A0A060VCV0_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A060VCV0, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 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	34.5	Very low	43	Very low	241 Å²	241	143.9 Å²	143.9	100%	1.187	72%	0.72	S	S	*	*				0	105.3	0	-77	164.9	163.3	0	0	107.9	V3	M1-V3 PolarHBondContact O-N 3.4Å
2	R	35.3	Very low	43.1	Very low	254 Å²	254	142.8 Å²	142.8	96%	0.958	72%	0.717	S	S	*	*			trans	-77.5	109.4	170.8	-94.1	-179.7	172.5	163.3	-2.8	106.7	M4	R2-M4 PolarHBondContact O-N 3.44Å; R2-M4 VanDerWaalsContact O-N 3.09Å
3	V	38.7	Very low	42.8	Very low	139 Å²	139	139.5 Å²	139.5	84%	0.842	70%	0.702	S	S	*	*			trans	-68.2	105.9	171.4	178.5	0	0	0	0	106.5	M1 A5	M1-V3 PolarHBondContact O-N 3.4Å; V3-A5 PolarHBondContact O-N 2.89Å
4	M	41	Very low	42.8	Very low	178 Å²	178	134.1 Å²	134.1	88%	0.877	68%	0.684	S	S	*	*			trans	-79.9	97.9	175.8	-160.2	168.1	67.1	0	0	106.4	R2	R2-M4 PolarHBondContact O-N 3.44Å; R2-M4 VanDerWaalsContact O-N 3.09Å
5	A	44.4	Very low	42.7	Very low	56 Å²	56	127.3 Å²	127.3	46%	0.463	66%	0.661	S	S	.	*			trans	-58.2	138.2	173.1	0	0	0	0	0	109.1	V3 R7	V3-A5 PolarHBondContact O-N 2.89Å; A5-R7 PolarHBondContact O-N 3.32Å
6	P	43	Very low	42.6	Very low	74 Å²	74	122.6 Å²	122.6	48%	0.481	65%	0.646	S	S	.	*			trans	-62	124.3	-178.3	-14.6	27.3	0	0	0	109.2	T8 L9	P6-T8 PolarHBondContact O-N 2.88Å; P6-L9 WeakPolarHBondContact O-CB 3.28Å; P6-L9 PolarHBondContact O-N 2.86Å
7	R	48	Very low	42.1	Very low	218 Å²	218	122.1 Å²	122.1	82%	0.823	64%	0.643	S	S	*	*	H	α-helix	trans	-53.3	-24.2	176.2	-85.7	177.9	163.5	149.2	-6.1	113.1	A5 L11	A5-R7 PolarHBondContact O-N 3.32Å; R7-L11 PolarHBondContact O-N 3.38Å
8	T	48.5	Very low	41.8	Very low	98 Å²	98	118.5 Å²	118.5	60%	0.601	63%	0.634	S	S	*	*	H	α-helix	trans	-68.3	-33.9	173.6	34.5	0	0	0	0	113.7	P6 L12	P6-T8 PolarHBondContact O-N 2.88Å; T8-L12 PolarHBondContact O-N 3.32Å
9	L	42	Very low	41.7	Very low	103 Å²	103	117.3 Å²	117.3	54%	0.539	63%	0.627	S	S	.	*	H	α-helix	trans	-73.2	-34.8	178.8	-131.5	103	0	0	0	111.7	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.28Å; P6-L9 PolarHBondContact O-N 2.86Å; L9-L13 HydrophobicContact CD2-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 3.48Å; L9-L13 VanDerWaalsContact O-N 3.1Å
10	I	47.5	Very low	41.4	Very low	96 Å²	96	116.2 Å²	116.2	49%	0.492	63%	0.625	S	S	.	*	H	α-helix	trans	-69.6	-38.1	178.6	-62.9	172.7	0	0	0	110.6	L13 S14	I10-L13 PolarHBondContact O-N 2.85Å; I10-S14 WeakPolarHBondContact O-CB 3.34Å; I10-S14 PolarHBondContact O-N 3.46Å; I10-S14 PolarHBondContact O-OG 3.29Å
11	L	49.9	Very low	41.2	Very low	126 Å²	126	118.3 Å²	118.3	66%	0.66	63%	0.631	S	S	*	*	H	α-helix	trans	-68.3	-39.5	176	-76.4	164.5	0	0	0	112.8	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.38Å; L11-S14 PolarHBondContact O-N 2.7Å; L11-G15 PolarHBondContact O-N 3.1Å
12	L	45	Very low	41.6	Very low	131 Å²	131	112 Å²	112	69%	0.686	61%	0.606	S	S	*	*	H	α-helix	trans	-64.9	-40.1	174.7	-77.3	164.7	0	0	0	112.2	T8 S14 G15 A16	T8-L12 PolarHBondContact O-N 3.32Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-G15 PolarHBondContact O-N 3.42Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.36Å
13	L	38.4	Very low	42.3	Very low	99 Å²	99	104.4 Å²	104.4	52%	0.518	58%	0.577	S	S	.	*	H	α-helix	trans	-67.9	-32.6	173.8	-79.5	159.1	0	0	0	112.4	L9 I10 L17	L9-L13 HydrophobicContact CD2-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 3.48Å; L9-L13 VanDerWaalsContact O-N 3.1Å; I10-L13 PolarHBondContact O-N 2.85Å; L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 2.93Å
14	S	42.5	Very low	43	Very low	64 Å²	64	100.2 Å²	100.2	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-71	-40	176.3	-51.2	0	0	0	0	111.9	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.34Å; I10-S14 PolarHBondContact O-N 3.46Å; I10-S14 PolarHBondContact O-OG 3.29Å; L11-S14 PolarHBondContact O-N 2.7Å; L12-S14 VanDerWaalsContact C-N 3.33Å; S14-A18 WeakPolarHBondContact O-CB 3.39Å; S14-A18 PolarHBondContact O-N 3.28Å
15	G	42.4	Very low	44.6	Very low	33 Å²	33	94.4 Å²	94.4	34%	0.34	53%	0.534	S	S	.	.	H	α-helix	trans	-65.9	-43.9	173.5	0	0	0	0	0	112	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.1Å; L12-G15 PolarHBondContact O-N 3.42Å; G15-A18 PolarHBondContact O-N 3.47Å; G15-L19 VanDerWaalsContact O-CB 3.27Å; G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 VanDerWaalsContact O-CD1 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.47Å; G15-L19 WeakPolarHBondContact O-CG 3.29Å; G15-L19 PolarHBondContact O-N 2.91Å
16	A	40.1	Very low	46.8	Very low	51 Å²	51	95.1 Å²	95.1	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-66.4	-39.8	177.2	0	0	0	0	0	113	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.36Å; A16-L19 PolarHBondContact O-N 3.32Å; A16-T20 WeakPolarHBondContact O-CG2 3.42Å; A16-T20 PolarHBondContact O-N 2.87Å; A16-T20 PolarHBondContact O-OG1 2.92Å
17	L	34.4	Very low	49.4	Very low	114 Å²	114	92.9 Å²	92.9	60%	0.597	52%	0.518	S	S	*	.	H	α-helix	trans	-68.6	-38.8	176.7	-78.9	162.3	0	0	0	112.2	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 2.93Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-T20 WeakPolarHBondContact CA-OG1 3.42Å; L17-T20 PolarHBondContact O-N 3.4Å; L17-T20 PolarHBondContact O-OG1 3.35Å; L17-E21 PolarHBondContact O-N 2.92Å
18	A	37.4	Very low	51.7	Low	58 Å²	58	83.6 Å²	83.6	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-66.5	-33.3	172.2	0	0	0	0	0	112.4	S14 G15	S14-A18 WeakPolarHBondContact O-CB 3.39Å; S14-A18 PolarHBondContact O-N 3.28Å; G15-A18 PolarHBondContact O-N 3.47Å
19	L	39.1	Very low	54.1	Low	95 Å²	95	79 Å²	79	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-75	-25.2	176.9	-86.4	156.2	0	0	0	113.7	G15 A16 L17 T22	G15-L19 VanDerWaalsContact O-CB 3.27Å; G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 VanDerWaalsContact O-CD1 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.47Å; G15-L19 WeakPolarHBondContact O-CG 3.29Å; G15-L19 PolarHBondContact O-N 2.91Å; A16-L19 PolarHBondContact O-N 3.32Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L19-T22 PolarHBondContact O-OG1 3.02Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å
20	T	36.1	Very low	56.8	Low	95 Å²	95	76.3 Å²	76.3	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-84.1	-26.1	175.5	48.6	0	0	0	0	113.6	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.42Å; A16-T20 PolarHBondContact O-N 2.87Å; A16-T20 PolarHBondContact O-OG1 2.92Å; L17-T20 WeakPolarHBondContact CA-OG1 3.42Å; L17-T20 PolarHBondContact O-N 3.4Å; L17-T20 PolarHBondContact O-OG1 3.35Å; T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 3.45Å
21	E	36.8	Very low	59.2	Low	162 Å²	162	72.1 Å²	72.1	76%	0.757	42%	0.419	S	S	*	.	H	α-helix	trans	-70.3	-22.7	177.5	-94.2	-174.3	159.4	0	0	113	L17 W23	L17-E21 PolarHBondContact O-N 2.92Å; E21-W23 PolarHBondContact O-N 3.3Å
22	T	42.4	Very low	61.6	Low	107 Å²	107	70.1 Å²	70.1	66%	0.656	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	2	179.6	55.8	0	0	0	0	114.5	L19 T20	L19-T22 PolarHBondContact O-OG1 3.02Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å; T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 3.45Å
23	W	51	Low	64.1	Low	95 Å²	95	64.3 Å²	64.3	36%	0.36	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	13.2	-179.2	-66.1	72	0	0	0	113	E21 C25 H287 E288 L290	E21-W23 PolarHBondContact O-N 3.3Å; W23-C25 PolarHBondContact O-N 3.01Å; W23-C25 VanDerWaalsContact O-N 3.13Å; W23-H287 WeakPolarHBondContact CH2-O 3.18Å; W23-E288 WeakPolarHBondContact CZ3-O 3.38Å; W23-L290 WeakPolarHBondContact CH2-O 3.32Å; W23-L290 WeakPolarHBondContact CZ3-O 3.32Å
24	A	53.4	Low	67	Low	52 Å²	52	61.5 Å²	61.5	43%	0.43	36%	0.361	S	S	.	.	S	Bend	trans	-70.3	102.3	164.4	0	0	0	0	0	107.7	S26 P129	A24-S26 VanDerWaalsContact C-N 3.35Å; A24-S26 PolarHBondContact O-N 3.33Å; A24-P129 HydrophobicContact CB-CG 3.69Å
25	C	74.6	Confident	69.7	Low	56 Å²	56	58.5 Å²	58.5	38%	0.378	34%	0.341	S	S	.	.			trans	-49.7	96.3	176.7	-70.5	0	0	0	0	110.6	W23 P129	W23-C25 PolarHBondContact O-N 3.01Å; W23-C25 VanDerWaalsContact O-N 3.13Å; C25-P129 WeakPolarHBondContact O-CG 3.35Å
26	S	91.4	Very high	72.4	Confident	70 Å²	70	59.4 Å²	59.4	49%	0.49	34%	0.339	S	S	.	.			trans	-95.2	145.1	171.8	59.4	0	0	0	0	108.4	A24 V127	A24-S26 VanDerWaalsContact C-N 3.35Å; A24-S26 PolarHBondContact O-N 3.33Å; S26-V127 CarbonylContact C-O 3.58Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CB-O 3.45Å
27	H	95.6	Very high	75.1	Confident	27 Å²	27	57.8 Å²	57.8	13%	0.125	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	155	177.6	-66.1	-76.6	0	0	0	110.4	D53 D126 V127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.17Å; H27-D53 IonicContact CE1-OD2 3.01Å; H27-D53 IonicContact CG-OD2 2.78Å; H27-D53 IonicContact ND1-OD1 3.89Å; H27-D53 IonicContact ND1-OD2 3.55Å; H27-D53 PolarHBondContact ND1-OD2 3.17Å; H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 3.24Å; H27-V127 PolarHBondContact O-N 3.49Å; H27-L192 HydrophobicContact CB-CD1 4.39Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.32Å
28	S	97.7	Very high	78	Confident	23 Å²	23	55.9 Å²	55.9	16%	0.161	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.1	178.5	67.3	0	0	0	0	111.6	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.41Å; S28-D53 PolarHBondContact N-OD1 2.92Å; S28-D53 PolarHBondContact O-N 3.2Å; S28-C125 CarbonylContact C-O 3.55Å; S28-C125 WeakPolarHBondContact CA-O 3.42Å; S28-D126 WeakPolarHBondContact CB-OD1 3.18Å
29	M	98.6	Very high	80.6	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.2	165.1	-175.1	172.3	58.1	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 3.98Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; M29-Y51 WeakPolarHBondContact CA-O 3.4Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.41Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.4Å; M29-C125 PolarHBondContact N-O 3.06Å; M29-C125 PolarHBondContact O-N 3.48Å; M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.45Å; M29-W191 HydrophobicContact CE-CB 4.03Å; M29-W191 HydrophobicContact SD-CB 4.39Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.14Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.37Å; M29-Y195 HydrophobicContact SD-CD2 3.8Å; M29-Y195 HydrophobicContact SD-CE2 3.62Å
30	R	98.7	Very high	83.1	Confident	48 Å²	48	55.7 Å²	55.7	18%	0.181	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.5	-176.9	-56.1	-62.6	-178.6	77.1	3.8	110.8	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.4Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; R30-G50 CarbonylContact O-C 3.59Å; R30-G50 WeakPolarHBondContact O-CA 3.34Å; R30-Y51 PolarHBondContact N-O 2.86Å; R30-Y51 PolarHBondContact O-N 2.69Å; R30-D126 IonicContact CZ-OD1 3.65Å; R30-D126 IonicContact NE-OD1 3.7Å; R30-D126 PolarHBondContact NE-OD1 3.42Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 2.68Å; R30-D126 PolarHBondContact NH2-OD1 2.95Å; R30-D126 IonicContact NH2-OD2 3.32Å; R30-D126 PolarHBondContact NH2-OD2 3.31Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.3Å; R30-Y137 PolarHBondContact NH2-OH 2.85Å
31	Y	98.8	Very high	85.8	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.027	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.9	169.3	-69.1	-94.5	0	0	0	109.3	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 3.98Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; Y31-Y33 HydrophobicContact CD1-CE1 4.22Å; Y31-V49 CarbonylContact C-O 3.49Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.33Å; Y31-V58 HydrophobicContact CE1-CG1 4.01Å; Y31-M122 VanDerWaalsContact O-CA 3.32Å; Y31-M122 WeakPolarHBondContact O-CA 3.33Å; Y31-Y123 HydrophobicContact CD2-CD2 4.27Å; Y31-Y123 AromaticContact CD2-CE2 3.49Å; Y31-Y123 HydrophobicContact CD2-CE2 3.49Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.49Å; Y31-Y123 AromaticContact CD2-CZ 3.8Å; Y31-Y123 HydrophobicContact CE2-CE2 4.26Å; Y31-Y123 HydrophobicContact CG-CE1 4.39Å; Y31-Y123 AromaticContact CG-CE2 3.91Å; Y31-Y123 HydrophobicContact CG-CE2 3.91Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 2.68Å; Y31-Y123 PolarHBondContact O-N 3.41Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å
32	F	98.9	Very high	88.4	Confident	85 Å²	85	56.2 Å²	56.2	37%	0.373	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116	178.2	-57.1	-96.1	0	0	0	109.1	R30 A48 V49 Y51 M122	R30-F32 HydrophobicContact CB-CD2 4.4Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; F32-A48 WeakPolarHBondContact O-CA 3.29Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.39Å; F32-V49 PolarHBondContact O-N 2.94Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-M122 HydrophobicContact CD1-CB 3.95Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.17Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.36Å; F32-M122 HydrophobicContact CZ-CG 4.02Å
33	Y	98.8	Very high	90.9	Very high	8 Å²	8	55.4 Å²	55.4	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.8	177.5	-61	-9.6	0	0	0	109.8	Y31 F46 I47 A48 Y91 Q94 Q120 W121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.22Å; Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 HydrophobicContact CD2-CE2 4.18Å; Y33-F46 AromaticContact CD2-CZ 3.9Å; Y33-F46 HydrophobicContact CD2-CZ 3.9Å; Y33-F46 HydrophobicContact CE2-CZ 4.42Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.83Å; Y33-F46 HydrophobicContact CG-CZ 3.83Å; Y33-I47 CarbonylContact C-O 3.55Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; Y33-A48 HydrophobicContact CD1-CB 3.22Å; Y33-A48 HydrophobicContact CE1-CB 3.35Å; Y33-A48 HydrophobicContact CG-CB 4.14Å; Y33-Y91 HydrophobicContact CE1-CD1 4.2Å; Y33-Y91 AromaticContact CE1-CE1 3.82Å; Y33-Y91 HydrophobicContact CE1-CE1 3.82Å; Y33-Y91 AromaticContact CZ-CE1 3.86Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.16Å; Y33-Q94 HydrophobicContact CD2-CG 3.67Å; Y33-Q94 HydrophobicContact CE2-CB 4.42Å; Y33-Q94 HydrophobicContact CE2-CG 3.86Å; Y33-Q120 WeakPolarHBondContact O-CA 3.49Å; Y33-W121 HydrophobicContact CD2-CD2 4.43Å; Y33-W121 AromaticContact CD2-CE3 3.48Å; Y33-W121 HydrophobicContact CD2-CE3 3.48Å; Y33-W121 VanDerWaalsContact CD2-CE3 3.48Å; Y33-W121 AromaticContact CD2-CZ3 3.8Å; Y33-W121 HydrophobicContact CD2-CZ3 3.8Å; Y33-W121 AromaticContact CE2-CE3 3.95Å; Y33-W121 HydrophobicContact CE2-CE3 3.95Å; Y33-W121 AromaticContact CE2-CZ3 3.78Å; Y33-W121 HydrophobicContact CE2-CZ3 3.78Å; Y33-W121 HydrophobicContact CG-CE3 4.46Å; Y33-W121 PolarHBondContact N-O 2.92Å; Y33-W121 PolarHBondContact O-N 3.44Å; Y33-Y123 HydrophobicContact CD2-CE1 4.25Å; Y33-Y123 HydrophobicContact CE1-CE1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.62Å; Y33-Y123 HydrophobicContact CE2-CE1 3.62Å; Y33-Y123 AromaticContact CZ-CE1 3.71Å; Y33-Y123 PolarHBondContact OH-OH 3.33Å
34	T	98.9	Very high	93.1	Very high	40 Å²	40	52 Å²	52	25%	0.245	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	120.8	177.8	-58	0	0	0	0	109.4	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4Å; T34-F46 WeakPolarHBondContact O-CA 3.4Å; T34-I47 PolarHBondContact N-O 3.12Å; T34-I47 PolarHBondContact O-N 3.46Å; T34-T118 HydrophobicContact CG2-CG2 4.01Å; T34-L119 CarbonylContact C-O 3.55Å; T34-L119 WeakPolarHBondContact CA-O 3.25Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å
35	A	98.7	Very high	95.2	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.1	174.3	0	0	0	0	0	110	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.59Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.45Å; A35-F46 HydrophobicContact CB-CD2 4.3Å; A35-D98 HydrophobicContact CB-CB 3.65Å; A35-L102 HydrophobicContact CB-CD1 3.87Å; A35-T118 WeakPolarHBondContact O-CA 3.44Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.18Å; A35-L119 PolarHBondContact O-N 3.28Å
36	V	98.6	Very high	96.4	Very high	51 Å²	51	51.3 Å²	51.3	31%	0.309	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	113.6	-179	-173.9	0	0	0	0	109.3	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 4Å; V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.37Å; V36-R45 PolarHBondContact N-O 3.16Å; V36-R45 PolarHBondContact O-N 2.93Å; V36-T118 HydrophobicContact CG2-CG2 4.23Å
37	S	97.8	Very high	96.7	Very high	17 Å²	17	50.2 Å²	50.2	12%	0.119	27%	0.273	C	S	.	.			trans	-70.7	141.2	173.8	56.6	0	0	0	0	111.3	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.33Å; S37-S116 PolarHBondContact O-OG 3.1Å; S37-H117 PolarHBondContact N-O 3.15Å; S37-H117 WeakPolarHBondContact OG-CA 3.39Å; S37-H117 PolarHBondContact OG-N 3.25Å; S37-H117 PolarHBondContact OG-O 3.14Å
38	R	95.8	Very high	96.9	Very high	75 Å²	75	48.9 Å²	48.9	28%	0.283	27%	0.267	S	S	.	.			trans	-134.4	75.6	-177.1	54	174.4	176.6	-159.5	-11.3	111.1	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.04Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.42Å; R38-R41 HydrophobicContact CG-CB 4.11Å; R38-R41 PolarHBondContact NE-O 3.38Å; R38-R41 VanDerWaalsContact NE-O 3.13Å; R38-R41 PolarHBondContact O-N 3.42Å; R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.96Å; R38-E43 PolarHBondContact NH2-O 3.34Å; R38-D63 IonicContact CZ-OD1 3.1Å; R38-D63 IonicContact CZ-OD2 3.02Å; R38-D63 IonicContact NH1-OD1 3.37Å; R38-D63 PolarHBondContact NH1-OD1 2.91Å; R38-D63 IonicContact NH1-OD2 3.36Å; R38-D63 PolarHBondContact NH1-OD2 3.46Å; R38-D63 IonicContact NH2-OD1 3.25Å; R38-D63 PolarHBondContact NH2-OD1 3.39Å; R38-D63 IonicContact NH2-OD2 3.94Å
39	P	92.1	Very high	97	Very high	58 Å²	58	49.1 Å²	49.1	38%	0.377	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	130.6	-177.5	-26.8	34.4	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.91Å; P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 VanDerWaalsContact CG-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.41Å; P39-G115 WeakPolarHBondContact CG-O 3.3Å
40	G	91.1	Very high	97	Very high	90 Å²	90	49 Å²	49	93%	0.928	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	1.6	-178.2	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.04Å
41	R	92.9	Very high	97	Very high	211 Å²	211	50.1 Å²	50.1	80%	0.796	27%	0.272	S	S	*	.	S	Bend	trans	-122.6	23.5	-179.9	-59.2	-174.6	179.2	-172.6	0.1	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.42Å; R38-R41 HydrophobicContact CG-CB 4.11Å; R38-R41 PolarHBondContact NE-O 3.38Å; R38-R41 VanDerWaalsContact NE-O 3.13Å; R38-R41 PolarHBondContact O-N 3.42Å; P39-R41 PolarHBondContact O-N 2.91Å
42	G	91.5	Very high	96.9	Very high	57 Å²	57	49.8 Å²	49.8	59%	0.588	27%	0.27	S	S	*	.	S	Bend	trans	94.6	-159.1	179.3	0	0	0	0	0	113.6
43	E	94.3	Very high	96.8	Very high	90 Å²	90	47 Å²	47	42%	0.421	26%	0.259	S	S	.	.	S	Bend	trans	-71.4	154.5	-177.1	-64.7	-54.7	156.6	0	0	112.8	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.96Å; R38-E43 PolarHBondContact NH2-O 3.34Å; E43-R45 PolarHBondContact O-N 3.04Å; E43-R99 IonicContact OE1-CZ 3.19Å; E43-R99 IonicContact OE1-NE 3.45Å; E43-R99 IonicContact OE1-NH1 3.92Å; E43-R99 IonicContact OE1-NH2 2.72Å; E43-R99 PolarHBondContact OE1-NH2 3.38Å; E43-R99 VanDerWaalsContact OE2-CD 3.3Å; E43-R99 WeakPolarHBondContact OE2-CD 3.22Å; E43-R99 IonicContact OE2-CZ 2.75Å; E43-R99 IonicContact OE2-NE 3.3Å; E43-R99 PolarHBondContact OE2-NE 3.37Å; E43-R99 IonicContact OE2-NH1 3.38Å; E43-R99 IonicContact OE2-NH2 2.72Å; E43-R99 PolarHBondContact OE2-NH2 2.95Å; E43-R99 VanDerWaalsContact OE2-NH2 3.15Å
44	P	97.2	Very high	96.6	Very high	25 Å²	25	49.7 Å²	49.7	16%	0.162	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-51	135	173.2	-25.8	34.8	0	0	0	111.7	V36 R99 L102	V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.37Å; P44-R99 HydrophobicContact CG-CB 4.36Å; P44-R99 HydrophobicContact CG-CG 4.18Å; P44-L102 HydrophobicContact CB-CD1 3.74Å; P44-L102 HydrophobicContact CG-CD1 3.89Å
45	R	98.3	Very high	96.5	Very high	90 Å²	90	49.2 Å²	49.2	34%	0.34	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129	172.7	-177.1	-179.4	-177.8	-176.7	-1	108.4	A35 V36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.59Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.45Å; V36-R45 PolarHBondContact N-O 3.16Å; V36-R45 PolarHBondContact O-N 2.93Å; E43-R45 PolarHBondContact O-N 3.04Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; R45-D61 IonicContact CZ-OD1 3.64Å; R45-D61 IonicContact CZ-OD2 2.77Å; R45-D61 IonicContact NE-OD1 3.73Å; R45-D61 PolarHBondContact NE-OD1 2.96Å; R45-D61 VanDerWaalsContact NE-OD1 3.1Å; R45-D61 IonicContact NE-OD2 3.65Å; R45-D61 IonicContact NH2-OD1 3.71Å; R45-D61 PolarHBondContact NH2-OD1 3.41Å; R45-D61 IonicContact NH2-OD2 3.7Å; R45-D61 PolarHBondContact NH2-OD2 3.47Å; R45-D63 VanDerWaalsContact CD-OD2 3.31Å; R45-D63 WeakPolarHBondContact CD-OD2 3.4Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 2.62Å
46	F	98.8	Very high	96.5	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.9	177	175.3	-92.9	0	0	0	110	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 HydrophobicContact CD2-CE2 4.18Å; Y33-F46 AromaticContact CD2-CZ 3.9Å; Y33-F46 HydrophobicContact CD2-CZ 3.9Å; Y33-F46 HydrophobicContact CE2-CZ 4.42Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.83Å; Y33-F46 HydrophobicContact CG-CZ 3.83Å; T34-F46 WeakPolarHBondContact O-CA 3.4Å; A35-F46 HydrophobicContact CB-CD2 4.3Å; F46-A48 HydrophobicContact CE1-CB 3.73Å; F46-A48 HydrophobicContact CZ-CB 3.91Å; F46-F60 AromaticContact CD1-CD1 3.7Å; F46-F60 HydrophobicContact CD1-CD1 3.7Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; F46-S62 PolarHBondContact N-OG 3.31Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 2.98Å; F46-Y91 HydrophobicContact CE1-CD1 4.48Å; F46-Q94 HydrophobicContact CE2-CB 4.28Å; F46-Q94 HydrophobicContact CE2-CG 3.82Å; F46-Q94 HydrophobicContact CZ-CB 3.98Å; F46-Q94 HydrophobicContact CZ-CG 3.88Å; F46-A95 HydrophobicContact CB-CB 3.7Å; F46-A95 HydrophobicContact CD1-CB 3.78Å; F46-A95 HydrophobicContact CD2-CB 4.18Å; F46-A95 HydrophobicContact CE1-CB 4.45Å; F46-A95 HydrophobicContact CG-CB 3.62Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.21Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.41Å
47	I	98.8	Very high	96.5	Very high	46 Å²	46	49.1 Å²	49.1	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.7	175.6	-57.3	174	0	0	0	107.6	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.55Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; T34-I47 PolarHBondContact N-O 3.12Å; T34-I47 PolarHBondContact O-N 3.46Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; I47-V49 HydrophobicContact CG2-CG1 4.47Å; I47-F60 WeakPolarHBondContact CA-O 3.43Å
48	A	98.8	Very high	96.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.1	172.8	0	0	0	0	0	110.1	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.29Å; Y33-A48 HydrophobicContact CD1-CB 3.22Å; Y33-A48 HydrophobicContact CE1-CB 3.35Å; Y33-A48 HydrophobicContact CG-CB 4.14Å; F46-A48 HydrophobicContact CE1-CB 3.73Å; F46-A48 HydrophobicContact CZ-CB 3.91Å; A48-R59 CarbonylContact O-C 3.52Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.37Å; A48-F60 PolarHBondContact O-N 2.96Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.72Å; A48-Y91 HydrophobicContact CB-CG 4.49Å
49	V	98.9	Very high	96.6	Very high	27 Å²	27	48.5 Å²	48.5	16%	0.164	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.9	173.1	-62.3	0	0	0	0	109.8	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.49Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.39Å; F32-V49 PolarHBondContact O-N 2.94Å; I47-V49 HydrophobicContact CG2-CG1 4.47Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; V49-V58 WeakPolarHBondContact CA-O 3.25Å; V49-R59 HydrophobicContact CG1-CG 4.3Å
50	G	98.7	Very high	96.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.5	175.6	0	0	0	0	0	111	R30 F57 V58	R30-G50 CarbonylContact O-C 3.59Å; R30-G50 WeakPolarHBondContact O-CA 3.34Å; G50-F57 WeakPolarHBondContact O-CD1 3.37Å; G50-F57 PolarHBondContact O-N 3.46Å; G50-V58 PolarHBondContact N-O 2.84Å; G50-V58 PolarHBondContact O-N 2.92Å
51	Y	98.6	Very high	97.3	Very high	70 Å²	70	42.6 Å²	42.6	28%	0.275	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.7	-179.6	-75.2	-102.3	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.4Å; R30-Y51 PolarHBondContact N-O 2.86Å; R30-Y51 PolarHBondContact O-N 2.69Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; Y51-T55 WeakPolarHBondContact CA-O 2.95Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.2Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.3	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.7	156.3	176.5	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.41Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 3.17Å; V52-T55 PolarHBondContact N-O 2.97Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 3.04Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.05Å; V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å
53	D	95.9	Very high	97.8	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.144	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	-124.2	-166.8	-52.3	-38.2	0	0	0	110.4	H27 S28	H27-D53 WeakPolarHBondContact CA-OD1 3.17Å; H27-D53 IonicContact CE1-OD2 3.01Å; H27-D53 IonicContact CG-OD2 2.78Å; H27-D53 IonicContact ND1-OD1 3.89Å; H27-D53 IonicContact ND1-OD2 3.55Å; H27-D53 PolarHBondContact ND1-OD2 3.17Å; S28-D53 PolarHBondContact N-OD1 2.92Å; S28-D53 PolarHBondContact O-N 3.2Å
54	D	95.9	Very high	98	Very high	64 Å²	64	32.1 Å²	32.1	34%	0.342	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9.4	179.1	-60	-58.2	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.17Å; D54-Y233 HydrophobicContact CB-CE2 4.05Å; D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.1Å; D54-A235 HydrophobicContact CB-CB 4.27Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 3.44Å; D54-F265 HydrophobicContact CB-CE2 3.75Å; D54-F265 HydrophobicContact CB-CZ 3.68Å
55	T	96.6	Very high	97.9	Very high	30 Å²	30	36.4 Å²	36.4	18%	0.184	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.9	-177.2	-61.3	0	0	0	0	111.8	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 2.95Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 2.97Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 3.04Å; T55-F57 PolarHBondContact O-N 2.7Å; T55-A73 HydrophobicContact CG2-CB 4.41Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 PolarHBondContact OG1-OH 3Å
56	Q	97.6	Very high	97.8	Very high	52 Å²	52	35.9 Å²	35.9	24%	0.243	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128.3	173.3	-166.3	-179.6	1.2	0	0	110.5	Y51 V58 R72	Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.2Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 CarbonylContact O-C 3.53Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-20.7	179.5	75.7	-88	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.41Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.33Å; G50-F57 WeakPolarHBondContact O-CD1 3.37Å; G50-F57 PolarHBondContact O-N 3.46Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.05Å; T55-F57 PolarHBondContact O-N 2.7Å; F57-R72 PolarHBondContact O-N 3.25Å; F57-A73 HydrophobicContact CB-CB 4.06Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.92Å; F57-W75 HydrophobicContact CD1-CH2 3.92Å; F57-W75 AromaticContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 4.18Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.1Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.4Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.1Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.49Å; F57-Y195 AromaticContact CE2-CE2 3.81Å; F57-Y195 HydrophobicContact CE2-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.42Å; F57-Y195 AromaticContact CZ-CE2 3.85Å; F57-Y195 HydrophobicContact CZ-CE2 3.85Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.4	179.3	66.4	0	0	0	0	112	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.01Å; V49-V58 WeakPolarHBondContact CA-O 3.25Å; G50-V58 PolarHBondContact N-O 2.84Å; G50-V58 PolarHBondContact O-N 2.92Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; V58-E70 WeakPolarHBondContact CA-O 3.18Å; V58-W84 HydrophobicContact CG2-CZ3 4.07Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.4Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.48Å
59	R	98.4	Very high	97.6	Very high	79 Å²	79	42.9 Å²	42.9	30%	0.298	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.4	171.6	-179.7	173.7	170.8	138.7	2	111.2	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.52Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; V49-R59 HydrophobicContact CG1-CG 4.3Å; R59-D61 IonicContact NH2-OD2 2.71Å; R59-D61 PolarHBondContact NH2-OD2 2.94Å; R59-E70 PolarHBondContact N-O 2.8Å; R59-E70 PolarHBondContact O-N 3.47Å; R59-R72 HydrophobicContact CB-CG 3.89Å
60	F	98.8	Very high	97.5	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.1	165.1	176.3	-82.4	0	0	0	109.4	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.7Å; F46-F60 HydrophobicContact CD1-CD1 3.7Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; I47-F60 WeakPolarHBondContact CA-O 3.43Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.37Å; A48-F60 PolarHBondContact O-N 2.96Å; F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-R68 WeakPolarHBondContact CD2-O 3.26Å; F60-Y91 HydrophobicContact CB-CD1 4.39Å; F60-Y91 HydrophobicContact CB-CD2 3.62Å; F60-Y91 HydrophobicContact CB-CE2 4.09Å; F60-Y91 HydrophobicContact CB-CG 3.81Å; F60-Y91 HydrophobicContact CD1-CG 4.42Å; F60-Y91 AromaticContact CD2-CD2 3.74Å; F60-Y91 HydrophobicContact CD2-CD2 3.74Å; F60-Y91 AromaticContact CD2-CG 4Å; F60-Y91 HydrophobicContact CD2-CG 4Å; F60-Y91 AromaticContact CG-CD2 3.85Å; F60-Y91 HydrophobicContact CG-CD2 3.85Å; F60-Y91 AromaticContact CG-CG 3.83Å; F60-Y91 HydrophobicContact CG-CG 3.83Å; F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.06Å
61	D	98.6	Very high	97.5	Very high	20 Å²	20	46.6 Å²	46.6	11%	0.107	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.7	176	-163.7	-28.2	0	0	0	109.3	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.64Å; R45-D61 IonicContact CZ-OD2 2.77Å; R45-D61 IonicContact NE-OD1 3.73Å; R45-D61 PolarHBondContact NE-OD1 2.96Å; R45-D61 VanDerWaalsContact NE-OD1 3.1Å; R45-D61 IonicContact NE-OD2 3.65Å; R45-D61 IonicContact NH2-OD1 3.71Å; R45-D61 PolarHBondContact NH2-OD1 3.41Å; R45-D61 IonicContact NH2-OD2 3.7Å; R45-D61 PolarHBondContact NH2-OD2 3.47Å; R59-D61 IonicContact NH2-OD2 2.71Å; R59-D61 PolarHBondContact NH2-OD2 2.94Å; D61-D63 PolarHBondContact O-N 3.06Å; D61-D63 PolarHBondContact OD1-N 2.97Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å; D61-A64 HydrophobicContact CB-CB 4.42Å; D61-A64 WeakPolarHBondContact O-CB 3.29Å; D61-A64 PolarHBondContact O-N 3.35Å
62	S	98.2	Very high	97.4	Very high	35 Å²	35	49 Å²	49	25%	0.245	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.8	-179.1	68.2	0	0	0	0	113.2	F46 A64 P67	F46-S62 PolarHBondContact N-OG 3.31Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 2.98Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.32Å
63	D	97.4	Very high	97.3	Very high	70 Å²	70	49.2 Å²	49.2	37%	0.374	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2	179.9	-78.9	3	0	0	0	112.6	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.1Å; R38-D63 IonicContact CZ-OD2 3.02Å; R38-D63 IonicContact NH1-OD1 3.37Å; R38-D63 PolarHBondContact NH1-OD1 2.91Å; R38-D63 IonicContact NH1-OD2 3.36Å; R38-D63 PolarHBondContact NH1-OD2 3.46Å; R38-D63 IonicContact NH2-OD1 3.25Å; R38-D63 PolarHBondContact NH2-OD1 3.39Å; R38-D63 IonicContact NH2-OD2 3.94Å; R45-D63 VanDerWaalsContact CD-OD2 3.31Å; R45-D63 WeakPolarHBondContact CD-OD2 3.4Å; R45-D63 HydrophobicContact CG-CB 4.42Å; R45-D63 IonicContact NE-OD2 2.62Å; D61-D63 PolarHBondContact O-N 3.06Å; D61-D63 PolarHBondContact OD1-N 2.97Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å
64	A	97.1	Very high	97.3	Very high	32 Å²	32	52.8 Å²	52.8	26%	0.264	30%	0.295	S	S	.	.	S	Bend	trans	-62.9	149.8	173	0	0	0	0	0	111.1	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.42Å; D61-A64 WeakPolarHBondContact O-CB 3.29Å; D61-A64 PolarHBondContact O-N 3.35Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.92Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.43Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.32Å
65	A	96.6	Very high	97.3	Very high	116 Å²	116	50.5 Å²	50.5	96%	0.959	28%	0.281	S	S	*	.	S	Bend	trans	-58.9	-31.2	179.9	0	0	0	0	0	113.2
66	S	95.9	Very high	97.4	Very high	79 Å²	79	49 Å²	49	55%	0.552	27%	0.273	S	S	*	.	S	Bend	trans	-135.2	85.3	173.1	173.7	0	0	0	0	109.4	A64 R68	A64-S66 PolarHBondContact O-N 2.92Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.74Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	96.9	Very high	97.3	Very high	36 Å²	36	52.4 Å²	52.4	23%	0.234	29%	0.288	C	S	.	.			trans	-61.9	113.3	-174.6	-23.9	35	0	0	0	112.3	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.32Å; A64-P67 WeakPolarHBondContact O-CD 3.43Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.32Å; P67-K92 WeakPolarHBondContact O-CE 3.44Å; P67-K92 PolarHBondContact O-NZ 2.8Å
68	R	97.6	Very high	97.1	Very high	153 Å²	153	58.3 Å²	58.3	58%	0.577	32%	0.316	S	S	*	.			trans	-147.8	160.1	177.2	63.9	-177.6	174.4	174.4	0.6	110.5	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.26Å; S66-R68 PolarHBondContact O-N 2.74Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.37Å; R68-E70 PolarHBondContact O-N 3.49Å; R68-T88 HydrophobicContact CB-CG2 4.18Å
69	G	97.4	Very high	97	Very high	6 Å²	6	58.9 Å²	58.9	6%	0.062	32%	0.318	C	S	.	.			trans	-64.6	129.1	168.3	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 2.92Å
70	E	97.6	Very high	96.9	Very high	58 Å²	58	56.4 Å²	56.4	27%	0.271	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.4	-178.8	-65.1	177.6	165.9	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.18Å; R59-E70 PolarHBondContact N-O 2.8Å; R59-E70 PolarHBondContact O-N 3.47Å; R68-E70 HydrophobicContact CG-CG 4.37Å; R68-E70 PolarHBondContact O-N 3.49Å; E70-R72 IonicContact OE2-CZ 3.02Å; E70-R72 IonicContact OE2-NH2 3.41Å; E70-R72 PolarHBondContact OE2-NH2 3.06Å
71	P	97.9	Very high	96.8	Very high	48 Å²	48	60.3 Å²	60.3	31%	0.312	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	144.9	172.4	28.5	-33.8	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.79Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.97Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.26Å
72	R	97.3	Very high	96.7	Very high	121 Å²	121	66 Å²	66	46%	0.457	37%	0.369	S	S	.	.			trans	-127.4	-1.4	175.3	-61	-64.9	172.3	174.3	-3.3	113.3	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; Q56-R72 CarbonylContact O-C 3.53Å; F57-R72 PolarHBondContact O-N 3.25Å; R59-R72 HydrophobicContact CB-CG 3.89Å; E70-R72 IonicContact OE2-CZ 3.02Å; E70-R72 IonicContact OE2-NH2 3.41Å; E70-R72 PolarHBondContact OE2-NH2 3.06Å
73	A	95.9	Very high	96.7	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.033	36%	0.359	C	S	.	.	S	Bend	trans	-136.8	144.2	173.3	0	0	0	0	0	110.8	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.41Å; F57-A73 HydrophobicContact CB-CB 4.06Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 2.93Å; A73-V76 VanDerWaalsContact O-CG1 3.24Å; A73-V76 WeakPolarHBondContact O-CG1 3.41Å; A73-V76 PolarHBondContact O-N 3.04Å
74	P	95.9	Very high	96.7	Very high	102 Å²	102	63.2 Å²	63.2	66%	0.662	35%	0.348	S	S	*	.	H	α-helix	trans	-58.3	-37.7	-177.2	-26.3	34.8	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 3.18Å; P74-E77 WeakPolarHBondContact O-CB 3.46Å; P74-E77 PolarHBondContact O-N 2.86Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	95.8	Very high	96.8	Very high	15 Å²	15	66.8 Å²	66.8	6%	0.057	36%	0.363	C	S	.	.	H	α-helix	trans	-70.4	-13.3	-175.6	52.8	-106.4	0	0	0	114.6	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.89Å; F57-W75 AromaticContact CD1-CH2 3.92Å; F57-W75 HydrophobicContact CD1-CH2 3.92Å; F57-W75 AromaticContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CZ3 4.18Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.1Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 2.93Å; W75-Q78 WeakPolarHBondContact O-CG 3.27Å; W75-Y195 HydrophobicContact CE3-CD1 4.29Å; W75-Y195 HydrophobicContact CE3-CG 4.46Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.66Å; W75-Y195 HydrophobicContact CZ3-CD1 3.66Å; W75-Y195 HydrophobicContact CZ3-CD2 4.25Å; W75-Y195 HydrophobicContact CZ3-CE1 4.39Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; W75-N198 HydrophobicContact CB-CB 4.4Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.14Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å
76	V	97.1	Very high	96.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-94.4	-16.3	172.6	73.1	0	0	0	0	112.1	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.4Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.1Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.49Å; P71-V76 HydrophobicContact CB-CG1 3.79Å; A73-V76 VanDerWaalsContact O-CG1 3.24Å; A73-V76 WeakPolarHBondContact O-CG1 3.41Å; A73-V76 PolarHBondContact O-N 3.04Å; P74-V76 PolarHBondContact O-N 3.18Å; V76-Q78 PolarHBondContact O-N 2.9Å; V76-E79 HydrophobicContact CG2-CG 3.95Å; V76-E79 WeakPolarHBondContact O-CB 3.48Å; V76-E79 WeakPolarHBondContact O-CG 3.33Å; V76-E79 PolarHBondContact O-N 2.89Å; V76-Y83 HydrophobicContact CG2-CE1 4.16Å; V76-W84 HydrophobicContact CG1-CH2 4.04Å; V76-W84 HydrophobicContact CG1-CZ2 4.24Å; V76-W84 HydrophobicContact CG2-CH2 3.98Å; V76-W84 HydrophobicContact CG2-CZ2 4.01Å; V76-W84 WeakPolarHBondContact O-CZ2 3.23Å; V76-Y195 HydrophobicContact CG2-CE1 4.44Å
77	E	95.4	Very high	96.9	Very high	123 Å²	123	62.7 Å²	62.7	58%	0.575	31%	0.311	S	S	*	.	H	α-helix	trans	-63.1	-25.3	179.9	-65.1	-176.7	179.1	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.97Å; P74-E77 WeakPolarHBondContact O-CB 3.46Å; P74-E77 PolarHBondContact O-N 2.86Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 3.49Å
78	Q	94.6	Very high	96.9	Very high	123 Å²	123	61.5 Å²	61.5	58%	0.575	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.8	175.6	67.2	-179.9	14.3	0	0	114.2	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.27Å; V76-Q78 PolarHBondContact O-N 2.9Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.42Å; Q78-N198 PolarHBondContact NE2-OD1 3.18Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å
79	E	96.6	Very high	97	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.056	30%	0.3	C	S	.	.	S	Bend	trans	-66.3	136.8	174.4	-66.6	-61.9	152	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.95Å; V76-E79 WeakPolarHBondContact O-CB 3.48Å; V76-E79 WeakPolarHBondContact O-CG 3.33Å; V76-E79 PolarHBondContact O-N 2.89Å; E77-E79 PolarHBondContact O-N 3.49Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CD2 4.42Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4.09Å; E79-Y83 HydrophobicContact CG-CD2 4.38Å; E79-Y83 HydrophobicContact CG-CE1 4.31Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; E79-W84 PolarHBondContact O-NE1 2.81Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; E79-R194 VanDerWaalsContact CD-NH2 3.25Å; E79-R194 IonicContact OE1-CZ 3.56Å; E79-R194 VanDerWaalsContact OE1-CZ 3.3Å; E79-R194 IonicContact OE1-NE 3.66Å; E79-R194 PolarHBondContact OE1-NE 2.9Å; E79-R194 IonicContact OE1-NH2 3.49Å; E79-R194 PolarHBondContact OE1-NH2 3.36Å; E79-R194 IonicContact OE2-CZ 3.83Å; E79-R194 IonicContact OE2-NE 2.78Å; E79-R194 IonicContact OE2-NH2 3.91Å; E79-R194 PolarHBondContact OE2-NH2 3.02Å; E79-N198 PolarHBondContact OE1-ND2 3.29Å
80	G	95.8	Very high	97	Very high	28 Å²	28	62.4 Å²	62.4	29%	0.289	31%	0.311	S	S	.	.			trans	-69.2	169.3	-174.5	0	0	0	0	0	114.5	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.91Å; G80-Y83 WeakPolarHBondContact O-CB 3.4Å; G80-Y83 PolarHBondContact O-N 3.35Å; G80-W84 PolarHBondContact O-N 3.37Å
81	P	96.8	Very high	97	Very high	86 Å²	86	59.7 Å²	59.7	56%	0.558	30%	0.299	S	S	*	.	H	α-helix	trans	-58.3	-33.5	-179.5	24.1	-33.2	0	0	0	112.9	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.63Å; P81-W84 PolarHBondContact O-N 2.94Å; P81-D85 WeakPolarHBondContact O-CB 3.43Å; P81-D85 PolarHBondContact O-N 3.19Å
82	E	97.4	Very high	97	Very high	138 Å²	138	61.6 Å²	61.6	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-63.2	-33.5	178.5	-58.8	81.2	-176.7	0	0	112.4	G80 R86	G80-E82 PolarHBondContact O-N 2.91Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.83Å; E82-R86 VanDerWaalsContact O-N 3.1Å
83	Y	97.4	Very high	97.1	Very high	8 Å²	8	63.8 Å²	63.8	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-52.9	173.8	170	-91	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CD2 4.42Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4.09Å; E79-Y83 HydrophobicContact CG-CD2 4.38Å; E79-Y83 HydrophobicContact CG-CE1 4.31Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.4Å; G80-Y83 PolarHBondContact O-N 3.35Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.63Å; Y83-D85 PolarHBondContact O-N 3.36Å; Y83-R86 PolarHBondContact O-N 3.1Å; Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CD2-CG 4.24Å; Y83-E87 HydrophobicContact CE1-CG 3.92Å; Y83-E87 HydrophobicContact CE2-CG 3.79Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 2.82Å; Y83-W191 AromaticContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CZ2 4.34Å; Y83-W191 AromaticContact CD2-CZ3 3.77Å; Y83-W191 HydrophobicContact CD2-CZ3 3.77Å; Y83-W191 HydrophobicContact CE2-CE3 4.26Å; Y83-W191 AromaticContact CE2-CH2 3.94Å; Y83-W191 HydrophobicContact CE2-CH2 3.94Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.39Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å
84	W	97.9	Very high	97.2	Very high	39 Å²	39	65.7 Å²	65.7	15%	0.148	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-37.9	-176.8	-67.6	111.6	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.07Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.26Å; V76-W84 HydrophobicContact CG1-CH2 4.04Å; V76-W84 HydrophobicContact CG1-CZ2 4.24Å; V76-W84 HydrophobicContact CG2-CH2 3.98Å; V76-W84 HydrophobicContact CG2-CZ2 4.01Å; V76-W84 WeakPolarHBondContact O-CZ2 3.23Å; E79-W84 PolarHBondContact O-NE1 2.81Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; G80-W84 PolarHBondContact O-N 3.37Å; P81-W84 PolarHBondContact O-N 2.94Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 3.07Å; W84-T88 PolarHBondContact O-OG1 3.16Å
85	D	97.9	Very high	97.3	Very high	108 Å²	108	61.8 Å²	61.8	58%	0.578	30%	0.295	S	S	*	.	H	α-helix	trans	-64.5	-46.1	174.2	-77.2	-19.5	0	0	0	110.9	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.43Å; P81-D85 PolarHBondContact O-N 3.19Å; Y83-D85 PolarHBondContact O-N 3.36Å; D85-T88 PolarHBondContact O-N 3.13Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.2Å; D85-Q89 PolarHBondContact O-N 2.69Å
86	R	97.4	Very high	97.4	Very high	102 Å²	102	66.2 Å²	66.2	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-47.2	178.2	-176.7	-178	65.1	-139.9	-4	111.9	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.83Å; E82-R86 VanDerWaalsContact O-N 3.1Å; Y83-R86 PolarHBondContact O-N 3.1Å; R86-Q89 PolarHBondContact O-N 2.95Å; R86-K90 WeakPolarHBondContact O-CG 2.94Å; R86-K90 PolarHBondContact O-N 2.86Å
87	E	97.5	Very high	97.4	Very high	6 Å²	6	68.2 Å²	68.2	3%	0.028	33%	0.333	C	S	.	.	H	α-helix	trans	-65.3	-42.2	178.7	-64.9	-43.6	118.4	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CD2-CG 4.24Å; Y83-E87 HydrophobicContact CE1-CG 3.92Å; Y83-E87 HydrophobicContact CE2-CG 3.79Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 2.82Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.12Å; E87-K90 WeakPolarHBondContact O-CB 3.11Å; E87-K90 PolarHBondContact O-N 2.85Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 IonicContact OE1-NZ 2.8Å; E87-K90 PolarHBondContact OE1-NZ 2.87Å; E87-K90 WeakPolarHBondContact OE2-CD 3.38Å; E87-K90 IonicContact OE2-NZ 2.77Å; E87-K90 PolarHBondContact OE2-NZ 3.3Å; E87-Y91 HydrophobicContact CB-CE2 4.01Å; E87-Y91 WeakPolarHBondContact O-CD2 3.04Å; E87-Y91 PolarHBondContact O-N 2.9Å
88	T	98.3	Very high	97.6	Very high	12 Å²	12	62.7 Å²	62.7	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-57.4	-44.1	174.1	-64.5	0	0	0	0	112.1	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.18Å; G69-T88 PolarHBondContact N-OG1 2.92Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 3.07Å; W84-T88 PolarHBondContact O-OG1 3.16Å; D85-T88 PolarHBondContact O-N 3.13Å; T88-Y91 PolarHBondContact O-N 3.04Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 2.82Å
89	Q	98.3	Very high	97.7	Very high	108 Å²	108	60.5 Å²	60.5	51%	0.505	29%	0.294	S	S	.	.	H	α-helix	trans	-68.5	-34.8	177.5	-69.3	-61	-24	0	0	112.6	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.2Å; D85-Q89 PolarHBondContact O-N 2.69Å; R86-Q89 PolarHBondContact O-N 2.95Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.12Å; Q89-R93 WeakPolarHBondContact O-CB 3.5Å; Q89-R93 WeakPolarHBondContact O-CG 3.16Å; Q89-R93 PolarHBondContact O-N 2.86Å
90	K	97.5	Very high	97.7	Very high	70 Å²	70	63.5 Å²	63.5	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-50.5	171.9	-74.1	172	177.9	174	0	111	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 2.94Å; R86-K90 PolarHBondContact O-N 2.86Å; E87-K90 WeakPolarHBondContact O-CB 3.11Å; E87-K90 PolarHBondContact O-N 2.85Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 IonicContact OE1-NZ 2.8Å; E87-K90 PolarHBondContact OE1-NZ 2.87Å; E87-K90 WeakPolarHBondContact OE2-CD 3.38Å; E87-K90 IonicContact OE2-NZ 2.77Å; E87-K90 PolarHBondContact OE2-NZ 3.3Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.9Å; K90-R93 PolarHBondContact O-N 3.4Å; K90-Q94 PolarHBondContact O-N 2.86Å
91	Y	98.4	Very high	97.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-42.4	178.2	-62	-48.1	0	0	0	112.5	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.2Å; Y33-Y91 AromaticContact CE1-CE1 3.82Å; Y33-Y91 HydrophobicContact CE1-CE1 3.82Å; Y33-Y91 AromaticContact CZ-CE1 3.86Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.16Å; F46-Y91 HydrophobicContact CE1-CD1 4.48Å; A48-Y91 HydrophobicContact CB-CD1 3.67Å; A48-Y91 HydrophobicContact CB-CE1 3.72Å; A48-Y91 HydrophobicContact CB-CG 4.49Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.4Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.48Å; F60-Y91 HydrophobicContact CB-CD1 4.39Å; F60-Y91 HydrophobicContact CB-CD2 3.62Å; F60-Y91 HydrophobicContact CB-CE2 4.09Å; F60-Y91 HydrophobicContact CB-CG 3.81Å; F60-Y91 HydrophobicContact CD1-CG 4.42Å; F60-Y91 AromaticContact CD2-CD2 3.74Å; F60-Y91 HydrophobicContact CD2-CD2 3.74Å; F60-Y91 AromaticContact CD2-CG 4Å; F60-Y91 HydrophobicContact CD2-CG 4Å; F60-Y91 AromaticContact CG-CD2 3.85Å; F60-Y91 HydrophobicContact CG-CD2 3.85Å; F60-Y91 AromaticContact CG-CG 3.83Å; F60-Y91 HydrophobicContact CG-CG 3.83Å; E87-Y91 HydrophobicContact CB-CE2 4.01Å; E87-Y91 WeakPolarHBondContact O-CD2 3.04Å; E87-Y91 PolarHBondContact O-N 2.9Å; T88-Y91 PolarHBondContact O-N 3.04Å; Y91-R93 PolarHBondContact O-N 3.05Å; Y91-Q94 PolarHBondContact O-N 3.27Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 2.98Å
92	K	98.3	Very high	97.9	Very high	88 Å²	88	60.6 Å²	60.6	38%	0.383	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-41	176.7	-74.6	178.4	178.6	176.3	0	112.8	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.06Å; P67-K92 WeakPolarHBondContact O-CE 3.44Å; P67-K92 PolarHBondContact O-NZ 2.8Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 2.82Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.9Å; K92-Q96 PolarHBondContact O-N 2.03Å
93	R	98.3	Very high	97.9	Very high	167 Å²	167	60.8 Å²	60.8	63%	0.63	28%	0.284	S	S	*	.	H	α-helix	trans	-65	-42.6	174.7	-75.7	-173.1	-66.5	176.4	1.4	111.3	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.5Å; Q89-R93 WeakPolarHBondContact O-CG 3.16Å; Q89-R93 PolarHBondContact O-N 2.86Å; K90-R93 PolarHBondContact O-N 3.4Å; Y91-R93 PolarHBondContact O-N 3.05Å; R93-Q96 PolarHBondContact O-N 2.79Å; R93-A97 PolarHBondContact O-N 2.89Å
94	Q	98.3	Very high	97.8	Very high	44 Å²	44	63.8 Å²	63.8	21%	0.206	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-43	177.7	-169.1	61.3	39.5	0	0	112.2	Y33 F46 K90 Y91 Q96 A97 D98 W121	Y33-Q94 HydrophobicContact CD2-CG 3.67Å; Y33-Q94 HydrophobicContact CE2-CB 4.42Å; Y33-Q94 HydrophobicContact CE2-CG 3.86Å; F46-Q94 HydrophobicContact CE2-CB 4.28Å; F46-Q94 HydrophobicContact CE2-CG 3.82Å; F46-Q94 HydrophobicContact CZ-CB 3.98Å; F46-Q94 HydrophobicContact CZ-CG 3.88Å; K90-Q94 PolarHBondContact O-N 2.86Å; Y91-Q94 PolarHBondContact O-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.85Å; Q94-A97 CarbonylContact O-C 3.59Å; Q94-A97 WeakPolarHBondContact O-CA 3.34Å; Q94-A97 WeakPolarHBondContact O-CB 3.3Å; Q94-A97 PolarHBondContact O-N 3.26Å; Q94-D98 PolarHBondContact NE2-OD1 2.81Å; Q94-D98 PolarHBondContact O-N 3.36Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.43Å; Q94-W121 HydrophobicContact CG-CE3 4.36Å; Q94-W121 HydrophobicContact CG-CZ3 4.14Å
95	A	98.3	Very high	97.8	Very high	20 Å²	20	62.2 Å²	62.2	17%	0.165	30%	0.295	C	S	.	.	H	α-helix	trans	-56.9	-37.7	176.1	0	0	0	0	0	112.4	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.7Å; F46-A95 HydrophobicContact CD1-CB 3.78Å; F46-A95 HydrophobicContact CD2-CB 4.18Å; F46-A95 HydrophobicContact CE1-CB 4.45Å; F46-A95 HydrophobicContact CG-CB 3.62Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 2.98Å; A95-R99 WeakPolarHBondContact O-CB 3.43Å; A95-R99 PolarHBondContact O-N 2.98Å; A95-R99 VanDerWaalsContact O-N 3.12Å
96	Q	97.9	Very high	97.8	Very high	109 Å²	109	59.9 Å²	59.9	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-71.4	-39.4	174	-65.2	-57.5	-38.7	0	0	112.4	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.03Å; R93-Q96 PolarHBondContact O-N 2.79Å; Q94-Q96 PolarHBondContact O-N 2.85Å; Q96-R99 WeakPolarHBondContact O-CB 3.39Å; Q96-R99 PolarHBondContact O-N 2.79Å; Q96-V100 PolarHBondContact O-N 2.81Å
97	A	97.9	Very high	97.7	Very high	42 Å²	42	57.2 Å²	57.2	35%	0.347	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-47.7	175.2	0	0	0	0	0	111.1	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 2.89Å; Q94-A97 CarbonylContact O-C 3.59Å; Q94-A97 WeakPolarHBondContact O-CA 3.34Å; Q94-A97 WeakPolarHBondContact O-CB 3.3Å; Q94-A97 PolarHBondContact O-N 3.26Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.04Å; A97-V100 CarbonylContact O-C 3.58Å; A97-V100 WeakPolarHBondContact O-CA 3.39Å; A97-V100 WeakPolarHBondContact O-CB 3.29Å; A97-V100 PolarHBondContact O-N 3.39Å; A97-S101 PolarHBondContact O-N 3.11Å; A97-S101 PolarHBondContact O-OG 2.93Å
98	D	97.9	Very high	97.7	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.032	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-35.4	179.7	-74.3	-1.3	0	0	0	112.4	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.65Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.21Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.41Å; Q94-D98 PolarHBondContact NE2-OD1 2.81Å; Q94-D98 PolarHBondContact O-N 3.36Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.43Å; D98-S101 PolarHBondContact O-N 2.86Å; D98-L102 WeakPolarHBondContact O-CB 3.38Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.47Å; D98-L102 PolarHBondContact O-N 2.99Å; D98-L119 HydrophobicContact CB-CD2 4.22Å
99	R	97.5	Very high	97.7	Very high	78 Å²	78	62.1 Å²	62.1	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-58.1	-44	171.2	176.7	-169.6	179.8	-166.9	5.5	111.7	E43 P44 A95 Q96 A97 R103	E43-R99 IonicContact OE1-CZ 3.19Å; E43-R99 IonicContact OE1-NE 3.45Å; E43-R99 IonicContact OE1-NH1 3.92Å; E43-R99 IonicContact OE1-NH2 2.72Å; E43-R99 PolarHBondContact OE1-NH2 3.38Å; E43-R99 VanDerWaalsContact OE2-CD 3.3Å; E43-R99 WeakPolarHBondContact OE2-CD 3.22Å; E43-R99 IonicContact OE2-CZ 2.75Å; E43-R99 IonicContact OE2-NE 3.3Å; E43-R99 PolarHBondContact OE2-NE 3.37Å; E43-R99 IonicContact OE2-NH1 3.38Å; E43-R99 IonicContact OE2-NH2 2.72Å; E43-R99 PolarHBondContact OE2-NH2 2.95Å; E43-R99 VanDerWaalsContact OE2-NH2 3.15Å; P44-R99 HydrophobicContact CG-CB 4.36Å; P44-R99 HydrophobicContact CG-CG 4.18Å; A95-R99 WeakPolarHBondContact O-CB 3.43Å; A95-R99 PolarHBondContact O-N 2.98Å; A95-R99 VanDerWaalsContact O-N 3.12Å; Q96-R99 WeakPolarHBondContact O-CB 3.39Å; Q96-R99 PolarHBondContact O-N 2.79Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.04Å; R99-R103 PolarHBondContact O-N 2.94Å
100	V	97.5	Very high	97.6	Very high	74 Å²	74	64.3 Å²	64.3	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-69.6	-42.5	176.9	175.9	0	0	0	0	110.4	Q96 A97 D98 L102 R103 N104	Q96-V100 PolarHBondContact O-N 2.81Å; A97-V100 CarbonylContact O-C 3.58Å; A97-V100 WeakPolarHBondContact O-CA 3.39Å; A97-V100 WeakPolarHBondContact O-CB 3.29Å; A97-V100 PolarHBondContact O-N 3.39Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.43Å; V100-L102 PolarHBondContact O-N 2.75Å; V100-R103 WeakPolarHBondContact O-CB 3.29Å; V100-R103 PolarHBondContact O-N 3.49Å; V100-N104 PolarHBondContact O-N 2.94Å
101	S	97.9	Very high	97.6	Very high	45 Å²	45	63.8 Å²	63.8	32%	0.315	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-45.7	176.9	-63.8	0	0	0	0	112.1	A97 D98 R103 N104 L105	A97-S101 PolarHBondContact O-N 3.11Å; A97-S101 PolarHBondContact O-OG 2.93Å; D98-S101 PolarHBondContact O-N 2.86Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.15Å; S101-N104 PolarHBondContact O-N 2.85Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-L105 WeakPolarHBondContact O-CB 3.42Å; S101-L105 VanDerWaalsContact O-CG 3.25Å; S101-L105 WeakPolarHBondContact O-CG 3.38Å; S101-L105 PolarHBondContact O-N 3.36Å
102	L	98.1	Very high	97.4	Very high	8 Å²	8	67.5 Å²	67.5	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-57.3	-40	175.7	-77.7	166.8	0	0	0	112.2	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.87Å; P44-L102 HydrophobicContact CB-CD1 3.74Å; P44-L102 HydrophobicContact CG-CD1 3.89Å; D98-L102 WeakPolarHBondContact O-CB 3.38Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.47Å; D98-L102 PolarHBondContact O-N 2.99Å; V100-L102 PolarHBondContact O-N 2.75Å; L102-R106 WeakPolarHBondContact O-CB 3.47Å; L102-R106 PolarHBondContact O-N 2.82Å; L102-R106 VanDerWaalsContact O-N 3.12Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.11Å; L102-Y142 HydrophobicContact CD2-CE2 4.04Å
103	R	96.2	Very high	97.1	Very high	142 Å²	142	69.9 Å²	69.9	54%	0.536	35%	0.352	S	S	.	.	H	α-helix	trans	-66.9	-42.7	175.6	-173	-175.2	-62.9	164.9	1	111.9	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 2.94Å; V100-R103 WeakPolarHBondContact O-CB 3.29Å; V100-R103 PolarHBondContact O-N 3.49Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.15Å; R103-G107 PolarHBondContact O-N 2.83Å
104	N	97.1	Very high	96.8	Very high	71 Å²	71	66 Å²	66	38%	0.38	36%	0.356	S	S	.	.	H	α-helix	trans	-65.8	-46.7	179.2	-69.6	-20.1	0	0	0	111.6	V100 S101 R106 G107 Y108	V100-N104 PolarHBondContact O-N 2.94Å; S101-N104 PolarHBondContact O-N 2.85Å; S101-N104 VanDerWaalsContact O-N 3.11Å; N104-R106 PolarHBondContact O-N 3.48Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 3.42Å; N104-Y108 WeakPolarHBondContact O-CD1 3.33Å; N104-Y108 PolarHBondContact O-N 2.62Å
105	L	97.9	Very high	96.5	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-59.3	-47.7	178.9	-71.1	166.5	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.42Å; S101-L105 VanDerWaalsContact O-CG 3.25Å; S101-L105 WeakPolarHBondContact O-CG 3.38Å; S101-L105 PolarHBondContact O-N 3.36Å; L105-G107 PolarHBondContact O-N 2.98Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 2.91Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 WeakPolarHBondContact O-CD2 3.5Å; L105-Y109 PolarHBondContact O-N 3.28Å; L105-L119 HydrophobicContact CD1-CD1 3.88Å; L105-L119 HydrophobicContact CD1-CD2 4.29Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 4.05Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.35Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.77Å; L105-Y147 HydrophobicContact CD2-CE2 3.47Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.47Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.34Å
106	R	96.5	Very high	96.5	Very high	59 Å²	59	67.5 Å²	67.5	22%	0.223	37%	0.374	C	S	.	.	H	α-helix	trans	-53	-40.6	174	-171.4	-174.7	66.6	-179.6	8.9	112.2	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.47Å; L102-R106 PolarHBondContact O-N 2.82Å; L102-R106 VanDerWaalsContact O-N 3.12Å; N104-R106 PolarHBondContact O-N 3.48Å; R106-N110 PolarHBondContact O-N 2.95Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.34Å; R106-Q111 PolarHBondContact O-N 3.13Å; R106-E113 IonicContact CZ-OE1 2.68Å; R106-E113 IonicContact NH1-OE1 3.38Å; R106-E113 IonicContact NH2-OE1 3.05Å; R106-E113 PolarHBondContact NH2-OE1 3.36Å
107	G	96.6	Very high	96.5	Very high	46 Å²	46	63.1 Å²	63.1	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-66.7	-45.4	174.8	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.83Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.49Å; N104-G107 PolarHBondContact O-N 3.42Å; L105-G107 PolarHBondContact O-N 2.98Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.62Å; G107-N110 PolarHBondContact O-N 2.92Å; G107-N110 VanDerWaalsContact O-N 3.14Å
108	Y	97.8	Very high	96.5	Very high	57 Å²	57	62.9 Å²	62.9	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-35.4	178.9	-63.8	-12.1	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.33Å; N104-Y108 PolarHBondContact O-N 2.62Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 2.91Å; Y108-I166 HydrophobicContact CD1-CD1 4.14Å; Y108-I166 HydrophobicContact CD2-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 4.15Å; Y108-I166 HydrophobicContact CE2-CB 4.2Å; Y108-I166 HydrophobicContact CE2-CG2 4.08Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 3.43Å
109	Y	97.8	Very high	96.6	Very high	64 Å²	64	63.1 Å²	63.1	25%	0.251	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.4	178.2	-67.7	-72.8	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 WeakPolarHBondContact O-CD2 3.5Å; L105-Y109 PolarHBondContact O-N 3.28Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.62Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.46Å; Y109-Y142 HydrophobicContact CE2-CD1 3.46Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.46Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.46Å; Y109-Y147 HydrophobicContact CE2-CE2 4.17Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.38Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.39Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.29Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 PolarHBondContact OH-OD1 2.9Å; Y109-D161 PolarHBondContact OH-OD2 3.49Å; Y109-A163 HydrophobicContact CD1-CB 4.14Å; Y109-A163 HydrophobicContact CD2-CB 4.47Å; Y109-A163 HydrophobicContact CE1-CB 3.58Å; Y109-A163 HydrophobicContact CE2-CB 3.95Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	96.7	Very high	96.6	Very high	153 Å²	153	63.1 Å²	63.1	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	39.3	-177.9	-57.4	-59.1	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 2.95Å; R106-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 2.92Å; G107-N110 VanDerWaalsContact O-N 3.14Å
111	Q	96.9	Very high	96.7	Very high	60 Å²	60	60.8 Å²	60.8	28%	0.28	34%	0.335	S	S	.	.			trans	-88.3	152.1	-176.5	-70.6	165.8	-31.1	0	0	112	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.34Å; R106-Q111 PolarHBondContact O-N 3.13Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Q111-H117 PolarHBondContact NE2-CE1 3.24Å; Q111-H117 PolarHBondContact OE1-CE1 3.27Å; Q111-Y142 PolarHBondContact OE1-OH 3.3Å
112	S	94.5	Very high	96.7	Very high	78 Å²	78	59.6 Å²	59.6	55%	0.545	33%	0.325	S	S	.	.			trans	-70.4	153.8	-179.1	79.5	0	0	0	0	112.8	A114 G115	S112-A114 PolarHBondContact O-N 2.77Å; S112-G115 PolarHBondContact O-N 2.71Å
113	E	91	Very high	96.7	Very high	137 Å²	137	60.1 Å²	60.1	64%	0.64	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.1	177.2	-55.5	-153.5	125.9	0	0	114.5	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 VanDerWaalsContact CG-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.41Å; R106-E113 IonicContact CZ-OE1 2.68Å; R106-E113 IonicContact NH1-OE1 3.38Å; R106-E113 IonicContact NH2-OE1 3.05Å; R106-E113 PolarHBondContact NH2-OE1 3.36Å; E113-G115 VanDerWaalsContact C-N 3.32Å
114	A	91.9	Very high	96.9	Very high	85 Å²	85	53.3 Å²	53.3	70%	0.702	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16	-179.1	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 2.77Å
115	G	93.1	Very high	96.9	Very high	22 Å²	22	50 Å²	50	23%	0.227	28%	0.283	C	S	.	.			trans	-74	135.4	-179.3	0	0	0	0	0	112.6	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.3Å; S112-G115 PolarHBondContact O-N 2.71Å; E113-G115 VanDerWaalsContact C-N 3.32Å; G115-H117 PolarHBondContact O-CD2 3.5Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	97.2	Very high	97	Very high	75 Å²	75	50.9 Å²	50.9	52%	0.524	29%	0.288	S	S	.	.			trans	-84.1	130.8	164	-179.8	0	0	0	0	108.6	S37	S37-S116 WeakPolarHBondContact O-CB 3.33Å; S37-S116 PolarHBondContact O-OG 3.1Å
117	H	98.3	Very high	97	Very high	17 Å²	17	48.1 Å²	48.1	8%	0.079	28%	0.277	C	S	.	.			trans	-129.1	150.3	-177.5	-61.4	-77.6	0	0	0	111.2	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.15Å; S37-H117 WeakPolarHBondContact OG-CA 3.39Å; S37-H117 PolarHBondContact OG-N 3.25Å; S37-H117 PolarHBondContact OG-O 3.14Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; Q111-H117 PolarHBondContact NE2-CE1 3.24Å; Q111-H117 PolarHBondContact OE1-CE1 3.27Å; G115-H117 PolarHBondContact O-CD2 3.5Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.78Å; H117-Y142 WeakPolarHBondContact CB-OH 3.41Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.89Å; H117-Y142 PolarHBondContact ND1-OH 3.09Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 WeakPolarHBondContact CB-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.73Å; H117-D143 IonicContact CG-OD1 3.77Å; H117-D143 IonicContact CG-OD2 2.77Å; H117-D143 IonicContact ND1-OD1 3.5Å; H117-D143 IonicContact ND1-OD2 3.01Å; H117-D143 PolarHBondContact ND1-OD2 2.89Å
118	T	98.7	Very high	96.9	Very high	37 Å²	37	46.1 Å²	46.1	23%	0.227	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.2	-175.7	-59.5	0	0	0	0	110.3	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.01Å; A35-T118 WeakPolarHBondContact O-CA 3.44Å; V36-T118 HydrophobicContact CG2-CG2 4.23Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Y142 WeakPolarHBondContact O-CA 3.48Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.4Å; T118-D143 PolarHBondContact N-OD1 3.41Å; T118-D143 PolarHBondContact O-N 2.89Å
119	L	98.8	Very high	96.5	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.058	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.7	169.2	175.4	61.9	0	0	0	108.2	T34 A35 D98 L102 L105 A141	T34-L119 CarbonylContact C-O 3.55Å; T34-L119 WeakPolarHBondContact CA-O 3.25Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.18Å; A35-L119 PolarHBondContact O-N 3.28Å; D98-L119 HydrophobicContact CB-CD2 4.22Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.11Å; L105-L119 HydrophobicContact CD1-CD1 3.88Å; L105-L119 HydrophobicContact CD1-CD2 4.29Å; L119-A141 WeakPolarHBondContact CD1-O 3.21Å
120	Q	98.8	Very high	96.2	Very high	77 Å²	77	49.3 Å²	49.3	36%	0.36	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143	176.7	-68	170.5	-85.8	0	0	109.3	Y33 T34 T118 S140 A141	Y33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 VanDerWaalsContact O-CA 3.24Å; Q120-S140 WeakPolarHBondContact O-CA 3.32Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.86Å; Q120-A141 PolarHBondContact O-N 3Å
121	W	98.6	Very high	95.9	Very high	25 Å²	25	42.6 Å²	42.6	10%	0.095	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	125.8	178.8	-179.3	34.6	0	0	0	109.9	Y33 Q94 Y123 D138 W180	Y33-W121 HydrophobicContact CD2-CD2 4.43Å; Y33-W121 AromaticContact CD2-CE3 3.48Å; Y33-W121 HydrophobicContact CD2-CE3 3.48Å; Y33-W121 VanDerWaalsContact CD2-CE3 3.48Å; Y33-W121 AromaticContact CD2-CZ3 3.8Å; Y33-W121 HydrophobicContact CD2-CZ3 3.8Å; Y33-W121 AromaticContact CE2-CE3 3.95Å; Y33-W121 HydrophobicContact CE2-CE3 3.95Å; Y33-W121 AromaticContact CE2-CZ3 3.78Å; Y33-W121 HydrophobicContact CE2-CZ3 3.78Å; Y33-W121 HydrophobicContact CG-CE3 4.46Å; Y33-W121 PolarHBondContact N-O 2.92Å; Y33-W121 PolarHBondContact O-N 3.44Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.43Å; Q94-W121 HydrophobicContact CG-CE3 4.36Å; Q94-W121 HydrophobicContact CG-CZ3 4.14Å; W121-Y123 AromaticContact CD2-CD1 3.97Å; W121-Y123 HydrophobicContact CD2-CD1 3.97Å; W121-Y123 HydrophobicContact CD2-CE1 4.47Å; W121-Y123 AromaticContact CE2-CD1 3.6Å; W121-Y123 HydrophobicContact CE3-CD1 4.27Å; W121-Y123 HydrophobicContact CE3-CE1 4.32Å; W121-Y123 AromaticContact CH2-CD1 3.85Å; W121-Y123 HydrophobicContact CH2-CD1 3.85Å; W121-Y123 AromaticContact CH2-CE1 3.9Å; W121-Y123 HydrophobicContact CH2-CE1 3.9Å; W121-Y123 AromaticContact CZ2-CD1 3.56Å; W121-Y123 HydrophobicContact CZ2-CD1 3.56Å; W121-Y123 HydrophobicContact CZ2-CE1 4.1Å; W121-Y123 HydrophobicContact CZ2-CG 4.18Å; W121-Y123 HydrophobicContact CZ3-CD1 4.18Å; W121-Y123 AromaticContact CZ3-CE1 4Å; W121-Y123 HydrophobicContact CZ3-CE1 4Å; W121-D138 PolarHBondContact NE1-OD1 3.28Å; W121-W180 AromaticContact CH2-CH2 3.32Å; W121-W180 HydrophobicContact CH2-CH2 3.32Å; W121-W180 AromaticContact CH2-CZ2 3.35Å; W121-W180 HydrophobicContact CH2-CZ2 3.35Å; W121-W180 AromaticContact CZ2-CH2 3.18Å; W121-W180 HydrophobicContact CZ2-CH2 3.18Å; W121-W180 AromaticContact CZ2-CZ2 3.14Å; W121-W180 HydrophobicContact CZ2-CZ2 3.14Å; W121-W180 HydrophobicContact CZ2-CZ3 4.12Å
122	M	98.7	Very high	95.8	Very high	21 Å²	21	48 Å²	48	10%	0.103	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.1	174.9	-175.3	-78.5	-75.6	0	0	109.1	Y31 F32 Y137 D138 Q139	Y31-M122 VanDerWaalsContact O-CA 3.32Å; Y31-M122 WeakPolarHBondContact O-CA 3.33Å; F32-M122 HydrophobicContact CD1-CB 3.95Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.17Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.36Å; F32-M122 HydrophobicContact CZ-CG 4.02Å; M122-Y137 HydrophobicContact CE-CD1 4.21Å; M122-Y137 HydrophobicContact CE-CG 4.25Å; M122-D138 WeakPolarHBondContact O-CA 3.23Å; M122-Q139 HydrophobicContact CB-CG 4.13Å; M122-Q139 HydrophobicContact CE-CG 3.75Å; M122-Q139 PolarHBondContact N-O 2.8Å; M122-Q139 PolarHBondContact O-N 3.49Å
123	Y	98.8	Very high	96	Very high	18 Å²	18	46.5 Å²	46.5	7%	0.071	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159	171.5	69.1	-93.8	0	0	0	110.7	Y31 Y33 W121 Y137 W180 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.27Å; Y31-Y123 AromaticContact CD2-CE2 3.49Å; Y31-Y123 HydrophobicContact CD2-CE2 3.49Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.49Å; Y31-Y123 AromaticContact CD2-CZ 3.8Å; Y31-Y123 HydrophobicContact CE2-CE2 4.26Å; Y31-Y123 HydrophobicContact CG-CE1 4.39Å; Y31-Y123 AromaticContact CG-CE2 3.91Å; Y31-Y123 HydrophobicContact CG-CE2 3.91Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 2.68Å; Y31-Y123 PolarHBondContact O-N 3.41Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å; Y33-Y123 HydrophobicContact CD2-CE1 4.25Å; Y33-Y123 HydrophobicContact CE1-CE1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.62Å; Y33-Y123 HydrophobicContact CE2-CE1 3.62Å; Y33-Y123 AromaticContact CZ-CE1 3.71Å; Y33-Y123 PolarHBondContact OH-OH 3.33Å; W121-Y123 AromaticContact CD2-CD1 3.97Å; W121-Y123 HydrophobicContact CD2-CD1 3.97Å; W121-Y123 HydrophobicContact CD2-CE1 4.47Å; W121-Y123 AromaticContact CE2-CD1 3.6Å; W121-Y123 HydrophobicContact CE3-CD1 4.27Å; W121-Y123 HydrophobicContact CE3-CE1 4.32Å; W121-Y123 AromaticContact CH2-CD1 3.85Å; W121-Y123 HydrophobicContact CH2-CD1 3.85Å; W121-Y123 AromaticContact CH2-CE1 3.9Å; W121-Y123 HydrophobicContact CH2-CE1 3.9Å; W121-Y123 AromaticContact CZ2-CD1 3.56Å; W121-Y123 HydrophobicContact CZ2-CD1 3.56Å; W121-Y123 HydrophobicContact CZ2-CE1 4.1Å; W121-Y123 HydrophobicContact CZ2-CG 4.18Å; W121-Y123 HydrophobicContact CZ3-CD1 4.18Å; W121-Y123 AromaticContact CZ3-CE1 4Å; W121-Y123 HydrophobicContact CZ3-CE1 4Å; Y123-Y137 CarbonylContact C-O 3.49Å; Y123-Y137 WeakPolarHBondContact CA-O 3.16Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; Y123-W180 HydrophobicContact CD2-CZ3 4.03Å; Y123-W180 HydrophobicContact CG-CH2 4.35Å; Y123-W180 HydrophobicContact CG-CZ3 4.1Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.84Å; Y123-Y183 HydrophobicContact CE2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å
124	G	98.6	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-177.1	-179.1	0	0	0	0	0	114.3	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.4Å; G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.4Å; G124-Y137 PolarHBondContact N-O 3.38Å; G124-Y137 PolarHBondContact O-N 3.04Å; G124-L184 WeakPolarHBondContact O-CD2 3.36Å
125	C	98.6	Very high	96.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.2	-177.8	52.7	0	0	0	0	111.1	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.55Å; S28-C125 WeakPolarHBondContact CA-O 3.42Å; M29-C125 PolarHBondContact N-O 3.06Å; M29-C125 PolarHBondContact O-N 3.48Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.02Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.42Å; C125-C188 PolarHBondContact N-SG 3.46Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.3Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.27Å
126	D	98.2	Very high	96.7	Very high	26 Å²	26	45.1 Å²	45.1	14%	0.139	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.1	170.1	-59.1	-13	0	0	0	108.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; S28-D126 WeakPolarHBondContact CB-OD1 3.18Å; R30-D126 IonicContact CZ-OD1 3.65Å; R30-D126 IonicContact NE-OD1 3.7Å; R30-D126 PolarHBondContact NE-OD1 3.42Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 2.68Å; R30-D126 PolarHBondContact NH2-OD1 2.95Å; R30-D126 IonicContact NH2-OD2 3.32Å; R30-D126 PolarHBondContact NH2-OD2 3.31Å; D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.88Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 2.72Å; D126-R135 PolarHBondContact O-N 2.87Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.32Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.31Å; D126-Y137 PolarHBondContact OD2-OH 2.92Å
127	V	97.3	Very high	96.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.4	177.8	-60.7	0	0	0	0	111.1	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.58Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CB-O 3.45Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 3.24Å; H27-V127 PolarHBondContact O-N 3.49Å; V127-R132 CarbonylContact C-O 3.49Å; V127-R132 WeakPolarHBondContact CA-O 3.29Å; V127-R132 WeakPolarHBondContact CB-O 3.16Å; V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 4.03Å; V127-V189 HydrophobicContact CG1-CG2 3.91Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	94.1	Very high	96.8	Very high	4 Å²	4	42.6 Å²	42.6	4%	0.041	21%	0.21	C	C	.	.			trans	-79.2	-179.4	174.1	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.8Å; G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 3.27Å; G128-R132 PolarHBondContact N-O 3.29Å
129	P	90.5	Very high	96.8	Very high	93 Å²	93	44.6 Å²	44.6	60%	0.604	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.3	177.3	-21.9	30.6	0	0	0	113.9	A24 C25 G131	A24-P129 HydrophobicContact CB-CG 3.69Å; C25-P129 WeakPolarHBondContact O-CG 3.35Å; P129-G131 PolarHBondContact O-N 2.85Å
130	D	90.8	Very high	96.8	Very high	96 Å²	96	44.8 Å²	44.8	51%	0.513	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.2	174.3	71.2	-13.5	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.8Å; D130-R132 PolarHBondContact O-N 2.83Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 PolarHBondContact OD1-N 3.2Å; D130-R132 WeakPolarHBondContact OD2-CD 2.94Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.28Å; D130-R132 IonicContact OD2-CZ 3.54Å; D130-R132 IonicContact OD2-NE 3.99Å; D130-R132 PolarHBondContact OD2-NE 2.82Å; D130-R132 IonicContact OD2-NH1 2.97Å
131	G	91	Very high	96.8	Very high	12 Å²	12	41.9 Å²	41.9	12%	0.124	21%	0.208	C	C	.	.			trans	72	5.6	-178.3	0	0	0	0	0	114.1	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 3.27Å; P129-G131 PolarHBondContact O-N 2.85Å; G131-V189 WeakPolarHBondContact O-CG1 3.44Å; G131-R193 VanDerWaalsContact C-NH2 3.25Å; G131-R193 VanDerWaalsContact O-CZ 3.22Å; G131-R193 PolarHBondContact O-NE 2.89Å; G131-R193 PolarHBondContact O-NH2 3.32Å
132	R	95	Very high	96.8	Very high	172 Å²	172	41.2 Å²	41.2	65%	0.649	21%	0.206	S	C	*	.			trans	-80.4	150.3	179.9	-64.4	-174.2	-175.5	165	-2.1	111	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.49Å; V127-R132 WeakPolarHBondContact CA-O 3.29Å; V127-R132 WeakPolarHBondContact CB-O 3.16Å; G128-R132 PolarHBondContact N-O 3.29Å; D130-R132 PolarHBondContact O-N 2.83Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 PolarHBondContact OD1-N 3.2Å; D130-R132 WeakPolarHBondContact OD2-CD 2.94Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.28Å; D130-R132 IonicContact OD2-CZ 3.54Å; D130-R132 IonicContact OD2-NE 3.99Å; D130-R132 PolarHBondContact OD2-NE 2.82Å; D130-R132 IonicContact OD2-NH1 2.97Å; R132-L134 PolarHBondContact O-N 2.87Å
133	L	97.4	Very high	96.8	Very high	48 Å²	48	43.3 Å²	43.3	25%	0.251	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	123.3	175.3	-175	72.4	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.01Å; L133-L154 HydrophobicContact CD2-CD1 4.08Å; L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.93Å
134	L	96.9	Very high	96.7	Very high	113 Å²	113	45.3 Å²	45.3	59%	0.592	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	-45.5	167.8	-65.2	177.6	0	0	0	110.5	D126 R132	D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.88Å; R132-L134 PolarHBondContact O-N 2.87Å
135	R	97.3	Very high	96.7	Very high	95 Å²	95	53 Å²	53	36%	0.358	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	141.5	-176	-173.3	162.5	171.3	144.6	11.2	111.7	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.02Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 2.72Å; D126-R135 PolarHBondContact O-N 2.87Å; L133-R135 WeakPolarHBondContact CD1-O 3.01Å; R135-Y137 HydrophobicContact CB-CE2 4.08Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 2.87Å; R135-Y137 HydrophobicContact CG-CD2 4.42Å; R135-Y137 HydrophobicContact CG-CE1 4.05Å; R135-Y137 HydrophobicContact CG-CE2 3.75Å; R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.96Å; R135-E152 VanDerWaalsContact NH1-CD 3.26Å; R135-E152 IonicContact NH1-OE1 3.83Å; R135-E152 PolarHBondContact NH1-OE1 3.02Å; R135-E152 IonicContact NH1-OE2 3.5Å; R135-E152 VanDerWaalsContact NH2-CG 3.35Å; R135-E152 IonicContact NH2-OE1 3.47Å; R135-E152 PolarHBondContact NH2-OE1 3.35Å
136	G	98.3	Very high	96.7	Very high	6 Å²	6	59 Å²	59	6%	0.062	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	152.1	170.4	0	0	0	0	0	111	G124	G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.4Å
137	Y	98.4	Very high	96.8	Very high	38 Å²	38	58.2 Å²	58.2	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.9	-179.4	-54.2	-96.7	0	0	0	110.3	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.3Å; R30-Y137 PolarHBondContact NH2-OH 2.85Å; M122-Y137 HydrophobicContact CE-CD1 4.21Å; M122-Y137 HydrophobicContact CE-CG 4.25Å; Y123-Y137 CarbonylContact C-O 3.49Å; Y123-Y137 WeakPolarHBondContact CA-O 3.16Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; G124-Y137 PolarHBondContact N-O 3.38Å; G124-Y137 PolarHBondContact O-N 3.04Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.32Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.31Å; D126-Y137 PolarHBondContact OD2-OH 2.92Å; R135-Y137 HydrophobicContact CB-CE2 4.08Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 2.87Å; R135-Y137 HydrophobicContact CG-CD2 4.42Å; R135-Y137 HydrophobicContact CG-CE1 4.05Å; R135-Y137 HydrophobicContact CG-CE2 3.75Å
138	D	98.4	Very high	96.8	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	109.5	163.2	174.5	-5.5	0	0	0	106.7	W121 M122 A149 L150 W180	W121-D138 PolarHBondContact NE1-OD1 3.28Å; M122-D138 WeakPolarHBondContact O-CA 3.23Å; D138-A149 CarbonylContact O-C 3.6Å; D138-A149 WeakPolarHBondContact O-CA 3.44Å; D138-L150 HydrophobicContact CB-CB 3.89Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 PolarHBondContact O-N 3.28Å; D138-W180 HydrophobicContact CB-CD2 4.44Å; D138-W180 VanDerWaalsContact OD2-CD1 3.28Å; D138-W180 PolarHBondContact OD2-NE1 2.82Å; D138-W180 VanDerWaalsContact OD2-NE1 3.11Å
139	Q	98.6	Very high	97	Very high	80 Å²	80	59.6 Å²	59.6	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.3	-177.7	60.7	-172.5	62	0	0	111.9	M122 I148 A149	M122-Q139 HydrophobicContact CB-CG 4.13Å; M122-Q139 HydrophobicContact CE-CG 3.75Å; M122-Q139 PolarHBondContact N-O 2.8Å; M122-Q139 PolarHBondContact O-N 3.49Å; Q139-I148 WeakPolarHBondContact CA-O 3.5Å; Q139-A149 HydrophobicContact CB-CB 3.87Å
140	S	98.6	Very high	97.4	Very high	15 Å²	15	55.8 Å²	55.8	11%	0.105	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.3	178.9	-61.7	0	0	0	0	111.2	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 VanDerWaalsContact O-CA 3.24Å; Q120-S140 WeakPolarHBondContact O-CA 3.32Å; S140-Y147 WeakPolarHBondContact O-CB 3.41Å; S140-Y147 PolarHBondContact O-N 3.27Å; S140-I148 PolarHBondContact N-O 3.21Å; S140-I148 PolarHBondContact O-N 3.16Å
141	A	98.8	Very high	97.8	Very high	16 Å²	16	53.4 Å²	53.4	13%	0.132	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.4	174.3	0	0	0	0	0	110.6	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.21Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.86Å; Q120-A141 PolarHBondContact O-N 3Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.28Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å
142	Y	98.8	Very high	98.1	Very high	11 Å²	11	59.3 Å²	59.3	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.9	177.8	-174.7	-120.5	0	0	0	110.3	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.04Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 4.05Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.46Å; Y109-Y142 HydrophobicContact CE2-CD1 3.46Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.46Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Q111-Y142 PolarHBondContact OE1-OH 3.3Å; H117-Y142 HydrophobicContact CB-CE2 3.78Å; H117-Y142 WeakPolarHBondContact CB-OH 3.41Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.89Å; H117-Y142 PolarHBondContact ND1-OH 3.09Å; T118-Y142 WeakPolarHBondContact O-CA 3.48Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.4Å; Y142-G144 PolarHBondContact O-N 2.78Å; Y142-K145 PolarHBondContact N-O 2.93Å; Y142-K145 PolarHBondContact O-N 3.13Å
143	D	98.3	Very high	98.2	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	39.7	-174.7	-66.2	-21.9	0	0	0	113.3	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 WeakPolarHBondContact CB-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.73Å; H117-D143 IonicContact CG-OD1 3.77Å; H117-D143 IonicContact CG-OD2 2.77Å; H117-D143 IonicContact ND1-OD1 3.5Å; H117-D143 IonicContact ND1-OD2 3.01Å; H117-D143 PolarHBondContact ND1-OD2 2.89Å; T118-D143 PolarHBondContact N-OD1 3.41Å; T118-D143 PolarHBondContact O-N 2.89Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.21Å
144	G	97.4	Very high	98.3	Very high	60 Å²	60	53 Å²	53	62%	0.619	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	9.1	177.8	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.78Å
145	K	98.5	Very high	98.3	Very high	162 Å²	162	55.7 Å²	55.7	70%	0.704	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.7	176.2	-62	-178.7	-177.7	179.2	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.28Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å; Y142-K145 PolarHBondContact N-O 2.93Å; Y142-K145 PolarHBondContact O-N 3.13Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.21Å; K145-Y147 PolarHBondContact O-N 3.03Å
146	D	98.7	Very high	98.3	Very high	127 Å²	127	53 Å²	53	68%	0.679	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	136.7	174.5	-66.3	-20.6	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.35Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-63.1	178.4	-179.8	-112.6	0	0	0	110.4	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.35Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.77Å; L105-Y147 HydrophobicContact CD2-CE2 3.47Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.47Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.34Å; Y109-Y147 HydrophobicContact CE2-CD2 4.46Å; Y109-Y147 HydrophobicContact CE2-CE2 4.17Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.38Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.39Å; S140-Y147 WeakPolarHBondContact O-CB 3.41Å; S140-Y147 PolarHBondContact O-N 3.27Å; K145-Y147 PolarHBondContact O-N 3.03Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 3.34Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 2.95Å; Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.32Å; Y147-T167 HydrophobicContact CE1-CG2 4.25Å; Y147-T167 PolarHBondContact OH-OG1 2.86Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.8	179.5	-162.9	170.3	0	0	0	110.1	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.5Å; S140-I148 PolarHBondContact N-O 3.21Å; S140-I148 PolarHBondContact O-N 3.16Å; I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.09Å; I148-T158 WeakPolarHBondContact CA-O 3.29Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-Q168 HydrophobicContact CD1-CB 3.92Å; I148-W171 HydrophobicContact CD1-CE3 3.93Å; I148-W171 HydrophobicContact CD1-CZ3 4.17Å; I148-W171 HydrophobicContact CG2-CE3 4.46Å; I148-W171 HydrophobicContact CG2-CH2 3.96Å; I148-W171 HydrophobicContact CG2-CZ3 3.66Å
149	A	98.8	Very high	98.4	Very high	29 Å²	29	56.1 Å²	56.1	24%	0.24	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.3	178	0	0	0	0	0	111.6	D138 Q139 W157 T158	D138-A149 CarbonylContact O-C 3.6Å; D138-A149 WeakPolarHBondContact O-CA 3.44Å; Q139-A149 HydrophobicContact CB-CB 3.87Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.25Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.18Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.4	168.4	-174.8	66	0	0	0	108.5	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 3.89Å; D138-L150 HydrophobicContact CB-CD2 4.17Å; D138-L150 PolarHBondContact O-N 3.28Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; L150-A177 HydrophobicContact CD1-CB 3.95Å; L150-W180 HydrophobicContact CD2-CB 4Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.4	Very high	45 Å²	45	57.2 Å²	57.2	24%	0.241	32%	0.317	C	S	.	.			trans	-72.2	162	179.7	-67.7	-30.8	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.67Å; N151-L154 PolarHBondContact O-N 3.16Å; N151-S156 WeakPolarHBondContact CB-O 3.21Å; N151-S156 WeakPolarHBondContact CB-OG 3.4Å; N151-S156 PolarHBondContact N-O 3.14Å; N151-S156 PolarHBondContact ND2-O 3.25Å; N151-S156 PolarHBondContact ND2-OG 2.95Å; N151-T158 PolarHBondContact ND2-OG1 3.21Å; N151-T158 WeakPolarHBondContact OD1-CB 3.14Å; N151-T158 PolarHBondContact OD1-OG1 2.98Å
152	E	97.6	Very high	98.3	Very high	136 Å²	136	61.8 Å²	61.8	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.5	179.8	-66.3	178.2	-165.6	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.96Å; R135-E152 VanDerWaalsContact NH1-CD 3.26Å; R135-E152 IonicContact NH1-OE1 3.83Å; R135-E152 PolarHBondContact NH1-OE1 3.02Å; R135-E152 IonicContact NH1-OE2 3.5Å; R135-E152 VanDerWaalsContact NH2-CG 3.35Å; R135-E152 IonicContact NH2-OE1 3.47Å; R135-E152 PolarHBondContact NH2-OE1 3.35Å; E152-L154 PolarHBondContact O-N 2.89Å
153	D	97.5	Very high	98.3	Very high	79 Å²	79	61.5 Å²	61.5	42%	0.422	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.2	174.4	70.3	3.7	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.67Å; D153-R155 WeakPolarHBondContact O-CG 3.27Å; D153-R155 PolarHBondContact O-N 2.92Å; D153-R155 PolarHBondContact OD1-N 3.21Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.16Å; D153-S156 PolarHBondContact OD1-OG 3.06Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.06Å; D153-S156 PolarHBondContact OD2-OG 3.25Å
154	L	98.1	Very high	98.3	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.047	33%	0.327	C	S	.	.	S	Bend	trans	53.3	29.4	-175	-52.8	-178.7	0	0	0	113.5	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.08Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 PolarHBondContact O-N 3.16Å; E152-L154 PolarHBondContact O-N 2.89Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.91Å; L154-R181 HydrophobicContact CD1-CG 4.24Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.3Å
155	R	97.7	Very high	98.4	Very high	169 Å²	169	59.1 Å²	59.1	64%	0.638	31%	0.314	S	S	*	.	S	Bend	trans	-135.9	-29.9	-174.3	-70.2	172.9	-169.7	-152.1	4.9	113	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.27Å; D153-R155 PolarHBondContact O-N 2.92Å; D153-R155 PolarHBondContact OD1-N 3.21Å; R155-R181 VanDerWaalsContact NH2-NH1 3.18Å
156	S	97.9	Very high	98.4	Very high	40 Å²	40	54.2 Å²	54.2	28%	0.28	30%	0.295	S	S	.	.			trans	-119.2	161.5	-176.9	63.5	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.21Å; N151-S156 WeakPolarHBondContact CB-OG 3.4Å; N151-S156 PolarHBondContact N-O 3.14Å; N151-S156 PolarHBondContact ND2-O 3.25Å; N151-S156 PolarHBondContact ND2-OG 2.95Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.16Å; D153-S156 PolarHBondContact OD1-OG 3.06Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.06Å; D153-S156 PolarHBondContact OD2-OG 3.25Å
157	W	98.7	Very high	98.3	Very high	10 Å²	10	49 Å²	49	4%	0.038	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.5	-177.9	-60.6	92.3	0	0	0	110.7	I148 A149 L150 Q168 W171 E176 A177	I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.09Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.25Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; W157-Q168 HydrophobicContact CB-CG 4.14Å; W157-Q168 PolarHBondContact O-NE2 2.93Å; W157-W171 AromaticContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CZ3 4.38Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.74Å; W157-W171 HydrophobicContact CE3-CE3 3.74Å; W157-W171 AromaticContact CE3-CZ3 3.78Å; W157-W171 HydrophobicContact CE3-CZ3 3.78Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CH2 4.47Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; W157-E176 HydrophobicContact CZ2-CB 4.19Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å
158	T	98.7	Very high	98.3	Very high	77 Å²	77	50.5 Å²	50.5	47%	0.472	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.7	166.5	-66.8	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.29Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.18Å; N151-T158 PolarHBondContact ND2-OG1 3.21Å; N151-T158 WeakPolarHBondContact OD1-CB 3.14Å; N151-T158 PolarHBondContact OD1-OG1 2.98Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.7 Å²	57.7	19%	0.19	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.6	173.9	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	61.8 Å²	61.8	50%	0.496	31%	0.314	S	S	.	.	S	Bend	trans	-73.4	-30.8	-177.6	0	0	0	0	0	113.1	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.35Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 3.34Å
161	D	98.4	Very high	98.3	Very high	57 Å²	57	64.1 Å²	64.1	31%	0.305	32%	0.322	S	S	.	.	S	Bend	trans	-152.7	-174.4	-179.1	67.5	27.3	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.29Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 PolarHBondContact OH-OD1 2.9Å; Y109-D161 PolarHBondContact OH-OD2 3.49Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.95Å; D161-A163 WeakPolarHBondContact OD1-CA 3.41Å; D161-A163 WeakPolarHBondContact OD1-CB 3.5Å; D161-A163 PolarHBondContact OD1-N 3.25Å; D161-A164 PolarHBondContact O-N 3.01Å; D161-A164 PolarHBondContact OD1-N 2.81Å; D161-Q165 WeakPolarHBondContact O-CG 3.47Å; D161-Q165 PolarHBondContact O-N 3.41Å
162	T	98.2	Very high	98.3	Very high	112 Å²	112	66.6 Å²	66.6	69%	0.687	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.8	-178.7	51.7	0	0	0	0	114
163	A	98	Very high	98.3	Very high	5 Å²	5	64.3 Å²	64.3	4%	0.041	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-43.8	175.1	0	0	0	0	0	109.8	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.14Å; Y109-A163 HydrophobicContact CD2-CB 4.47Å; Y109-A163 HydrophobicContact CE1-CB 3.58Å; Y109-A163 HydrophobicContact CE2-CB 3.95Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 2.95Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.95Å; D161-A163 WeakPolarHBondContact OD1-CA 3.41Å; D161-A163 WeakPolarHBondContact OD1-CB 3.5Å; D161-A163 PolarHBondContact OD1-N 3.25Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.1Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.49Å; A163-I166 PolarHBondContact O-N 3.48Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-34.5	174.2	0	0	0	0	0	113.4	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.32Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.01Å; D161-A164 PolarHBondContact OD1-N 2.81Å; A164-I166 PolarHBondContact O-N 2.63Å; A164-T167 WeakPolarHBondContact O-CB 3.36Å; A164-T167 PolarHBondContact O-N 2.71Å; A164-Q168 PolarHBondContact O-N 3.49Å
165	Q	98.7	Very high	98.3	Very high	74 Å²	74	70 Å²	70	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-27	173.7	-73.4	174.7	11.9	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.47Å; D161-Q165 PolarHBondContact O-N 3.41Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.1Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.27Å; Q165-R169 PolarHBondContact O-N 3.25Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.3	Very high	98.3	Very high	60 Å²	60	64.3 Å²	64.3	31%	0.308	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-44.9	174.4	-56.8	171.6	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.14Å; Y108-I166 HydrophobicContact CD2-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CD1 4.4Å; Y108-I166 HydrophobicContact CE1-CG2 4.15Å; Y108-I166 HydrophobicContact CE2-CB 4.2Å; Y108-I166 HydrophobicContact CE2-CG2 4.08Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.49Å; A163-I166 PolarHBondContact O-N 3.48Å; A164-I166 PolarHBondContact O-N 2.63Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 2.92Å
167	T	98.3	Very high	98.3	Very high	18 Å²	18	62.8 Å²	62.8	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-45.7	175	-68.4	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.25Å; Y147-T167 PolarHBondContact OH-OG1 2.86Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; A164-T167 WeakPolarHBondContact O-CB 3.36Å; A164-T167 PolarHBondContact O-N 2.71Å; T167-R169 PolarHBondContact O-N 3.48Å; T167-K170 WeakPolarHBondContact O-CB 3.29Å; T167-K170 PolarHBondContact O-N 2.98Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.13Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.32Å; T167-W171 HydrophobicContact CG2-CZ2 3.86Å; T167-W171 HydrophobicContact CG2-CZ3 4.43Å; T167-W171 PolarHBondContact O-N 3.12Å
168	Q	98.6	Very high	98.3	Very high	40 Å²	40	67.9 Å²	67.9	19%	0.187	36%	0.357	C	S	.	.	H	α-helix	trans	-51.3	-52.6	177.6	176.2	174.4	12.3	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.92Å; W157-Q168 HydrophobicContact CB-CG 4.14Å; W157-Q168 PolarHBondContact O-NE2 2.93Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 3.49Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.82Å; Q168-W171 PolarHBondContact O-N 2.87Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.19Å; Q168-E172 PolarHBondContact NE2-OE1 3.31Å; Q168-E172 WeakPolarHBondContact O-CB 3.39Å; Q168-E172 WeakPolarHBondContact O-CG 3.3Å; Q168-E172 PolarHBondContact O-N 2.84Å
169	R	98.6	Very high	98.3	Very high	154 Å²	154	70.1 Å²	70.1	58%	0.581	36%	0.362	S	S	*	.	H	α-helix	trans	-60.6	-36.7	179.7	-68.2	171.2	-163.7	150.2	8.9	112.7	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.27Å; Q165-R169 PolarHBondContact O-N 3.25Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.48Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 3.05Å
170	K	98.1	Very high	98.3	Very high	115 Å²	115	71.3 Å²	71.3	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-44.9	176.6	-72.4	176.5	175.9	-175.7	0	111.1	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.43Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 2.92Å; T167-K170 WeakPolarHBondContact O-CB 3.29Å; T167-K170 PolarHBondContact O-N 2.98Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.82Å; K170-A173 PolarHBondContact O-N 2.97Å; K170-A174 WeakPolarHBondContact O-CB 3.33Å; K170-A174 PolarHBondContact O-N 2.82Å
171	W	98.2	Very high	98.2	Very high	63 Å²	63	72 Å²	72	24%	0.239	35%	0.352	C	S	.	.	H	α-helix	trans	-70	-37.2	-179.4	-73.7	2.5	0	0	0	112.7	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.93Å; I148-W171 HydrophobicContact CD1-CZ3 4.17Å; I148-W171 HydrophobicContact CG2-CE3 4.46Å; I148-W171 HydrophobicContact CG2-CH2 3.96Å; I148-W171 HydrophobicContact CG2-CZ3 3.66Å; W157-W171 AromaticContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CZ3 4.38Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.74Å; W157-W171 HydrophobicContact CE3-CE3 3.74Å; W157-W171 AromaticContact CE3-CZ3 3.78Å; W157-W171 HydrophobicContact CE3-CZ3 3.78Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CH2 4.47Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.13Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.32Å; T167-W171 HydrophobicContact CG2-CZ2 3.86Å; T167-W171 HydrophobicContact CG2-CZ3 4.43Å; T167-W171 PolarHBondContact O-N 3.12Å; Q168-W171 PolarHBondContact O-N 2.87Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; W171-A174 CarbonylContact O-C 3.52Å; W171-A174 PolarHBondContact O-N 3.28Å; W171-R175 WeakPolarHBondContact O-CA 3.4Å; W171-R175 PolarHBondContact O-N 3.43Å; W171-E176 HydrophobicContact CB-CB 3.98Å; W171-E176 HydrophobicContact CB-CG 3.84Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.17Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 2.62Å
172	E	98.4	Very high	98.3	Very high	97 Å²	97	72.4 Å²	72.4	45%	0.453	36%	0.362	S	S	.	.	H	α-helix	trans	-63.6	-45.7	171.9	-73.2	170.2	173.1	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.19Å; Q168-E172 PolarHBondContact NE2-OE1 3.31Å; Q168-E172 WeakPolarHBondContact O-CB 3.39Å; Q168-E172 WeakPolarHBondContact O-CG 3.3Å; Q168-E172 PolarHBondContact O-N 2.84Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.11Å; E172-R175 PolarHBondContact O-N 3Å; E172-R175 VanDerWaalsContact O-N 3.15Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	69.3 Å²	69.3	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-63.2	-34.9	176.6	0	0	0	0	0	112.8	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 3.05Å; K170-A173 PolarHBondContact O-N 2.97Å
174	A	98	Very high	98.3	Very high	50 Å²	50	69.1 Å²	69.1	41%	0.413	34%	0.337	S	S	.	.	H	α-helix	trans	-86.4	-3.5	176.9	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.33Å; K170-A174 PolarHBondContact O-N 2.82Å; W171-A174 CarbonylContact O-C 3.52Å; W171-A174 PolarHBondContact O-N 3.28Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.11Å; A174-E176 VanDerWaalsContact C-N 3.28Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 3.15Å
175	R	97.8	Very high	98.3	Very high	157 Å²	157	73.4 Å²	73.4	59%	0.592	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	39.3	-176.5	-56.1	179.5	173	-150.5	3.8	113.8	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.4Å; W171-R175 PolarHBondContact O-N 3.43Å; E172-R175 PolarHBondContact O-N 3Å; E172-R175 VanDerWaalsContact O-N 3.15Å; R175-A177 PolarHBondContact O-N 2.84Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 IonicContact CZ-OE1 2.63Å; R175-E178 IonicContact NH1-OE1 3.93Å; R175-E178 PolarHBondContact NH1-OE1 2.63Å; R175-E178 IonicContact NH1-OE2 3.22Å; R175-E178 WeakPolarHBondContact O-CB 3.4Å; R175-E178 PolarHBondContact O-N 3.19Å
176	E	97.9	Very high	98.3	Very high	51 Å²	51	70.9 Å²	70.9	24%	0.238	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-33.2	-178.3	-65.9	-70.1	178.4	0	0	112.5	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.19Å; W171-E176 HydrophobicContact CB-CB 3.98Å; W171-E176 HydrophobicContact CB-CG 3.84Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.17Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 2.62Å; A174-E176 VanDerWaalsContact C-N 3.28Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 3.15Å; E176-E178 PolarHBondContact O-N 2.88Å; E176-Q179 PolarHBondContact O-N 2.84Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; E176-W180 PolarHBondContact O-N 2.97Å
177	A	98.4	Very high	98.3	Very high	8 Å²	8	70.6 Å²	70.6	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-59.7	-33.7	177.1	0	0	0	0	0	112.6	L150 W157 R175 Q179 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.95Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; R175-A177 PolarHBondContact O-N 2.84Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-W180 PolarHBondContact O-N 2.82Å; A177-R181 WeakPolarHBondContact O-CB 3.39Å; A177-R181 PolarHBondContact O-N 2.91Å
178	E	98.1	Very high	98.3	Very high	116 Å²	116	69.8 Å²	69.8	54%	0.542	35%	0.347	S	S	.	.	H	α-helix	trans	-66.7	-38.2	177.4	-64	177.9	-175.4	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 IonicContact CZ-OE1 2.63Å; R175-E178 IonicContact NH1-OE1 3.93Å; R175-E178 PolarHBondContact NH1-OE1 2.63Å; R175-E178 IonicContact NH1-OE2 3.22Å; R175-E178 WeakPolarHBondContact O-CB 3.4Å; R175-E178 PolarHBondContact O-N 3.19Å; E176-E178 PolarHBondContact O-N 2.88Å; E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.13Å; E178-A182 VanDerWaalsContact O-N 3.08Å
179	Q	97.7	Very high	98.3	Very high	124 Å²	124	68.2 Å²	68.2	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-68.6	-45.7	177.1	-59.7	-176.4	36.4	0	0	111.2	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.84Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; Q179-A182 PolarHBondContact O-N 2.98Å; Q179-Y183 PolarHBondContact O-N 2.76Å
180	W	98.2	Very high	98.2	Very high	48 Å²	48	66.9 Å²	66.9	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-43.7	177.1	-82.2	108.4	0	0	0	112.2	W121 Y123 D138 L150 E176 A177 A182 Y183 L184	W121-W180 AromaticContact CH2-CH2 3.32Å; W121-W180 HydrophobicContact CH2-CH2 3.32Å; W121-W180 AromaticContact CH2-CZ2 3.35Å; W121-W180 HydrophobicContact CH2-CZ2 3.35Å; W121-W180 AromaticContact CZ2-CH2 3.18Å; W121-W180 HydrophobicContact CZ2-CH2 3.18Å; W121-W180 AromaticContact CZ2-CZ2 3.14Å; W121-W180 HydrophobicContact CZ2-CZ2 3.14Å; W121-W180 HydrophobicContact CZ2-CZ3 4.12Å; Y123-W180 HydrophobicContact CD2-CZ3 4.03Å; Y123-W180 HydrophobicContact CG-CH2 4.35Å; Y123-W180 HydrophobicContact CG-CZ3 4.1Å; D138-W180 HydrophobicContact CB-CD2 4.44Å; D138-W180 VanDerWaalsContact OD2-CD1 3.28Å; D138-W180 PolarHBondContact OD2-NE1 2.82Å; D138-W180 VanDerWaalsContact OD2-NE1 3.11Å; L150-W180 HydrophobicContact CD2-CB 4Å; E176-W180 PolarHBondContact O-N 2.97Å; A177-W180 PolarHBondContact O-N 2.82Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.07Å; W180-Y183 AromaticContact CE3-CD1 3.93Å; W180-Y183 HydrophobicContact CE3-CD1 3.93Å; W180-Y183 AromaticContact CZ3-CD1 3.66Å; W180-Y183 HydrophobicContact CZ3-CD1 3.66Å; W180-Y183 HydrophobicContact CZ3-CE1 4.06Å; W180-Y183 HydrophobicContact CZ3-CG 4.39Å; W180-Y183 PolarHBondContact O-N 3.02Å; W180-L184 VanDerWaalsContact O-CB 3.32Å; W180-L184 WeakPolarHBondContact O-CB 3.31Å; W180-L184 WeakPolarHBondContact O-CG 3.36Å; W180-L184 PolarHBondContact O-N 3.41Å
181	R	98.4	Very high	98.2	Very high	76 Å²	76	63.6 Å²	63.6	29%	0.287	33%	0.325	S	S	.	.	H	α-helix	trans	-57.8	-45.7	174.4	-175.1	172.9	179.8	-141.3	-14.7	112	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.91Å; L154-R181 HydrophobicContact CD1-CG 4.24Å; R155-R181 VanDerWaalsContact NH2-NH1 3.18Å; A177-R181 WeakPolarHBondContact O-CB 3.39Å; A177-R181 PolarHBondContact O-N 2.91Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 3.47Å; R181-L184 PolarHBondContact O-N 2.99Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.47Å; R181-E185 IonicContact CZ-OE2 2.67Å; R181-E185 IonicContact NE-OE1 3.64Å; R181-E185 PolarHBondContact NE-OE1 3.44Å; R181-E185 IonicContact NE-OE2 2.71Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 3.31Å; R181-E185 PolarHBondContact NH2-OE1 3.17Å; R181-E185 IonicContact NH2-OE2 3.79Å; R181-E185 VanDerWaalsContact O-CB 3.32Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 WeakPolarHBondContact O-CG 3.2Å; R181-E185 PolarHBondContact O-N 2.79Å
182	A	98.5	Very high	98.3	Very high	64 Å²	64	60.6 Å²	60.6	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-40.4	177.6	0	0	0	0	0	112.6	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.13Å; E178-A182 VanDerWaalsContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 2.98Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.07Å; A182-G186 PolarHBondContact O-N 2.8Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	98.4	Very high	98.2	Very high	48 Å²	48	61.8 Å²	61.8	19%	0.188	31%	0.314	C	S	.	.	I	π-helix	trans	-65	-47.8	174.3	171	-99.9	0	0	0	112.1	Y123 Q179 W180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.84Å; Y123-Y183 HydrophobicContact CE2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å; Q179-Y183 PolarHBondContact O-N 2.76Å; W180-Y183 AromaticContact CE3-CD1 3.93Å; W180-Y183 HydrophobicContact CE3-CD1 3.93Å; W180-Y183 AromaticContact CZ3-CD1 3.66Å; W180-Y183 HydrophobicContact CZ3-CD1 3.66Å; W180-Y183 HydrophobicContact CZ3-CE1 4.06Å; W180-Y183 HydrophobicContact CZ3-CG 4.39Å; W180-Y183 PolarHBondContact O-N 3.02Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 3.47Å; Y183-G186 CarbonylContact O-C 3.42Å; Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.83Å; Y183-T187 PolarHBondContact O-N 2.93Å; Y183-T187 VanDerWaalsContact O-N 3.1Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.22Å; Y183-C188 PolarHBondContact O-N 2.82Å
184	L	98.6	Very high	98.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-69.9	-41.3	-174.7	-68.9	170.1	0	0	0	112.4	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.36Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; W180-L184 VanDerWaalsContact O-CB 3.32Å; W180-L184 WeakPolarHBondContact O-CB 3.31Å; W180-L184 WeakPolarHBondContact O-CG 3.36Å; W180-L184 PolarHBondContact O-N 3.41Å; R181-L184 PolarHBondContact O-N 2.99Å; L184-V189 WeakPolarHBondContact O-CG2 3.39Å
185	E	98.3	Very high	98.1	Very high	90 Å²	90	61 Å²	61	42%	0.421	28%	0.281	S	S	.	.	I	π-helix	trans	-76.3	-25.8	177.2	-69	-179.7	170.2	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L154-E185 HydrophobicContact CD1-CG 4.3Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.47Å; R181-E185 IonicContact CZ-OE2 2.67Å; R181-E185 IonicContact NE-OE1 3.64Å; R181-E185 PolarHBondContact NE-OE1 3.44Å; R181-E185 IonicContact NE-OE2 2.71Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 3.31Å; R181-E185 PolarHBondContact NH2-OE1 3.17Å; R181-E185 IonicContact NH2-OE2 3.79Å; R181-E185 VanDerWaalsContact O-CB 3.32Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 WeakPolarHBondContact O-CG 3.2Å; R181-E185 PolarHBondContact O-N 2.79Å
186	G	98.2	Very high	98	Very high	22 Å²	22	54.1 Å²	54.1	23%	0.227	26%	0.256	C	S	.	.	I	π-helix	trans	-109.4	-91.2	-177	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.8Å; A182-G186 VanDerWaalsContact O-N 3.12Å; Y183-G186 CarbonylContact O-C 3.42Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.26Å; G186-V189 PolarHBondContact O-N 2.88Å; G186-V189 VanDerWaalsContact O-N 3.12Å; G186-E190 WeakPolarHBondContact O-CG 3.48Å; G186-E190 PolarHBondContact O-N 3.09Å
187	T	98.1	Very high	97.9	Very high	54 Å²	54	57.5 Å²	57.5	33%	0.331	27%	0.272	S	S	.	.	I	π-helix	trans	-54.5	-42.2	-169.8	-57.8	0	0	0	0	113.2	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.83Å; Y183-T187 PolarHBondContact O-N 2.93Å; Y183-T187 VanDerWaalsContact O-N 3.1Å; T187-E190 PolarHBondContact O-N 3.33Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 PolarHBondContact O-N 3.11Å
188	C	98.6	Very high	97.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-59.9	-50.6	179	-171.8	0	0	0	0	111.4	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.45Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.42Å; C125-C188 PolarHBondContact N-SG 3.46Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.3Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.27Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.22Å; Y183-C188 PolarHBondContact O-N 2.82Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.26Å; C188-E190 PolarHBondContact O-N 3.21Å; C188-W191 PolarHBondContact O-N 3.26Å; C188-L192 WeakPolarHBondContact O-CB 3.4Å; C188-L192 PolarHBondContact O-N 2.88Å
189	V	98.5	Very high	97.7	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-42.2	179	173.3	0	0	0	0	111.4	V127 G131 L133 L184 G186 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 4.03Å; V127-V189 HydrophobicContact CG1-CG2 3.91Å; G131-V189 WeakPolarHBondContact O-CG1 3.44Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.93Å; L184-V189 WeakPolarHBondContact O-CG2 3.39Å; G186-V189 PolarHBondContact O-N 2.88Å; G186-V189 VanDerWaalsContact O-N 3.12Å; V189-L192 PolarHBondContact O-N 2.88Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.27Å; V189-R193 PolarHBondContact O-N 3.17Å
190	E	98.3	Very high	97.5	Very high	127 Å²	127	53.4 Å²	53.4	59%	0.593	25%	0.253	S	S	*	.	H	α-helix	trans	-61	-46.4	177.8	-72.4	175	174.5	0	0	112.3	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.48Å; G186-E190 PolarHBondContact O-N 3.09Å; T187-E190 PolarHBondContact O-N 3.33Å; C188-E190 PolarHBondContact O-N 3.21Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	98.2	Very high	97.1	Very high	46 Å²	46	59.7 Å²	59.7	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-68.3	-41.5	177.7	-81.6	102.7	0	0	0	112.2	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.03Å; M29-W191 HydrophobicContact SD-CB 4.39Å; Y83-W191 AromaticContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CZ2 4.34Å; Y83-W191 AromaticContact CD2-CZ3 3.77Å; Y83-W191 HydrophobicContact CD2-CZ3 3.77Å; Y83-W191 HydrophobicContact CE2-CE3 4.26Å; Y83-W191 AromaticContact CE2-CH2 3.94Å; Y83-W191 HydrophobicContact CE2-CH2 3.94Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 PolarHBondContact O-N 3.11Å; C188-W191 PolarHBondContact O-N 3.26Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.38Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.29Å; W191-Y195 HydrophobicContact CB-CE2 4.12Å; W191-Y195 HydrophobicContact CE3-CD1 4.49Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.24Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 2.73Å
192	L	98.3	Very high	96.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-46.8	176.2	174.9	52.3	0	0	0	111	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.39Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.14Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.37Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.4Å; C188-L192 PolarHBondContact O-N 2.88Å; V189-L192 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.23Å; L192-Y195 PolarHBondContact O-N 2.92Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 3.97Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3Å
193	R	96.9	Very high	96.3	Very high	121 Å²	121	55.4 Å²	55.4	46%	0.457	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-43	175.6	-71.7	174.8	-175.9	-179	1.5	112.5	G131 V189 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.25Å; G131-R193 VanDerWaalsContact O-CZ 3.22Å; G131-R193 PolarHBondContact O-NE 2.89Å; G131-R193 PolarHBondContact O-NH2 3.32Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.27Å; V189-R193 PolarHBondContact O-N 3.17Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.38Å; R193-Y195 PolarHBondContact O-N 3.28Å; R193-L196 PolarHBondContact O-N 3.11Å; R193-E197 PolarHBondContact O-N 3.31Å
194	R	97.2	Very high	95.8	Very high	120 Å²	120	57.4 Å²	57.4	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-44	176.1	177.5	177.1	173.6	130.8	-0.6	111.5	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.25Å; E79-R194 IonicContact OE1-CZ 3.56Å; E79-R194 VanDerWaalsContact OE1-CZ 3.3Å; E79-R194 IonicContact OE1-NE 3.66Å; E79-R194 PolarHBondContact OE1-NE 2.9Å; E79-R194 IonicContact OE1-NH2 3.49Å; E79-R194 PolarHBondContact OE1-NH2 3.36Å; E79-R194 IonicContact OE2-CZ 3.83Å; E79-R194 IonicContact OE2-NE 2.78Å; E79-R194 IonicContact OE2-NH2 3.91Å; E79-R194 PolarHBondContact OE2-NH2 3.02Å; E190-R194 PolarHBondContact O-N 3.03Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3.29Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.23Å; R194-E197 PolarHBondContact O-N 2.85Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.01Å; R194-N198 PolarHBondContact O-OD1 3.4Å
195	Y	97.4	Very high	95.3	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-68	-38.9	178.7	-62.1	-29.9	0	0	0	112.7	M29 V52 F57 W75 V76 Y83 W191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.8Å; M29-Y195 HydrophobicContact SD-CE2 3.62Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.49Å; F57-Y195 AromaticContact CE2-CE2 3.81Å; F57-Y195 HydrophobicContact CE2-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.42Å; F57-Y195 AromaticContact CZ-CE2 3.85Å; F57-Y195 HydrophobicContact CZ-CE2 3.85Å; W75-Y195 HydrophobicContact CE3-CD1 4.29Å; W75-Y195 HydrophobicContact CE3-CG 4.46Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.17Å; W75-Y195 AromaticContact CZ3-CD1 3.66Å; W75-Y195 HydrophobicContact CZ3-CD1 3.66Å; W75-Y195 HydrophobicContact CZ3-CD2 4.25Å; W75-Y195 HydrophobicContact CZ3-CE1 4.39Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; V76-Y195 HydrophobicContact CG2-CE1 4.44Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.39Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å; W191-Y195 HydrophobicContact CB-CE2 4.12Å; W191-Y195 HydrophobicContact CE3-CD1 4.49Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.31Å; W191-Y195 WeakPolarHBondContact O-CD2 3.24Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 2.73Å; L192-Y195 PolarHBondContact O-N 2.92Å; R193-Y195 PolarHBondContact O-N 3.28Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 2.98Å; Y195-N198 PolarHBondContact O-N 2.77Å; Y195-G199 WeakPolarHBondContact O-CA 3.44Å; Y195-G199 PolarHBondContact O-N 2.68Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å
196	L	96.1	Very high	95	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-36	174.5	-70.8	169.6	0	0	0	112.3	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.32Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 3.97Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3Å; R193-L196 PolarHBondContact O-N 3.11Å; L196-K200 WeakPolarHBondContact O-CA 3.43Å; L196-K200 WeakPolarHBondContact O-CB 3.37Å; L196-K200 PolarHBondContact O-N 2.82Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 3.36Å
197	E	95.7	Very high	94.8	Very high	123 Å²	123	61.2 Å²	61.2	58%	0.575	29%	0.286	S	S	*	.	H	α-helix	trans	-71.9	-47.8	174.5	-172	59.9	-152	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.31Å; R194-E197 PolarHBondContact O-N 2.85Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 2.98Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.47Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 2.81Å
198	N	96.4	Very high	94.7	Very high	49 Å²	49	64 Å²	64	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-60.8	-40.2	178.9	-70.3	-5.3	0	0	0	112.7	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.4Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.42Å; Q78-N198 PolarHBondContact NE2-OD1 3.18Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å; E79-N198 PolarHBondContact OE1-ND2 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.01Å; R194-N198 PolarHBondContact O-OD1 3.4Å; Y195-N198 PolarHBondContact O-N 2.77Å
199	G	95.3	Very high	94.6	Very high	4 Å²	4	64.2 Å²	64.2	4%	0.041	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	20.6	-175.9	0	0	0	0	0	113.5	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.44Å; Y195-G199 PolarHBondContact O-N 2.68Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.47Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.15Å; G199-E201 VanDerWaalsContact O-N 3.17Å; G199-T202 CarbonylContact O-C 3.54Å; G199-T202 PolarHBondContact O-N 3.28Å; G199-T202 PolarHBondContact O-OG1 3.44Å; G199-L203 WeakPolarHBondContact O-CB 3.26Å; G199-L203 PolarHBondContact O-N 3.03Å
200	K	93.1	Very high	94.6	Very high	109 Å²	109	70.6 Å²	70.6	47%	0.474	32%	0.324	S	S	.	.	H	α-helix	trans	-50.3	-43.7	-172	-177.6	172.8	-174.8	173.1	0	113.8	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.43Å; L196-K200 WeakPolarHBondContact O-CB 3.37Å; L196-K200 PolarHBondContact O-N 2.82Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 2.81Å; K200-T202 PolarHBondContact O-N 2.83Å; K200-Q204 HydrophobicContact CG-CB 4.49Å; K200-Q204 WeakPolarHBondContact O-CB 3.37Å; K200-Q204 PolarHBondContact O-N 3.24Å
201	E	90.2	Very high	94.6	Very high	179 Å²	179	66.1 Å²	66.1	84%	0.836	31%	0.306	S	S	*	.	H	α-helix	trans	-64	-26.8	179.8	-62.9	-174.5	166.7	0	0	113.2	G199 R205	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.15Å; G199-E201 VanDerWaalsContact O-N 3.17Å; E201-R205 WeakPolarHBondContact O-CD 3.38Å
202	T	89.6	Confident	94.5	Very high	47 Å²	47	67.9 Å²	67.9	29%	0.288	32%	0.315	S	S	.	.	H	α-helix	trans	-104.9	-33.1	-176.1	50.9	0	0	0	0	114.4	G199 K200 R205	G199-T202 CarbonylContact O-C 3.54Å; G199-T202 PolarHBondContact O-N 3.28Å; G199-T202 PolarHBondContact O-OG1 3.44Å; K200-T202 PolarHBondContact O-N 2.83Å; T202-R205 WeakPolarHBondContact O-CG 2.97Å; T202-R205 PolarHBondContact O-NE 2.7Å; T202-R205 VanDerWaalsContact O-NE 3.16Å
203	L	90.8	Very high	94.5	Very high	4 Å²	4	69 Å²	69	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-96.2	-29.7	-172.7	-64.2	172.6	0	0	0	112.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.14Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 WeakPolarHBondContact O-CB 3.26Å; G199-L203 PolarHBondContact O-N 3.03Å
204	Q	88.2	Confident	94.5	Very high	90 Å²	90	64.7 Å²	64.7	42%	0.421	31%	0.309	S	S	.	.	S	Bend	trans	-102.5	22.4	178.4	-57	179.4	33.5	0	0	111.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.36Å; K200-Q204 HydrophobicContact CG-CB 4.49Å; K200-Q204 WeakPolarHBondContact O-CB 3.37Å; K200-Q204 PolarHBondContact O-N 3.24Å
205	R	88.8	Confident	94.5	Very high	85 Å²	85	61.4 Å²	61.4	32%	0.321	30%	0.299	S	S	.	.			trans	-97.9	146.4	170.7	73.1	-174.9	171.5	152.9	12	108.9	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.38Å; T202-R205 WeakPolarHBondContact O-CG 2.97Å; T202-R205 PolarHBondContact O-NE 2.7Å; T202-R205 VanDerWaalsContact O-NE 3.16Å; R205-E207 IonicContact CZ-OE1 3.15Å; R205-E207 IonicContact NE-OE1 2.76Å; R205-E207 IonicContact NH1-OE1 3.74Å; R205-E207 PolarHBondContact NH1-OE1 2.88Å; R205-E207 IonicContact NH2-OE1 3.7Å; R205-E207 PolarHBondContact NH2-OE1 2.85Å; R205-Y233 HydrophobicContact CG-CD1 4.37Å; R205-Y233 WeakPolarHBondContact O-CD1 3.02Å
206	A	91.7	Very high	94.4	Very high	43 Å²	43	65 Å²	65	36%	0.355	32%	0.316	S	S	.	.			trans	-117.7	121	165.2	0	0	0	0	0	108.8	Y233 E288	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.32Å; A206-Y233 WeakPolarHBondContact CA-O 3.38Å; A206-E288 HydrophobicContact CB-CG 4.09Å
207	E	93.9	Very high	94.3	Very high	63 Å²	63	69.2 Å²	69.2	29%	0.294	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-95.2	120.3	173.8	-66.7	-169.1	-156.3	0	0	108.6	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 3.15Å; R205-E207 IonicContact NE-OE1 2.76Å; R205-E207 IonicContact NH1-OE1 3.74Å; R205-E207 PolarHBondContact NH1-OE1 2.88Å; R205-E207 IonicContact NH2-OE1 3.7Å; R205-E207 PolarHBondContact NH2-OE1 2.85Å; E207-F232 VanDerWaalsContact O-CA 3.25Å; E207-F232 WeakPolarHBondContact O-CA 3.17Å; E207-F232 WeakPolarHBondContact O-CB 3.47Å; E207-Y233 PolarHBondContact N-O 3.39Å; E207-Y233 PolarHBondContact O-N 2.9Å; E207-Y233 VanDerWaalsContact O-N 3.14Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.21Å; E207-H287 PolarHBondContact O-CE1 2.88Å
208	H	95.1	Very high	94	Very high	113 Å²	113	67.8 Å²	67.8	52%	0.523	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-70.8	145.1	-178.6	55.2	-99.7	0	0	0	111.7	K210 L290	H208-K210 PolarHBondContact O-N 3.16Å; H208-L290 HydrophobicContact CB-CD2 3.94Å
209	P	97.6	Very high	93.8	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.032	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66.6	132.2	177.6	27.9	-34.9	0	0	0	111.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.87Å; P209-T211 HydrophobicContact CG-CG2 4.08Å; P209-T211 PolarHBondContact O-N 3.28Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.97Å; P209-F232 HydrophobicContact CB-CG 4.19Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.15Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.45Å; P209-L290 HydrophobicContact CG-CG 4.25Å
210	K	97.9	Very high	93.5	Very high	141 Å²	141	74.9 Å²	74.9	61%	0.613	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	108.3	164	-65.6	171	-173.1	163.7	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 3.16Å; K210-L230 HydrophobicContact CB-CB 4.49Å; K210-L230 WeakPolarHBondContact CB-O 3.25Å; K210-L230 PolarHBondContact N-O 2.88Å; K210-L230 PolarHBondContact O-N 2.61Å
211	T	97.9	Very high	93.5	Very high	33 Å²	33	76.5 Å²	76.5	20%	0.202	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.6	-171.7	59.3	0	0	0	0	113.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.87Å; P209-T211 HydrophobicContact CG-CG2 4.08Å; P209-T211 PolarHBondContact O-N 3.28Å; T211-W228 WeakPolarHBondContact CA-O 3.5Å; T211-A229 HydrophobicContact CG2-CB 4.31Å; T211-V285 HydrophobicContact CG2-CB 4.43Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.37Å; T211-L296 VanDerWaalsContact CB-CD1 3.41Å; T211-L296 HydrophobicContact CG2-CD1 4.15Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.43Å
212	H	97.2	Very high	93.8	Very high	82 Å²	82	72.4 Å²	72.4	38%	0.38	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	159.5	171.9	62.7	-75.2	0	0	0	110.8	W228	H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.17Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.79Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.05Å
213	V	98.1	Very high	94.1	Very high	23 Å²	23	70.2 Å²	70.2	14%	0.139	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.3	176.5	-179.1	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; V213-R226 CarbonylContact C-O 3.57Å; V213-R226 WeakPolarHBondContact CA-O 3.46Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; V213-L296 HydrophobicContact CG2-CB 3.91Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.8	Very high	94.4	Very high	31 Å²	31	71.1 Å²	71.1	19%	0.19	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.3	174.2	51.1	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 3.45Å; T214-L225 WeakPolarHBondContact O-CA 3.48Å; T214-R226 PolarHBondContact N-O 3.19Å; T214-R226 PolarHBondContact O-N 2.72Å; T214-R226 WeakPolarHBondContact OG1-CB 3.47Å; T214-R226 PolarHBondContact OG1-O 2.94Å; T214-R226 VanDerWaalsContact OG1-O 3.1Å; T214-W228 PolarHBondContact OG1-NE1 2.76Å; T214-W228 VanDerWaalsContact OG1-NE1 3.12Å
215	H	96.1	Very high	94.9	Very high	52 Å²	52	66.8 Å²	66.8	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.7	179.4	169.6	-93.8	0	0	0	109.7	A223 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.27Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.79Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.97Å
216	H	95	Very high	95.3	Very high	77 Å²	77	65.3 Å²	65.3	36%	0.356	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	104	-178.4	-56.8	-46.3	0	0	0	109.5	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 3.45Å; H216-V218 PolarHBondContact O-N 3.12Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.22Å; H216-T224 PolarHBondContact N-O 3.02Å; H216-T224 PolarHBondContact O-N 2.88Å; H216-R226 PolarHBondContact CD2-NH1 2.91Å; H216-R226 PolarHBondContact NE2-NH1 2.75Å
217	P	93.9	Very high	95.6	Very high	100 Å²	100	63.2 Å²	63.2	65%	0.649	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	131.3	173.4	-20.6	30.8	0	0	0	110.7
218	V	91.3	Very high	95.9	Very high	93 Å²	93	62.5 Å²	62.5	56%	0.564	32%	0.318	S	S	*	.			trans	-104.5	-41.2	175.8	-179.1	0	0	0	0	109.9	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.12Å; V218-E222 PolarHBondContact N-O 2.77Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.37Å
219	S	92	Very high	96	Very high	52 Å²	52	57.1 Å²	57.1	36%	0.364	29%	0.293	S	S	.	.	S	Bend	trans	-147.5	-178.9	175.3	72.3	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.26Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.99Å; S219-E222 PolarHBondContact N-O 2.8Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.02Å
220	D	89.3	Confident	96	Very high	150 Å²	150	59.5 Å²	59.5	80%	0.802	31%	0.305	S	S	*	.	S	Bend	trans	-66	-9.9	172.6	-65.4	-22.3	0	0	0	113.3
221	H	92.8	Very high	96	Very high	143 Å²	143	53.6 Å²	53.6	66%	0.662	29%	0.285	S	S	*	.	S	Bend	trans	-116.3	-15.6	-175.6	-55.7	-44.2	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.26Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.99Å; H221-P274 CarbonylContact O-C 3.52Å; H221-P274 WeakPolarHBondContact O-CA 3.24Å; H221-S275 PolarHBondContact O-N 3.04Å; H221-S275 PolarHBondContact O-OG 3.31Å
222	E	95.2	Very high	96	Very high	94 Å²	94	52 Å²	52	44%	0.439	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	144.5	-170.8	-66.2	179.6	168.1	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.77Å; S219-E222 PolarHBondContact N-O 2.8Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.02Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.44Å; E222-S275 PolarHBondContact N-OG 3.23Å
223	A	95.9	Very high	95.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.3	171.2	0	0	0	0	0	110.7	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.27Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.22Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.47Å; A223-V273 WeakPolarHBondContact O-CG2 3.5Å; A223-V273 PolarHBondContact O-N 2.83Å
224	T	97.6	Very high	95.7	Very high	22 Å²	22	48 Å²	48	14%	0.135	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.9	169.4	-55.3	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.02Å; H216-T224 PolarHBondContact O-N 2.88Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.37Å; T224-A270 HydrophobicContact CG2-CB 3.92Å; T224-V271 WeakPolarHBondContact CA-O 3.39Å
225	L	98.1	Very high	95.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.9	164.4	-63.7	-176.9	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; T214-L225 WeakPolarHBondContact O-CA 3.48Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.49Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.37Å; L225-V271 PolarHBondContact O-N 2.84Å; L225-V273 HydrophobicContact CD1-CG1 4.05Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.21Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.3	Very high	95.7	Very high	53 Å²	53	51.8 Å²	51.8	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.7	176.1	179.9	-177.4	-61.9	117.4	-0	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.57Å; V213-R226 WeakPolarHBondContact CA-O 3.46Å; T214-R226 PolarHBondContact N-O 3.19Å; T214-R226 PolarHBondContact O-N 2.72Å; T214-R226 WeakPolarHBondContact OG1-CB 3.47Å; T214-R226 PolarHBondContact OG1-O 2.94Å; T214-R226 VanDerWaalsContact OG1-O 3.1Å; H216-R226 PolarHBondContact CD2-NH1 2.91Å; H216-R226 PolarHBondContact NE2-NH1 2.75Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.28Å; R226-A270 HydrophobicContact CB-CB 3.99Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.4	Very high	95.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.6	175.4	-173.6	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.35Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; C227-A269 PolarHBondContact N-O 2.97Å; C227-A269 PolarHBondContact O-N 2.64Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.45Å
228	W	98.4	Very high	95.9	Very high	48 Å²	48	46.7 Å²	46.7	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.1	180	-69.6	90.4	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.5Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.17Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 2.79Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.05Å; T214-W228 PolarHBondContact OG1-NE1 2.76Å; T214-W228 VanDerWaalsContact OG1-NE1 3.12Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; W228-L230 HydrophobicContact CE3-CD2 3.9Å; W228-L230 HydrophobicContact CZ3-CD2 4.45Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.26Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.06Å
229	A	98.5	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.3	162.4	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.31Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.45Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.42Å; A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 3.37Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.2	Very high	96.5	Very high	54 Å²	54	41.9 Å²	41.9	28%	0.283	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.6	-174.6	-57.9	176.8	0	0	0	110.9	K210 W228 F232 Q266	K210-L230 HydrophobicContact CB-CB 4.49Å; K210-L230 WeakPolarHBondContact CB-O 3.25Å; K210-L230 PolarHBondContact N-O 2.88Å; K210-L230 PolarHBondContact O-N 2.61Å; W228-L230 HydrophobicContact CE3-CD2 3.9Å; W228-L230 HydrophobicContact CZ3-CD2 4.45Å; L230-F232 PolarHBondContact O-N 3.3Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	97.2	Very high	96.9	Very high	18 Å²	18	34.9 Å²	34.9	19%	0.186	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.7	35.3	168.6	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.32Å; G231-F265 PolarHBondContact N-O 3.12Å
232	F	97.1	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	155.9	178.6	60	-89.7	0	0	0	112.1	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 VanDerWaalsContact O-CA 3.25Å; E207-F232 WeakPolarHBondContact O-CA 3.17Å; E207-F232 WeakPolarHBondContact O-CB 3.47Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.97Å; P209-F232 HydrophobicContact CB-CG 4.19Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.45Å; L230-F232 PolarHBondContact O-N 3.3Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.43Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CD2-CG2 4.49Å; F232-I237 HydrophobicContact CE1-CD1 3.83Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.01Å; F232-T257 HydrophobicContact CZ-CG2 3.81Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.29Å; F232-F265 WeakPolarHBondContact CD1-O 3.18Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 3.33Å; F232-F265 PolarHBondContact O-N 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.64Å
233	Y	95.4	Very high	97.2	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-151.6	136.2	173.3	178.4	-84.2	0	0	0	108.2	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.05Å; T55-Y233 PolarHBondContact OG1-OH 3Å; R205-Y233 HydrophobicContact CG-CD1 4.37Å; R205-Y233 WeakPolarHBondContact O-CD1 3.02Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.32Å; A206-Y233 WeakPolarHBondContact CA-O 3.38Å; E207-Y233 PolarHBondContact N-O 3.39Å; E207-Y233 PolarHBondContact O-N 2.9Å; E207-Y233 VanDerWaalsContact O-N 3.14Å; Y233-G263 WeakPolarHBondContact CD2-O 3.11Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 4Å; Y233-F265 HydrophobicContact CD2-CE2 4Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; Y233-H287 PolarHBondContact O-CE1 2.75Å
234	P	95	Very high	97.2	Very high	17 Å²	17	34.3 Å²	34.3	11%	0.11	18%	0.175	C	C	.	.	S	Bend	cis	-70.9	-177.5	2.9	30	-36.4	0	0	0	114.4	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.1Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.43Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 2.94Å; P234-H287 PolarHBondContact O-NE2 3.49Å; P234-H287 VanDerWaalsContact O-NE2 3.15Å
235	A	96.2	Very high	96.9	Very high	17 Å²	17	35.6 Å²	35.6	14%	0.14	19%	0.193	C	C	.	.	S	Bend	trans	-72.7	-23	-176.8	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.27Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 3.44Å; A235-I237 PolarHBondContact O-N 2.7Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.75Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.78Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.3	Very high	96.8	Very high	145 Å²	145	41.8 Å²	41.8	68%	0.678	22%	0.222	S	C	*	.			trans	-67.9	115.4	-179.1	-171.6	59	-145.9	0	0	110.5	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 2.94Å; E236-H287 PolarHBondContact O-CD2 3.33Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å
237	I	96.3	Very high	96.7	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.056	24%	0.237	C	C	.	.			trans	-151	141.6	-178.3	-165.2	169.1	0	0	0	109.8	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CD2-CG2 4.49Å; F232-I237 HydrophobicContact CE1-CD1 3.83Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 2.7Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 3.97Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; I237-H287 HydrophobicContact CD1-CB 4.23Å; I237-H287 HydrophobicContact CG1-CB 4.03Å
238	T	97.1	Very high	96.5	Very high	59 Å²	59	44.8 Å²	44.8	36%	0.362	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.4	174	-62.7	0	0	0	0	110.3	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.06Å; T238-Q286 PolarHBondContact N-O 2.9Å; T238-Q286 PolarHBondContact O-N 3.42Å
239	L	97.8	Very high	96.1	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.6	173.1	-87.1	63.4	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.27Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.32Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.6	Very high	95.6	Very high	38 Å²	38	56.5 Å²	56.5	23%	0.233	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.4	176.2	60.1	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; T240-H284 PolarHBondContact N-O 3.13Å; T240-H284 PolarHBondContact O-N 3.34Å
241	W	98.2	Very high	95.1	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.9	168.4	-82.5	102.9	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.95Å; W241-A269 PolarHBondContact NE1-O 2.87Å; W241-V271 HydrophobicContact CB-CG1 3.65Å; W241-V271 HydrophobicContact CB-CG2 4.42Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 3.98Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; W241-V271 HydrophobicContact CZ3-CG2 4.47Å; W241-T282 VanDerWaalsContact CE3-C 3.44Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4.03Å
242	Q	97.9	Very high	95.1	Very high	41 Å²	41	59.7 Å²	59.7	19%	0.192	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.3	171.9	-74.3	-178.2	-3.6	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.48Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D247 PolarHBondContact NE2-OD1 3.42Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; Q242-T282 PolarHBondContact N-O 3.01Å; Q242-T282 PolarHBondContact O-N 3.21Å; Q242-H284 VanDerWaalsContact CD-NE2 3.31Å; Q242-H284 PolarHBondContact OE1-NE2 3.12Å
243	R	97.4	Very high	95	Very high	83 Å²	83	65.1 Å²	65.1	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.4	168.8	-175.2	-178.6	74.1	-168.8	-2.7	108.7	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.4Å; R243-E246 PolarHBondContact N-O 3.36Å; R243-E246 PolarHBondContact O-N 2.78Å; R243-Q248 HydrophobicContact CB-CG 4.02Å; R243-R280 WeakPolarHBondContact CA-O 3.26Å; R243-R280 HydrophobicContact CG-CB 4.32Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.85Å; R243-Y281 VanDerWaalsContact CD-CZ 3.47Å; R243-Y281 VanDerWaalsContact CD-OH 3.29Å; R243-Y281 WeakPolarHBondContact CD-OH 3.35Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.02Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å
244	D	95.4	Very high	95.1	Very high	102 Å²	102	69.2 Å²	69.2	55%	0.545	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	29.4	-175.3	-53.4	-49.1	0	0	0	114.1	R280	D244-R280 PolarHBondContact N-O 2.88Å; D244-R280 IonicContact OD1-NE 2.87Å; D244-R280 PolarHBondContact OD1-NE 3.25Å; D244-R280 IonicContact OD2-CZ 2.63Å; D244-R280 IonicContact OD2-NE 3.13Å; D244-R280 PolarHBondContact OD2-NE 2.8Å; D244-R280 IonicContact OD2-NH2 3.64Å; D244-R280 PolarHBondContact OD2-NH2 2.83Å
245	G	91.9	Very high	95.2	Very high	50 Å²	50	70 Å²	70	52%	0.515	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-1.4	-177.7	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 3.4Å
246	E	95.7	Very high	95.2	Very high	130 Å²	130	77.4 Å²	77.4	61%	0.607	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.5	176	-63.3	-173.8	164.7	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.48Å; R243-E246 PolarHBondContact N-O 3.36Å; R243-E246 PolarHBondContact O-N 2.78Å; E246-Q248 PolarHBondContact O-NE2 3.37Å
247	D	95.4	Very high	95.3	Very high	97 Å²	97	72.7 Å²	72.7	52%	0.519	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	136.3	-179.5	-68.3	-24.3	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D247 PolarHBondContact NE2-OD1 3.42Å
248	Q	95.3	Very high	95.4	Very high	18 Å²	18	76.8 Å²	76.8	8%	0.084	40%	0.398	C	S	.	.			trans	-106.6	34.2	-177.1	-58.2	-58.4	-66.4	0	0	112.6	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.95Å; R243-Q248 HydrophobicContact CB-CG 4.02Å; E246-Q248 PolarHBondContact O-NE2 3.37Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.11Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å; Q248-D251 PolarHBondContact O-N 2.74Å; Q248-D251 VanDerWaalsContact O-N 3.13Å; Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.04Å; Q248-V271 HydrophobicContact CB-CG1 4.44Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å
249	T	89	Confident	95.4	Very high	105 Å²	105	78.4 Å²	78.4	64%	0.644	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.6	-168.7	-49.3	0	0	0	0	114.4
250	Q	89.3	Confident	95.3	Very high	190 Å²	190	80.5 Å²	80.5	89%	0.888	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-30.9	-179.1	-66.6	-173.5	4.2	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.11Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å
251	D	87.7	Confident	95.1	Very high	116 Å²	116	82.3 Å²	82.3	62%	0.62	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	1	-177.8	-57.8	-50.4	0	0	0	112.2	Q248	Q248-D251 PolarHBondContact O-N 2.74Å; Q248-D251 VanDerWaalsContact O-N 3.13Å
252	T	95.3	Very high	94.8	Very high	23 Å²	23	87.6 Å²	87.6	14%	0.141	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121	179.8	-61.4	0	0	0	0	110.8	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.04Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.03Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 WeakPolarHBondContact CA-O 3.41Å; T252-V271 HydrophobicContact CG2-CG1 4.33Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.48Å
253	E	96.7	Very high	94.4	Very high	114 Å²	114	87.7 Å²	87.7	53%	0.533	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	106.8	163.2	-173.7	-175	-172	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.18Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.45Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.43Å; E253-A270 PolarHBondContact O-N 3.19Å
254	L	96.8	Very high	94.4	Very high	89 Å²	89	84 Å²	84	47%	0.466	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.2	178.4	-174.2	68.2	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.03Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.7	Very high	94.5	Very high	33 Å²	33	80.5 Å²	80.5	20%	0.2	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-85	153.3	175.1	-64.6	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.36Å; V255-K267 WeakPolarHBondContact O-CG 3.36Å; V255-K267 PolarHBondContact O-NZ 2.88Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.31Å; V255-W268 PolarHBondContact N-O 3.18Å
256	E	96.6	Very high	94.8	Very high	172 Å²	172	80.2 Å²	80.2	80%	0.804	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-58	147.4	167.7	-68	-175.9	173.4	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.39Å
257	T	97.7	Very high	94.9	Very high	46 Å²	46	75.1 Å²	75.1	28%	0.282	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-68.1	129.4	175.3	-54	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.01Å; F232-T257 HydrophobicContact CZ-CG2 3.81Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.96Å; T257-F265 HydrophobicContact CG2-CG 4.16Å; T257-K267 WeakPolarHBondContact OG1-CD 3.46Å; T257-K267 PolarHBondContact OG1-NZ 3.02Å; T257-K267 VanDerWaalsContact OG1-NZ 3.11Å
258	R	97.1	Very high	95.1	Very high	98 Å²	98	71.6 Å²	71.6	37%	0.37	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.1	-173.6	69.5	-168	-179.4	-171.9	2.6	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.39Å; R258-F265 WeakPolarHBondContact O-CA 3.06Å; R258-Q266 HydrophobicContact CG-CG 3.6Å; R258-Q266 PolarHBondContact N-O 3.03Å; R258-Q266 WeakPolarHBondContact O-CG 3.19Å; R258-Q266 PolarHBondContact O-N 3.25Å
259	P	97	Very high	95.2	Very high	93 Å²	93	70.8 Å²	70.8	60%	0.604	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.3	178.2	28.4	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.31Å
260	A	96.3	Very high	95.6	Very high	50 Å²	50	65.9 Å²	65.9	41%	0.413	37%	0.368	S	S	.	.			trans	-87.3	-19.1	172.6	0	0	0	0	0	112.8	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.31Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 PolarHBondContact N-O 3.34Å
261	G	92.9	Very high	96	Very high	77 Å²	77	57 Å²	57	79%	0.794	33%	0.327	S	S	*	.	S	Bend	trans	97.1	-6.3	178.5	0	0	0	0	0	115
262	D	92.2	Very high	96.5	Very high	113 Å²	113	55.3 Å²	55.3	60%	0.604	32%	0.321	S	S	*	.	S	Bend	trans	-105	12.1	175.7	60.4	1.2	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.31Å; D262-T264 WeakPolarHBondContact OD1-CB 3.48Å; D262-T264 PolarHBondContact OD1-N 2.92Å; D262-T264 PolarHBondContact OD1-OG1 3.41Å
263	G	90.9	Very high	96.6	Very high	42 Å²	42	54.3 Å²	54.3	43%	0.433	31%	0.314	S	S	.	.	S	Bend	trans	90.2	-2.5	-173.8	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.11Å
264	T	96.1	Very high	96.6	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.043	30%	0.304	C	S	.	.			trans	-104	173	174.5	73.9	0	0	0	0	112.4	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.21Å; G231-T264 WeakPolarHBondContact CA-OG1 3.32Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.29Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 PolarHBondContact N-O 3.34Å; D262-T264 WeakPolarHBondContact OD1-CB 3.48Å; D262-T264 PolarHBondContact OD1-N 2.92Å; D262-T264 PolarHBondContact OD1-OG1 3.41Å
265	F	97.9	Very high	96.4	Very high	27 Å²	27	49.7 Å²	49.7	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	163.2	-177.3	-64.3	-86.9	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.75Å; D54-F265 HydrophobicContact CB-CZ 3.68Å; G231-F265 PolarHBondContact N-O 3.12Å; F232-F265 WeakPolarHBondContact CD1-O 3.18Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 3.33Å; F232-F265 PolarHBondContact O-N 3.09Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 4Å; Y233-F265 HydrophobicContact CD2-CE2 4Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.75Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.78Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.96Å; T257-F265 HydrophobicContact CG2-CG 4.16Å; R258-F265 WeakPolarHBondContact O-CA 3.06Å; P259-F265 HydrophobicContact CB-CE1 4.31Å
266	Q	98.2	Very high	96.1	Very high	45 Å²	45	51.4 Å²	51.4	21%	0.21	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146	174.4	41.4	166.4	-19.8	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.42Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.6Å; R258-Q266 PolarHBondContact N-O 3.03Å; R258-Q266 WeakPolarHBondContact O-CG 3.19Å; R258-Q266 PolarHBondContact O-N 3.25Å
267	K	98.5	Very high	96.1	Very high	22 Å²	22	46 Å²	46	10%	0.096	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.5	177.3	-162.3	-175.8	-172	70.3	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 3.37Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.27Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.36Å; V255-K267 WeakPolarHBondContact O-CG 3.36Å; V255-K267 PolarHBondContact O-NZ 2.88Å; T257-K267 WeakPolarHBondContact OG1-CD 3.46Å; T257-K267 PolarHBondContact OG1-NZ 3.02Å; T257-K267 VanDerWaalsContact OG1-NZ 3.11Å
268	W	98.3	Very high	95.9	Very high	24 Å²	24	44.8 Å²	44.8	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.8	169.1	59.3	-98.1	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.58Å; C227-W268 WeakPolarHBondContact O-CA 3.35Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.26Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.06Å; E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.18Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.31Å; V255-W268 PolarHBondContact N-O 3.18Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
269	A	98.3	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.3	174.2	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.28Å; C227-A269 PolarHBondContact N-O 2.97Å; C227-A269 PolarHBondContact O-N 2.64Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 2.87Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.45Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	98.1	Very high	95.8	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.3	-179.5	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.92Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.49Å; R226-A270 HydrophobicContact CB-CB 3.99Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 WeakPolarHBondContact CA-O 3.41Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.43Å; E253-A270 PolarHBondContact O-N 3.19Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
271	V	97.8	Very high	95.9	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.5	174.6	-72.7	0	0	0	0	109.5	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.39Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.37Å; L225-V271 PolarHBondContact O-N 2.84Å; W241-V271 HydrophobicContact CB-CG1 3.65Å; W241-V271 HydrophobicContact CB-CG2 4.42Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 3.98Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.26Å; W241-V271 HydrophobicContact CZ3-CG2 4.47Å; Q248-V271 HydrophobicContact CB-CG1 4.44Å; T252-V271 HydrophobicContact CG2-CG1 4.33Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.48Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.8Å; V271-Y281 HydrophobicContact CG2-CD1 4.13Å
272	V	97.4	Very high	96.2	Very high	81 Å²	81	39.6 Å²	39.6	49%	0.491	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	128.3	169.1	-178.4	0	0	0	0	107.8	E222	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.32Å
273	V	96.6	Very high	96.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.1	-175.5	-52.8	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.44Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.47Å; A223-V273 WeakPolarHBondContact O-CG2 3.5Å; A223-V273 PolarHBondContact O-N 2.83Å; L225-V273 HydrophobicContact CD1-CG1 4.05Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.21Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.8Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.67Å
274	P	96.3	Very high	96.8	Very high	49 Å²	49	33.8 Å²	33.8	32%	0.318	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.3	170.5	-20.5	32.5	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.52Å; H221-P274 WeakPolarHBondContact O-CA 3.24Å; P274-G276 PolarHBondContact O-N 2.79Å; P274-E277 HydrophobicContact CB-CB 4.32Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 WeakPolarHBondContact O-CB 3.38Å; P274-E277 PolarHBondContact O-N 2.89Å
275	S	92.8	Very high	96.9	Very high	58 Å²	58	33.4 Å²	33.4	41%	0.406	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	129.3	176.3	-62.5	0	0	0	0	111.3	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 3.04Å; H221-S275 PolarHBondContact O-OG 3.31Å; E222-S275 PolarHBondContact N-OG 3.23Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.49Å
276	G	91.7	Very high	96.8	Very high	68 Å²	68	35.7 Å²	35.7	70%	0.701	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-8.4	-176.5	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 2.79Å; G276-E278 WeakPolarHBondContact CA-OE2 3.37Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.82Å; G276-E278 PolarHBondContact N-OE2 3.11Å
277	E	95.4	Very high	96.7	Very high	60 Å²	60	33.8 Å²	33.8	28%	0.28	19%	0.188	S	C	.	.			trans	-98.8	3.1	175.8	-65.1	-162	-167.7	0	0	113.5	P274 S275 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.32Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 WeakPolarHBondContact O-CB 3.38Å; P274-E277 PolarHBondContact O-N 2.89Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 2.82Å; E277-R280 VanDerWaalsContact CD-NH1 3.25Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.27Å; E277-R280 PolarHBondContact O-N 3.03Å; E277-R280 IonicContact OE1-NH1 3.49Å; E277-R280 PolarHBondContact OE1-NH1 2.04Å; E277-R280 IonicContact OE2-CZ 3.67Å; E277-R280 IonicContact OE2-NH1 2.74Å; E277-R280 PolarHBondContact OE2-NH1 3.01Å; E277-Y281 HydrophobicContact CB-CE2 4.29Å; E277-Y281 VanDerWaalsContact O-CD2 3.32Å; E277-Y281 WeakPolarHBondContact O-CD2 3.18Å
278	E	94.9	Very high	96.3	Very high	20 Å²	20	36.2 Å²	36.2	9%	0.093	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-56.8	-33.5	-171.1	-57.5	81.8	-179.7	0	0	112.6	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.49Å; G276-E278 WeakPolarHBondContact CA-OE2 3.37Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.82Å; G276-E278 PolarHBondContact N-OE2 3.11Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.45Å; E278-Y281 PolarHBondContact O-N 3.18Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.81Å; E278-W298 HydrophobicContact CG-CE3 3.76Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	95.3	Very high	95.9	Very high	88 Å²	88	36 Å²	36	41%	0.411	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-72.8	-15.1	-179.5	-63.2	-57.5	-46.7	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.82Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.44Å
280	R	96.8	Very high	95.7	Very high	100 Å²	100	36.6 Å²	36.6	38%	0.377	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-77.2	-17.2	172.9	-62.6	173.9	67.5	-177.2	8	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.26Å; R243-R280 HydrophobicContact CG-CB 4.32Å; D244-R280 PolarHBondContact N-O 2.88Å; D244-R280 IonicContact OD1-NE 2.87Å; D244-R280 PolarHBondContact OD1-NE 3.25Å; D244-R280 IonicContact OD2-CZ 2.63Å; D244-R280 IonicContact OD2-NE 3.13Å; D244-R280 PolarHBondContact OD2-NE 2.8Å; D244-R280 IonicContact OD2-NH2 3.64Å; D244-R280 PolarHBondContact OD2-NH2 2.83Å; E277-R280 VanDerWaalsContact CD-NH1 3.25Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.27Å; E277-R280 PolarHBondContact O-N 3.03Å; E277-R280 IonicContact OE1-NH1 3.49Å; E277-R280 PolarHBondContact OE1-NH1 2.04Å; E277-R280 IonicContact OE2-CZ 3.67Å; E277-R280 IonicContact OE2-NH1 2.74Å; E277-R280 PolarHBondContact OE2-NH1 3.01Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.45Å
281	Y	97.6	Very high	95.4	Very high	8 Å²	8	42.6 Å²	42.6	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.2	-178.2	-67	-99.2	0	0	0	111	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.85Å; R243-Y281 VanDerWaalsContact CD-CZ 3.47Å; R243-Y281 VanDerWaalsContact CD-OH 3.29Å; R243-Y281 WeakPolarHBondContact CD-OH 3.35Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.02Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.13Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.67Å; E277-Y281 HydrophobicContact CB-CE2 4.29Å; E277-Y281 VanDerWaalsContact O-CD2 3.32Å; E277-Y281 WeakPolarHBondContact O-CD2 3.18Å; E278-Y281 PolarHBondContact O-N 3.18Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	98	Very high	95.1	Very high	12 Å²	12	49.5 Å²	49.5	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.5	177.1	48.4	0	0	0	0	110.1	W241 Q242 H284 T295 L296 R297	W241-T282 VanDerWaalsContact CE3-C 3.44Å; Q242-T282 PolarHBondContact N-O 3.01Å; Q242-T282 PolarHBondContact O-N 3.21Å; T282-H284 PolarHBondContact OG1-NE2 3.4Å; T282-T295 HydrophobicContact CG2-CG2 3.96Å; T282-L296 CarbonylContact C-O 3.49Å; T282-L296 WeakPolarHBondContact CA-O 3.36Å; T282-R297 HydrophobicContact CG2-CG 3.63Å; T282-R297 VanDerWaalsContact CG2-NE 3.29Å
283	C	98.2	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.2	170.1	175.2	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.45Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4.03Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.04Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 3.48Å; C283-L296 PolarHBondContact O-N 2.93Å
284	H	97.9	Very high	95	Very high	33 Å²	33	51.8 Å²	51.8	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.7	174.5	-64.6	-99.3	0	0	0	110.1	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.32Å; T240-H284 PolarHBondContact N-O 3.13Å; T240-H284 PolarHBondContact O-N 3.34Å; Q242-H284 VanDerWaalsContact CD-NE2 3.31Å; Q242-H284 PolarHBondContact OE1-NE2 3.12Å; T282-H284 PolarHBondContact OG1-NE2 3.4Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 VanDerWaalsContact CA-O 3.29Å; H284-L294 WeakPolarHBondContact CA-O 3.43Å; H284-T295 PolarHBondContact CE1-OG1 2.99Å; H284-T295 PolarHBondContact ND1-OG1 3.1Å; H284-T295 VanDerWaalsContact ND1-OG1 3.15Å
285	V	97.9	Very high	95	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.4	-178.1	-174.3	0	0	0	0	109.1	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.43Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 3.97Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.06Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.31Å; V285-P293 WeakPolarHBondContact O-CA 3.15Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.36Å; V285-L294 PolarHBondContact O-N 3.39Å; V285-L296 HydrophobicContact CG2-CD1 4Å
286	Q	96.8	Very high	95.2	Very high	74 Å²	74	52.3 Å²	52.3	35%	0.346	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.9	174.9	-55.7	179.8	13.7	0	0	109.3	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; T238-Q286 PolarHBondContact N-O 2.9Å; T238-Q286 PolarHBondContact O-N 3.42Å; Q286-P293 HydrophobicContact CG-CB 3.98Å; Q286-P293 HydrophobicContact CG-CG 4.08Å
287	H	95.2	Very high	95.4	Very high	5 Å²	5	56 Å²	56	2%	0.023	28%	0.283	C	S	.	.			trans	-161	139.3	-176.2	-178.7	-97.3	0	0	0	109.6	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.18Å; E207-H287 PolarHBondContact O-CE1 2.88Å; P209-H287 HydrophobicContact CG-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.64Å; Y233-H287 PolarHBondContact O-CE1 2.75Å; P234-H287 PolarHBondContact O-NE2 3.49Å; P234-H287 VanDerWaalsContact O-NE2 3.15Å; E236-H287 PolarHBondContact O-CD2 3.33Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å; I237-H287 HydrophobicContact CD1-CB 4.23Å; I237-H287 HydrophobicContact CG1-CB 4.03Å; H287-G289 PolarHBondContact CE1-N 3.19Å; H287-G289 WeakPolarHBondContact ND1-CA 3.32Å; H287-G289 PolarHBondContact ND1-N 3.45Å; H287-G289 PolarHBondContact O-N 2.96Å; H287-L290 HydrophobicContact CB-CD1 4.02Å; H287-L290 HydrophobicContact CB-CG 4.27Å; H287-L290 WeakPolarHBondContact O-CB 3.35Å; H287-L290 PolarHBondContact O-N 2.94Å
288	E	91.1	Very high	95.5	Very high	74 Å²	74	55.4 Å²	55.4	35%	0.346	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-32.9	179.5	172.3	179	130.2	0	0	114.6	W23 A206 L290	W23-E288 WeakPolarHBondContact CZ3-O 3.38Å; A206-E288 HydrophobicContact CB-CG 4.09Å; E288-L290 PolarHBondContact O-N 2.9Å
289	G	90.4	Very high	95.2	Very high	19 Å²	19	62.4 Å²	62.4	20%	0.196	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.1	177.5	0	0	0	0	0	115.4	H287	H287-G289 PolarHBondContact CE1-N 3.19Å; H287-G289 WeakPolarHBondContact ND1-CA 3.32Å; H287-G289 PolarHBondContact ND1-N 3.45Å; H287-G289 PolarHBondContact O-N 2.96Å
290	L	93.2	Very high	94.6	Very high	12 Å²	12	62 Å²	62	6%	0.063	32%	0.316	C	S	.	.			trans	-104.3	128.5	-178.6	-66	170.6	0	0	0	110.7	W23 H208 P209 V285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.32Å; W23-L290 WeakPolarHBondContact CZ3-O 3.32Å; H208-L290 HydrophobicContact CB-CD2 3.94Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.45Å; P209-L290 HydrophobicContact CG-CG 4.25Å; V285-L290 HydrophobicContact CG1-CD1 4.31Å; H287-L290 HydrophobicContact CB-CD1 4.02Å; H287-L290 HydrophobicContact CB-CG 4.27Å; H287-L290 WeakPolarHBondContact O-CB 3.35Å; H287-L290 PolarHBondContact O-N 2.94Å; E288-L290 PolarHBondContact O-N 2.9Å; L290-E292 WeakPolarHBondContact CB-O 3.46Å; L290-E292 PolarHBondContact O-N 3.5Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CG 3.95Å; L290-L294 HydrophobicContact CG-CD1 4.48Å
291	P	91.2	Very high	93	Very high	130 Å²	130	62.2 Å²	62.2	84%	0.844	33%	0.332	S	S	*	.	S	Bend	trans	-65.2	-30.1	176.5	26.8	-34.2	0	0	0	112.7
292	E	92.3	Very high	90.7	Very high	147 Å²	147	67.2 Å²	67.2	69%	0.687	37%	0.369	S	S	*	.	S	Bend	trans	-140.7	150.5	175.9	-66.1	-177.3	177.1	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.46Å; L290-E292 PolarHBondContact O-N 3.5Å; E292-L294 PolarHBondContact O-N 3.19Å
293	P	94.9	Very high	88.2	Confident	71 Å²	71	74.6 Å²	74.6	46%	0.461	40%	0.402	S	S	.	.			trans	-53.2	138.7	172.7	-27.5	36.4	0	0	0	112.5	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.15Å; Q286-P293 HydrophobicContact CG-CB 3.98Å; Q286-P293 HydrophobicContact CG-CG 4.08Å
294	L	96.6	Very high	85.7	Confident	60 Å²	60	79.3 Å²	79.3	31%	0.314	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.7	175	-64.7	176.9	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.37Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 VanDerWaalsContact CA-O 3.29Å; H284-L294 WeakPolarHBondContact CA-O 3.43Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.36Å; V285-L294 PolarHBondContact O-N 3.39Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CG 3.95Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; E292-L294 PolarHBondContact O-N 3.19Å
295	T	97.6	Very high	83.4	Confident	83 Å²	83	84.2 Å²	84.2	51%	0.509	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.6	169.6	-53.8	0	0	0	0	109.3	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.96Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.04Å; H284-T295 PolarHBondContact CE1-OG1 2.99Å; H284-T295 PolarHBondContact ND1-OG1 3.1Å; H284-T295 VanDerWaalsContact ND1-OG1 3.15Å
296	L	96.9	Very high	81.3	Confident	35 Å²	35	89.1 Å²	89.1	18%	0.183	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.6	-175.2	-60	156	0	0	0	110	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.41Å; T211-L296 HydrophobicContact CG2-CD1 4.15Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.43Å; V213-L296 HydrophobicContact CG2-CB 3.91Å; T282-L296 CarbonylContact C-O 3.49Å; T282-L296 WeakPolarHBondContact CA-O 3.36Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 3.48Å; C283-L296 PolarHBondContact O-N 2.93Å; V285-L296 HydrophobicContact CG2-CD1 4Å
297	R	96.1	Very high	79.5	Confident	146 Å²	146	89.7 Å²	89.7	55%	0.551	50%	0.501	S	S	*	.			trans	-116.7	161.2	166.8	-71.2	-175.8	176.7	166.7	-0.5	109.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.63Å; T282-R297 VanDerWaalsContact CG2-NE 3.29Å; R297-E299 PolarHBondContact O-N 3.2Å
298	W	95.7	Very high	77.8	Confident	47 Å²	47	95.1 Å²	95.1	18%	0.178	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-69.3	122.6	167.9	170.4	57.3	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.79Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.97Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.81Å; E278-W298 HydrophobicContact CG-CE3 3.76Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3.44Å; W298-P300 HydrophobicContact CE3-CG 4.42Å; W298-P300 HydrophobicContact CH2-CB 4.27Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 4.05Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.1Å
299	E	89.5	Confident	76.4	Confident	167 Å²	167	97.4 Å²	97.4	78%	0.78	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-100.8	119.6	170	-70.3	-175.9	174.1	0	0	109.2	R297 S301	R297-E299 PolarHBondContact O-N 3.2Å; E299-S301 PolarHBondContact O-N 3.42Å
300	P	82.1	Confident	75.3	Confident	79 Å²	79	98.6 Å²	98.6	51%	0.513	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-58.8	128.9	171.4	-19.8	30.6	0	0	0	109.1	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.42Å; W298-P300 HydrophobicContact CH2-CB 4.27Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 4.05Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.1Å; P300-S302 PolarHBondContact O-N 3.1Å
301	S	64.8	Low	74.3	Confident	104 Å²	104	102.4 Å²	102.4	73%	0.727	58%	0.579	S	S	*	*			trans	-57.8	111.7	-178.5	69.2	0	0	0	0	110	E299 Q303	E299-S301 PolarHBondContact O-N 3.42Å; S301-Q303 PolarHBondContact O-N 2.88Å
302	S	49.3	Very low	73.5	Confident	114 Å²	114	100.5 Å²	100.5	80%	0.797	57%	0.565	S	S	*	*			trans	-79.3	63.1	167.1	50.1	0	0	0	0	108.7	P300 P304	P300-S302 PolarHBondContact O-N 3.1Å; S302-P304 WeakPolarHBondContact O-CD 3.39Å
303	Q	44.8	Very low	72.7	Confident	166 Å²	166	96 Å²	96	78%	0.776	55%	0.553	S	S	*	*			trans	-76.5	103.8	153.7	-82.1	-168.1	-17.1	0	0	105.8	S301 T305	S301-Q303 PolarHBondContact O-N 2.88Å; Q303-T305 PolarHBondContact O-N 3.2Å
304	P	45	Very low	72	Confident	100 Å²	100	94.3 Å²	94.3	65%	0.649	55%	0.548	S	S	*	.			trans	-58.5	117.4	161.5	26.2	-30.7	0	0	0	104.9	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.39Å; P304-I306 HydrophobicContact CB-CG1 4.17Å; P304-I306 HydrophobicContact CG-CG1 4.17Å; P304-I306 PolarHBondContact O-N 3.42Å
305	T	50.2	Low	71.5	Confident	136 Å²	136	96.6 Å²	96.6	83%	0.834	56%	0.56	S	S	*	*			trans	-64.4	78.5	157.6	-41.5	0	0	0	0	105	Q303 P307	Q303-T305 PolarHBondContact O-N 3.2Å; T305-P307 VanDerWaalsContact O-CD 3.25Å; T305-P307 WeakPolarHBondContact O-CD 3.43Å
306	I	54.2	Low	70.8	Confident	103 Å²	103	95.1 Å²	95.1	53%	0.528	56%	0.556	S	S	.	*			trans	-54.4	118.3	165.6	-62.3	176.4	0	0	0	102.8	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.17Å; P304-I306 HydrophobicContact CG-CG1 4.17Å; P304-I306 PolarHBondContact O-N 3.42Å; I306-I308 HydrophobicContact CG2-CG1 4.32Å; I306-I308 PolarHBondContact O-N 3.32Å; I306-I311 HydrophobicContact CG2-CD1 3.99Å
307	P	57.5	Low	70.2	Confident	85 Å²	85	97.6 Å²	97.6	55%	0.552	57%	0.573	S	S	*	*			trans	-74	78.2	-177.1	30.3	-32.4	0	0	0	106.7	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.25Å; T305-P307 WeakPolarHBondContact O-CD 3.43Å; P307-V309 PolarHBondContact O-N 2.78Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.31Å; P307-G310 PolarHBondContact O-N 3.16Å; P307-I311 PolarHBondContact O-N 2.87Å; P307-I311 VanDerWaalsContact O-N 3.12Å
308	I	60.9	Low	69.6	Low	119 Å²	119	96 Å²	96	61%	0.61	58%	0.575	S	S	*	*	H	α-helix	trans	-55	-35.1	177.9	-66.2	169.4	0	0	0	108.4	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.32Å; I306-I308 PolarHBondContact O-N 3.32Å; I308-G310 PolarHBondContact O-N 3.07Å; I308-I311 PolarHBondContact O-N 2.72Å; I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.16Å; I308-V312 WeakPolarHBondContact O-CG2 3.39Å; I308-V312 PolarHBondContact O-N 3.01Å
309	V	61.2	Low	69.1	Low	122 Å²	122	96.4 Å²	96.4	74%	0.739	59%	0.588	S	S	*	*	H	α-helix	trans	-61.3	-40.8	173.1	-179.4	0	0	0	0	112.4	P307 A313	P307-V309 PolarHBondContact O-N 2.78Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 VanDerWaalsContact O-CB 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.29Å; V309-A313 PolarHBondContact O-N 3.27Å
310	G	66.4	Low	68.9	Low	44 Å²	44	92.7 Å²	92.7	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-69	-38.7	179.1	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.31Å; P307-G310 PolarHBondContact O-N 3.16Å; I308-G310 PolarHBondContact O-N 3.07Å; G310-G314 PolarHBondContact O-N 3.21Å
311	I	73.1	Confident	69	Low	93 Å²	93	93.9 Å²	93.9	48%	0.477	58%	0.578	S	S	.	*	H	α-helix	trans	-69.8	-44.1	176.8	-61.7	173.7	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.99Å; P307-I311 PolarHBondContact O-N 2.87Å; P307-I311 VanDerWaalsContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 2.72Å; I311-G314 PolarHBondContact O-N 3.26Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.41Å; I311-L315 WeakPolarHBondContact O-CG 3.21Å; I311-L315 PolarHBondContact O-N 3.06Å
312	V	75	Confident	69.9	Low	89 Å²	89	92.1 Å²	92.1	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-65.5	-42.6	178.3	173.2	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.16Å; I308-V312 WeakPolarHBondContact O-CG2 3.39Å; I308-V312 PolarHBondContact O-N 3.01Å; V312-L315 PolarHBondContact O-N 3.34Å; V312-A316 WeakPolarHBondContact O-CB 3.5Å; V312-A316 PolarHBondContact O-N 3.06Å
313	A	74.8	Confident	71.5	Confident	53 Å²	53	91.1 Å²	91.1	44%	0.438	56%	0.559	S	S	.	*	H	α-helix	trans	-63	-43.4	174.7	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.29Å; V309-A313 PolarHBondContact O-N 3.27Å; A313-A316 PolarHBondContact O-N 3.34Å; A313-V317 WeakPolarHBondContact O-CG2 3.43Å; A313-V317 PolarHBondContact O-N 2.84Å
314	G	80.6	Confident	73.3	Confident	35 Å²	35	88 Å²	88	36%	0.361	55%	0.546	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.9	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.21Å; I311-G314 PolarHBondContact O-N 3.26Å; G314-V317 PolarHBondContact O-N 3.16Å; G314-L318 PolarHBondContact O-N 2.89Å
315	L	85	Confident	75	Confident	108 Å²	108	85.2 Å²	85.2	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-38.3	177.2	-72.6	172.4	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.41Å; I311-L315 WeakPolarHBondContact O-CG 3.21Å; I311-L315 PolarHBondContact O-N 3.06Å; V312-L315 PolarHBondContact O-N 3.34Å; L315-L318 PolarHBondContact O-N 2.67Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.28Å
316	A	82.9	Confident	76.4	Confident	52 Å²	52	81.3 Å²	81.3	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-43.1	175.6	0	0	0	0	0	111.6	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.5Å; V312-A316 PolarHBondContact O-N 3.06Å; A313-A316 PolarHBondContact O-N 3.34Å; A316-A319 PolarHBondContact O-N 2.91Å; A316-V320 VanDerWaalsContact O-CG2 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 2.98Å
317	V	84.7	Confident	77.6	Confident	87 Å²	87	80.2 Å²	80.2	53%	0.527	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-44.2	176.3	172.7	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.43Å; A313-V317 PolarHBondContact O-N 2.84Å; G314-V317 PolarHBondContact O-N 3.16Å; V317-A319 PolarHBondContact O-N 2.86Å; V317-V320 PolarHBondContact O-N 3.2Å; V317-L321 HydrophobicContact CG1-CD1 3.98Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.25Å; V317-L321 PolarHBondContact O-N 3.11Å
318	L	84.5	Confident	78.4	Confident	113 Å²	113	81.8 Å²	81.8	59%	0.592	52%	0.517	S	S	*	.	H	α-helix	trans	-61.2	-41.9	176.5	-84.2	164	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.89Å; L315-L318 PolarHBondContact O-N 2.67Å; L318-L321 PolarHBondContact O-N 3.26Å; L318-A322 WeakPolarHBondContact O-CB 3.36Å; L318-A322 PolarHBondContact O-N 3.22Å
319	A	84.6	Confident	79.1	Confident	56 Å²	56	78.6 Å²	78.6	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176.4	0	0	0	0	0	111.9	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.28Å; A316-A319 PolarHBondContact O-N 2.91Å; V317-A319 PolarHBondContact O-N 2.86Å; A319-A322 PolarHBondContact O-N 3.11Å; A319-V323 WeakPolarHBondContact O-CG2 3.3Å; A319-V323 PolarHBondContact O-N 2.83Å
320	V	84.8	Confident	79.7	Confident	88 Å²	88	76.7 Å²	76.7	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-43.9	176.5	172	0	0	0	0	111.1	A316 V317 A322 V323 L324	A316-V320 VanDerWaalsContact O-CG2 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 2.98Å; V317-V320 PolarHBondContact O-N 3.2Å; V320-A322 PolarHBondContact O-N 3.41Å; V320-V323 PolarHBondContact O-N 3.21Å; V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.34Å; V320-L324 PolarHBondContact O-N 3.3Å
321	L	85.3	Confident	80	Confident	105 Å²	105	78 Å²	78	55%	0.55	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-39.2	177.2	-71.2	173.5	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.98Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.25Å; V317-L321 PolarHBondContact O-N 3.11Å; L318-L321 PolarHBondContact O-N 3.26Å; L321-L324 PolarHBondContact O-N 3.03Å; L321-G325 PolarHBondContact O-N 2.87Å
322	A	83.1	Confident	79.9	Confident	66 Å²	66	80 Å²	80	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-42	175.8	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.36Å; L318-A322 PolarHBondContact O-N 3.22Å; A319-A322 PolarHBondContact O-N 3.11Å; V320-A322 PolarHBondContact O-N 3.41Å; A322-G325 PolarHBondContact O-N 3.01Å; A322-A326 WeakPolarHBondContact O-CB 3.33Å; A322-A326 PolarHBondContact O-N 3.12Å
323	V	83	Confident	79.3	Confident	94 Å²	94	79.8 Å²	79.8	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-45.4	175.9	173.3	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.3Å; A319-V323 PolarHBondContact O-N 2.83Å; V320-V323 PolarHBondContact O-N 3.21Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.45Å; V323-A326 PolarHBondContact O-N 2.87Å; V323-V327 HydrophobicContact CG1-CG2 4.43Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.44Å; V323-V327 PolarHBondContact O-N 2.83Å
324	L	82.3	Confident	78.7	Confident	99 Å²	99	86.1 Å²	86.1	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-42.7	175.8	-73.8	168.3	0	0	0	111.7	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.34Å; V320-L324 PolarHBondContact O-N 3.3Å; L321-L324 PolarHBondContact O-N 3.03Å; L324-V327 PolarHBondContact O-N 3.49Å; L324-M328 WeakPolarHBondContact O-CB 3.49Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.34Å; L324-M328 PolarHBondContact O-N 2.98Å
325	G	81.6	Confident	77.6	Confident	42 Å²	42	94.5 Å²	94.5	43%	0.433	54%	0.54	S	S	.	.	H	α-helix	trans	-60.1	-44.5	174.7	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 2.87Å; A322-G325 PolarHBondContact O-N 3.01Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.45Å; G325-M328 PolarHBondContact O-N 3.47Å; G325-A329 WeakPolarHBondContact O-CB 3.32Å; G325-A329 PolarHBondContact O-N 3.28Å
326	A	79.2	Confident	75.9	Confident	55 Å²	55	98.1 Å²	98.1	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-64.5	-42.5	176.4	0	0	0	0	0	112.3	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.33Å; A322-A326 PolarHBondContact O-N 3.12Å; V323-A326 PolarHBondContact O-N 2.87Å; A326-A329 PolarHBondContact O-N 3.33Å; A326-V330 WeakPolarHBondContact O-CG2 3.18Å; A326-V330 PolarHBondContact O-N 2.82Å
327	V	79.3	Confident	74.4	Confident	79 Å²	79	100 Å²	100	48%	0.479	56%	0.562	S	S	.	*	H	α-helix	trans	-62.4	-45.1	176.1	171.9	0	0	0	0	110.6	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.43Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.44Å; V323-V327 PolarHBondContact O-N 2.83Å; L324-V327 PolarHBondContact O-N 3.49Å; V327-A329 PolarHBondContact O-N 3.1Å; V327-V330 PolarHBondContact O-N 3.32Å; V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.42Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.3Å; V327-V331 PolarHBondContact O-N 3.42Å
328	M	75.1	Confident	72.7	Confident	118 Å²	118	101 Å²	101	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-63	-40.8	176.8	-70.9	-62.1	-70.9	0	0	112	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.49Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.34Å; L324-M328 PolarHBondContact O-N 2.98Å; G325-M328 PolarHBondContact O-N 3.47Å; M328-V331 PolarHBondContact O-N 2.96Å; M328-M332 WeakPolarHBondContact O-CB 3.38Å; M328-M332 WeakPolarHBondContact O-CG 3.1Å; M328-M332 PolarHBondContact O-N 3.43Å
329	A	74.2	Confident	70.8	Confident	53 Å²	53	98.8 Å²	98.8	44%	0.438	58%	0.577	S	S	.	*	H	α-helix	trans	-62.8	-43.1	174.7	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.32Å; G325-A329 PolarHBondContact O-N 3.28Å; A326-A329 PolarHBondContact O-N 3.33Å; V327-A329 PolarHBondContact O-N 3.1Å; A329-M332 PolarHBondContact O-N 3.39Å; A329-C333 WeakPolarHBondContact O-CB 3.45Å; A329-C333 PolarHBondContact O-N 3.21Å; A329-C333 PolarHBondContact O-SG 2.98Å
330	V	73.5	Confident	68.5	Low	81 Å²	81	100.1 Å²	100.1	49%	0.491	60%	0.596	S	S	.	*	H	α-helix	trans	-64.8	-41.9	175.9	170.2	0	0	0	0	111.5	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.18Å; A326-V330 PolarHBondContact O-N 2.82Å; V327-V330 PolarHBondContact O-N 3.32Å; V330-C333 PolarHBondContact O-N 3.38Å; V330-R334 WeakPolarHBondContact O-CB 3.48Å; V330-R334 WeakPolarHBondContact O-CG 3.46Å; V330-R334 PolarHBondContact O-N 2.89Å
331	V	73.4	Confident	66.1	Low	73 Å²	73	106.3 Å²	106.3	44%	0.442	62%	0.616	S	S	.	*	H	α-helix	trans	-65.1	-41.1	177.1	170.7	0	0	0	0	110.9	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.42Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.3Å; V327-V331 PolarHBondContact O-N 3.42Å; M328-V331 PolarHBondContact O-N 2.96Å; V331-R334 PolarHBondContact O-N 2.69Å; V331-R335 WeakPolarHBondContact O-CB 3.32Å; V331-R335 PolarHBondContact O-N 2.96Å
332	M	71.6	Confident	63.6	Low	133 Å²	133	105.2 Å²	105.2	66%	0.655	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-40.8	174.5	-73.2	-173.1	71.7	0	0	112.3	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.38Å; M328-M332 WeakPolarHBondContact O-CG 3.1Å; M328-M332 PolarHBondContact O-N 3.43Å; A329-M332 PolarHBondContact O-N 3.39Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 3.04Å; M332-R335 PolarHBondContact O-N 2.77Å; M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 2.97Å
333	C	62.6	Low	61.1	Low	86 Å²	86	106 Å²	106	58%	0.581	64%	0.644	S	S	*	*	H	α-helix	trans	-63.5	-36	172.9	-79.5	0	0	0	0	112.3	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.45Å; A329-C333 PolarHBondContact O-N 3.21Å; A329-C333 PolarHBondContact O-SG 2.98Å; V330-C333 PolarHBondContact O-N 3.38Å; C333-K336 PolarHBondContact O-N 2.95Å; C333-S337 WeakPolarHBondContact O-CB 3.43Å; C333-S337 PolarHBondContact O-N 3.37Å; C333-S337 VanDerWaalsContact O-N 3.1Å; C333-S337 PolarHBondContact O-OG 3.15Å
334	R	61.3	Low	58.7	Low	186 Å²	186	107 Å²	107	70%	0.702	66%	0.656	S	S	*	*	H	α-helix	trans	-71.6	-35.6	173.8	-80.4	-172.9	154.4	168.5	-4	113.1	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.48Å; V330-R334 WeakPolarHBondContact O-CG 3.46Å; V330-R334 PolarHBondContact O-N 2.89Å; V331-R334 PolarHBondContact O-N 2.69Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 3.04Å; R334-K336 VanDerWaalsContact C-N 3.31Å; R334-S337 WeakPolarHBondContact CA-OG 3.36Å; R334-S337 PolarHBondContact O-N 3.08Å; R334-S337 PolarHBondContact O-OG 3.5Å
335	R	57.3	Low	56.3	Low	210 Å²	210	107.7 Å²	107.7	79%	0.792	67%	0.668	S	S	*	*	H	α-helix	trans	-68.4	-30.2	171.9	-111.3	-179.3	170.5	173.4	-2.4	112.8	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.32Å; V331-R335 PolarHBondContact O-N 2.96Å; M332-R335 PolarHBondContact O-N 2.77Å; R335-S338 PolarHBondContact O-OG 3.31Å
336	K	49.9	Very low	53.9	Low	184 Å²	184	111.8 Å²	111.8	80%	0.8	69%	0.689	S	S	*	*	H	α-helix	trans	-84.4	-15.9	178.5	-162.7	168.5	-178.8	178.6	0	113.6	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 2.97Å; C333-K336 PolarHBondContact O-N 2.95Å; R334-K336 VanDerWaalsContact C-N 3.31Å
337	S	51.3	Low	51.9	Low	93 Å²	93	118.3 Å²	118.3	65%	0.65	71%	0.71	S	S	*	*	S	Bend	trans	-96.8	1	177.7	44	0	0	0	0	114.6	C333 R334 G339	C333-S337 WeakPolarHBondContact O-CB 3.43Å; C333-S337 PolarHBondContact O-N 3.37Å; C333-S337 VanDerWaalsContact O-N 3.1Å; C333-S337 PolarHBondContact O-OG 3.15Å; R334-S337 WeakPolarHBondContact CA-OG 3.36Å; R334-S337 PolarHBondContact O-N 3.08Å; R334-S337 PolarHBondContact O-OG 3.5Å; S337-G339 VanDerWaalsContact C-N 3.32Å
338	S	48.4	Very low	49.5	Very low	107 Å²	107	119.5 Å²	119.5	75%	0.748	73%	0.728	S	S	*	*	S	Bend	trans	-91.9	21.6	172.1	75.2	0	0	0	0	114.2	R335	R335-S338 PolarHBondContact O-OG 3.31Å
339	G	45.5	Very low	47.4	Very low	67 Å²	67	118 Å²	118	69%	0.691	74%	0.735	S	S	*	*	S	Bend	trans	-161.1	99.2	175.2	0	0	0	0	0	112.2	S337	S337-G339 VanDerWaalsContact C-N 3.32Å
340	G	36.4	Very low	45.5	Very low	84 Å²	84	121.2 Å²	121.2	87%	0.866	75%	0.754	S	S	*	*			trans	142.5	104	165.9	0	0	0	0	0	114.3
341	K	33.4	Very low	43.6	Very low	218 Å²	218	122.8 Å²	122.8	95%	0.948	77%	0.769	S	S	*	*			trans	-95.6	137.5	179.1	-172.3	165.4	-179	172.1	0	109.4
342	G	33.2	Very low	41.9	Very low	81 Å²	81	126.6 Å²	126.6	84%	0.835	79%	0.787	S	S	*	*			trans	133	131.2	153.9	0	0	0	0	0	116.5
343	G	31.1	Very low	40.3	Very low	83 Å²	83	126.3 Å²	126.3	86%	0.856	80%	0.798	S	S	*	*			trans	135	104.4	149.1	0	0	0	0	0	116.6
344	S	32.3	Very low	39.1	Very low	115 Å²	115	126.8 Å²	126.8	80%	0.804	81%	0.808	S	S	*	*			trans	-65.1	160.3	178.2	-179.5	0	0	0	0	116.8
345	C	31.2	Very low	37.9	Very low	114 Å²	114	127.4 Å²	127.4	77%	0.77	82%	0.819	S	S	*	*			trans	8.6	137.1	154.4	-76.6	0	0	0	0	120.6
346	S	31.7	Very low	36.6	Very low	127 Å²	127	121 Å²	121	89%	0.888	82%	0.818	S	S	*	*				178.1	161.9	94.6	37.3	0	0	0	0	114.1
347	Q	36.3	Very low	36	Very low	192 Å²	192	117.2 Å²	117.2	90%	0.897	82%	0.815	S	S	*	*			trans	-67.2	149.8	-173.9	-171.4	175.5	10.9	0	0	115.1
348	A	29	Very low	35.4	Very low	104 Å²	104	119.8 Å²	119.8	86%	0.86	82%	0.821	S	S	*	*			trans	-161.8	135.5	143.9	0	0	0	0	0	111.5
349	A	32.7	Very low	34.7	Very low	88 Å²	88	123.3 Å²	123.3	73%	0.727	83%	0.826	S	S	*	*			trans	-113.3	167	179.4	0	0	0	0	0	110.8
350	S	34.1	Very low	34.1	Very low	120 Å²	120	125.8 Å²	125.8	84%	0.839	83%	0.832	S	S	*	*			trans	76	140.5	166.4	79.6	0	0	0	0	115.8
351	S	33	Very low	34	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	83%	0.833	S	S	*	*			cis	-156.6	159.1	47.2	48.1	0	0	0	0	115.3
352	N	37	Very low	34.1	Very low	153 Å²	153	127.2 Å²	127.2	82%	0.818	83%	0.828	S	S	*	*			trans	-66.7	158.6	171.7	-71.7	-33.9	0	0	0	113.9
353	S	38.6	Very low	34	Very low	127 Å²	127	127.7 Å²	127.7	89%	0.888	82%	0.824	S	S	*	*			trans	-153.3	132.9	134	-34.2	0	0	0	0	110.3
354	A	36.8	Very low	34	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	82%	0.823	S	S	*	*			trans	-102.2	171.9	172	0	0	0	0	0	110.1
355	Q	36.3	Very low	34.1	Very low	200 Å²	200	134.2 Å²	134.2	94%	0.935	83%	0.829	S	S	*	*			trans	114.8	123.6	142.7	-147.2	160.6	20	0	0	116.8
356	G	30.2	Very low	34.3	Very low	76 Å²	76	137.1 Å²	137.1	78%	0.784	86%	0.861	S	S	*	*			trans	163.5	93.1	168.6	0	0	0	0	0	113.6
357	S	38	Very low	34.4	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	86%	0.859	S	S	*	*			trans	-58.5	161.4	176.8	-26.5	0	0	0	0	113.7
358	D	38.2	Very low	34.3	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	86%	0.857	S	S	*	*				-166.1	165.5	62.4	-101	-23	0	0	0	114.4
359	E	32.8	Very low	34.6	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	86%	0.857	S	S	*	*			trans	-38.6	158.9	178.7	-62.1	177.8	113.4	0	0	118.6
360	S	33.1	Very low	34.7	Very low	119 Å²	119	139.3 Å²	139.3	83%	0.832	87%	0.865	S	S	*	*			cis	-166.8	156.1	46.4	47.9	0	0	0	0	112.6
361	L	34.5	Very low	34.8	Very low	166 Å²	166	140.5 Å²	140.5	87%	0.869	87%	0.866	S	S	*	*			trans	-98.8	174.6	-179.6	-93	157.1	0	0	0	112.3
362	I	35.5	Very low	34.9	Very low	166 Å²	166	142.3 Å²	142.3	85%	0.851	87%	0.871	S	S	*	*			trans	95.2	128.3	161	-50.9	177.2	0	0	0	113.8
363	A	31.2	Very low	34.7	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	88%	0.875	S	S	*	*			cis	-153	160.7	19.7	0	0	0	0	0	113
364	C	31.2	Very low	34.4	Very low	124 Å²	124	142.6 Å²	142.6	84%	0.838	87%	0.874	S	S	*	*			trans	-99.1	164.2	162	-86.4	0	0	0	0	111.5
365	K	33.9	Very low	34.2	Very low	212 Å²	212	146.6 Å²	146.6	92%	0.922	88%	0.881	S	S	*	*			trans	78.7	138.2	168.8	-70	175.7	172.6	178.9	0	115.5
366	A	36	Very low	34.1	Very low	174 Å²	174	141.7 Å²	141.7	100%	1.438	88%	0.876	S	S	*	*			cis	-131.3	0	25.3	0	0	0	0	0	112.5

Retrieved 366 of 366 residues in 1582.7 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).