	-147.4	-178.4	178.2	72	0	0	0	0	110.1	H221 E222	S219-H221 PolarHBondContact O-N 3Å; S219-H221 PolarHBondContact OG-N 2.77Å; S219-E222 PolarHBondContact N-O 3.49Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 2.68Å
220	D	90.4	Very high	95.7	Very high	150 Å²	150	61.5 Å²	61.5	80%	0.802	31%	0.31	S	S	*	.	S	Bend	trans	-62.9	-19.7	173	-65.2	-22.7	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.37Å; D220-S275 PolarHBondContact O-OG 3.41Å
221	H	93.6	Very high	95.7	Very high	144 Å²	144	54.9 Å²	54.9	67%	0.667	29%	0.289	S	S	*	.	S	Bend	trans	-104.5	-16.6	-174.3	-56	-50.3	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3Å; S219-H221 PolarHBondContact OG-N 2.77Å; H221-P274 CarbonylContact O-C 3.6Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; H221-S275 PolarHBondContact O-N 2.91Å; H221-S275 PolarHBondContact O-OG 2.69Å
222	E	95.3	Very high	95.7	Very high	91 Å²	91	53.1 Å²	53.1	43%	0.425	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	147.3	-171	-66	178.9	176.2	0	0	112.6	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.35Å; S219-E222 PolarHBondContact N-O 3.49Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 2.68Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.35Å; E222-V273 WeakPolarHBondContact CA-O 3.38Å; E222-S275 PolarHBondContact N-OG 2.97Å
223	A	95.7	Very high	95.7	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.7	172.9	0	0	0	0	0	111.5	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; A223-V272 WeakPolarHBondContact O-CA 3.35Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 PolarHBondContact O-N 3.2Å
224	T	97.1	Very high	95.6	Very high	22 Å²	22	49 Å²	49	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.6	168.2	-53.1	0	0	0	0	110	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.49Å; H216-T224 PolarHBondContact N-O 2.93Å; H216-T224 PolarHBondContact O-N 3.47Å; I218-T224 VanDerWaalsContact CD1-OG1 3.29Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.17Å; T224-A270 HydrophobicContact CG2-CB 3.85Å; T224-V271 WeakPolarHBondContact CA-O 3.4Å
225	L	97.4	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.3	162.7	-66.1	-178.4	0	0	0	109.3	H215 W241 A270 V271 V273 E278 W298	H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.63Å; L225-W241 HydrophobicContact CB-CZ2 3.95Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.1Å; L225-W241 HydrophobicContact CD1-CZ3 4.29Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; L225-V271 HydrophobicContact CB-CG2 4.23Å; L225-V271 PolarHBondContact N-O 3.08Å; L225-V271 PolarHBondContact O-N 3.02Å; L225-V273 HydrophobicContact CD1-CG1 3.96Å; L225-V273 HydrophobicContact CD1-CG2 3.99Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.82Å; L225-E278 HydrophobicContact CD1-CB 4.04Å; L225-E278 HydrophobicContact CD1-CG 4.41Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; L225-W298 HydrophobicContact CD1-CB 4.21Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.3Å; L225-W298 HydrophobicContact CD2-CG 3.71Å
226	R	97.7	Very high	95.7	Very high	50 Å²	50	49.1 Å²	49.1	19%	0.189	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122	176.4	-173.9	177.7	-65.6	119.6	5.1	110.2	M213 T214 H216 W228 W268 A270	M213-R226 CarbonylContact C-O 3.55Å; M213-R226 VanDerWaalsContact CA-O 3.31Å; M213-R226 WeakPolarHBondContact CA-O 3.35Å; T214-R226 PolarHBondContact N-O 3.05Å; T214-R226 PolarHBondContact O-N 3.24Å; H216-R226 PolarHBondContact CE1-NH1 2.96Å; H216-R226 PolarHBondContact NE2-NH1 2.85Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; R226-W268 HydrophobicContact CG-CB 4.06Å; R226-W268 HydrophobicContact CG-CD2 4.15Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.27Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	97.9	Very high	95.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.6	175.4	-176.4	0	0	0	0	109.4	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.67Å; C227-W268 CarbonylContact O-C 3.5Å; C227-W268 WeakPolarHBondContact O-CA 3.42Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 2.86Å; C227-A269 PolarHBondContact N-O 3.1Å; C227-A269 PolarHBondContact O-N 3.32Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.44Å
228	W	98.3	Very high	95.9	Very high	47 Å²	47	43.9 Å²	43.9	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142	-179.8	-68.3	86.3	0	0	0	111	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.27Å; T211-W228 WeakPolarHBondContact CB-O 3.19Å; H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 WeakPolarHBondContact CE1-CB 3.49Å; H212-W228 AromaticContact CE1-CD1 3.83Å; H212-W228 AromaticContact CE1-CG 3.49Å; H212-W228 VanDerWaalsContact CE1-CG 3.49Å; H212-W228 PolarHBondContact N-O 3.31Å; H212-W228 AromaticContact NE2-CD1 3.46Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 3.05Å; T214-W228 PolarHBondContact OG1-NE1 3.17Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-L230 HydrophobicContact CZ3-CD2 4.5Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.2	162.8	0	0	0	0	0	108.1	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.81Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; A229-I237 HydrophobicContact CB-CD1 3.63Å; A229-L239 HydrophobicContact CB-CD1 4.09Å; A229-L239 HydrophobicContact CB-CD2 4.27Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.28Å; A229-K267 PolarHBondContact N-O 3.44Å; A229-K267 PolarHBondContact O-N 2.85Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.3	Very high	96.3	Very high	55 Å²	55	39 Å²	39	29%	0.288	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.6	-175.2	-58.5	179.4	0	0	0	111.4	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.87Å; K210-L230 PolarHBondContact O-N 2.96Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-L230 HydrophobicContact CZ3-CD2 4.5Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 3.49Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.6	Very high	96.6	Very high	24 Å²	24	31.9 Å²	31.9	25%	0.247	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.2	23.8	167.8	0	0	0	0	0	114.5	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.48Å; G231-F265 PolarHBondContact N-O 3.24Å
232	F	97.4	Very high	96.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	157.5	-178.3	59.6	-90	0	0	0	112.7	N207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	N207-F232 WeakPolarHBondContact O-CA 3.07Å; N207-F232 WeakPolarHBondContact O-CB 3.35Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 3.49Å; F232-P234 WeakPolarHBondContact CD2-O 3.18Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.23Å; F232-I237 HydrophobicContact CD2-CD1 4.05Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.31Å; F232-I237 HydrophobicContact CE2-CB 3.71Å; F232-I237 HydrophobicContact CE2-CD1 4.01Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.05Å; F232-I237 HydrophobicContact CZ-CD1 3.92Å; F232-I237 HydrophobicContact CZ-CG2 3.46Å; F232-I237 VanDerWaalsContact CZ-CG2 3.46Å; F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 WeakPolarHBondContact O-CA 3.34Å; F232-T264 WeakPolarHBondContact O-CB 3.39Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.48Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.85Å; F232-F265 PolarHBondContact O-N 3.32Å; F232-K267 HydrophobicContact CE1-CB 4.34Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	95.4	Very high	96.9	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.012	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-154.6	134.7	173.8	179.3	-84.5	0	0	0	108.6	D54 T55 R205 T206 N207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.39Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.49Å; T55-Y233 PolarHBondContact OG1-OH 2.89Å; T55-Y233 VanDerWaalsContact OG1-OH 3.07Å; R205-Y233 HydrophobicContact CG-CD1 3.86Å; R205-Y233 HydrophobicContact CG-CE1 4.2Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.31Å; T206-Y233 WeakPolarHBondContact CA-O 3.33Å; T206-Y233 WeakPolarHBondContact CG2-O 3.23Å; N207-Y233 PolarHBondContact N-O 3.5Å; N207-Y233 PolarHBondContact O-N 3.48Å; N207-Y233 VanDerWaalsContact O-N 3.1Å; Y233-G263 WeakPolarHBondContact CD2-O 3.17Å; Y233-F265 HydrophobicContact CD2-CD2 4.36Å; Y233-F265 AromaticContact CD2-CE2 3.9Å; Y233-F265 HydrophobicContact CD2-CE2 3.9Å; Y233-F265 HydrophobicContact CE2-CE2 4.35Å; Y233-H287 PolarHBondContact O-CE1 2.97Å; Y233-H287 VanDerWaalsContact O-CE1 3.22Å
234	P	94.4	Very high	96.8	Very high	23 Å²	23	31.3 Å²	31.3	15%	0.149	16%	0.162	C	C	.	.	S	Bend	cis	-72.3	178	4.8	30.9	-37.1	0	0	0	113.6	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.17Å; F232-P234 WeakPolarHBondContact CD2-O 3.18Å; P234-E236 VanDerWaalsContact C-N 3.29Å; P234-E236 PolarHBondContact O-N 3.3Å; P234-H287 PolarHBondContact O-NE2 3.13Å
235	A	95.9	Very high	96.5	Very high	12 Å²	12	32.6 Å²	32.6	10%	0.099	18%	0.18	C	C	.	.	S	Bend	trans	-69.1	-25.3	-175.8	0	0	0	0	0	113.4	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.1Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 2.93Å; A235-I237 PolarHBondContact O-N 2.72Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.48Å; A235-F265 HydrophobicContact CB-CD1 3.66Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.65Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.68Å
236	E	94.9	Very high	96.4	Very high	89 Å²	89	38.9 Å²	38.9	42%	0.416	21%	0.209	S	C	.	.			trans	-62.5	123.4	176.1	-171.2	74.2	-158.7	0	0	110.3	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.32Å; W23-E236 HydrophobicContact CE3-CB 3.99Å; W23-E236 HydrophobicContact CE3-CG 3.47Å; W23-E236 VanDerWaalsContact CE3-CG 3.47Å; W23-E236 HydrophobicContact CH2-CG 3.49Å; W23-E236 VanDerWaalsContact CH2-CG 3.49Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.38Å; W23-E236 WeakPolarHBondContact CH2-OE2 3.17Å; W23-E236 HydrophobicContact CZ2-CG 4.33Å; W23-E236 HydrophobicContact CZ3-CB 3.7Å; W23-E236 HydrophobicContact CZ3-CG 3.04Å; W23-E236 WeakPolarHBondContact CZ3-OE2 3.05Å; P234-E236 VanDerWaalsContact C-N 3.29Å; P234-E236 PolarHBondContact O-N 3.3Å; E236-H287 PolarHBondContact O-CD2 3.11Å
237	I	96.1	Very high	96.2	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.046	23%	0.225	C	C	.	.			trans	-152.7	143	173.4	-164.1	170.8	0	0	0	109.2	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.94Å; P209-I237 HydrophobicContact CG-CD1 3.99Å; A229-I237 HydrophobicContact CB-CD1 3.63Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.23Å; F232-I237 HydrophobicContact CD2-CD1 4.05Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.31Å; F232-I237 HydrophobicContact CE2-CB 3.71Å; F232-I237 HydrophobicContact CE2-CD1 4.01Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.05Å; F232-I237 HydrophobicContact CZ-CD1 3.92Å; F232-I237 HydrophobicContact CZ-CG2 3.46Å; F232-I237 VanDerWaalsContact CZ-CG2 3.46Å; A235-I237 PolarHBondContact O-N 2.72Å; I237-L239 HydrophobicContact CB-CD1 4.41Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.63Å; I237-L239 HydrophobicContact CG2-CD1 4.01Å; I237-K267 HydrophobicContact CG2-CB 4.09Å; I237-K267 HydrophobicContact CG2-CD 3.53Å; I237-K267 HydrophobicContact CG2-CG 4.46Å; I237-V285 HydrophobicContact CD1-CG1 3.87Å; I237-V285 HydrophobicContact CG1-CG1 4.22Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.32Å; I237-H287 HydrophobicContact CD1-CB 4.31Å; I237-H287 HydrophobicContact CG1-CB 4.07Å
238	T	96.8	Very high	96.1	Very high	50 Å²	50	41.9 Å²	41.9	31%	0.307	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122	172.7	-62.2	0	0	0	0	110	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T238-V285 WeakPolarHBondContact O-CA 3.35Å; T238-Q286 PolarHBondContact N-O 2.9Å; T238-Q286 PolarHBondContact O-N 3.11Å
239	L	97.4	Very high	95.5	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.4	172.2	-87.7	62.7	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.09Å; A229-L239 HydrophobicContact CB-CD2 4.27Å; I237-L239 HydrophobicContact CB-CD1 4.41Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.63Å; I237-L239 HydrophobicContact CG2-CD1 4.01Å; L239-L254 HydrophobicContact CB-CD1 4.09Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.26Å; L239-H284 WeakPolarHBondContact CA-O 3.21Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.49Å; L239-V285 HydrophobicContact CG-CG2 4.3Å
240	T	96.6	Very high	95	Very high	40 Å²	40	53.9 Å²	53.9	25%	0.245	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.9	178.2	48.6	0	0	0	0	110.9	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.04Å; T240-H284 PolarHBondContact N-O 3.31Å; T240-H284 PolarHBondContact O-N 3.17Å; T240-H284 WeakPolarHBondContact OG1-CB 3.06Å
241	W	97.5	Very high	94.4	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.5	172.8	-82.4	101.3	0	0	0	110.4	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.23Å; M213-W241 HydrophobicContact CE-CZ2 4.03Å; M213-W241 HydrophobicContact CE-CZ3 3.63Å; M213-W241 HydrophobicContact SD-CH2 4.03Å; L225-W241 HydrophobicContact CB-CH2 3.63Å; L225-W241 HydrophobicContact CB-CZ2 3.95Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.1Å; L225-W241 HydrophobicContact CD1-CZ3 4.29Å; C227-W241 HydrophobicContact CB-CZ2 3.67Å; W241-Q248 HydrophobicContact CB-CB 4.19Å; W241-Q248 PolarHBondContact O-N 3.34Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 2.83Å; W241-V271 HydrophobicContact CB-CG1 3.71Å; W241-V271 HydrophobicContact CD2-CB 4.5Å; W241-V271 HydrophobicContact CD2-CG1 4.09Å; W241-V271 HydrophobicContact CD2-CG2 3.58Å; W241-V271 HydrophobicContact CE3-CG2 3.82Å; W241-V271 HydrophobicContact CG-CB 4.41Å; W241-V271 HydrophobicContact CG-CG1 3.53Å; W241-V271 HydrophobicContact CG-CG2 3.97Å; W241-V271 HydrophobicContact CH2-CG2 4.22Å; W241-V271 HydrophobicContact CZ2-CG2 4.02Å; W241-V271 HydrophobicContact CZ3-CG2 4.15Å; W241-T282 WeakPolarHBondContact CA-O 3.37Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.16Å; W241-C283 HydrophobicContact CH2-CB 4.12Å; W241-C283 HydrophobicContact CZ2-CB 4.1Å; W241-C283 HydrophobicContact CZ3-CB 4.13Å
242	Q	97.3	Very high	94.2	Very high	44 Å²	44	56.8 Å²	56.8	21%	0.206	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.6	172	-67.4	-173.2	-10.6	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.28Å; Q242-D247 VanDerWaalsContact CG-OD1 3.32Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 2.92Å; Q242-Y281 CarbonylContact O-C 3.52Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.37Å; Q242-T282 PolarHBondContact N-O 3.24Å; Q242-T282 PolarHBondContact O-N 3.07Å; Q242-H284 PolarHBondContact OE1-NE2 2.84Å
243	R	96.7	Very high	94.2	Very high	80 Å²	80	62.1 Å²	62.1	30%	0.302	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.5	167.8	-178.8	-178.6	65.7	-164.5	-5.8	108.3	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.24Å; R243-E246 PolarHBondContact N-O 2.04Å; R243-E246 PolarHBondContact O-N 3.5Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-R280 WeakPolarHBondContact CA-O 3.34Å; R243-R280 HydrophobicContact CG-CB 4.29Å; R243-Y281 HydrophobicContact CB-CD1 4.13Å; R243-Y281 HydrophobicContact CB-CE1 3.98Å; R243-Y281 WeakPolarHBondContact CD-OH 3.34Å; R243-Y281 HydrophobicContact CG-CD2 4.44Å; R243-Y281 HydrophobicContact CG-CE1 4.24Å; R243-Y281 HydrophobicContact CG-CE2 4.1Å
244	D	94.2	Very high	94.2	Very high	101 Å²	101	66 Å²	66	54%	0.54	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	29.7	-174.9	-57	-42.6	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 3.19Å; D244-R280 IonicContact OD1-NE 3.59Å; D244-R280 IonicContact OD2-CZ 3.12Å; D244-R280 IonicContact OD2-NE 2.79Å; D244-R280 PolarHBondContact OD2-NE 3.25Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 3.38Å
245	G	90.9	Very high	94.3	Very high	49 Å²	49	66.4 Å²	66.4	51%	0.505	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-0.3	-177.5	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.24Å
246	E	94.8	Very high	94.3	Very high	131 Å²	131	73.4 Å²	73.4	61%	0.612	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.8	174.8	-62.9	-173.8	165.3	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.28Å; R243-E246 PolarHBondContact N-O 2.04Å; R243-E246 PolarHBondContact O-N 3.5Å; E246-Q248 PolarHBondContact O-NE2 3.02Å
247	D	94.5	Very high	94.5	Very high	99 Å²	99	71 Å²	71	53%	0.529	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.4	-179.4	-66.3	-28.2	0	0	0	112.6	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.32Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 2.92Å
248	Q	94.2	Very high	94.5	Very high	14 Å²	14	75 Å²	75	7%	0.065	39%	0.389	C	S	.	.			trans	-109.4	33.9	-177.4	-58.1	-59.7	-70.1	0	0	112.5	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.19Å; W241-Q248 PolarHBondContact O-N 3.34Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 3.02Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.89Å; Q248-D251 PolarHBondContact O-N 2.87Å; Q248-T252 WeakPolarHBondContact O-CB 2.94Å; Q248-T252 PolarHBondContact O-N 3.06Å; Q248-T252 VanDerWaalsContact O-N 3.12Å; Q248-T252 PolarHBondContact O-OG1 2.97Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å
249	T	87.3	Confident	94.5	Very high	106 Å²	106	77 Å²	77	65%	0.65	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.9	-169.2	-47.1	0	0	0	0	114.1
250	Q	87.1	Confident	94.4	Very high	193 Å²	193	79.1 Å²	79.1	90%	0.902	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-31.3	-178.2	-66.6	-174.9	6.5	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.89Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	85.9	Confident	94.3	Very high	116 Å²	116	81 Å²	81	62%	0.62	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	2.2	-178.1	-56.9	-48.1	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 2.87Å
252	T	93.7	Very high	94	Very high	24 Å²	24	86.1 Å²	86.1	15%	0.147	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.7	179.9	-62.6	0	0	0	0	110.8	Q248 Q250 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 2.94Å; Q248-T252 PolarHBondContact O-N 3.06Å; Q248-T252 VanDerWaalsContact O-N 3.12Å; Q248-T252 PolarHBondContact O-OG1 2.97Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.36Å; T252-L254 PolarHBondContact O-N 3.39Å; T252-A269 HydrophobicContact CG2-CB 3.96Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.41Å; T252-V271 HydrophobicContact CG2-CG1 4.36Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.03Å
253	E	96.3	Very high	93.7	Very high	113 Å²	113	85.9 Å²	85.9	53%	0.528	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	105.5	162.5	-173.5	-174.3	-169.7	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.87Å; E253-W268 HydrophobicContact CG-CZ3 3.81Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.37Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.45Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.28Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.25Å; E253-A270 PolarHBondContact O-N 2.87Å
254	L	96.3	Very high	93.7	Very high	85 Å²	85	82.7 Å²	82.7	45%	0.445	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.5	177.6	-174.7	68	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.09Å; T252-L254 HydrophobicContact CG2-CB 4.36Å; T252-L254 PolarHBondContact O-N 3.39Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
255	V	96.4	Very high	93.9	Very high	31 Å²	31	79 Å²	79	19%	0.188	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-87.2	152.4	173.7	-64.9	0	0	0	0	112.1	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 3.16Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.36Å; V255-W268 WeakPolarHBondContact CG2-O 3.43Å; V255-W268 PolarHBondContact N-O 3.44Å
256	E	96.4	Very high	94.2	Very high	158 Å²	158	78.8 Å²	78.8	74%	0.738	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-58.3	148.5	167.8	-68.3	-54.1	148.2	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 2.8Å
257	T	97.6	Very high	94.4	Very high	40 Å²	40	73.3 Å²	73.3	25%	0.245	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-66.6	130.1	175.1	-57.5	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.29Å; A235-T257 WeakPolarHBondContact O-CG2 3.48Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.35Å; T257-K267 PolarHBondContact OG1-NZ 3.16Å
258	R	96.8	Very high	94.6	Very high	92 Å²	92	69.7 Å²	69.7	35%	0.347	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.4	-175.6	68.6	-167.9	-177.4	-165.2	2	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.8Å; R258-F265 WeakPolarHBondContact O-CA 3.47Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.28Å; R258-Q266 WeakPolarHBondContact O-CG 3.32Å; R258-Q266 PolarHBondContact O-N 3.15Å
259	P	96.8	Very high	94.7	Very high	93 Å²	93	69 Å²	69	60%	0.604	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	145.3	177.1	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	96.1	Very high	95.2	Very high	51 Å²	51	64.1 Å²	64.1	42%	0.421	36%	0.36	S	S	.	.			trans	-89.2	-16.1	173	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 PolarHBondContact N-O 3.13Å
261	G	92.7	Very high	95.7	Very high	78 Å²	78	55.1 Å²	55.1	80%	0.804	32%	0.318	S	S	*	.	S	Bend	trans	95.9	-8.4	179.2	0	0	0	0	0	114.9
262	D	92.1	Very high	96.3	Very high	111 Å²	111	53.2 Å²	53.2	59%	0.594	31%	0.31	S	S	*	.	S	Bend	trans	-104.9	15.7	176.6	63.7	-3.5	0	0	0	112.9	T264	D262-T264 VanDerWaalsContact C-N 3.33Å; D262-T264 WeakPolarHBondContact OD1-CB 3.34Å; D262-T264 PolarHBondContact OD1-N 3Å; D262-T264 PolarHBondContact OD1-OG1 2.81Å
263	G	91.1	Very high	96.4	Very high	39 Å²	39	52 Å²	52	40%	0.402	30%	0.303	S	S	.	.	S	Bend	trans	80.4	9.5	-173.5	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.17Å
264	T	96.3	Very high	96.4	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.08	29%	0.292	C	S	.	.			trans	-111.6	173.3	170.1	74.3	0	0	0	0	112.1	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.48Å; F232-T264 WeakPolarHBondContact O-CA 3.34Å; F232-T264 WeakPolarHBondContact O-CB 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 PolarHBondContact N-O 3.13Å; D262-T264 VanDerWaalsContact C-N 3.33Å; D262-T264 WeakPolarHBondContact OD1-CB 3.34Å; D262-T264 PolarHBondContact OD1-N 3Å; D262-T264 PolarHBondContact OD1-OG1 2.81Å
265	F	98	Very high	96.2	Very high	24 Å²	24	47.6 Å²	47.6	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	162.5	-175.9	-63.3	-85	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.56Å; G231-F265 PolarHBondContact N-O 3.24Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.48Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.38Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.85Å; F232-F265 PolarHBondContact O-N 3.32Å; Y233-F265 HydrophobicContact CD2-CD2 4.36Å; Y233-F265 AromaticContact CD2-CE2 3.9Å; Y233-F265 HydrophobicContact CD2-CE2 3.9Å; Y233-F265 HydrophobicContact CE2-CE2 4.35Å; A235-F265 HydrophobicContact CB-CD1 3.66Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.65Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.69Å; A235-F265 HydrophobicContact CB-CZ 3.68Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.47Å; P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
266	Q	98.2	Very high	95.9	Very high	44 Å²	44	49.2 Å²	49.2	21%	0.206	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146	174.4	43.8	167.6	-21.4	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.28Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.28Å; R258-Q266 WeakPolarHBondContact O-CG 3.32Å; R258-Q266 PolarHBondContact O-N 3.15Å
267	K	98.5	Very high	95.8	Very high	15 Å²	15	44.6 Å²	44.6	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	153.5	176.4	-161.5	-176.9	-172.3	70.1	0	108.7	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.44Å; A229-K267 PolarHBondContact O-N 2.85Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.34Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.09Å; I237-K267 HydrophobicContact CG2-CD 3.53Å; I237-K267 HydrophobicContact CG2-CG 4.46Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 3.16Å; T257-K267 WeakPolarHBondContact OG1-CD 3.35Å; T257-K267 PolarHBondContact OG1-NZ 3.16Å
268	W	98.2	Very high	95.6	Very high	24 Å²	24	43.7 Å²	43.7	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157	169.5	59.4	-98.8	0	0	0	111.2	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.06Å; R226-W268 HydrophobicContact CG-CD2 4.15Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.27Å; C227-W268 CarbonylContact O-C 3.5Å; C227-W268 WeakPolarHBondContact O-CA 3.42Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 2.86Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.87Å; E253-W268 HydrophobicContact CG-CZ3 3.81Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.37Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.45Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.36Å; V255-W268 WeakPolarHBondContact CG2-O 3.43Å; V255-W268 PolarHBondContact N-O 3.44Å; W268-A270 HydrophobicContact CE3-CB 4Å; W268-A270 HydrophobicContact CZ3-CB 3.71Å
269	A	98	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.8	174.1	0	0	0	0	0	108.6	C227 L239 W241 T252 E253 L254	C227-A269 PolarHBondContact N-O 3.1Å; C227-A269 PolarHBondContact O-N 3.32Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.26Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 2.83Å; T252-A269 HydrophobicContact CG2-CB 3.96Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.28Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
270	A	97.6	Very high	95.4	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.8	-179.7	0	0	0	0	0	112.2	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.85Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.41Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.25Å; E253-A270 PolarHBondContact O-N 2.87Å; W268-A270 HydrophobicContact CE3-CB 4Å; W268-A270 HydrophobicContact CZ3-CB 3.71Å
271	V	97.6	Very high	95.4	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.4	174.5	-72.7	0	0	0	0	109.4	T224 L225 W241 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.4Å; L225-V271 HydrophobicContact CB-CG2 4.23Å; L225-V271 PolarHBondContact N-O 3.08Å; L225-V271 PolarHBondContact O-N 3.02Å; W241-V271 HydrophobicContact CB-CG1 3.71Å; W241-V271 HydrophobicContact CD2-CB 4.5Å; W241-V271 HydrophobicContact CD2-CG1 4.09Å; W241-V271 HydrophobicContact CD2-CG2 3.58Å; W241-V271 HydrophobicContact CE3-CG2 3.82Å; W241-V271 HydrophobicContact CG-CB 4.41Å; W241-V271 HydrophobicContact CG-CG1 3.53Å; W241-V271 HydrophobicContact CG-CG2 3.97Å; W241-V271 HydrophobicContact CH2-CG2 4.22Å; W241-V271 HydrophobicContact CZ2-CG2 4.02Å; W241-V271 HydrophobicContact CZ3-CG2 4.15Å; T252-V271 HydrophobicContact CG2-CG1 4.36Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.03Å; V271-V273 HydrophobicContact CB-CG1 4.45Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4.03Å; V271-Y281 HydrophobicContact CG2-CE1 4.48Å
272	V	97.3	Very high	95.6	Very high	75 Å²	75	38.9 Å²	38.9	46%	0.455	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.2	167.5	-179.3	0	0	0	0	107.9	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.02Å; I218-V272 HydrophobicContact CD1-CG2 4.1Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.35Å; A223-V272 WeakPolarHBondContact O-CA 3.35Å
273	V	96.4	Very high	95.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.2	-177.3	-53.3	0	0	0	0	110.1	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.38Å; A223-V273 PolarHBondContact N-O 3.48Å; A223-V273 PolarHBondContact O-N 3.2Å; L225-V273 HydrophobicContact CD1-CG1 3.96Å; L225-V273 HydrophobicContact CD1-CG2 3.99Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.82Å; V271-V273 HydrophobicContact CB-CG1 4.45Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.76Å; V273-Y281 HydrophobicContact CG1-CD1 3.68Å; V273-Y281 HydrophobicContact CG1-CD2 3.59Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.6Å; V273-Y281 HydrophobicContact CG1-CG 3.63Å
274	P	95.9	Very high	96.2	Very high	46 Å²	46	33.3 Å²	33.3	30%	0.299	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	142	170.2	-20.3	32.4	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.6Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; P274-G276 PolarHBondContact O-N 2.9Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.46Å; P274-E277 WeakPolarHBondContact O-CB 3.38Å; P274-E277 PolarHBondContact O-N 3.43Å
275	S	91.3	Very high	96.3	Very high	58 Å²	58	32.7 Å²	32.7	41%	0.406	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	126.5	175.2	-65.1	0	0	0	0	110.8	D220 H221 E222 E277	D220-S275 WeakPolarHBondContact O-CB 3.37Å; D220-S275 PolarHBondContact O-OG 3.41Å; H221-S275 PolarHBondContact O-N 2.91Å; H221-S275 PolarHBondContact O-OG 2.69Å; E222-S275 PolarHBondContact N-OG 2.97Å; S275-E277 VanDerWaalsContact C-N 3.34Å
276	G	90.3	Very high	96.2	Very high	66 Å²	66	34.6 Å²	34.6	68%	0.68	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-6.7	-178.9	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 2.9Å; G276-E278 WeakPolarHBondContact CA-OE2 3.44Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.03Å; G276-E278 PolarHBondContact N-OE2 2.83Å
277	E	94.6	Very high	96.1	Very high	60 Å²	60	33.2 Å²	33.2	28%	0.28	18%	0.184	S	C	.	.			trans	-98.3	2.9	175.3	-64.6	-161.8	-162.5	0	0	113.4	P274 S275 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.46Å; P274-E277 WeakPolarHBondContact O-CB 3.38Å; P274-E277 PolarHBondContact O-N 3.43Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.44Å; E277-R280 VanDerWaalsContact CD-NH1 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.49Å; E277-R280 PolarHBondContact O-N 2.9Å; E277-R280 IonicContact OE1-NH1 3.62Å; E277-R280 IonicContact OE2-CZ 3.59Å; E277-R280 IonicContact OE2-NE 3.97Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 2.7Å; E277-Y281 HydrophobicContact CB-CE2 4.33Å; E277-Y281 WeakPolarHBondContact O-CD2 3.47Å
278	E	94	Very high	95.8	Very high	21 Å²	21	36.7 Å²	36.7	10%	0.098	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.7	-172	-58	81	-178.5	0	0	112.6	L225 V273 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.04Å; L225-E278 HydrophobicContact CD1-CG 4.41Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; G276-E278 WeakPolarHBondContact CA-OE2 3.44Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.03Å; G276-E278 PolarHBondContact N-OE2 2.83Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.11Å; E278-Y281 PolarHBondContact O-N 3.23Å; E278-W298 HydrophobicContact CB-CD2 4.23Å; E278-W298 HydrophobicContact CB-CE3 3.48Å; E278-W298 VanDerWaalsContact CB-CE3 3.48Å; E278-W298 HydrophobicContact CB-CZ3 3.98Å; E278-W298 HydrophobicContact CG-CE3 3.9Å; E278-W298 HydrophobicContact CG-CZ3 4.04Å
279	Q	93.4	Very high	95.5	Very high	93 Å²	93	36.4 Å²	36.4	44%	0.435	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-70.5	-19	-179.8	-63.8	-57.5	-45	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.44Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 2.98Å
280	R	95.6	Very high	95.3	Very high	102 Å²	102	37.7 Å²	37.7	39%	0.385	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-77	-17.8	175.8	-62	174.3	67.6	-175.2	5.3	111.9	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.34Å; R243-R280 HydrophobicContact CG-CB 4.29Å; D244-R280 PolarHBondContact N-O 3.19Å; D244-R280 IonicContact OD1-NE 3.59Å; D244-R280 IonicContact OD2-CZ 3.12Å; D244-R280 IonicContact OD2-NE 2.79Å; D244-R280 PolarHBondContact OD2-NE 3.25Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 3.38Å; E277-R280 VanDerWaalsContact CD-NH1 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.49Å; E277-R280 PolarHBondContact O-N 2.9Å; E277-R280 IonicContact OE1-NH1 3.62Å; E277-R280 IonicContact OE2-CZ 3.59Å; E277-R280 IonicContact OE2-NE 3.97Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 2.7Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 3.11Å
281	Y	96.7	Very high	95.1	Very high	8 Å²	8	43.8 Å²	43.8	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.6	-177.5	-69.8	-101.3	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.52Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.37Å; R243-Y281 HydrophobicContact CB-CD1 4.13Å; R243-Y281 HydrophobicContact CB-CE1 3.98Å; R243-Y281 WeakPolarHBondContact CD-OH 3.34Å; R243-Y281 HydrophobicContact CG-CD2 4.44Å; R243-Y281 HydrophobicContact CG-CE1 4.24Å; R243-Y281 HydrophobicContact CG-CE2 4.1Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.03Å; V271-Y281 HydrophobicContact CG2-CE1 4.48Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.76Å; V273-Y281 HydrophobicContact CG1-CD1 3.68Å; V273-Y281 HydrophobicContact CG1-CD2 3.59Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.6Å; V273-Y281 HydrophobicContact CG1-CG 3.63Å; E277-Y281 HydrophobicContact CB-CE2 4.33Å; E277-Y281 WeakPolarHBondContact O-CD2 3.47Å; E278-Y281 PolarHBondContact O-N 3.23Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.5	Very high	94.8	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.4	176.5	55.4	0	0	0	0	110.9	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.37Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; Q242-T282 PolarHBondContact N-O 3.24Å; Q242-T282 PolarHBondContact O-N 3.07Å; T282-H284 PolarHBondContact OG1-NE2 3.45Å; T282-T295 HydrophobicContact CG2-CG2 4.16Å; T282-L296 WeakPolarHBondContact CA-O 3.15Å; T282-R297 HydrophobicContact CG2-CG 3.63Å; T282-R297 VanDerWaalsContact CG2-NE 3.33Å
283	C	97.8	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.5	170.5	174	0	0	0	0	109.6	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 3.4Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.44Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.04Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.16Å; W241-C283 HydrophobicContact CH2-CB 4.12Å; W241-C283 HydrophobicContact CZ2-CB 4.1Å; W241-C283 HydrophobicContact CZ3-CB 4.13Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.11Å; C283-L296 PolarHBondContact O-N 3.31Å
284	H	97.4	Very high	94.7	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.148	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.1	177.5	-62.8	-102.9	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.21Å; T240-H284 PolarHBondContact N-O 3.31Å; T240-H284 PolarHBondContact O-N 3.17Å; T240-H284 WeakPolarHBondContact OG1-CB 3.06Å; Q242-H284 PolarHBondContact OE1-NE2 2.84Å; T282-H284 PolarHBondContact OG1-NE2 3.45Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 PolarHBondContact ND1-OG1 3.43Å
285	V	97.8	Very high	94.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.8	-178.6	-174.5	0	0	0	0	109	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.5Å; T211-V285 HydrophobicContact CG2-CG1 4.26Å; T211-V285 HydrophobicContact CG2-CG2 4.1Å; I237-V285 HydrophobicContact CD1-CG1 3.87Å; I237-V285 HydrophobicContact CG1-CG1 4.22Å; T238-V285 WeakPolarHBondContact O-CA 3.35Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.49Å; L239-V285 HydrophobicContact CG-CG2 4.3Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.19Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.9Å; V285-L294 PolarHBondContact O-N 3.04Å; V285-L296 HydrophobicContact CG2-CD1 3.82Å
286	Q	97.1	Very high	95	Very high	64 Å²	64	54.8 Å²	54.8	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129	174.1	-51.6	-178.4	25.5	0	0	108.9	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.32Å; T238-Q286 PolarHBondContact N-O 2.9Å; T238-Q286 PolarHBondContact O-N 3.11Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
287	H	95.3	Very high	95.1	Very high	15 Å²	15	59 Å²	59	7%	0.069	30%	0.295	C	S	.	.			trans	-154.7	144.8	-179.4	-173.1	-96.4	0	0	0	108.1	N207 P209 F232 Y233 P234 E236 I237 G289 L290	N207-H287 PolarHBondContact O-CE1 2.95Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 2.97Å; Y233-H287 VanDerWaalsContact O-CE1 3.22Å; P234-H287 PolarHBondContact O-NE2 3.13Å; E236-H287 PolarHBondContact O-CD2 3.11Å; I237-H287 HydrophobicContact CD1-CB 4.31Å; I237-H287 HydrophobicContact CG1-CB 4.07Å; H287-G289 WeakPolarHBondContact ND1-CA 3.4Å; H287-G289 PolarHBondContact ND1-N 2.92Å; H287-G289 PolarHBondContact O-N 2.87Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.23Å; H287-L290 PolarHBondContact O-N 3.48Å
288	E	91.9	Very high	95	Very high	88 Å²	88	58.3 Å²	58.3	41%	0.411	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.9	-179.9	-175.3	178	156	0	0	112.8	T206 L290	T206-E288 HydrophobicContact CG2-CB 4.15Å; T206-E288 HydrophobicContact CG2-CG 4.27Å; E288-L290 PolarHBondContact O-N 2.95Å
289	G	92.2	Very high	94.6	Very high	19 Å²	19	65 Å²	65	20%	0.196	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.9	177.6	0	0	0	0	0	113.8	H287	H287-G289 WeakPolarHBondContact ND1-CA 3.4Å; H287-G289 PolarHBondContact ND1-N 2.92Å; H287-G289 PolarHBondContact O-N 2.87Å
290	L	94.4	Very high	93.8	Very high	26 Å²	26	64.3 Å²	64.3	14%	0.136	33%	0.325	C	S	.	.			trans	-98.4	124.3	177.5	-63.6	170.5	0	0	0	109.9	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.89Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.23Å; H287-L290 PolarHBondContact O-N 3.48Å; E288-L290 PolarHBondContact O-N 2.95Å; L290-K292 WeakPolarHBondContact CB-O 3.36Å; L290-K292 PolarHBondContact O-N 3.44Å; L290-K292 VanDerWaalsContact O-N 3.16Å; L290-L294 HydrophobicContact CD1-CB 4.45Å; L290-L294 HydrophobicContact CD1-CD1 3.88Å; L290-L294 HydrophobicContact CD1-CG 3.81Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CG 3.89Å; L290-L294 HydrophobicContact CG-CD1 4.41Å; L290-L294 HydrophobicContact CG-CG 4.43Å
291	P	92.1	Very high	92.2	Very high	132 Å²	132	64.1 Å²	64.1	86%	0.857	34%	0.339	S	S	*	.	S	Bend	trans	-64.8	-23.3	177.7	27	-34.8	0	0	0	112.5
292	K	92.9	Very high	89.8	Confident	161 Å²	161	69.2 Å²	69.2	70%	0.7	38%	0.375	S	S	*	.	S	Bend	trans	-146	149.3	173.1	-64.5	-176.5	-178.1	177.5	0	109	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.36Å; L290-K292 PolarHBondContact O-N 3.44Å; L290-K292 VanDerWaalsContact O-N 3.16Å; K292-L294 PolarHBondContact O-N 3.38Å
293	P	94.9	Very high	87.4	Confident	76 Å²	76	75.8 Å²	75.8	49%	0.494	41%	0.405	S	S	.	.			trans	-50.3	136.5	171.5	-29	36.8	0	0	0	112.3	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.19Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.1Å
294	L	96.1	Very high	84.9	Confident	61 Å²	61	78.8 Å²	78.8	32%	0.319	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	141.6	173.2	-66.2	177.1	0	0	0	109.7	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.36Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.9Å; V285-L294 PolarHBondContact O-N 3.04Å; L290-L294 HydrophobicContact CD1-CB 4.45Å; L290-L294 HydrophobicContact CD1-CD1 3.88Å; L290-L294 HydrophobicContact CD1-CG 3.81Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CG 3.89Å; L290-L294 HydrophobicContact CG-CD1 4.41Å; L290-L294 HydrophobicContact CG-CG 4.43Å; K292-L294 PolarHBondContact O-N 3.38Å
295	T	96.8	Very high	82.9	Confident	81 Å²	81	81.7 Å²	81.7	50%	0.497	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.3	170.3	-56.4	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.16Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; H284-T295 PolarHBondContact ND1-OG1 3.43Å
296	L	95.8	Very high	80.9	Confident	34 Å²	34	87.5 Å²	87.5	18%	0.178	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.8	-177.1	-65	148.4	0	0	0	108.9	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.04Å; M213-L296 HydrophobicContact CE-CB 3.7Å; M213-L296 VanDerWaalsContact CE-O 3.22Å; M213-L296 WeakPolarHBondContact CE-O 3.25Å; T282-L296 WeakPolarHBondContact CA-O 3.15Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.11Å; C283-L296 PolarHBondContact O-N 3.31Å; V285-L296 HydrophobicContact CG2-CD1 3.82Å
297	R	94.1	Very high	79	Confident	156 Å²	156	90.9 Å²	90.9	59%	0.589	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.1	168.6	-77.5	-177.8	-179.1	170.7	-0.3	108.8	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.63Å; T282-R297 VanDerWaalsContact CG2-NE 3.33Å; R297-E299 PolarHBondContact O-N 3.43Å
298	W	91.8	Very high	77.4	Confident	44 Å²	44	95.1 Å²	95.1	17%	0.167	52%	0.518	C	S	.	.			trans	-71.5	123.8	175	175	71.5	0	0	0	108.8	M213 H215 L225 E278 Q279 P300	M213-W298 WeakPolarHBondContact SD-CA 3.26Å; M213-W298 HydrophobicContact SD-CB 3.84Å; M213-W298 PolarHBondContact SD-N 3.48Å; H215-W298 HydrophobicContact CB-CZ2 4.18Å; H215-W298 AromaticContact CG-CE2 3.96Å; H215-W298 AromaticContact CG-CZ2 3.97Å; H215-W298 AromaticContact CG-NE1 3.94Å; L225-W298 HydrophobicContact CD1-CB 4.21Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.3Å; L225-W298 HydrophobicContact CD2-CG 3.71Å; E278-W298 HydrophobicContact CB-CD2 4.23Å; E278-W298 HydrophobicContact CB-CE3 3.48Å; E278-W298 VanDerWaalsContact CB-CE3 3.48Å; E278-W298 HydrophobicContact CB-CZ3 3.98Å; E278-W298 HydrophobicContact CG-CE3 3.9Å; E278-W298 HydrophobicContact CG-CZ3 4.04Å; Q279-W298 PolarHBondContact NE2-O 2.98Å; W298-P300 HydrophobicContact CE3-CG 4.23Å; W298-P300 HydrophobicContact CH2-CB 3.77Å; W298-P300 HydrophobicContact CH2-CG 3.65Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.23Å; W298-P300 HydrophobicContact CZ3-CB 4.28Å; W298-P300 HydrophobicContact CZ3-CG 3.64Å
299	E	84.6	Confident	76.2	Confident	161 Å²	161	95.2 Å²	95.2	75%	0.752	52%	0.524	S	S	*	.			trans	-106.1	123.8	169.6	-74.9	-179.4	178	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 3.43Å; E299-S301 PolarHBondContact O-N 3.44Å; E299-S301 VanDerWaalsContact O-N 3.14Å
300	P	77.9	Confident	75.1	Confident	80 Å²	80	96.4 Å²	96.4	52%	0.519	54%	0.536	S	S	.	.			trans	-55.9	123.3	171.2	-13.5	21.8	0	0	0	108	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.23Å; W298-P300 HydrophobicContact CH2-CB 3.77Å; W298-P300 HydrophobicContact CH2-CG 3.65Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.23Å; W298-P300 HydrophobicContact CZ3-CB 4.28Å; W298-P300 HydrophobicContact CZ3-CG 3.64Å; P300-S302 PolarHBondContact O-N 2.88Å
301	S	60.7	Low	74.3	Confident	98 Å²	98	100.3 Å²	100.3	69%	0.685	56%	0.556	S	S	*	*			trans	-55.5	115.7	178.5	74.8	0	0	0	0	108.3	E299 Q303	E299-S301 PolarHBondContact O-N 3.44Å; E299-S301 VanDerWaalsContact O-N 3.14Å; S301-Q303 PolarHBondContact O-N 3.23Å
302	S	46.3	Very low	73.6	Confident	114 Å²	114	98.7 Å²	98.7	80%	0.797	54%	0.54	S	S	*	.			trans	-74.9	62.7	169.6	62.1	0	0	0	0	108.4	P300 P304	P300-S302 PolarHBondContact O-N 2.88Å; S302-P304 VanDerWaalsContact O-CD 3.25Å; S302-P304 WeakPolarHBondContact O-CD 3.46Å
303	Q	47	Very low	73	Confident	149 Å²	149	93.4 Å²	93.4	70%	0.696	53%	0.526	S	S	*	.			trans	-64.8	118.8	157.6	-82.1	-166.1	-12.8	0	0	105.6	S301 T305	S301-Q303 PolarHBondContact O-N 3.23Å; Q303-T305 PolarHBondContact O-N 3.23Å; Q303-T305 PolarHBondContact O-OG1 2.92Å
304	P	46.2	Very low	72.4	Confident	64 Å²	64	91.2 Å²	91.2	42%	0.416	52%	0.517	S	S	.	.			trans	-77.7	80.1	179.5	31.9	-30.8	0	0	0	107.2	S302 V306 H307 I308	S302-P304 VanDerWaalsContact O-CD 3.25Å; S302-P304 WeakPolarHBondContact O-CD 3.46Å; P304-V306 PolarHBondContact O-N 3.49Å; P304-V306 VanDerWaalsContact O-N 3.08Å; P304-H307 HydrophobicContact CB-CB 3.9Å; P304-H307 WeakPolarHBondContact CB-CD2 3.49Å; P304-H307 HydrophobicContact CG-CB 4.01Å; P304-H307 PolarHBondContact O-N 3.32Å; P304-I308 PolarHBondContact O-N 3.08Å
305	T	54.9	Low	72	Confident	93 Å²	93	93.7 Å²	93.7	57%	0.571	53%	0.53	S	S	*	.	H	α-helix	trans	-50.5	-29.9	162.7	-32.7	0	0	0	0	109.3	Q303 I308 V309	Q303-T305 PolarHBondContact O-N 3.23Å; Q303-T305 PolarHBondContact O-OG1 2.92Å; T305-I308 PolarHBondContact O-N 3.47Å; T305-V309 WeakPolarHBondContact O-CB 3.41Å; T305-V309 VanDerWaalsContact O-CG2 3.22Å; T305-V309 WeakPolarHBondContact O-CG2 3.43Å; T305-V309 PolarHBondContact O-N 3.4Å
306	V	56.9	Low	71.5	Confident	122 Å²	122	94.5 Å²	94.5	74%	0.739	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-40.1	172.7	-173	0	0	0	0	113.4	P304 G310	P304-V306 PolarHBondContact O-N 3.49Å; P304-V306 VanDerWaalsContact O-N 3.08Å; V306-G310 PolarHBondContact O-N 3.42Å
307	H	55.7	Low	71	Confident	134 Å²	134	98.5 Å²	98.5	62%	0.62	56%	0.555	S	S	*	*	H	α-helix	trans	-72.2	-38.3	177	-78.6	-52.9	0	0	0	111.6	P304 G310 I311	P304-H307 HydrophobicContact CB-CB 3.9Å; P304-H307 WeakPolarHBondContact CB-CD2 3.49Å; P304-H307 HydrophobicContact CG-CB 4.01Å; P304-H307 PolarHBondContact O-N 3.32Å; H307-G310 PolarHBondContact O-N 2.94Å; H307-I311 WeakPolarHBondContact O-CB 3.43Å; H307-I311 WeakPolarHBondContact O-CD1 3.46Å; H307-I311 WeakPolarHBondContact O-CG1 3.48Å; H307-I311 PolarHBondContact O-N 2.92Å
308	I	61.7	Low	70.5	Confident	104 Å²	104	96.1 Å²	96.1	53%	0.533	55%	0.554	S	S	.	*	H	α-helix	trans	-67.6	-46.1	178.2	-60.5	176.5	0	0	0	110.5	P304 T305 G310 I311 I312	P304-I308 PolarHBondContact O-N 3.08Å; T305-I308 PolarHBondContact O-N 3.47Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 2.9Å; I308-I311 PolarHBondContact O-N 3.32Å; I308-I312 HydrophobicContact CG2-CD1 3.91Å; I308-I312 VanDerWaalsContact O-CG1 3.27Å; I308-I312 WeakPolarHBondContact O-CG1 3.38Å; I308-I312 PolarHBondContact O-N 2.8Å
309	V	66.8	Low	70.1	Confident	90 Å²	90	95.5 Å²	95.5	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-64.9	-39	176.5	174	0	0	0	0	111.2	T305 I312 A313	T305-V309 WeakPolarHBondContact O-CB 3.41Å; T305-V309 VanDerWaalsContact O-CG2 3.22Å; T305-V309 WeakPolarHBondContact O-CG2 3.43Å; T305-V309 PolarHBondContact O-N 3.4Å; V309-I312 PolarHBondContact O-N 3.33Å; V309-A313 WeakPolarHBondContact O-CB 3.33Å; V309-A313 PolarHBondContact O-N 3.12Å
310	G	70.4	Confident	70	Confident	44 Å²	44	90.8 Å²	90.8	45%	0.454	55%	0.55	S	S	.	*	H	α-helix	trans	-62.9	-41.7	175.5	0	0	0	0	0	113.3	V306 H307 I308 G314	V306-G310 PolarHBondContact O-N 3.42Å; H307-G310 PolarHBondContact O-N 2.94Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 2.9Å; G310-G314 PolarHBondContact O-N 3.34Å
311	I	76.4	Confident	70.3	Confident	108 Å²	108	91.9 Å²	91.9	55%	0.554	56%	0.555	S	S	*	*	H	α-helix	trans	-65.9	-44	175.8	-69.7	164.4	0	0	0	110.7	H307 I308 G314 L315	H307-I311 WeakPolarHBondContact O-CB 3.43Å; H307-I311 WeakPolarHBondContact O-CD1 3.46Å; H307-I311 WeakPolarHBondContact O-CG1 3.48Å; H307-I311 PolarHBondContact O-N 2.92Å; I308-I311 PolarHBondContact O-N 3.32Å; I311-G314 PolarHBondContact O-N 3.07Å; I311-L315 HydrophobicContact CG2-CD1 3.88Å; I311-L315 HydrophobicContact CG2-CG 4.41Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 VanDerWaalsContact O-CG 3.3Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.91Å
312	I	77.6	Confident	71.4	Confident	99 Å²	99	92.1 Å²	92.1	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-47.4	178.3	-67	167.5	0	0	0	110.6	I308 V309 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.91Å; I308-I312 VanDerWaalsContact O-CG1 3.27Å; I308-I312 WeakPolarHBondContact O-CG1 3.38Å; I308-I312 PolarHBondContact O-N 2.8Å; V309-I312 PolarHBondContact O-N 3.33Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 3.26Å; I312-L315 PolarHBondContact O-N 3.42Å; I312-V316 HydrophobicContact CG2-CG2 4.49Å; I312-V316 VanDerWaalsContact O-CG2 3.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.44Å; I312-V316 PolarHBondContact O-N 3.47Å
313	A	80.1	Confident	72.9	Confident	49 Å²	49	90.9 Å²	90.9	41%	0.405	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-41.5	177.5	0	0	0	0	0	112	V309 V316 L317	V309-A313 WeakPolarHBondContact O-CB 3.33Å; V309-A313 PolarHBondContact O-N 3.12Å; A313-V316 PolarHBondContact O-N 3.48Å; A313-L317 WeakPolarHBondContact O-CG 3.29Å; A313-L317 PolarHBondContact O-N 3.04Å
314	G	83.4	Confident	74.5	Confident	30 Å²	30	85.7 Å²	85.7	31%	0.309	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.9	0	0	0	0	0	113.1	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 3.34Å; I311-G314 PolarHBondContact O-N 3.07Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 3.26Å; G314-L317 PolarHBondContact O-N 2.92Å; G314-L318 WeakPolarHBondContact O-CB 3.09Å; G314-L318 PolarHBondContact O-N 2.99Å
315	L	86.8	Confident	76.2	Confident	113 Å²	113	85.5 Å²	85.5	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-65.6	-39.5	177.1	-73.4	171	0	0	0	112.3	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.88Å; I311-L315 HydrophobicContact CG2-CG 4.41Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 VanDerWaalsContact O-CG 3.3Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.91Å; I312-L315 PolarHBondContact O-N 3.42Å; L315-L318 PolarHBondContact O-N 3.24Å; L315-G319 PolarHBondContact O-N 3.38Å
316	V	86.5	Confident	77.5	Confident	99 Å²	99	85 Å²	85	60%	0.6	52%	0.523	S	S	*	.	H	α-helix	trans	-64	-43.9	175.8	171.2	0	0	0	0	111	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.49Å; I312-V316 VanDerWaalsContact O-CG2 3.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.44Å; I312-V316 PolarHBondContact O-N 3.47Å; A313-V316 PolarHBondContact O-N 3.48Å; V316-G319 PolarHBondContact O-N 3.1Å; V316-A320 WeakPolarHBondContact O-CB 3.45Å; V316-A320 PolarHBondContact O-N 2.78Å
317	L	84.4	Confident	78.6	Confident	117 Å²	117	82.9 Å²	82.9	61%	0.613	51%	0.51	S	S	*	.	H	α-helix	trans	-64.3	-44.7	177	-74.5	169.6	0	0	0	112.1	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CG 3.29Å; A313-L317 PolarHBondContact O-N 3.04Å; G314-L317 PolarHBondContact O-N 2.92Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 2.97Å; L317-A320 PolarHBondContact O-N 3.24Å; L317-V321 WeakPolarHBondContact O-CG2 3.05Å; L317-V321 PolarHBondContact O-N 3.12Å
318	L	83.8	Confident	79.5	Confident	106 Å²	106	79.2 Å²	79.2	56%	0.555	50%	0.503	S	S	*	.	H	α-helix	trans	-59.7	-44.8	174.7	-91.8	153.9	0	0	0	111.6	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 3.09Å; G314-L318 PolarHBondContact O-N 2.99Å; L315-L318 PolarHBondContact O-N 3.24Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.19Å; L318-V321 PolarHBondContact O-N 2.8Å; L318-I322 VanDerWaalsContact O-CG1 3.27Å; L318-I322 WeakPolarHBondContact O-CG1 3.35Å; L318-I322 PolarHBondContact O-N 3.42Å
319	G	83.6	Confident	80.2	Confident	32 Å²	32	77.1 Å²	77.1	33%	0.33	50%	0.5	S	S	.	.	H	α-helix	trans	-58.2	-46	175	0	0	0	0	0	112.1	L315 V316 L317 V321 I322 T323	L315-G319 PolarHBondContact O-N 3.38Å; V316-G319 PolarHBondContact O-N 3.1Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 2.97Å; G319-V321 PolarHBondContact O-N 3.3Å; G319-I322 PolarHBondContact O-N 3.03Å; G319-T323 WeakPolarHBondContact O-CB 3.46Å; G319-T323 PolarHBondContact O-N 3.48Å; G319-T323 PolarHBondContact O-OG1 3.26Å
320	A	82.9	Confident	80.7	Confident	62 Å²	62	77.1 Å²	77.1	51%	0.512	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-42.4	178.1	0	0	0	0	0	112.6	V316 L317 L318 T323 G324	V316-A320 WeakPolarHBondContact O-CB 3.45Å; V316-A320 PolarHBondContact O-N 2.78Å; L317-A320 PolarHBondContact O-N 3.24Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.19Å; A320-T323 PolarHBondContact O-N 2.86Å; A320-G324 PolarHBondContact O-N 3.23Å
321	V	85.1	Confident	80.8	Confident	102 Å²	102	81.3 Å²	81.3	62%	0.618	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-45.4	177.9	172.1	0	0	0	0	111.3	L317 L318 G319 T323 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.05Å; L317-V321 PolarHBondContact O-N 3.12Å; L318-V321 PolarHBondContact O-N 2.8Å; G319-V321 PolarHBondContact O-N 3.3Å; V321-T323 VanDerWaalsContact C-N 3.34Å; V321-T323 PolarHBondContact O-N 2.83Å; V321-G324 PolarHBondContact O-N 3.2Å; V321-A325 WeakPolarHBondContact O-CB 3.48Å; V321-A325 PolarHBondContact O-N 2.68Å
322	I	82.6	Confident	80.7	Confident	103 Å²	103	86 Å²	86	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-45.2	178.1	-67	167.7	0	0	0	109.9	L318 G319 G324 A325 V326	L318-I322 VanDerWaalsContact O-CG1 3.27Å; L318-I322 WeakPolarHBondContact O-CG1 3.35Å; L318-I322 PolarHBondContact O-N 3.42Å; G319-I322 PolarHBondContact O-N 3.03Å; I322-G324 PolarHBondContact O-N 2.95Å; I322-A325 PolarHBondContact O-N 2.86Å; I322-V326 HydrophobicContact CG2-CG2 4.34Å; I322-V326 VanDerWaalsContact O-CG2 3.24Å; I322-V326 WeakPolarHBondContact O-CG2 3.02Å; I322-V326 PolarHBondContact O-N 2.62Å
323	T	78.7	Confident	80.2	Confident	88 Å²	88	90.9 Å²	90.9	54%	0.54	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-43.7	179	-45.1	0	0	0	0	111	G319 A320 V321 V326 V327	G319-T323 WeakPolarHBondContact O-CB 3.46Å; G319-T323 PolarHBondContact O-N 3.48Å; G319-T323 PolarHBondContact O-OG1 3.26Å; A320-T323 PolarHBondContact O-N 2.86Å; V321-T323 VanDerWaalsContact C-N 3.34Å; V321-T323 PolarHBondContact O-N 2.83Å; T323-V326 PolarHBondContact O-N 2.82Å; T323-V327 VanDerWaalsContact O-CG2 3.28Å; T323-V327 WeakPolarHBondContact O-CG2 3.36Å; T323-V327 PolarHBondContact O-N 3.35Å
324	G	80.9	Confident	79.2	Confident	41 Å²	41	97.9 Å²	97.9	42%	0.423	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-43	174.5	0	0	0	0	0	113.2	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 3.23Å; V321-G324 PolarHBondContact O-N 3.2Å; I322-G324 PolarHBondContact O-N 2.95Å; G324-V327 PolarHBondContact O-N 3.12Å; G324-A328 WeakPolarHBondContact O-CB 3.42Å; G324-A328 PolarHBondContact O-N 2.79Å
325	A	80.8	Confident	77.9	Confident	59 Å²	59	102.8 Å²	102.8	49%	0.488	57%	0.568	S	S	.	*	H	α-helix	trans	-65.4	-40.5	177.3	0	0	0	0	0	112.3	V321 I322 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.48Å; V321-A325 PolarHBondContact O-N 2.68Å; I322-A325 PolarHBondContact O-N 2.86Å; A325-A328 PolarHBondContact O-N 3.47Å; A325-A329 VanDerWaalsContact O-CB 3.27Å; A325-A329 WeakPolarHBondContact O-CB 3.33Å; A325-A329 PolarHBondContact O-N 3.08Å
326	V	81.9	Confident	76.4	Confident	84 Å²	84	100.7 Å²	100.7	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-64.2	-45.7	175.6	172.3	0	0	0	0	110.5	I322 T323 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.34Å; I322-V326 VanDerWaalsContact O-CG2 3.24Å; I322-V326 WeakPolarHBondContact O-CG2 3.02Å; I322-V326 PolarHBondContact O-N 2.62Å; T323-V326 PolarHBondContact O-N 2.82Å; V326-A329 PolarHBondContact O-N 3.44Å; V326-V330 HydrophobicContact CG1-CG2 4.39Å; V326-V330 WeakPolarHBondContact O-CB 3.31Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.39Å; V326-V330 PolarHBondContact O-N 3.34Å
327	V	80.3	Confident	74.7	Confident	77 Å²	77	100.1 Å²	100.1	47%	0.467	56%	0.563	S	S	.	*	H	α-helix	trans	-61.6	-45.4	176.7	172.1	0	0	0	0	110.9	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.28Å; T323-V327 WeakPolarHBondContact O-CG2 3.36Å; T323-V327 PolarHBondContact O-N 3.35Å; G324-V327 PolarHBondContact O-N 3.12Å; V327-A329 PolarHBondContact O-N 3.41Å; V327-V330 PolarHBondContact O-N 2.88Å; V327-M331 HydrophobicContact CG1-CG 4.48Å; V327-M331 HydrophobicContact CG1-SD 4.14Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.15Å; V327-M331 PolarHBondContact O-N 2.87Å
328	A	75.2	Confident	73	Confident	57 Å²	57	101.7 Å²	101.7	47%	0.471	57%	0.572	S	S	.	*	H	α-helix	trans	-62	-42.9	176.8	0	0	0	0	0	112.2	G324 A325 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.42Å; G324-A328 PolarHBondContact O-N 2.79Å; A325-A328 PolarHBondContact O-N 3.47Å; A328-M331 PolarHBondContact O-N 2.9Å; A328-W332 WeakPolarHBondContact O-CB 3.34Å; A328-W332 PolarHBondContact O-N 2.89Å
329	A	76.4	Confident	71.3	Confident	59 Å²	59	107.2 Å²	107.2	49%	0.488	59%	0.586	S	S	.	*	H	α-helix	trans	-65.2	-41.2	176.7	0	0	0	0	0	112.1	A325 V326 V327 W332 R333	A325-A329 VanDerWaalsContact O-CB 3.27Å; A325-A329 WeakPolarHBondContact O-CB 3.33Å; A325-A329 PolarHBondContact O-N 3.08Å; V326-A329 PolarHBondContact O-N 3.44Å; V327-A329 PolarHBondContact O-N 3.41Å; A329-W332 PolarHBondContact O-N 3.42Å; A329-R333 WeakPolarHBondContact O-CB 3.4Å; A329-R333 PolarHBondContact O-N 2.96Å
330	V	76.1	Confident	69.2	Low	90 Å²	90	115.5 Å²	115.5	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-65.5	-42.7	175.8	170.2	0	0	0	0	111	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.39Å; V326-V330 WeakPolarHBondContact O-CB 3.31Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.39Å; V326-V330 PolarHBondContact O-N 3.34Å; V327-V330 PolarHBondContact O-N 2.88Å; V330-R333 PolarHBondContact O-N 2.7Å; V330-R334 WeakPolarHBondContact O-CB 3.28Å; V330-R334 PolarHBondContact O-N 3.34Å
331	M	74.4	Confident	67	Low	133 Å²	133	116.4 Å²	116.4	66%	0.655	63%	0.628	S	S	*	*	H	α-helix	trans	-63.3	-42.2	175	-74.1	-177.1	68.7	0	0	111.9	V327 A328 R334 N335	V327-M331 HydrophobicContact CG1-CG 4.48Å; V327-M331 HydrophobicContact CG1-SD 4.14Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.15Å; V327-M331 PolarHBondContact O-N 2.87Å; A328-M331 PolarHBondContact O-N 2.9Å; M331-R334 PolarHBondContact O-N 3.21Å; M331-N335 WeakPolarHBondContact O-CB 2.89Å; M331-N335 PolarHBondContact O-N 3.04Å
332	W	73.2	Confident	64.6	Low	206 Å²	206	115.3 Å²	115.3	78%	0.78	64%	0.638	S	S	*	*	H	α-helix	trans	-61.1	-47.2	174	-164.9	-36.7	0	0	0	110.6	A328 A329 R334 N335 S336	A328-W332 WeakPolarHBondContact O-CB 3.34Å; A328-W332 PolarHBondContact O-N 2.89Å; A329-W332 PolarHBondContact O-N 3.42Å; W332-R334 VanDerWaalsContact C-N 3.3Å; W332-R334 PolarHBondContact O-N 3.48Å; W332-N335 PolarHBondContact O-N 3.33Å; W332-N335 VanDerWaalsContact O-N 3.12Å; W332-S336 PolarHBondContact O-N 2.98Å; W332-S336 PolarHBondContact O-OG 2.92Å
333	R	66.3	Low	62.2	Low	201 Å²	201	116.3 Å²	116.3	76%	0.758	65%	0.654	S	S	*	*	H	α-helix	trans	-60.7	-41.5	-179.7	-146.1	175.3	-164.6	177.4	3.8	111.5	A329 V330 N335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.4Å; A329-R333 PolarHBondContact O-N 2.96Å; V330-R333 PolarHBondContact O-N 2.7Å; R333-N335 PolarHBondContact O-N 3.17Å; R333-S336 WeakPolarHBondContact CA-OG 3.27Å; R333-S336 PolarHBondContact O-N 2.92Å; R333-S336 PolarHBondContact O-OG 3.41Å; R333-S337 PolarHBondContact O-N 3.13Å; R333-S337 VanDerWaalsContact O-N 3.12Å; R333-S337 PolarHBondContact O-OG 3.21Å
334	R	60.7	Low	60.2	Low	196 Å²	196	122.7 Å²	122.7	74%	0.74	67%	0.669	S	S	*	*	H	α-helix	trans	-65.6	-34.6	176.5	-164.7	173.6	175.4	168.6	-1.3	112.8	V330 M331 W332 S337	V330-R334 WeakPolarHBondContact O-CB 3.28Å; V330-R334 PolarHBondContact O-N 3.34Å; M331-R334 PolarHBondContact O-N 3.21Å; W332-R334 VanDerWaalsContact C-N 3.3Å; W332-R334 PolarHBondContact O-N 3.48Å; R334-S337 PolarHBondContact O-OG 3.03Å
335	N	55.7	Low	58	Low	133 Å²	133	126.5 Å²	126.5	71%	0.711	69%	0.69	S	S	*	*	H	α-helix	trans	-78.5	-22.9	176.2	-146.8	20	0	0	0	112.9	M331 W332 R333	M331-N335 WeakPolarHBondContact O-CB 2.89Å; M331-N335 PolarHBondContact O-N 3.04Å; W332-N335 PolarHBondContact O-N 3.33Å; W332-N335 VanDerWaalsContact O-N 3.12Å; R333-N335 PolarHBondContact O-N 3.17Å
336	S	54.1	Low	55.8	Low	69 Å²	69	132.6 Å²	132.6	48%	0.483	71%	0.708	S	S	.	*	H	α-helix	trans	-85.2	-19.5	175.9	63.8	0	0	0	0	114.4	W332 R333	W332-S336 PolarHBondContact O-N 2.98Å; W332-S336 PolarHBondContact O-OG 2.92Å; R333-S336 WeakPolarHBondContact CA-OG 3.27Å; R333-S336 PolarHBondContact O-N 2.92Å; R333-S336 PolarHBondContact O-OG 3.41Å
337	S	52.5	Low	53.4	Low	87 Å²	87	133 Å²	133	61%	0.608	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-80.8	-14.1	176.9	47	0	0	0	0	114.5	R333 R334 R339	R333-S337 PolarHBondContact O-N 3.13Å; R333-S337 VanDerWaalsContact O-N 3.12Å; R333-S337 PolarHBondContact O-OG 3.21Å; R334-S337 PolarHBondContact O-OG 3.03Å; S337-R339 VanDerWaalsContact C-N 3.31Å; S337-R339 PolarHBondContact O-N 2.97Å
338	D	48.6	Very low	51.2	Low	151 Å²	151	133.9 Å²	133.9	81%	0.807	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-83.9	3.4	176.5	-94.7	-13.4	0	0	0	114.1
339	R	48.3	Very low	49.2	Very low	221 Å²	221	136.4 Å²	136.4	83%	0.834	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-130.6	33	-172.3	-151.5	-174.8	165.2	148.5	-2.7	116.5	S337	S337-R339 VanDerWaalsContact C-N 3.31Å; S337-R339 PolarHBondContact O-N 2.97Å
340	K	39.3	Very low	47.3	Very low	206 Å²	206	139.2 Å²	139.2	90%	0.896	77%	0.766	S	S	*	*			trans	-158	87.3	164.8	-113.9	164.8	-172.6	-175.2	0	112.9
341	G	36.7	Very low	45.4	Very low	81 Å²	81	142.4 Å²	142.4	84%	0.835	78%	0.78	S	S	*	*			trans	-88.7	132.2	157.7	0	0	0	0	0	110.9
342	G	34.1	Very low	43.9	Very low	80 Å²	80	141.9 Å²	141.9	83%	0.825	79%	0.789	S	S	*	*			trans	81.1	114.3	149.2	0	0	0	0	0	119.1
343	S	33.1	Very low	42.3	Very low	124 Å²	124	136.9 Å²	136.9	87%	0.867	79%	0.792	S	S	*	*				174.6	140.6	104	-169.7	0	0	0	0	111.8
344	Y	35.2	Very low	41.2	Very low	221 Å²	221	136.7 Å²	136.7	87%	0.867	80%	0.8	S	S	*	*			trans	-72.8	148	177.3	-93.4	-107.2	0	0	0	113.1
345	S	34.6	Very low	39.9	Very low	121 Å²	121	130.6 Å²	130.6	85%	0.846	80%	0.797	S	S	*	*				-178.7	110.2	125.6	22.5	0	0	0	0	113.8
346	Q	34.8	Very low	39.2	Very low	188 Å²	188	130.2 Å²	130.2	88%	0.879	81%	0.805	S	S	*	*				30.9	125.6	128.3	-150.3	162.5	6.2	0	0	124.3
347	A	32.8	Very low	38.5	Very low	92 Å²	92	134.3 Å²	134.3	76%	0.76	82%	0.822	S	S	*	*			trans	65.1	127.4	140.7	0	0	0	0	0	121.3
348	A	32.7	Very low	37.8	Very low	95 Å²	95	136.6 Å²	136.6	79%	0.785	83%	0.832	S	S	*	*				167	136.5	78.7	0	0	0	0	0	112.3
349	S	33.8	Very low	37.3	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	82%	0.823	S	S	*	*			trans	28.2	125.7	141.4	-172.3	0	0	0	0	121.7
350	S	36.4	Very low	36.9	Very low	119 Å²	119	130.8 Å²	130.8	83%	0.832	82%	0.824	S	S	*	*				-175.6	140.2	109.1	36.9	0	0	0	0	113.3
351	D	36.7	Very low	37.1	Very low	156 Å²	156	127.4 Å²	127.4	83%	0.834	82%	0.82	S	S	*	*			trans	-63.9	151.8	174.9	-74.3	-52.2	0	0	0	114
352	S	43.2	Very low	37.4	Very low	123 Å²	123	127.7 Å²	127.7	86%	0.86	82%	0.815	S	S	*	*				-165.4	117.1	129.6	14.2	0	0	0	0	110.4
353	A	39.9	Very low	37.5	Very low	100 Å²	100	129.8 Å²	129.8	83%	0.826	82%	0.815	S	S	*	*			trans	-84	141	169.6	0	0	0	0	0	110.4
354	Q	41.4	Very low	37.9	Very low	198 Å²	198	133 Å²	133	93%	0.925	81%	0.814	S	S	*	*			trans	-154.4	109.4	144	-132.2	171.6	1.4	0	0	108.9
355	G	34.2	Very low	38.4	Very low	67 Å²	67	132.3 Å²	132.3	69%	0.691	83%	0.832	S	S	*	*			trans	-89.2	171.9	174	0	0	0	0	0	112.2
356	S	40.6	Very low	38.6	Very low	126 Å²	126	132.9 Å²	132.9	88%	0.881	83%	0.831	S	S	*	*			trans	-160	119.7	142.5	-62.8	0	0	0	0	107.9
357	D	40.3	Very low	38.8	Very low	154 Å²	154	129.9 Å²	129.9	82%	0.824	83%	0.829	S	S	*	*			trans	-65.6	159.7	169.3	-75	-54.6	0	0	0	112.1
358	V	36.4	Very low	39.2	Very low	135 Å²	135	132.1 Å²	132.1	82%	0.818	83%	0.832	S	S	*	*				179.7	105.2	114.2	155.8	0	0	0	0	110.5
359	S	39.1	Very low	39.6	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	84%	0.835	S	S	*	*				45.5	123.5	126.8	-46.1	0	0	0	0	124.4
360	L	40.6	Very low	39.9	Very low	160 Å²	160	135.8 Å²	135.8	84%	0.838	84%	0.839	S	S	*	*				60.8	133.2	124.9	-59	167.5	0	0	0	118.4
361	T	42	Very low	40.1	Very low	134 Å²	134	136.9 Å²	136.9	82%	0.822	84%	0.84	S	S	*	*				-169.7	154.1	62	-46.1	0	0	0	0	111.2
362	A	43.4	Very low	40.4	Very low	87 Å²	87	135.5 Å²	135.5	72%	0.719	84%	0.84	S	S	*	*			trans	-79.4	165.4	179.8	0	0	0	0	0	115.5
363	C	36.8	Very low	40.2	Very low	125 Å²	125	136.5 Å²	136.5	85%	0.845	84%	0.839	S	S	*	*			trans	176.7	155	133.7	-100.9	0	0	0	0	108.7
364	K	41.7	Very low	40.2	Very low	191 Å²	191	139.5 Å²	139.5	83%	0.83	84%	0.84	S	S	*	*			cis	-173.7	149.5	-32.8	-164.9	175.7	179.2	178.2	0	103.3
365	V	45.8	Very low	40.1	Very low	206 Å²	206	134.2 Å²	134.2	100%	1.248	83%	0.832	S	S	*	*			trans	-61.4	0	164.5	175.5	0	0	0	0	110.7

Retrieved 365 of 365 residues in 66.3 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).