A0A090MF14_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090MF14, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	43.3	Very low	245 Å²	245	151.6 Å²	151.6	100%	1.207	77%	0.769	S	S	*	*				0	101	0	-73.7	165.6	168.8	0	0	108.1
2	R	33.5	Very low	43.4	Very low	253 Å²	253	151 Å²	151	96%	0.955	77%	0.767	S	S	*	*			trans	-102	110	169.1	-96.2	-178.4	174.3	166.1	-1.7	106.2	M4	R2-M4 PolarHBondContact O-N 3.19Å
3	V	37.2	Very low	43.1	Very low	139 Å²	139	147 Å²	147	84%	0.842	75%	0.748	S	S	*	*			trans	-71.6	110	173.5	178.1	0	0	0	0	106.8	A5	V3-A5 PolarHBondContact O-N 3.18Å
4	M	39.4	Very low	43.2	Very low	181 Å²	181	140.7 Å²	140.7	89%	0.892	72%	0.724	S	S	*	*			trans	-76.2	106	168.3	-111.8	167.3	52.2	0	0	107.3	R2	R2-M4 PolarHBondContact O-N 3.19Å
5	A	45.8	Very low	43.1	Very low	77 Å²	77	133.7 Å²	133.7	64%	0.636	70%	0.701	S	S	*	*			trans	-67.9	146.9	168.4	0	0	0	0	0	110.1	V3 R7	V3-A5 PolarHBondContact O-N 3.18Å; A5-R7 PolarHBondContact O-N 2.65Å
6	P	45.5	Very low	43.2	Very low	86 Å²	86	128.4 Å²	128.4	56%	0.558	68%	0.682	S	S	*	*			trans	-73.7	110.6	-173.7	29	-30.8	0	0	0	110.3	T8	P6-T8 PolarHBondContact O-N 2.74Å
7	R	51.3	Low	43.1	Very low	218 Å²	218	127.3 Å²	127.3	82%	0.823	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-7.1	175.7	-83.6	-180	164.9	142.2	-5.3	114.1	A5	A5-R7 PolarHBondContact O-N 2.65Å
8	T	51.5	Low	43	Very low	109 Å²	109	123.2 Å²	123.2	67%	0.669	66%	0.662	S	S	*	*	H	α-helix	trans	-82.7	-23.5	179.6	31	0	0	0	0	113.8	P6	P6-T8 PolarHBondContact O-N 2.74Å
9	L	45.6	Very low	42.8	Very low	113 Å²	113	120.9 Å²	120.9	59%	0.592	65%	0.65	S	S	*	*	H	α-helix	trans	-76.9	-28.2	178.7	-130.2	97	0	0	0	113	L13	L9-L13 HydrophobicContact CD2-CD1 4.31Å; L9-L13 PolarHBondContact O-N 2.92Å
10	I	45.8	Very low	42.7	Very low	114 Å²	114	119.1 Å²	119.1	59%	0.585	64%	0.643	S	S	*	*	H	α-helix	trans	-72.3	-31.7	-174.4	-63.8	173	0	0	0	111.3	S14	I10-S14 WeakPolarHBondContact O-CB 3.34Å; I10-S14 PolarHBondContact O-N 3.04Å; I10-S14 PolarHBondContact O-OG 3.28Å
11	L	47.1	Very low	42.5	Very low	133 Å²	133	121.3 Å²	121.3	70%	0.696	65%	0.649	S	S	*	*	H	α-helix	trans	-74.3	-37.4	-178.1	-76.8	162.7	0	0	0	113.3	S14 G15	L11-S14 PolarHBondContact O-N 3.48Å; L11-G15 PolarHBondContact O-N 3.08Å
12	L	44.9	Very low	43	Very low	144 Å²	144	113.8 Å²	113.8	75%	0.754	62%	0.617	S	S	*	*	H	α-helix	trans	-70	-40.6	177.1	-75.8	164.8	0	0	0	111.9	S14 G15 A16	L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 2.96Å; L12-G15 PolarHBondContact O-N 3.46Å; L12-A16 PolarHBondContact O-N 3.33Å
13	L	39.7	Very low	43.7	Very low	99 Å²	99	104.3 Å²	104.3	52%	0.518	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-34.6	172.3	-80.9	158.2	0	0	0	112	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.31Å; L9-L13 PolarHBondContact O-N 2.92Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.11Å; L13-L17 PolarHBondContact O-N 2.91Å
14	S	43.6	Very low	44.6	Very low	59 Å²	59	100.9 Å²	100.9	41%	0.413	57%	0.568	S	S	.	*	H	α-helix	trans	-67.9	-37.6	175.7	-55.2	0	0	0	0	112.3	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.34Å; I10-S14 PolarHBondContact O-N 3.04Å; I10-S14 PolarHBondContact O-OG 3.28Å; L11-S14 PolarHBondContact O-N 3.48Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 2.96Å; S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.22Å
15	G	42.7	Very low	46.4	Very low	36 Å²	36	93.6 Å²	93.6	37%	0.371	54%	0.539	S	S	.	.	H	α-helix	trans	-68.5	-42.5	176.2	0	0	0	0	0	112.8	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.08Å; L12-G15 PolarHBondContact O-N 3.46Å; G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 PolarHBondContact O-N 2.88Å; G15-L19 VanDerWaalsContact O-N 3.14Å
16	A	44.6	Very low	48.6	Very low	49 Å²	49	92.2 Å²	92.2	41%	0.405	53%	0.525	S	S	.	.	H	α-helix	trans	-67.1	-44.5	175.5	0	0	0	0	0	112.1	L12 L19 T20	L12-A16 PolarHBondContact O-N 3.33Å; A16-L19 PolarHBondContact O-N 2.98Å; A16-T20 WeakPolarHBondContact O-CG2 3.23Å; A16-T20 PolarHBondContact O-N 2.96Å; A16-T20 PolarHBondContact O-OG1 3.38Å; A16-T20 VanDerWaalsContact O-OG1 3.14Å
17	L	40.3	Very low	51	Low	109 Å²	109	89.5 Å²	89.5	57%	0.571	51%	0.505	S	S	*	.	H	α-helix	trans	-64.3	-43.7	177.8	-78.4	163.3	0	0	0	112	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.11Å; L13-L17 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 3.03Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-N 3.35Å; L17-T20 PolarHBondContact O-OG1 3.02Å; L17-E21 WeakPolarHBondContact O-CB 3.32Å; L17-E21 PolarHBondContact O-N 3.36Å
18	A	42	Very low	53.2	Low	53 Å²	53	80.2 Å²	80.2	44%	0.438	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-38.3	177.7	0	0	0	0	0	112.3	S14 T22	S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.22Å; A18-T22 VanDerWaalsContact O-CG2 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.34Å; A18-T22 PolarHBondContact O-N 3.43Å; A18-T22 PolarHBondContact O-OG1 3.29Å
19	L	39.2	Very low	55.5	Low	80 Å²	80	75 Å²	75	42%	0.419	44%	0.441	S	S	.	.	H	α-helix	trans	-67.2	-46	173.6	-102.6	99	0	0	0	111.7	G15 A16 L17 E21 T22 W23	G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 PolarHBondContact O-N 2.88Å; G15-L19 VanDerWaalsContact O-N 3.14Å; A16-L19 PolarHBondContact O-N 2.98Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 3.03Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 3.39Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-N 3.46Å; L19-T22 VanDerWaalsContact O-N 3.14Å; L19-T22 PolarHBondContact O-OG1 2.97Å; L19-W23 HydrophobicContact CD2-CZ2 4.33Å; L19-W23 PolarHBondContact O-N 2.96Å
20	T	41	Very low	58	Low	85 Å²	85	72 Å²	72	52%	0.521	42%	0.422	S	S	.	.	H	α-helix	trans	-62.6	-35.4	179.3	52	0	0	0	0	113.1	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.23Å; A16-T20 PolarHBondContact O-N 2.96Å; A16-T20 PolarHBondContact O-OG1 3.38Å; A16-T20 VanDerWaalsContact O-OG1 3.14Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-N 3.35Å; L17-T20 PolarHBondContact O-OG1 3.02Å; T20-T22 VanDerWaalsContact C-N 3.32Å
21	E	38.2	Very low	60.5	Low	165 Å²	165	66.9 Å²	66.9	77%	0.771	40%	0.395	S	S	*	.	H	α-helix	trans	-71.8	-27.6	177.7	-134.1	177.7	-172.7	0	0	112.1	L17 L19	L17-E21 WeakPolarHBondContact O-CB 3.32Å; L17-E21 PolarHBondContact O-N 3.36Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 3.39Å
22	T	44	Very low	63	Low	87 Å²	87	64.6 Å²	64.6	53%	0.534	38%	0.38	S	S	.	.	H	α-helix	trans	-78.2	-23.2	178.1	53.5	0	0	0	0	114.2	A18 L19 T20	A18-T22 VanDerWaalsContact O-CG2 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.34Å; A18-T22 PolarHBondContact O-N 3.43Å; A18-T22 PolarHBondContact O-OG1 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-N 3.46Å; L19-T22 VanDerWaalsContact O-N 3.14Å; L19-T22 PolarHBondContact O-OG1 2.97Å; T20-T22 VanDerWaalsContact C-N 3.32Å
23	W	47.8	Very low	65.5	Low	54 Å²	54	58 Å²	58	21%	0.205	35%	0.345	C	S	.	.	H	α-helix	trans	-87.5	-41.1	-172.7	-73	33	0	0	0	112.3	L19 G25 E236 E288	L19-W23 HydrophobicContact CD2-CZ2 4.33Å; L19-W23 PolarHBondContact O-N 2.96Å; W23-G25 PolarHBondContact O-N 3.41Å; W23-E236 HydrophobicContact CD2-CG 4.47Å; W23-E236 HydrophobicContact CE3-CG 4.25Å; W23-E236 HydrophobicContact CH2-CB 4.32Å; W23-E236 HydrophobicContact CH2-CG 3.39Å; W23-E236 HydrophobicContact CZ2-CG 3.57Å; W23-E236 HydrophobicContact CZ3-CB 4.22Å; W23-E236 HydrophobicContact CZ3-CG 3.72Å; W23-E236 WeakPolarHBondContact CZ3-O 3.27Å; W23-E288 HydrophobicContact CB-CB 4.35Å; W23-E288 HydrophobicContact CE3-CB 4.18Å
24	A	56.5	Low	68.4	Low	67 Å²	67	55.2 Å²	55.2	55%	0.554	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	105.7	-175.8	0	0	0	0	0	112.4
25	G	77.3	Confident	71	Confident	28 Å²	28	52.5 Å²	52.5	29%	0.289	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	12.1	162.8	0	0	0	0	0	116.6	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.41Å; G25-G128 CarbonylContact O-C 3.48Å; G25-P129 WeakPolarHBondContact O-CA 3.49Å
26	S	91.8	Very high	73.6	Confident	48 Å²	48	52.3 Å²	52.3	34%	0.336	31%	0.305	S	S	.	.			trans	-84.8	145.2	163.1	-61.2	0	0	0	0	109.7	V127	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.07Å
27	H	96	Very high	76.2	Confident	30 Å²	30	50.9 Å²	50.9	14%	0.139	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.5	-179.9	-67.2	-77.1	0	0	0	111	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.22Å; H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 3.99Å; H27-D53 IonicContact CG-OD2 3.14Å; H27-D53 IonicContact ND1-OD1 2.59Å; H27-D53 IonicContact ND1-OD2 3.45Å; H27-D53 PolarHBondContact ND1-OD2 3.47Å; H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.87Å; H27-V127 PolarHBondContact O-N 2.87Å; H27-L192 HydrophobicContact CB-CD1 4.42Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.03Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.36Å
28	S	97.9	Very high	78.8	Confident	23 Å²	23	49.5 Å²	49.5	16%	0.161	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.4	179.3	67.3	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.43Å; S28-D53 PolarHBondContact N-OD1 3.35Å; S28-D53 PolarHBondContact O-N 2.67Å; S28-C125 CarbonylContact C-O 3.58Å; S28-C125 WeakPolarHBondContact CA-O 3.28Å; S28-D126 WeakPolarHBondContact CB-OD1 3.33Å
29	M	98.7	Very high	81.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.6	166.1	-171.9	171.2	60.4	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 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.11Å; M29-Y51 WeakPolarHBondContact CA-O 3.22Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.43Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; M29-C125 PolarHBondContact N-O 2.93Å; M29-C125 PolarHBondContact O-N 3.33Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.25Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.33Å; M29-L192 HydrophobicContact CB-CB 4.09Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 4.05Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.45Å; M29-L192 HydrophobicContact SD-CB 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.7	Very high	83.6	Confident	48 Å²	48	50.1 Å²	50.1	18%	0.181	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.9	-176.5	-56.4	-62	-177.5	78.9	5	110.8	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; R30-Y51 PolarHBondContact N-O 3.5Å; R30-Y51 PolarHBondContact O-N 2.89Å; R30-D126 IonicContact CZ-OD1 3.69Å; R30-D126 IonicContact NE-OD1 2.8Å; R30-D126 PolarHBondContact NE-OD1 3.47Å; R30-D126 VanDerWaalsContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.69Å; R30-D126 PolarHBondContact NH2-OD1 2.95Å; R30-D126 IonicContact NH2-OD2 3.3Å; R30-D126 PolarHBondContact NH2-OD2 3.32Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.27Å; R30-Y137 PolarHBondContact NH2-OH 3.31Å
31	Y	98.8	Very high	86.1	Confident	7 Å²	7	56.3 Å²	56.3	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.7	170	-69.5	-90.9	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.11Å; Y31-Y33 HydrophobicContact CD1-CE1 4.37Å; Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.16Å; Y31-F57 AromaticContact CE1-CZ 3.97Å; Y31-F57 HydrophobicContact CE1-CZ 3.97Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; Y31-V58 HydrophobicContact CE1-CG1 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.38Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 HydrophobicContact CD2-CE1 4.48Å; Y31-Y123 AromaticContact CD2-CE2 3.77Å; Y31-Y123 HydrophobicContact CD2-CE2 3.77Å; Y31-Y123 AromaticContact CD2-CZ 3.74Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.24Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 2.9Å; Y31-Y123 PolarHBondContact O-N 3.29Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å
32	F	98.9	Very high	88.6	Confident	85 Å²	85	51.3 Å²	51.3	37%	0.373	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.4	177.9	-57.3	-96.1	0	0	0	109.1	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-A48 WeakPolarHBondContact O-CA 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.8Å; F32-V49 PolarHBondContact O-N 3.29Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; F32-R121 CarbonylContact C-O 3.55Å; F32-R121 WeakPolarHBondContact CA-O 3.28Å; F32-M122 HydrophobicContact CD1-CB 3.93Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.05Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.94Å
33	Y	98.8	Very high	91	Very high	7 Å²	7	52 Å²	52	3%	0.027	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.8	176.5	-57.6	-19.2	0	0	0	109.4	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.37Å; Y33-F46 HydrophobicContact CD1-CZ 4.2Å; Y33-F46 HydrophobicContact CD2-CE2 4.48Å; Y33-F46 HydrophobicContact CD2-CZ 4.18Å; Y33-F46 HydrophobicContact CG-CE2 4.21Å; Y33-F46 AromaticContact CG-CZ 3.9Å; Y33-F46 HydrophobicContact CG-CZ 3.9Å; Y33-I47 WeakPolarHBondContact CA-O 3.41Å; Y33-A48 HydrophobicContact CD1-CB 3.27Å; Y33-A48 HydrophobicContact CE1-CB 3.38Å; Y33-A48 HydrophobicContact CG-CB 4.3Å; Y33-Y91 HydrophobicContact CE1-CD1 4.1Å; Y33-Y91 AromaticContact CE1-CE1 3.83Å; Y33-Y91 HydrophobicContact CE1-CE1 3.83Å; Y33-Y91 AromaticContact CZ-CE1 4Å; Y33-Y91 WeakPolarHBondContact OH-CE1 2.94Å; Y33-Q94 HydrophobicContact CD2-CG 3.53Å; Y33-Q94 HydrophobicContact CE2-CB 4.37Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; Y33-Q94 HydrophobicContact CG-CG 4.46Å; Y33-Q120 CarbonylContact O-C 3.58Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.32Å; Y33-R121 PolarHBondContact N-O 3.03Å; Y33-R121 PolarHBondContact O-N 3.38Å; Y33-Y123 HydrophobicContact CD2-CE1 4.05Å; Y33-Y123 HydrophobicContact CE1-CE1 4.17Å; Y33-Y123 HydrophobicContact CE2-CD1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.41Å; Y33-Y123 HydrophobicContact CE2-CE1 3.41Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.41Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.93Å; Y33-Y123 PolarHBondContact OH-OH 2.74Å
34	T	98.9	Very high	93.3	Very high	40 Å²	40	50.7 Å²	50.7	25%	0.245	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124.6	174.7	-60	0	0	0	0	108.5	V36 F46 I47 I118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.02Å; T34-F46 WeakPolarHBondContact O-CA 3.48Å; T34-I47 PolarHBondContact N-O 2.93Å; T34-I47 PolarHBondContact O-N 3.34Å; T34-I118 HydrophobicContact CG2-CG2 3.91Å; T34-I119 WeakPolarHBondContact CA-O 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å
35	A	98.7	Very high	95.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.8	172.1	0	0	0	0	0	110.3	H45 F46 D98 L102 I118 I119	A35-H45 CarbonylContact C-O 3.58Å; A35-H45 VanDerWaalsContact CA-O 3.25Å; A35-H45 WeakPolarHBondContact CA-O 3.49Å; A35-F46 HydrophobicContact CB-CD2 4.03Å; A35-D98 HydrophobicContact CB-CB 3.65Å; A35-L102 HydrophobicContact CB-CD1 4.05Å; A35-I118 WeakPolarHBondContact O-CA 3.49Å; A35-I119 HydrophobicContact CB-CG2 3.65Å; A35-I119 PolarHBondContact N-O 2.88Å; A35-I119 PolarHBondContact O-N 2.84Å
36	V	98.5	Very high	96.3	Very high	33 Å²	33	47.4 Å²	47.4	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.6	-177.6	-175.7	0	0	0	0	108.9	T34 P44 H45 I118	T34-V36 HydrophobicContact CG2-CG2 4.02Å; V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.37Å; V36-H45 PolarHBondContact N-O 3.3Å; V36-H45 PolarHBondContact O-N 3.5Å; V36-I118 HydrophobicContact CG1-CG1 4.14Å; V36-I118 HydrophobicContact CG2-CD1 4.35Å; V36-I118 HydrophobicContact CG2-CG1 4.1Å; V36-I118 HydrophobicContact CG2-CG2 4.27Å
37	S	97.7	Very high	96.7	Very high	18 Å²	18	47.3 Å²	47.3	13%	0.126	26%	0.262	C	S	.	.			trans	-66.2	143.7	171.2	60.2	0	0	0	0	111	S116 H117	S37-S116 PolarHBondContact O-OG 2.83Å; S37-H117 PolarHBondContact N-O 2.91Å; S37-H117 WeakPolarHBondContact OG-CA 3.47Å; S37-H117 PolarHBondContact OG-N 2.93Å; S37-H117 PolarHBondContact OG-O 2.94Å
38	R	95.8	Very high	96.8	Very high	80 Å²	80	45.9 Å²	45.9	30%	0.302	26%	0.256	S	S	.	.			trans	-135.5	77.2	-177.8	-59.8	172.6	176.5	176.7	-3.9	110.5	G40 R41 H45 D63	R38-G40 PolarHBondContact O-N 3.47Å; R38-R41 HydrophobicContact CB-CB 4.06Å; R38-R41 PolarHBondContact O-N 2.91Å; R38-H45 PolarHBondContact NH2-ND1 2.87Å; R38-D63 IonicContact CZ-OD2 2.81Å; R38-D63 IonicContact NH1-OD1 3.66Å; R38-D63 IonicContact NH1-OD2 3.37Å; R38-D63 PolarHBondContact NH1-OD2 3.39Å; R38-D63 IonicContact NH2-OD2 2.98Å; R38-D63 PolarHBondContact NH2-OD2 3.38Å; R38-D63 VanDerWaalsContact NH2-OD2 3.11Å
39	P	91.9	Very high	96.8	Very high	58 Å²	58	46 Å²	46	38%	0.377	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	129	-177.3	-26.8	33.9	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.29Å; P39-E113 WeakPolarHBondContact CB-O 3.27Å; P39-E113 VanDerWaalsContact CG-O 3.3Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; P39-G115 WeakPolarHBondContact CG-O 3.48Å
40	G	90.7	Very high	96.8	Very high	88 Å²	88	46 Å²	46	91%	0.907	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	2.6	-178.7	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.47Å
41	R	92.2	Very high	96.8	Very high	216 Å²	216	47 Å²	47	82%	0.815	26%	0.26	S	S	*	.	S	Bend	trans	-123.1	22.9	-179.8	-58.3	-174.9	-179.8	-175.3	0.5	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.06Å; R38-R41 PolarHBondContact O-N 2.91Å; P39-R41 PolarHBondContact O-N 3.29Å
42	G	90.9	Very high	96.8	Very high	60 Å²	60	46.7 Å²	46.7	62%	0.619	26%	0.258	S	S	*	.	S	Bend	trans	99.1	-152.2	177.4	0	0	0	0	0	113.5
43	E	94.1	Very high	96.7	Very high	101 Å²	101	44 Å²	44	47%	0.472	25%	0.248	S	C	.	.	S	Bend	trans	-74.9	158.9	-178.4	-66.1	-57	161.4	0	0	112.6	H45 R99	E43-H45 PolarHBondContact O-N 2.89Å; E43-R99 VanDerWaalsContact CD-NE 3.26Å; E43-R99 VanDerWaalsContact CD-NH2 3.3Å; E43-R99 IonicContact OE1-CZ 3.91Å; E43-R99 IonicContact OE1-NE 3.81Å; E43-R99 PolarHBondContact OE1-NE 3.15Å; E43-R99 IonicContact OE1-NH1 3.56Å; E43-R99 IonicContact OE1-NH2 3.93Å; E43-R99 PolarHBondContact OE1-NH2 3.34Å; E43-R99 VanDerWaalsContact OE2-CD 3.28Å; E43-R99 WeakPolarHBondContact OE2-CD 3.38Å; E43-R99 IonicContact OE2-CZ 2.75Å; E43-R99 IonicContact OE2-NE 3.88Å; E43-R99 PolarHBondContact OE2-NE 3.05Å; E43-R99 IonicContact OE2-NH2 2.62Å; E43-R99 PolarHBondContact OE2-NH2 3.35Å
44	P	96.9	Very high	96.5	Very high	27 Å²	27	46.6 Å²	46.6	18%	0.175	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-55.8	134.8	170.7	-24.9	35.4	0	0	0	111.3	V36 R99 L102	V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.37Å; P44-R99 HydrophobicContact CG-CB 4.26Å; P44-R99 HydrophobicContact CG-CG 4.15Å; P44-L102 HydrophobicContact CB-CD1 3.63Å; P44-L102 HydrophobicContact CG-CD1 3.8Å
45	H	98.4	Very high	96.4	Very high	23 Å²	23	46 Å²	46	11%	0.106	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.2	173.8	174.6	-148.3	0	0	0	109.8	A35 V36 R38 E43 I47 D61 S62 D63	A35-H45 CarbonylContact C-O 3.58Å; A35-H45 VanDerWaalsContact CA-O 3.25Å; A35-H45 WeakPolarHBondContact CA-O 3.49Å; V36-H45 PolarHBondContact N-O 3.3Å; V36-H45 PolarHBondContact O-N 3.5Å; R38-H45 PolarHBondContact NH2-ND1 2.87Å; E43-H45 PolarHBondContact O-N 2.89Å; H45-I47 VanDerWaalsContact CE1-CD1 3.45Å; H45-I47 WeakPolarHBondContact CE1-CD1 3.36Å; H45-D61 IonicContact CD2-OD1 3.97Å; H45-D61 IonicContact CE1-OD1 2.74Å; H45-D61 IonicContact NE2-OD1 3.01Å; H45-D61 PolarHBondContact NE2-OD1 3.4Å; H45-D61 IonicContact NE2-OD2 2.68Å; H45-S62 PolarHBondContact CD2-OG 3.03Å; H45-D63 IonicContact CD2-OD1 3.46Å; H45-D63 PolarHBondContact CD2-OD1 3.2Å; H45-D63 VanDerWaalsContact CD2-OD1 3.31Å; H45-D63 IonicContact CD2-OD2 3.49Å; H45-D63 PolarHBondContact CD2-OD2 2.91Å; H45-D63 VanDerWaalsContact CD2-OD2 3.3Å; H45-D63 IonicContact CE1-OD2 3.14Å; H45-D63 IonicContact CG-OD1 3.82Å; H45-D63 IonicContact CG-OD2 3.89Å; H45-D63 IonicContact ND1-OD2 3.26Å; H45-D63 IonicContact NE2-OD2 3.37Å
46	F	98.8	Very high	96.4	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.3	-178.6	178.1	-93.5	0	0	0	110.3	Y33 T34 A35 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.2Å; Y33-F46 HydrophobicContact CD2-CE2 4.48Å; Y33-F46 HydrophobicContact CD2-CZ 4.18Å; Y33-F46 HydrophobicContact CG-CE2 4.21Å; Y33-F46 AromaticContact CG-CZ 3.9Å; Y33-F46 HydrophobicContact CG-CZ 3.9Å; T34-F46 WeakPolarHBondContact O-CA 3.48Å; A35-F46 HydrophobicContact CB-CD2 4.03Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; F46-F60 AromaticContact CD1-CD1 3.75Å; F46-F60 HydrophobicContact CD1-CD1 3.75Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.96Å; F46-F60 HydrophobicContact CE1-CD1 3.96Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 PolarHBondContact O-N 3.4Å; F46-S62 PolarHBondContact O-OG 2.92Å; F46-Q94 HydrophobicContact CE2-CB 4.34Å; F46-Q94 HydrophobicContact CE2-CG 3.72Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.66Å; F46-A95 HydrophobicContact CB-CB 3.73Å; F46-A95 HydrophobicContact CD1-CB 3.74Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CE1-CB 4.38Å; F46-A95 HydrophobicContact CG-CB 3.58Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.41Å
47	I	98.8	Very high	96.4	Very high	46 Å²	46	46.9 Å²	46.9	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.5	173	-56.3	171.5	0	0	0	108.1	Y33 T34 H45 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.41Å; T34-I47 PolarHBondContact N-O 2.93Å; T34-I47 PolarHBondContact O-N 3.34Å; H45-I47 VanDerWaalsContact CE1-CD1 3.45Å; H45-I47 WeakPolarHBondContact CE1-CD1 3.36Å; I47-V49 HydrophobicContact CG2-CG1 4.35Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å
48	A	98.8	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.7	170.5	0	0	0	0	0	110.3	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.47Å; Y33-A48 HydrophobicContact CD1-CB 3.27Å; Y33-A48 HydrophobicContact CE1-CB 3.38Å; Y33-A48 HydrophobicContact CG-CB 4.3Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.98Å; A48-R59 CarbonylContact O-C 3.55Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.39Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 2.95Å; A48-F60 PolarHBondContact O-N 2.96Å; A48-Y91 HydrophobicContact CB-CD1 3.65Å; A48-Y91 HydrophobicContact CB-CE1 3.76Å; A48-Y91 HydrophobicContact CB-CG 4.41Å
49	V	98.8	Very high	96.5	Very high	26 Å²	26	46 Å²	46	16%	0.158	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147	173.1	-62.4	0	0	0	0	109.8	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.16Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.8Å; F32-V49 PolarHBondContact O-N 3.29Å; I47-V49 HydrophobicContact CG2-CG1 4.35Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; V49-R59 HydrophobicContact CG1-CG 4.29Å
50	G	98.7	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.6	176	0	0	0	0	0	111	R30 F57 V58	R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.33Å; G50-F57 PolarHBondContact O-N 2.83Å; G50-V58 PolarHBondContact N-O 3.05Å; G50-V58 PolarHBondContact O-N 2.8Å
51	Y	98.6	Very high	97.2	Very high	68 Å²	68	40.6 Å²	40.6	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.9	-179.1	-75.2	-103.1	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.22Å; R30-Y51 PolarHBondContact N-O 3.5Å; R30-Y51 PolarHBondContact O-N 2.89Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.09Å; Y51-Q56 HydrophobicContact CE2-CG 3.84Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	98.3	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.4	156.8	176.8	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.43Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; V52-D54 PolarHBondContact O-N 2.82Å; V52-T55 PolarHBondContact N-O 2.95Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 3.14Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.94Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	96.1	Very high	97.8	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-124.9	-166.5	-51.5	-39.6	0	0	0	110.1	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.22Å; H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 3.99Å; H27-D53 IonicContact CG-OD2 3.14Å; H27-D53 IonicContact ND1-OD1 2.59Å; H27-D53 IonicContact ND1-OD2 3.45Å; H27-D53 PolarHBondContact ND1-OD2 3.47Å; S28-D53 PolarHBondContact N-OD1 3.35Å; S28-D53 PolarHBondContact O-N 2.67Å; D53-T55 VanDerWaalsContact C-N 3.35Å
54	D	95.8	Very high	98	Very high	62 Å²	62	30.1 Å²	30.1	33%	0.332	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	8.6	179	-60.1	-56.3	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.82Å; D54-Y233 HydrophobicContact CB-CE2 4.08Å; D54-P234 VanDerWaalsContact OD2-CB 3.25Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 HydrophobicContact CB-CB 4.26Å; D54-A235 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 PolarHBondContact OD2-N 2.92Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	96.6	Very high	98	Very high	28 Å²	28	34.4 Å²	34.4	17%	0.172	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.9	-177.2	-61.2	0	0	0	0	111.8	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 2.95Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 3.14Å; D53-T55 VanDerWaalsContact C-N 3.35Å; T55-F57 PolarHBondContact O-N 3.4Å; T55-A73 HydrophobicContact CG2-CB 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.09Å; T55-Y233 PolarHBondContact OG1-OH 3.3Å
56	Q	97.7	Very high	97.9	Very high	52 Å²	52	37.1 Å²	37.1	24%	0.243	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	130.1	173	-165.9	-179.7	3.7	0	0	110.5	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.09Å; Y51-Q56 HydrophobicContact CE2-CG 3.84Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 2.96Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.4Å; Q56-R72 CarbonylContact O-C 3.57Å
57	F	98.1	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-19.8	179.5	76.5	-88.2	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.43Å; Y31-F57 AromaticContact CE1-CZ 3.97Å; Y31-F57 HydrophobicContact CE1-CZ 3.97Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; G50-F57 WeakPolarHBondContact O-CD1 3.33Å; G50-F57 PolarHBondContact O-N 2.83Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; T55-F57 PolarHBondContact O-N 3.4Å; F57-R72 PolarHBondContact O-N 3.18Å; F57-A73 HydrophobicContact CB-CB 4.08Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.91Å; F57-W75 AromaticContact CD1-CH2 3.96Å; F57-W75 HydrophobicContact CD1-CH2 3.96Å; F57-W75 AromaticContact CD2-CH2 3.94Å; F57-W75 HydrophobicContact CD2-CH2 3.94Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.12Å; F57-V76 HydrophobicContact CB-CG1 4.44Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.44Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.41Å; F57-Y195 AromaticContact CE2-CE2 3.84Å; F57-Y195 HydrophobicContact CE2-CE2 3.84Å; F57-Y195 AromaticContact CE2-CZ 3.98Å; F57-Y195 HydrophobicContact CZ-CD2 4.44Å; F57-Y195 AromaticContact CZ-CE2 3.86Å; F57-Y195 HydrophobicContact CZ-CE2 3.86Å
58	V	98.4	Very high	97.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	148.4	179.7	65.1	0	0	0	0	111.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 3.98Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; G50-V58 PolarHBondContact N-O 3.05Å; G50-V58 PolarHBondContact O-N 2.8Å; Q56-V58 PolarHBondContact NE2-O 2.96Å; V58-E70 WeakPolarHBondContact CA-O 3.44Å; V58-W84 HydrophobicContact CG2-CZ3 4.09Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.04Å; V58-Y91 HydrophobicContact CG2-CE2 4.18Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.35Å
59	R	98.4	Very high	97.7	Very high	80 Å²	80	44 Å²	44	30%	0.302	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.2	170.4	-179	177.5	171.4	118.5	2.2	110.4	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.55Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.39Å; V49-R59 HydrophobicContact CG1-CG 4.29Å; R59-D61 IonicContact CZ-OD2 3.48Å; R59-D61 IonicContact NH2-OD2 2.73Å; R59-D61 PolarHBondContact NH2-OD2 3.34Å; R59-E70 PolarHBondContact N-O 3.46Å; R59-E70 PolarHBondContact O-N 2.93Å; R59-R72 HydrophobicContact CB-CG 3.94Å
60	F	98.8	Very high	97.6	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141	163.9	174.6	-81.6	0	0	0	108.8	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.75Å; F46-F60 HydrophobicContact CD1-CD1 3.75Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.96Å; F46-F60 HydrophobicContact CE1-CD1 3.96Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 2.95Å; A48-F60 PolarHBondContact O-N 2.96Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.41Å; F60-Y91 HydrophobicContact CB-CD1 4.41Å; F60-Y91 HydrophobicContact CB-CD2 3.52Å; F60-Y91 HydrophobicContact CB-CE2 4Å; F60-Y91 HydrophobicContact CB-CG 3.76Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.74Å; F60-Y91 HydrophobicContact CD2-CD2 3.74Å; F60-Y91 HydrophobicContact CD2-CG 4.03Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4Å
61	D	98.6	Very high	97.6	Very high	29 Å²	29	47.6 Å²	47.6	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	119.4	179.6	-165.3	-36	0	0	0	109.2	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 3.97Å; H45-D61 IonicContact CE1-OD1 2.74Å; H45-D61 IonicContact NE2-OD1 3.01Å; H45-D61 PolarHBondContact NE2-OD1 3.4Å; H45-D61 IonicContact NE2-OD2 2.68Å; R59-D61 IonicContact CZ-OD2 3.48Å; R59-D61 IonicContact NH2-OD2 2.73Å; R59-D61 PolarHBondContact NH2-OD2 3.34Å; D61-D63 PolarHBondContact O-N 3.04Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-A64 HydrophobicContact CB-CB 4.3Å; D61-A64 WeakPolarHBondContact O-CB 3.35Å; D61-A64 PolarHBondContact O-N 2.95Å
62	S	98.3	Very high	97.5	Very high	35 Å²	35	50.1 Å²	50.1	25%	0.245	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-21.4	-178.3	70.6	0	0	0	0	113.6	H45 F46 A64 P67	H45-S62 PolarHBondContact CD2-OG 3.03Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 PolarHBondContact O-N 3.4Å; F46-S62 PolarHBondContact O-OG 2.92Å; S62-A64 VanDerWaalsContact C-N 3.33Å; S62-P67 WeakPolarHBondContact O-CG 3.43Å
63	D	97.4	Very high	97.4	Very high	87 Å²	87	50.3 Å²	50.3	47%	0.465	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.9	180	-72.3	3.3	0	0	0	112	R38 H45 D61	R38-D63 IonicContact CZ-OD2 2.81Å; R38-D63 IonicContact NH1-OD1 3.66Å; R38-D63 IonicContact NH1-OD2 3.37Å; R38-D63 PolarHBondContact NH1-OD2 3.39Å; R38-D63 IonicContact NH2-OD2 2.98Å; R38-D63 PolarHBondContact NH2-OD2 3.38Å; R38-D63 VanDerWaalsContact NH2-OD2 3.11Å; H45-D63 IonicContact CD2-OD1 3.46Å; H45-D63 PolarHBondContact CD2-OD1 3.2Å; H45-D63 VanDerWaalsContact CD2-OD1 3.31Å; H45-D63 IonicContact CD2-OD2 3.49Å; H45-D63 PolarHBondContact CD2-OD2 2.91Å; H45-D63 VanDerWaalsContact CD2-OD2 3.3Å; H45-D63 IonicContact CE1-OD2 3.14Å; H45-D63 IonicContact CG-OD1 3.82Å; H45-D63 IonicContact CG-OD2 3.89Å; H45-D63 IonicContact ND1-OD2 3.26Å; H45-D63 IonicContact NE2-OD2 3.37Å; D61-D63 PolarHBondContact O-N 3.04Å; D61-D63 PolarHBondContact OD1-N 2.92Å
64	A	97.4	Very high	97.4	Very high	34 Å²	34	53.6 Å²	53.6	28%	0.281	30%	0.3	S	S	.	.	S	Bend	trans	-61.5	148.4	174.1	0	0	0	0	0	111.2	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.3Å; D61-A64 WeakPolarHBondContact O-CB 3.35Å; D61-A64 PolarHBondContact O-N 2.95Å; S62-A64 VanDerWaalsContact C-N 3.33Å; A64-S66 PolarHBondContact O-N 2.87Å; A64-S66 VanDerWaalsContact O-N 3.12Å; A64-P67 WeakPolarHBondContact O-CD 3.29Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.41Å
65	A	96.9	Very high	97.4	Very high	118 Å²	118	51.4 Å²	51.4	98%	0.975	29%	0.287	S	S	*	.	S	Bend	trans	-58	-30.6	179.8	0	0	0	0	0	113.3
66	S	96.2	Very high	97.5	Very high	79 Å²	79	50.1 Å²	50.1	55%	0.552	28%	0.278	S	S	*	.	S	Bend	trans	-134.8	89.1	171.9	-173.2	0	0	0	0	109.3	A64 R68	A64-S66 PolarHBondContact O-N 2.87Å; A64-S66 VanDerWaalsContact O-N 3.12Å; S66-R68 PolarHBondContact O-N 3.29Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	97.1	Very high	97.4	Very high	36 Å²	36	53.4 Å²	53.4	23%	0.234	29%	0.294	C	S	.	.			trans	-64.7	111.2	-175.1	-24.2	35.5	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; S62-P67 WeakPolarHBondContact O-CG 3.43Å; A64-P67 WeakPolarHBondContact O-CD 3.29Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.41Å; P67-K92 WeakPolarHBondContact O-CE 3.38Å; P67-K92 PolarHBondContact O-NZ 3.17Å
68	R	97.8	Very high	97.2	Very high	152 Å²	152	59.3 Å²	59.3	57%	0.574	32%	0.322	S	S	*	.			trans	-146.3	159.8	177.5	63.9	-176.3	174.1	173.9	-0.3	110.9	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.41Å; S66-R68 PolarHBondContact O-N 3.29Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-E70 HydrophobicContact CG-CG 4.29Å; R68-E70 PolarHBondContact O-N 2.94Å; R68-T88 HydrophobicContact CB-CG2 4.23Å
69	G	97.4	Very high	97.1	Very high	5 Å²	5	59.9 Å²	59.9	5%	0.052	32%	0.324	C	S	.	.			trans	-65.9	128.5	168.6	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 3.41Å
70	E	97.8	Very high	97	Very high	56 Å²	56	57.5 Å²	57.5	26%	0.262	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133	-178.1	-64.6	179.3	161.9	0	0	110	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.44Å; R59-E70 PolarHBondContact N-O 3.46Å; R59-E70 PolarHBondContact O-N 2.93Å; R68-E70 HydrophobicContact CG-CG 4.29Å; R68-E70 PolarHBondContact O-N 2.94Å; E70-R72 IonicContact OE2-CZ 3.93Å; E70-R72 IonicContact OE2-NH2 3.53Å; E70-R72 PolarHBondContact OE2-NH2 3.48Å
71	P	97.9	Very high	96.9	Very high	47 Å²	47	61.4 Å²	61.4	31%	0.305	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143.8	173.1	28.7	-34.2	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.77Å; P71-E77 HydrophobicContact CB-CG 3.69Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.79Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å
72	R	97.5	Very high	96.8	Very high	120 Å²	120	66.6 Å²	66.6	45%	0.453	37%	0.373	S	S	.	.			trans	-125.8	0.4	174	-60.4	-64.7	171.2	177.5	-2	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.4Å; Q56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 3.18Å; R59-R72 HydrophobicContact CB-CG 3.94Å; E70-R72 IonicContact OE2-CZ 3.93Å; E70-R72 IonicContact OE2-NH2 3.53Å; E70-R72 PolarHBondContact OE2-NH2 3.48Å
73	A	96.1	Very high	96.8	Very high	4 Å²	4	65.2 Å²	65.2	3%	0.033	36%	0.363	C	S	.	.	S	Bend	trans	-138.9	143.1	174.1	0	0	0	0	0	111.1	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.5Å; F57-A73 HydrophobicContact CB-CB 4.08Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 3.34Å; A73-V76 VanDerWaalsContact O-CG1 3.32Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 2.87Å
74	P	96	Very high	96.8	Very high	99 Å²	99	62.9 Å²	62.9	64%	0.643	35%	0.347	S	S	*	.	H	α-helix	trans	-58.2	-36.7	-177	-26.8	34.9	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 2.89Å; P74-E77 WeakPolarHBondContact O-CB 3.5Å; P74-E77 PolarHBondContact O-N 2.91Å; P74-E77 VanDerWaalsContact O-N 3.13Å
75	W	95.8	Very high	96.9	Very high	16 Å²	16	66.4 Å²	66.4	6%	0.061	36%	0.362	C	S	.	.	H	α-helix	trans	-70.7	-12.7	-175.5	52.7	-105.9	0	0	0	114.6	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.91Å; F57-W75 AromaticContact CD1-CH2 3.96Å; F57-W75 HydrophobicContact CD1-CH2 3.96Å; F57-W75 AromaticContact CD2-CH2 3.94Å; F57-W75 HydrophobicContact CD2-CH2 3.94Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.12Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 3.34Å; W75-Q78 WeakPolarHBondContact O-CG 3.43Å; W75-Q78 PolarHBondContact O-NE2 3.1Å; W75-Y195 HydrophobicContact CE3-CD1 4.15Å; W75-Y195 HydrophobicContact CE3-CG 4.4Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.53Å; W75-Y195 HydrophobicContact CZ3-CD1 3.53Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 HydrophobicContact CZ3-CE1 4.26Å; W75-Y195 AromaticContact CZ3-CG 3.54Å; W75-Y195 HydrophobicContact CZ3-CG 3.54Å; W75-N198 HydrophobicContact CB-CB 4.38Å; W75-T202 VanDerWaalsContact CD1-OG1 3.26Å; W75-L203 HydrophobicContact CD2-CD1 4.38Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å
76	V	97.3	Very high	96.9	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-97	-16	172.7	78.2	0	0	0	0	112.4	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.44Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.44Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.41Å; P71-V76 HydrophobicContact CB-CG1 3.77Å; A73-V76 VanDerWaalsContact O-CG1 3.32Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 2.87Å; P74-V76 PolarHBondContact O-N 2.89Å; V76-Q78 PolarHBondContact O-N 3.26Å; V76-E79 HydrophobicContact CG2-CG 3.85Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.25Å; V76-E79 WeakPolarHBondContact O-CG 3.23Å; V76-E79 PolarHBondContact O-N 3.23Å; V76-Y83 HydrophobicContact CG2-CE1 4.14Å; V76-W84 HydrophobicContact CG1-CH2 3.96Å; V76-W84 HydrophobicContact CG1-CZ2 4.17Å; V76-W84 HydrophobicContact CG2-CH2 4.1Å; V76-W84 HydrophobicContact CG2-CZ2 4.13Å; V76-W84 WeakPolarHBondContact O-CZ2 3.27Å; V76-Y195 HydrophobicContact CG2-CE1 4.21Å
77	E	95.6	Very high	96.9	Very high	122 Å²	122	62 Å²	62	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-62.8	-27	179.4	-66.5	-179.3	-176.5	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.69Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P74-E77 WeakPolarHBondContact O-CB 3.5Å; P74-E77 PolarHBondContact O-N 2.91Å; P74-E77 VanDerWaalsContact O-N 3.13Å; E77-E79 PolarHBondContact O-N 3.42Å
78	Q	94.6	Very high	97	Very high	124 Å²	124	61 Å²	61	58%	0.579	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.4	175.2	64.1	179.7	-11.9	0	0	114.3	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.43Å; W75-Q78 PolarHBondContact O-NE2 3.1Å; V76-Q78 PolarHBondContact O-N 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.27Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.18Å
79	E	96.7	Very high	97	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.056	30%	0.297	C	S	.	.	S	Bend	trans	-67.3	137.4	174.9	-65.7	-62.5	159.2	0	0	110.9	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.85Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.25Å; V76-E79 WeakPolarHBondContact O-CG 3.23Å; V76-E79 PolarHBondContact O-N 3.23Å; E77-E79 PolarHBondContact O-N 3.42Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 VanDerWaalsContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.44Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 PolarHBondContact O-NE1 2.98Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.4Å; E79-R194 IonicContact OE1-NE 3.55Å; E79-R194 PolarHBondContact OE1-NE 3.02Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 2.89Å; E79-R194 IonicContact OE2-CZ 3.94Å; E79-R194 IonicContact OE2-NE 3.18Å; E79-R194 IonicContact OE2-NH2 3.96Å; E79-R194 PolarHBondContact OE2-NH2 2.85Å; E79-N198 PolarHBondContact OE1-ND2 2.9Å
80	G	96	Very high	97	Very high	29 Å²	29	62.3 Å²	62.3	30%	0.299	31%	0.311	S	S	.	.			trans	-70.1	169.2	-174.5	0	0	0	0	0	114.5	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.99Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 3.18Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; G80-W84 PolarHBondContact O-N 3.1Å
81	P	96.8	Very high	97.1	Very high	85 Å²	85	59.7 Å²	59.7	55%	0.552	30%	0.299	S	S	*	.	H	α-helix	trans	-58.1	-34.3	-179.5	24.2	-33.3	0	0	0	112.8	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.25Å; P81-Y83 PolarHBondContact O-N 3.26Å; P81-W84 PolarHBondContact O-N 2.86Å; P81-D85 WeakPolarHBondContact O-CB 3.33Å; P81-D85 PolarHBondContact O-N 3.05Å
82	E	97.4	Very high	97.1	Very high	138 Å²	138	61.6 Å²	61.6	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-63.5	-32.8	179	-58.1	82.2	-178.3	0	0	112.4	G80 R86	G80-E82 PolarHBondContact O-N 2.99Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.42Å; E82-R86 PolarHBondContact O-N 2.89Å; E82-R86 VanDerWaalsContact O-N 3.1Å
83	Y	97.4	Very high	97.1	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.027	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-52.3	173.6	169.2	-91.2	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 VanDerWaalsContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.44Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 3.18Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; P81-Y83 VanDerWaalsContact C-N 3.25Å; P81-Y83 PolarHBondContact O-N 3.26Å; Y83-D85 PolarHBondContact O-N 3.23Å; Y83-R86 PolarHBondContact O-N 2.66Å; Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 3.97Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.17Å; Y83-E87 PolarHBondContact O-N 3.29Å; Y83-W191 AromaticContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CZ2 4.28Å; Y83-W191 AromaticContact CD2-CZ3 3.77Å; Y83-W191 HydrophobicContact CD2-CZ3 3.77Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 AromaticContact CE2-CH2 3.96Å; Y83-W191 HydrophobicContact CE2-CH2 3.96Å; Y83-W191 AromaticContact CE2-CZ3 3.75Å; Y83-W191 HydrophobicContact CE2-CZ3 3.75Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.17Å; Y83-Y195 PolarHBondContact OH-OH 3.04Å
84	W	98	Very high	97.2	Very high	38 Å²	38	65.2 Å²	65.2	14%	0.144	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-38	-177.3	-68	112.3	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.09Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.79Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å; V76-W84 HydrophobicContact CG1-CH2 3.96Å; V76-W84 HydrophobicContact CG1-CZ2 4.17Å; V76-W84 HydrophobicContact CG2-CH2 4.1Å; V76-W84 HydrophobicContact CG2-CZ2 4.13Å; V76-W84 WeakPolarHBondContact O-CZ2 3.27Å; E79-W84 PolarHBondContact O-NE1 2.98Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; G80-W84 PolarHBondContact O-N 3.1Å; P81-W84 PolarHBondContact O-N 2.86Å; W84-T88 WeakPolarHBondContact O-CB 3.36Å; W84-T88 PolarHBondContact O-N 3.28Å; W84-T88 PolarHBondContact O-OG1 2.84Å
85	D	98	Very high	97.3	Very high	108 Å²	108	61.3 Å²	61.3	58%	0.578	29%	0.292	S	S	*	.	H	α-helix	trans	-64.2	-46.8	174.3	-76.6	-19.9	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.33Å; P81-D85 PolarHBondContact O-N 3.05Å; Y83-D85 PolarHBondContact O-N 3.23Å; D85-T88 PolarHBondContact O-N 2.94Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.41Å; D85-Q89 PolarHBondContact O-N 2.8Å
86	R	97.3	Very high	97.4	Very high	101 Å²	101	65.6 Å²	65.6	38%	0.381	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-46.9	178.6	-175.1	-175.8	66.4	-143.7	-3.8	112	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.42Å; E82-R86 PolarHBondContact O-N 2.89Å; E82-R86 VanDerWaalsContact O-N 3.1Å; Y83-R86 PolarHBondContact O-N 2.66Å; R86-Q89 PolarHBondContact O-N 2.93Å; R86-K90 WeakPolarHBondContact O-CG 3.23Å; R86-K90 PolarHBondContact O-N 2.89Å
87	E	97.5	Very high	97.5	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.019	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-41.7	178.8	-63.8	-43.3	118.2	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 3.97Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.17Å; Y83-E87 PolarHBondContact O-N 3.29Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.88Å; E87-K90 WeakPolarHBondContact O-CB 3.05Å; E87-K90 PolarHBondContact O-N 3.34Å; E87-K90 VanDerWaalsContact O-N 3.14Å; E87-K90 IonicContact OE1-NZ 2.71Å; E87-K90 PolarHBondContact OE1-NZ 3.4Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 IonicContact OE2-NZ 2.87Å; E87-K90 PolarHBondContact OE2-NZ 3.28Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.38Å; E87-Y91 PolarHBondContact O-N 2.89Å
88	T	98.4	Very high	97.6	Very high	13 Å²	13	62.9 Å²	62.9	8%	0.08	30%	0.304	C	S	.	.	H	α-helix	trans	-57.5	-44.5	173.9	-64	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.23Å; G69-T88 PolarHBondContact N-OG1 3.41Å; W84-T88 WeakPolarHBondContact O-CB 3.36Å; W84-T88 PolarHBondContact O-N 3.28Å; W84-T88 PolarHBondContact O-OG1 2.84Å; D85-T88 PolarHBondContact O-N 2.94Å; T88-Y91 PolarHBondContact O-N 2.95Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 3.24Å
89	Q	98.3	Very high	97.7	Very high	109 Å²	109	60.1 Å²	60.1	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-37.1	177.4	-69.7	-60.2	-29.6	0	0	112.4	D85 R86 E87 K92 R93	D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.41Å; D85-Q89 PolarHBondContact O-N 2.8Å; R86-Q89 PolarHBondContact O-N 2.93Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.88Å; Q89-K92 PolarHBondContact O-N 3.35Å; Q89-R93 WeakPolarHBondContact O-CB 3.2Å; Q89-R93 PolarHBondContact O-N 3.19Å
90	K	97.4	Very high	97.7	Very high	77 Å²	77	62.8 Å²	62.8	34%	0.335	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-49.2	173.5	-73.6	172.3	179.1	172.6	0	111.3	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.23Å; R86-K90 PolarHBondContact O-N 2.89Å; E87-K90 WeakPolarHBondContact O-CB 3.05Å; E87-K90 PolarHBondContact O-N 3.34Å; E87-K90 VanDerWaalsContact O-N 3.14Å; E87-K90 IonicContact OE1-NZ 2.71Å; E87-K90 PolarHBondContact OE1-NZ 3.4Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 IonicContact OE2-NZ 2.87Å; E87-K90 PolarHBondContact OE2-NZ 3.28Å; K90-K92 PolarHBondContact O-N 3.1Å; K90-R93 PolarHBondContact O-N 3.29Å; K90-Q94 PolarHBondContact O-N 3.1Å
91	Y	98.5	Very high	97.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-43.2	178.4	-61.7	-46.8	0	0	0	112.3	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.1Å; Y33-Y91 AromaticContact CE1-CE1 3.83Å; Y33-Y91 HydrophobicContact CE1-CE1 3.83Å; Y33-Y91 AromaticContact CZ-CE1 4Å; Y33-Y91 WeakPolarHBondContact OH-CE1 2.94Å; A48-Y91 HydrophobicContact CB-CD1 3.65Å; A48-Y91 HydrophobicContact CB-CE1 3.76Å; A48-Y91 HydrophobicContact CB-CG 4.41Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.04Å; V58-Y91 HydrophobicContact CG2-CE2 4.18Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.35Å; F60-Y91 HydrophobicContact CB-CD1 4.41Å; F60-Y91 HydrophobicContact CB-CD2 3.52Å; F60-Y91 HydrophobicContact CB-CE2 4Å; F60-Y91 HydrophobicContact CB-CG 3.76Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.74Å; F60-Y91 HydrophobicContact CD2-CD2 3.74Å; F60-Y91 HydrophobicContact CD2-CG 4.03Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.38Å; E87-Y91 PolarHBondContact O-N 2.89Å; T88-Y91 PolarHBondContact O-N 2.95Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 2.7Å; Y91-Q94 PolarHBondContact O-N 2.78Å; Y91-A95 WeakPolarHBondContact O-CB 3.11Å; Y91-A95 PolarHBondContact O-N 3.31Å
92	K	98.4	Very high	97.9	Very high	87 Å²	87	59.7 Å²	59.7	38%	0.378	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-40.3	175.9	-73.9	179.3	178	177.2	0	112.5	F60 P67 T88 Q89 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4Å; P67-K92 WeakPolarHBondContact O-CE 3.38Å; P67-K92 PolarHBondContact O-NZ 3.17Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 3.24Å; Q89-K92 PolarHBondContact O-N 3.35Å; K90-K92 PolarHBondContact O-N 3.1Å; K92-A95 PolarHBondContact O-N 2.03Å; K92-Q96 PolarHBondContact O-N 2.92Å
93	R	98.3	Very high	97.8	Very high	177 Å²	177	58.9 Å²	58.9	67%	0.668	27%	0.269	S	S	*	.	H	α-helix	trans	-68	-40.1	177.7	-151.6	-170.8	-52.4	174.6	3.1	111.5	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.2Å; Q89-R93 PolarHBondContact O-N 3.19Å; K90-R93 PolarHBondContact O-N 3.29Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 2.7Å; R93-Q96 PolarHBondContact O-N 2.8Å; R93-T97 PolarHBondContact O-N 2.84Å; R93-T97 PolarHBondContact O-OG1 3.26Å
94	Q	98.2	Very high	97.8	Very high	23 Å²	23	62 Å²	62	11%	0.107	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-44	174.7	-175.3	63.8	52.3	0	0	111.5	Y33 F46 K90 Y91 Q96 T97 D98 R121	Y33-Q94 HydrophobicContact CD2-CG 3.53Å; Y33-Q94 HydrophobicContact CE2-CB 4.37Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; Y33-Q94 HydrophobicContact CG-CG 4.46Å; F46-Q94 HydrophobicContact CE2-CB 4.34Å; F46-Q94 HydrophobicContact CE2-CG 3.72Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.66Å; K90-Q94 PolarHBondContact O-N 3.1Å; Y91-Q94 PolarHBondContact O-N 2.78Å; Q94-Q96 VanDerWaalsContact C-N 3.29Å; Q94-Q96 PolarHBondContact O-N 3.39Å; Q94-T97 CarbonylContact O-C 3.56Å; Q94-T97 WeakPolarHBondContact O-CA 3.46Å; Q94-T97 WeakPolarHBondContact O-CB 3.39Å; Q94-T97 PolarHBondContact O-N 2.8Å; Q94-D98 PolarHBondContact NE2-OD1 2.98Å; Q94-D98 PolarHBondContact NE2-OD2 2.83Å; Q94-D98 PolarHBondContact O-N 2.82Å; Q94-R121 VanDerWaalsContact OE1-NH1 3.13Å
95	A	98.3	Very high	97.8	Very high	18 Å²	18	60.4 Å²	60.4	15%	0.149	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-41.4	176.2	0	0	0	0	0	112.4	F46 Y91 K92 R99	F46-A95 HydrophobicContact CB-CB 3.73Å; F46-A95 HydrophobicContact CD1-CB 3.74Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CE1-CB 4.38Å; F46-A95 HydrophobicContact CG-CB 3.58Å; Y91-A95 WeakPolarHBondContact O-CB 3.11Å; Y91-A95 PolarHBondContact O-N 3.31Å; K92-A95 PolarHBondContact O-N 2.03Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 2.86Å
96	Q	98	Very high	97.7	Very high	105 Å²	105	58.1 Å²	58.1	49%	0.491	26%	0.263	S	S	.	.	H	α-helix	trans	-67.5	-36.9	173.9	-66.4	-54.8	-43.5	0	0	112.5	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.92Å; R93-Q96 PolarHBondContact O-N 2.8Å; Q94-Q96 VanDerWaalsContact C-N 3.29Å; Q94-Q96 PolarHBondContact O-N 3.39Å; Q96-R99 WeakPolarHBondContact O-CB 3.42Å; Q96-R99 PolarHBondContact O-N 3.08Å; Q96-V100 WeakPolarHBondContact O-CG2 3.31Å; Q96-V100 PolarHBondContact O-N 3.44Å
97	T	97.9	Very high	97.7	Very high	63 Å²	63	55.4 Å²	55.4	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-47.2	176.1	-56.9	0	0	0	0	110.5	R93 Q94 R99 V100 N101	R93-T97 PolarHBondContact O-N 2.84Å; R93-T97 PolarHBondContact O-OG1 3.26Å; Q94-T97 CarbonylContact O-C 3.56Å; Q94-T97 WeakPolarHBondContact O-CA 3.46Å; Q94-T97 WeakPolarHBondContact O-CB 3.39Å; Q94-T97 PolarHBondContact O-N 2.8Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 2.82Å; T97-V100 PolarHBondContact O-N 3.07Å; T97-V100 VanDerWaalsContact O-N 3.08Å; T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 2.89Å; T97-N101 PolarHBondContact O-ND2 3.46Å
98	D	97.9	Very high	97.7	Very high	2 Å²	2	58 Å²	58	1%	0.011	28%	0.277	C	S	.	.	H	α-helix	trans	-69.6	-31.2	-179.5	-70.2	-25.9	0	0	0	112.7	A35 F46 Q94 V100 N101 L102 I119	A35-D98 HydrophobicContact CB-CB 3.65Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.41Å; Q94-D98 PolarHBondContact NE2-OD1 2.98Å; Q94-D98 PolarHBondContact NE2-OD2 2.83Å; Q94-D98 PolarHBondContact O-N 2.82Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 2.99Å; D98-N101 PolarHBondContact O-N 2.95Å; D98-N101 PolarHBondContact OD1-ND2 2.75Å; D98-L102 WeakPolarHBondContact O-CB 3.48Å; D98-L102 VanDerWaalsContact O-CG 3.27Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 3.18Å; D98-I119 HydrophobicContact CB-CG2 4.02Å
99	R	97.4	Very high	97.6	Very high	67 Å²	67	60.4 Å²	60.4	25%	0.253	29%	0.285	S	S	.	.	H	α-helix	trans	-57.7	-42.9	168.2	176.5	-170.2	-176.9	-160.2	1.5	112.1	E43 P44 A95 Q96 T97	E43-R99 VanDerWaalsContact CD-NE 3.26Å; E43-R99 VanDerWaalsContact CD-NH2 3.3Å; E43-R99 IonicContact OE1-CZ 3.91Å; E43-R99 IonicContact OE1-NE 3.81Å; E43-R99 PolarHBondContact OE1-NE 3.15Å; E43-R99 IonicContact OE1-NH1 3.56Å; E43-R99 IonicContact OE1-NH2 3.93Å; E43-R99 PolarHBondContact OE1-NH2 3.34Å; E43-R99 VanDerWaalsContact OE2-CD 3.28Å; E43-R99 WeakPolarHBondContact OE2-CD 3.38Å; E43-R99 IonicContact OE2-CZ 2.75Å; E43-R99 IonicContact OE2-NE 3.88Å; E43-R99 PolarHBondContact OE2-NE 3.05Å; E43-R99 IonicContact OE2-NH2 2.62Å; E43-R99 PolarHBondContact OE2-NH2 3.35Å; P44-R99 HydrophobicContact CG-CB 4.26Å; P44-R99 HydrophobicContact CG-CG 4.15Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 2.86Å; Q96-R99 WeakPolarHBondContact O-CB 3.42Å; Q96-R99 PolarHBondContact O-N 3.08Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 2.82Å
100	V	97.4	Very high	97.6	Very high	67 Å²	67	62.4 Å²	62.4	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-71.9	-42	176.4	174.8	0	0	0	0	110.5	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.31Å; Q96-V100 PolarHBondContact O-N 3.44Å; T97-V100 PolarHBondContact O-N 3.07Å; T97-V100 VanDerWaalsContact O-N 3.08Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 2.99Å; V100-L102 PolarHBondContact O-N 2.93Å; V100-R103 PolarHBondContact O-N 3.43Å; V100-R103 VanDerWaalsContact O-N 3.17Å; V100-N104 PolarHBondContact O-N 2.88Å
101	N	97.8	Very high	97.5	Very high	42 Å²	42	61.5 Å²	61.5	23%	0.225	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-44.6	178.1	-67.3	-22.7	0	0	0	111.8	T97 D98 R103 N104 L105 I119	T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 2.89Å; T97-N101 PolarHBondContact O-ND2 3.46Å; D98-N101 PolarHBondContact O-N 2.95Å; D98-N101 PolarHBondContact OD1-ND2 2.75Å; N101-R103 VanDerWaalsContact C-N 3.26Å; N101-R103 PolarHBondContact O-N 2.94Å; N101-N104 PolarHBondContact O-N 3.3Å; N101-N104 VanDerWaalsContact O-N 3.11Å; N101-L105 WeakPolarHBondContact O-CB 3.44Å; N101-L105 VanDerWaalsContact O-CG 3.25Å; N101-L105 WeakPolarHBondContact O-CG 3.47Å; N101-L105 PolarHBondContact O-N 3.39Å; N101-I119 HydrophobicContact CB-CD1 3.94Å
102	L	97.9	Very high	97.3	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-57	-38.7	177	-77.4	164.4	0	0	0	112.3	A35 P44 D98 V100 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.05Å; P44-L102 HydrophobicContact CB-CD1 3.63Å; P44-L102 HydrophobicContact CG-CD1 3.8Å; D98-L102 WeakPolarHBondContact O-CB 3.48Å; D98-L102 VanDerWaalsContact O-CG 3.27Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 3.18Å; V100-L102 PolarHBondContact O-N 2.93Å; L102-R106 VanDerWaalsContact O-CB 3.32Å; L102-R106 WeakPolarHBondContact O-CB 3.17Å; L102-R106 PolarHBondContact O-N 2.99Å; L102-R106 VanDerWaalsContact O-N 3.16Å; L102-H117 HydrophobicContact CD2-CB 4.19Å; L102-I119 HydrophobicContact CD1-CG2 4.35Å; L102-I119 HydrophobicContact CD2-CB 4.13Å; L102-I119 HydrophobicContact CD2-CG2 3.97Å; L102-I119 HydrophobicContact CG-CG2 3.93Å; L102-Y142 HydrophobicContact CD2-CE2 4.14Å
103	R	95.9	Very high	97	Very high	122 Å²	122	67.5 Å²	67.5	46%	0.46	33%	0.334	S	S	.	.	H	α-helix	trans	-70.1	-42.2	175.4	-62.3	-177.5	-148.3	165.1	1.2	112.3	V100 N101 G107	V100-R103 PolarHBondContact O-N 3.43Å; V100-R103 VanDerWaalsContact O-N 3.17Å; N101-R103 VanDerWaalsContact C-N 3.26Å; N101-R103 PolarHBondContact O-N 2.94Å; R103-G107 PolarHBondContact O-N 2.61Å
104	N	96.9	Very high	96.7	Very high	71 Å²	71	63.1 Å²	63.1	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-47.3	179.4	-70.4	-19	0	0	0	111.3	V100 N101 G107 Y108	V100-N104 PolarHBondContact O-N 2.88Å; N101-N104 PolarHBondContact O-N 3.3Å; N101-N104 VanDerWaalsContact O-N 3.11Å; N104-G107 CarbonylContact O-C 3.5Å; N104-G107 WeakPolarHBondContact O-CA 3.42Å; N104-G107 PolarHBondContact O-N 2.96Å; N104-G107 VanDerWaalsContact O-N 3.08Å; N104-Y108 WeakPolarHBondContact O-CD1 3.17Å; N104-Y108 PolarHBondContact O-N 3.46Å
105	L	97.8	Very high	96.4	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-46.4	179.3	-69.6	169.8	0	0	0	110.9	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.44Å; N101-L105 VanDerWaalsContact O-CG 3.25Å; N101-L105 WeakPolarHBondContact O-CG 3.47Å; N101-L105 PolarHBondContact O-N 3.39Å; L105-G107 PolarHBondContact O-N 3.05Å; L105-Y108 HydrophobicContact CD2-CD2 4.38Å; L105-Y108 PolarHBondContact O-N 2.91Å; L105-Y109 HydrophobicContact CD2-CE2 4.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 3.39Å; L105-I119 HydrophobicContact CD1-CD1 3.76Å; L105-I119 HydrophobicContact CD1-CG1 4.26Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4.03Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.54Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 3.99Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.41Å; L105-Y147 HydrophobicContact CD2-CD2 4.21Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.5Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.5Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.5Å
106	R	96.3	Very high	96.4	Very high	60 Å²	60	65.9 Å²	65.9	23%	0.226	36%	0.36	C	S	.	.	H	α-helix	trans	-52.9	-41.7	173.3	-171.8	-174.4	67.1	-178.9	9.4	112.1	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.32Å; L102-R106 WeakPolarHBondContact O-CB 3.17Å; L102-R106 PolarHBondContact O-N 2.99Å; L102-R106 VanDerWaalsContact O-N 3.16Å; R106-N110 PolarHBondContact O-N 3.14Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.23Å; R106-Q111 PolarHBondContact O-N 3.32Å; R106-E113 IonicContact CZ-OE1 3.67Å; R106-E113 IonicContact NH1-OE1 3.68Å; R106-E113 IonicContact NH2-OE1 2.67Å; R106-E113 PolarHBondContact NH2-OE1 2.99Å
107	G	96.4	Very high	96.4	Very high	44 Å²	44	61.6 Å²	61.6	45%	0.454	34%	0.34	S	S	.	.	H	α-helix	trans	-65.8	-45	174.6	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.61Å; N104-G107 CarbonylContact O-C 3.5Å; N104-G107 WeakPolarHBondContact O-CA 3.42Å; N104-G107 PolarHBondContact O-N 2.96Å; N104-G107 VanDerWaalsContact O-N 3.08Å; L105-G107 PolarHBondContact O-N 3.05Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.98Å; G107-N110 PolarHBondContact O-N 2.94Å; G107-N110 VanDerWaalsContact O-N 3.17Å
108	Y	97.8	Very high	96.4	Very high	57 Å²	57	61.5 Å²	61.5	22%	0.224	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-35.5	179	-64.9	-9.2	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.17Å; N104-Y108 PolarHBondContact O-N 3.46Å; L105-Y108 HydrophobicContact CD2-CD2 4.38Å; L105-Y108 PolarHBondContact O-N 2.91Å; Y108-I166 HydrophobicContact CD1-CD1 4.23Å; Y108-I166 HydrophobicContact CD2-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CG2 4.18Å; Y108-I166 HydrophobicContact CE2-CB 4.14Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; Y108-K170 PolarHBondContact OH-NZ 2.88Å
109	Y	97.8	Very high	96.5	Very high	64 Å²	64	61.7 Å²	61.7	25%	0.251	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	4.5	178.4	-67.3	-71.8	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 3.39Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.98Å; Y109-Q111 PolarHBondContact O-N 3.14Å; Y109-Y142 AromaticContact CD2-CD1 3.71Å; Y109-Y142 HydrophobicContact CD2-CD1 3.71Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.71Å; Y109-Y142 HydrophobicContact CE2-CE1 3.71Å; Y109-Y142 HydrophobicContact CE2-CG 4.43Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.49Å; Y109-Y147 HydrophobicContact CE2-CE2 4.18Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.26Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.27Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 PolarHBondContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 2.87Å; Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.6	Very high	96.5	Very high	151 Å²	151	62.4 Å²	62.4	81%	0.807	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.6	-177.7	-57	-59.1	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 3.14Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.94Å; G107-N110 VanDerWaalsContact O-N 3.17Å
111	Q	96.7	Very high	96.6	Very high	58 Å²	58	60.7 Å²	60.7	27%	0.271	33%	0.33	S	S	.	.			trans	-87.8	152.3	-176.8	-71.1	166.3	-31.8	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.23Å; R106-Q111 PolarHBondContact O-N 3.32Å; Y109-Q111 PolarHBondContact O-N 3.14Å; Q111-H117 PolarHBondContact NE2-CE1 3.24Å; Q111-H117 PolarHBondContact OE1-CE1 3.29Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; Q111-H117 PolarHBondContact OE1-ND1 3.45Å; Q111-Y142 PolarHBondContact OE1-OH 2.8Å; Q111-D143 PolarHBondContact NE2-OD2 3.37Å
112	S	94.4	Very high	96.6	Very high	78 Å²	78	59.8 Å²	59.8	55%	0.545	32%	0.324	S	S	.	.			trans	-70.1	153.4	-179.1	78.7	0	0	0	0	113	A114 G115	S112-A114 PolarHBondContact O-N 3.39Å; S112-G115 PolarHBondContact O-N 3.25Å
113	E	90.9	Very high	96.7	Very high	136 Å²	136	60.5 Å²	60.5	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.7	177	-55.8	-153.7	125.5	0	0	114.4	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.27Å; P39-E113 VanDerWaalsContact CG-O 3.3Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; R106-E113 IonicContact CZ-OE1 3.67Å; R106-E113 IonicContact NH1-OE1 3.68Å; R106-E113 IonicContact NH2-OE1 2.67Å; R106-E113 PolarHBondContact NH2-OE1 2.99Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	92.1	Very high	96.8	Very high	85 Å²	85	54.7 Å²	54.7	70%	0.702	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.3	-179.9	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.39Å
115	G	93.4	Very high	96.9	Very high	23 Å²	23	51.3 Å²	51.3	24%	0.237	29%	0.287	C	S	.	.			trans	-75.5	135.8	-178.5	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.48Å; S112-G115 PolarHBondContact O-N 3.25Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.35Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	97.2	Very high	96.9	Very high	75 Å²	75	52.4 Å²	52.4	52%	0.524	29%	0.293	S	S	.	.			trans	-87.4	120	168.3	174	0	0	0	0	109	S37	S37-S116 PolarHBondContact O-OG 2.83Å
117	H	98.2	Very high	96.9	Very high	16 Å²	16	49.6 Å²	49.6	7%	0.074	28%	0.282	C	S	.	.			trans	-116	154.2	179.3	-59.2	-75.7	0	0	0	112.5	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.91Å; S37-H117 WeakPolarHBondContact OG-CA 3.47Å; S37-H117 PolarHBondContact OG-N 2.93Å; S37-H117 PolarHBondContact OG-O 2.94Å; L102-H117 HydrophobicContact CD2-CB 4.19Å; Q111-H117 PolarHBondContact NE2-CE1 3.24Å; Q111-H117 PolarHBondContact OE1-CE1 3.29Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; Q111-H117 PolarHBondContact OE1-ND1 3.45Å; G115-H117 PolarHBondContact O-CD2 3.35Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.79Å; H117-Y142 WeakPolarHBondContact CB-OH 3.23Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.95Å; H117-Y142 PolarHBondContact ND1-OH 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.3Å; H117-D143 WeakPolarHBondContact CB-OD1 3.36Å; H117-D143 IonicContact CE1-OD2 3.98Å; H117-D143 IonicContact CG-OD1 3.73Å; H117-D143 IonicContact CG-OD2 2.76Å; H117-D143 IonicContact ND1-OD1 3.19Å; H117-D143 IonicContact ND1-OD2 2.91Å; H117-D143 PolarHBondContact ND1-OD2 3.26Å
118	I	98.5	Very high	96.8	Very high	61 Å²	61	47.7 Å²	47.7	31%	0.313	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.1	-178.4	-54.1	-178.3	0	0	0	109.4	T34 A35 V36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.91Å; A35-I118 WeakPolarHBondContact O-CA 3.49Å; V36-I118 HydrophobicContact CG1-CG1 4.14Å; V36-I118 HydrophobicContact CG2-CD1 4.35Å; V36-I118 HydrophobicContact CG2-CG1 4.1Å; V36-I118 HydrophobicContact CG2-CG2 4.27Å; I118-Q120 HydrophobicContact CG2-CG 3.9Å; I118-Y142 WeakPolarHBondContact O-CA 3.38Å; I118-Y142 WeakPolarHBondContact O-CD2 3.41Å; I118-D143 PolarHBondContact N-OD1 3.49Å; I118-D143 PolarHBondContact O-N 3.42Å
119	I	98.5	Very high	96.5	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.4	163.2	-168.3	178.8	0	0	0	108.9	T34 A35 D98 N101 L102 L105 Y140 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.37Å; A35-I119 HydrophobicContact CB-CG2 3.65Å; A35-I119 PolarHBondContact N-O 2.88Å; A35-I119 PolarHBondContact O-N 2.84Å; D98-I119 HydrophobicContact CB-CG2 4.02Å; N101-I119 HydrophobicContact CB-CD1 3.94Å; L102-I119 HydrophobicContact CD1-CG2 4.35Å; L102-I119 HydrophobicContact CD2-CB 4.13Å; L102-I119 HydrophobicContact CD2-CG2 3.97Å; L102-I119 HydrophobicContact CG-CG2 3.93Å; L105-I119 HydrophobicContact CD1-CD1 3.76Å; L105-I119 HydrophobicContact CD1-CG1 4.26Å; I119-Y140 HydrophobicContact CD1-CD1 3.85Å; I119-Y140 HydrophobicContact CD1-CE1 4.2Å; I119-Y140 HydrophobicContact CG1-CD1 4.13Å; I119-A141 WeakPolarHBondContact CA-O 3.43Å; I119-Y142 HydrophobicContact CB-CD2 4.46Å
120	Q	98.8	Very high	96.2	Very high	81 Å²	81	51.1 Å²	51.1	38%	0.379	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.2	175.8	-61.9	173.2	-87.6	0	0	109.2	Y33 T34 I118 Y140 A141	Y33-Q120 CarbonylContact O-C 3.58Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å; I118-Q120 HydrophobicContact CG2-CG 3.9Å; Q120-Y140 CarbonylContact O-C 3.56Å; Q120-Y140 VanDerWaalsContact O-CA 3.24Å; Q120-Y140 WeakPolarHBondContact O-CA 3.2Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 2.86Å; Q120-A141 PolarHBondContact O-N 2.63Å
121	R	98.6	Very high	95.9	Very high	32 Å²	32	44.5 Å²	44.5	12%	0.121	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.9	172.9	-175.4	-167	-173.1	175.9	-0.5	109.2	F32 Y33 Q94 Y123 D138 Q139 Y140	F32-R121 CarbonylContact C-O 3.55Å; F32-R121 WeakPolarHBondContact CA-O 3.28Å; Y33-R121 PolarHBondContact N-O 3.03Å; Y33-R121 PolarHBondContact O-N 3.38Å; Q94-R121 VanDerWaalsContact OE1-NH1 3.13Å; R121-Y123 HydrophobicContact CG-CD1 4.24Å; R121-D138 IonicContact CZ-OD1 3.53Å; R121-D138 IonicContact NE-OD1 3.17Å; R121-D138 PolarHBondContact NE-OD1 2.81Å; R121-D138 IonicContact NH2-OD1 3.14Å; R121-D138 PolarHBondContact NH2-OD1 3.18Å; R121-D138 IonicContact NH2-OD2 3.82Å; R121-Q139 CarbonylContact C-O 3.53Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.18Å; R121-Y140 HydrophobicContact CB-CD1 3.91Å; R121-Y140 HydrophobicContact CB-CE1 3.74Å; R121-Y140 HydrophobicContact CB-CE2 4.44Å; R121-Y140 HydrophobicContact CB-CG 4.38Å; R121-Y140 VanDerWaalsContact CD-OH 3.23Å; R121-Y140 WeakPolarHBondContact CD-OH 3.4Å; R121-Y140 HydrophobicContact CG-CD1 4.15Å; R121-Y140 HydrophobicContact CG-CD2 4.04Å; R121-Y140 HydrophobicContact CG-CE1 3.8Å; R121-Y140 HydrophobicContact CG-CE2 3.64Å; R121-Y140 HydrophobicContact CG-CG 4.29Å; R121-Y140 VanDerWaalsContact CZ-OH 3.31Å; R121-Y140 PolarHBondContact NE-OH 3.01Å; R121-Y140 PolarHBondContact NH1-OH 3.4Å
122	M	98.8	Very high	95.9	Very high	22 Å²	22	50 Å²	50	11%	0.108	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130	164.2	-176	-78.6	-74.3	0	0	108.5	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.38Å; F32-M122 HydrophobicContact CD1-CB 3.93Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.05Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.94Å; M122-Y137 HydrophobicContact CE-CD1 4.14Å; M122-Y137 HydrophobicContact CE-CG 4.18Å; M122-Y137 HydrophobicContact SD-CG 4.49Å; M122-D138 WeakPolarHBondContact O-CA 3.38Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 VanDerWaalsContact CE-CD 3.44Å; M122-Q139 HydrophobicContact CE-CG 3.89Å; M122-Q139 PolarHBondContact N-O 3.13Å; M122-Q139 PolarHBondContact O-N 3.17Å
123	Y	98.7	Very high	96	Very high	22 Å²	22	48.7 Å²	48.7	9%	0.086	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.6	172.3	74.2	-83.5	0	0	0	110.7	Y31 Y33 R121 Y137 D138 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 HydrophobicContact CD2-CE1 4.48Å; Y31-Y123 AromaticContact CD2-CE2 3.77Å; Y31-Y123 HydrophobicContact CD2-CE2 3.77Å; Y31-Y123 AromaticContact CD2-CZ 3.74Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.24Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 2.9Å; Y31-Y123 PolarHBondContact O-N 3.29Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å; Y33-Y123 HydrophobicContact CD2-CE1 4.05Å; Y33-Y123 HydrophobicContact CE1-CE1 4.17Å; Y33-Y123 HydrophobicContact CE2-CD1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.41Å; Y33-Y123 HydrophobicContact CE2-CE1 3.41Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.41Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.93Å; Y33-Y123 PolarHBondContact OH-OH 2.74Å; R121-Y123 HydrophobicContact CG-CD1 4.24Å; Y123-Y137 WeakPolarHBondContact CA-O 3.44Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.3Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.41Å; Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.7Å; Y123-Y183 HydrophobicContact CE2-CE1 3.7Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å
124	G	98.6	Very high	96.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.4	-175.1	-175.4	0	0	0	0	0	114	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; G124-G136 WeakPolarHBondContact O-CA 3.12Å; G124-Y137 PolarHBondContact N-O 3.18Å; G124-Y137 PolarHBondContact O-N 3.45Å; G124-L184 WeakPolarHBondContact O-CD2 3.4Å
125	C	98.6	Very high	96.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.2	-177.3	52.9	0	0	0	0	111.1	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.58Å; S28-C125 WeakPolarHBondContact CA-O 3.28Å; M29-C125 PolarHBondContact N-O 2.93Å; M29-C125 PolarHBondContact O-N 3.33Å; C125-L133 HydrophobicContact CB-CD1 3.59Å; C125-R135 CarbonylContact C-O 3.44Å; C125-R135 WeakPolarHBondContact CA-O 3.2Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.14Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.41Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.15Å
126	D	98.3	Very high	96.8	Very high	29 Å²	29	47.2 Å²	47.2	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.1	170.1	-59.2	-12	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.33Å; R30-D126 IonicContact CZ-OD1 3.69Å; R30-D126 IonicContact NE-OD1 2.8Å; R30-D126 PolarHBondContact NE-OD1 3.47Å; R30-D126 VanDerWaalsContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.69Å; R30-D126 PolarHBondContact NH2-OD1 2.95Å; R30-D126 IonicContact NH2-OD2 3.3Å; R30-D126 PolarHBondContact NH2-OD2 3.32Å; D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.97Å; D126-R135 HydrophobicContact CB-CB 4.5Å; D126-R135 PolarHBondContact N-O 3.05Å; D126-R135 PolarHBondContact O-N 2.82Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.42Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 3.48Å
127	V	97.3	Very high	96.8	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145	177.3	-61.1	0	0	0	0	110.7	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.07Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.87Å; H27-V127 PolarHBondContact O-N 2.87Å; V127-R132 WeakPolarHBondContact CA-O 3.34Å; V127-R132 WeakPolarHBondContact CB-O 3.36Å; V127-V189 HydrophobicContact CG1-CB 4.38Å; V127-V189 HydrophobicContact CG1-CG1 3.98Å; V127-V189 HydrophobicContact CG1-CG2 3.95Å; V127-L192 HydrophobicContact CB-CD2 4.37Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.15Å
128	G	94.3	Very high	96.8	Very high	4 Å²	4	44.8 Å²	44.8	4%	0.041	22%	0.219	C	C	.	.			trans	-80.8	-178.1	174.2	0	0	0	0	0	112.2	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.48Å; G128-D130 PolarHBondContact O-N 3.34Å; G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.12Å; G128-R132 PolarHBondContact N-O 3.43Å
129	P	91.2	Very high	96.9	Very high	99 Å²	99	45.6 Å²	45.6	64%	0.643	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.3	177.7	-24.3	33.3	0	0	0	114.3	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.49Å; P129-G131 PolarHBondContact O-N 3.14Å
130	D	90.8	Very high	96.9	Very high	94 Å²	94	46.1 Å²	46.1	50%	0.503	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.9	173.9	71.9	-10.6	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 3.34Å; D130-R132 PolarHBondContact O-N 2.92Å; D130-R132 WeakPolarHBondContact OD1-CB 3.43Å; D130-R132 PolarHBondContact OD1-N 2.91Å; D130-R132 WeakPolarHBondContact OD2-CD 3.38Å; D130-R132 WeakPolarHBondContact OD2-CG 3.26Å; D130-R132 IonicContact OD2-CZ 3.71Å; D130-R132 IonicContact OD2-NE 3.44Å; D130-R132 IonicContact OD2-NH1 3.35Å
131	G	90.9	Very high	96.9	Very high	12 Å²	12	43 Å²	43	12%	0.124	21%	0.211	C	C	.	.			trans	72.9	5.3	-178.1	0	0	0	0	0	114.2	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.12Å; P129-G131 PolarHBondContact O-N 3.14Å; G131-V189 WeakPolarHBondContact O-CG1 3.28Å; G131-R193 VanDerWaalsContact C-NH2 3.27Å; G131-R193 PolarHBondContact O-NE 3.17Å; G131-R193 PolarHBondContact O-NH2 3.25Å
132	R	95.1	Very high	96.9	Very high	173 Å²	173	42 Å²	42	65%	0.653	21%	0.207	S	C	*	.			trans	-79.7	151.6	179.7	-64.5	-174.4	-177.9	156.5	-4.7	111.1	V127 G128 D130 L134	V127-R132 WeakPolarHBondContact CA-O 3.34Å; V127-R132 WeakPolarHBondContact CB-O 3.36Å; G128-R132 PolarHBondContact N-O 3.43Å; D130-R132 PolarHBondContact O-N 2.92Å; D130-R132 WeakPolarHBondContact OD1-CB 3.43Å; D130-R132 PolarHBondContact OD1-N 2.91Å; D130-R132 WeakPolarHBondContact OD2-CD 3.38Å; D130-R132 WeakPolarHBondContact OD2-CG 3.26Å; D130-R132 IonicContact OD2-CZ 3.71Å; D130-R132 IonicContact OD2-NE 3.44Å; D130-R132 IonicContact OD2-NH1 3.35Å; R132-L134 PolarHBondContact O-N 3.36Å
133	L	97.4	Very high	96.8	Very high	50 Å²	50	44 Å²	44	26%	0.262	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	124.2	175.6	-175.7	72.6	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.59Å; L133-R135 WeakPolarHBondContact CD1-O 3.26Å; L133-L154 HydrophobicContact CD2-CD1 4.09Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.91Å
134	L	97.1	Very high	96.8	Very high	112 Å²	112	45.7 Å²	45.7	59%	0.586	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	-46.2	168	-65.3	178.2	0	0	0	110.6	D126 R132	D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.97Å; R132-L134 PolarHBondContact O-N 3.36Å
135	R	97.4	Very high	96.8	Very high	97 Å²	97	53.4 Å²	53.4	37%	0.366	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	141.8	-176	-173.2	163	169.5	151	11.5	111.7	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.44Å; C125-R135 WeakPolarHBondContact CA-O 3.2Å; D126-R135 HydrophobicContact CB-CB 4.5Å; D126-R135 PolarHBondContact N-O 3.05Å; D126-R135 PolarHBondContact O-N 2.82Å; L133-R135 WeakPolarHBondContact CD1-O 3.26Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.44Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 3.41Å; R135-Y137 HydrophobicContact CG-CD2 4.42Å; R135-Y137 HydrophobicContact CG-CE1 4Å; R135-Y137 HydrophobicContact CG-CE2 3.75Å; R135-E152 IonicContact CZ-OE1 3.58Å; R135-E152 IonicContact NH1-OE1 3.31Å; R135-E152 PolarHBondContact NH1-OE1 3.32Å; R135-E152 IonicContact NH2-OE1 3.35Å; R135-E152 PolarHBondContact NH2-OE1 3.39Å
136	G	98.2	Very high	96.8	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.7	170.1	0	0	0	0	0	111	G124	G124-G136 WeakPolarHBondContact O-CA 3.12Å
137	Y	98.4	Very high	96.8	Very high	36 Å²	36	58.5 Å²	58.5	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.7	-178.9	-53.1	-97.2	0	0	0	110.2	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.27Å; R30-Y137 PolarHBondContact NH2-OH 3.31Å; M122-Y137 HydrophobicContact CE-CD1 4.14Å; M122-Y137 HydrophobicContact CE-CG 4.18Å; M122-Y137 HydrophobicContact SD-CG 4.49Å; Y123-Y137 WeakPolarHBondContact CA-O 3.44Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.3Å; G124-Y137 PolarHBondContact N-O 3.18Å; G124-Y137 PolarHBondContact O-N 3.45Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.42Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 3.48Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.44Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 3.41Å; R135-Y137 HydrophobicContact CG-CD2 4.42Å; R135-Y137 HydrophobicContact CG-CE1 4Å; R135-Y137 HydrophobicContact CG-CE2 3.75Å
138	D	98.6	Very high	96.9	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	110.1	160.5	-175	71.3	0	0	0	107.7	R121 M122 Y123 L150 L180	R121-D138 IonicContact CZ-OD1 3.53Å; R121-D138 IonicContact NE-OD1 3.17Å; R121-D138 PolarHBondContact NE-OD1 2.81Å; R121-D138 IonicContact NH2-OD1 3.14Å; R121-D138 PolarHBondContact NH2-OD1 3.18Å; R121-D138 IonicContact NH2-OD2 3.82Å; M122-D138 WeakPolarHBondContact O-CA 3.38Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.41Å; D138-L150 HydrophobicContact CB-CB 4.02Å; D138-L150 HydrophobicContact CB-CD2 4.24Å; D138-L150 WeakPolarHBondContact O-CB 3.37Å; D138-L150 PolarHBondContact O-N 3.36Å; D138-L180 HydrophobicContact CB-CD1 4.23Å
139	Q	98.6	Very high	97.1	Very high	78 Å²	78	60 Å²	60	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141	-176.2	62.2	-171.7	65.3	0	0	111.1	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.53Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.18Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 VanDerWaalsContact CE-CD 3.44Å; M122-Q139 HydrophobicContact CE-CG 3.89Å; M122-Q139 PolarHBondContact N-O 3.13Å; M122-Q139 PolarHBondContact O-N 3.17Å; Q139-I148 WeakPolarHBondContact CA-O 3.48Å; Q139-A149 HydrophobicContact CB-CB 3.93Å
140	Y	98.8	Very high	97.4	Very high	18 Å²	18	55.9 Å²	55.9	7%	0.071	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.8	179	-75.6	-102.8	0	0	0	110.6	I119 Q120 R121 Y147 I148 W171	I119-Y140 HydrophobicContact CD1-CD1 3.85Å; I119-Y140 HydrophobicContact CD1-CE1 4.2Å; I119-Y140 HydrophobicContact CG1-CD1 4.13Å; Q120-Y140 CarbonylContact O-C 3.56Å; Q120-Y140 VanDerWaalsContact O-CA 3.24Å; Q120-Y140 WeakPolarHBondContact O-CA 3.2Å; R121-Y140 HydrophobicContact CB-CD1 3.91Å; R121-Y140 HydrophobicContact CB-CE1 3.74Å; R121-Y140 HydrophobicContact CB-CE2 4.44Å; R121-Y140 HydrophobicContact CB-CG 4.38Å; R121-Y140 VanDerWaalsContact CD-OH 3.23Å; R121-Y140 WeakPolarHBondContact CD-OH 3.4Å; R121-Y140 HydrophobicContact CG-CD1 4.15Å; R121-Y140 HydrophobicContact CG-CD2 4.04Å; R121-Y140 HydrophobicContact CG-CE1 3.8Å; R121-Y140 HydrophobicContact CG-CE2 3.64Å; R121-Y140 HydrophobicContact CG-CG 4.29Å; R121-Y140 VanDerWaalsContact CZ-OH 3.31Å; R121-Y140 PolarHBondContact NE-OH 3.01Å; R121-Y140 PolarHBondContact NH1-OH 3.4Å; Y140-Y147 WeakPolarHBondContact O-CB 3.48Å; Y140-Y147 PolarHBondContact O-N 2.87Å; Y140-I148 HydrophobicContact CD2-CG2 4.36Å; Y140-I148 PolarHBondContact N-O 2.82Å; Y140-I148 PolarHBondContact O-N 3.12Å; Y140-W171 AromaticContact CD2-CH2 3.88Å; Y140-W171 HydrophobicContact CD2-CH2 3.88Å; Y140-W171 HydrophobicContact CD2-CZ3 4.48Å; Y140-W171 AromaticContact CE2-CH2 3.57Å; Y140-W171 HydrophobicContact CE2-CH2 3.57Å; Y140-W171 HydrophobicContact CE2-CZ2 4.48Å; Y140-W171 HydrophobicContact CE2-CZ3 4.38Å
141	A	98.8	Very high	97.8	Very high	16 Å²	16	53.4 Å²	53.4	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.6	169.1	0	0	0	0	0	110.3	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.43Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 2.86Å; Q120-A141 PolarHBondContact O-N 2.63Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.18Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.46Å
142	Y	98.7	Very high	98.1	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.5	175.6	-174.7	-120	0	0	0	109.9	L102 L105 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.14Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4.03Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.54Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 3.99Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.71Å; Y109-Y142 HydrophobicContact CD2-CD1 3.71Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.71Å; Y109-Y142 HydrophobicContact CE2-CE1 3.71Å; Y109-Y142 HydrophobicContact CE2-CG 4.43Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Q111-Y142 PolarHBondContact OE1-OH 2.8Å; H117-Y142 HydrophobicContact CB-CE2 3.79Å; H117-Y142 WeakPolarHBondContact CB-OH 3.23Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.95Å; H117-Y142 PolarHBondContact ND1-OH 3.23Å; I118-Y142 WeakPolarHBondContact O-CA 3.38Å; I118-Y142 WeakPolarHBondContact O-CD2 3.41Å; I119-Y142 HydrophobicContact CB-CD2 4.46Å; Y142-G144 PolarHBondContact O-N 3.34Å; Y142-K145 PolarHBondContact N-O 3.42Å; Y142-K145 PolarHBondContact O-N 2.8Å
143	D	98.2	Very high	98.3	Very high	63 Å²	63	54.6 Å²	54.6	34%	0.337	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	39.9	-174.6	-65.9	-21.4	0	0	0	113.3	Q111 H117 I118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.37Å; H117-D143 WeakPolarHBondContact CA-OD1 3.3Å; H117-D143 WeakPolarHBondContact CB-OD1 3.36Å; H117-D143 IonicContact CE1-OD2 3.98Å; H117-D143 IonicContact CG-OD1 3.73Å; H117-D143 IonicContact CG-OD2 2.76Å; H117-D143 IonicContact ND1-OD1 3.19Å; H117-D143 IonicContact ND1-OD2 2.91Å; H117-D143 PolarHBondContact ND1-OD2 3.26Å; I118-D143 PolarHBondContact N-OD1 3.49Å; I118-D143 PolarHBondContact O-N 3.42Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.24Å
144	G	97.3	Very high	98.3	Very high	59 Å²	59	52.7 Å²	52.7	61%	0.608	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	7.5	177.8	0	0	0	0	0	115.4	Y142	Y142-G144 PolarHBondContact O-N 3.34Å
145	K	98.4	Very high	98.3	Very high	162 Å²	162	55.3 Å²	55.3	70%	0.704	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.3	176.6	-62.3	-179.4	-178	178.7	0	110.9	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.18Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.46Å; Y142-K145 PolarHBondContact N-O 3.42Å; Y142-K145 PolarHBondContact O-N 2.8Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.24Å; K145-Y147 PolarHBondContact O-N 2.85Å
146	D	98.7	Very high	98.3	Very high	127 Å²	127	52.6 Å²	52.6	68%	0.679	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	137	174.2	-67.7	-21.1	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.22Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	52.9 Å²	52.9	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-64.8	179.6	-179.9	-112.4	0	0	0	110.7	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.41Å; L105-Y147 HydrophobicContact CD2-CD2 4.21Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.5Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.5Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.5Å; Y109-Y147 HydrophobicContact CE2-CD2 4.49Å; Y109-Y147 HydrophobicContact CE2-CE2 4.18Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.26Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.27Å; Y140-Y147 WeakPolarHBondContact O-CB 3.48Å; Y140-Y147 PolarHBondContact O-N 2.87Å; K145-Y147 PolarHBondContact O-N 2.85Å; Y147-A160 WeakPolarHBondContact O-CB 3.17Å; Y147-A160 PolarHBondContact O-N 2.68Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 3.29Å; Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 VanDerWaalsContact CE2-CA 3.46Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.39Å; 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	54.9 Å²	54.9	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141	178.4	-163.1	172.6	0	0	0	110	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.48Å; Y140-I148 HydrophobicContact CD2-CG2 4.36Å; Y140-I148 PolarHBondContact N-O 2.82Å; Y140-I148 PolarHBondContact O-N 3.12Å; I148-W157 HydrophobicContact CD1-CB 4.24Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CD1-CG 4.45Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; I148-T158 WeakPolarHBondContact CA-O 3.38Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.34Å; I148-W171 HydrophobicContact CG2-CH2 4.11Å; I148-W171 HydrophobicContact CG2-CZ3 3.78Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	55.9 Å²	55.9	26%	0.264	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.7	178.6	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.93Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; A149-T158 PolarHBondContact N-O 2.85Å; A149-T158 PolarHBondContact O-N 3.48Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55 Å²	55	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.8	168.7	-175.6	66.8	0	0	0	108.7	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 4.02Å; D138-L150 HydrophobicContact CB-CD2 4.24Å; D138-L150 WeakPolarHBondContact O-CB 3.37Å; D138-L150 PolarHBondContact O-N 3.36Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.18Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.22Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-A177 HydrophobicContact CD1-CB 4.03Å; L150-L180 HydrophobicContact CD2-CB 4.29Å; L150-L184 HydrophobicContact CD2-CD1 3.88Å
151	N	98.6	Very high	98.4	Very high	42 Å²	42	56.9 Å²	56.9	23%	0.225	32%	0.316	C	S	.	.			trans	-72.8	161.9	179.3	-67.9	-28	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.78Å; N151-L154 PolarHBondContact O-N 2.97Å; N151-S156 WeakPolarHBondContact CB-O 3.47Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 3.36Å; N151-S156 PolarHBondContact ND2-OG 3.49Å; N151-T158 PolarHBondContact ND2-OG1 2.83Å; N151-T158 WeakPolarHBondContact OD1-CB 2.96Å; N151-T158 PolarHBondContact OD1-OG1 2.81Å
152	E	97.7	Very high	98.3	Very high	133 Å²	133	61.4 Å²	61.4	62%	0.621	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.2	-179.6	-66.6	179.5	-167.5	0	0	113.5	R135 L154	R135-E152 IonicContact CZ-OE1 3.58Å; R135-E152 IonicContact NH1-OE1 3.31Å; R135-E152 PolarHBondContact NH1-OE1 3.32Å; R135-E152 IonicContact NH2-OE1 3.35Å; R135-E152 PolarHBondContact NH2-OE1 3.39Å; E152-L154 PolarHBondContact O-N 2.63Å
153	D	97.6	Very high	98.3	Very high	77 Å²	77	61.2 Å²	61.2	41%	0.412	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.7	174.6	70.3	4.2	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.78Å; D153-R155 WeakPolarHBondContact O-CG 3.26Å; D153-R155 PolarHBondContact O-N 3.27Å; D153-R155 PolarHBondContact OD1-N 2.93Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.87Å; D153-S156 PolarHBondContact OD1-OG 2.63Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.37Å; D153-S156 PolarHBondContact OD2-OG 2.85Å
154	L	98.1	Very high	98.3	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.047	33%	0.326	C	S	.	.	S	Bend	trans	53.9	28.5	-175.3	-52.7	-178.8	0	0	0	113.6	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.09Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 PolarHBondContact O-N 2.97Å; E152-L154 PolarHBondContact O-N 2.63Å; L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L154-E185 HydrophobicContact CD1-CG 4.2Å
155	R	97.6	Very high	98.4	Very high	168 Å²	168	59 Å²	59	63%	0.634	31%	0.314	S	S	*	.	S	Bend	trans	-135	-32.2	-174.6	-70	172.4	-171.6	-141.2	6.6	112.8	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.26Å; D153-R155 PolarHBondContact O-N 3.27Å; D153-R155 PolarHBondContact OD1-N 2.93Å; R155-R181 VanDerWaalsContact NH2-NH1 3.13Å
156	S	98	Very high	98.4	Very high	40 Å²	40	54.1 Å²	54.1	28%	0.28	30%	0.295	S	S	.	.			trans	-116	164	-176.6	64.1	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.47Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 3.36Å; N151-S156 PolarHBondContact ND2-OG 3.49Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.87Å; D153-S156 PolarHBondContact OD1-OG 2.63Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.37Å; D153-S156 PolarHBondContact OD2-OG 2.85Å
157	W	98.8	Very high	98.4	Very high	11 Å²	11	48.9 Å²	48.9	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.6	-176.1	-61.6	95	0	0	0	110.8	I148 A149 L150 Q168 W171 E176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.24Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CD1-CG 4.45Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.18Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.22Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-Q168 PolarHBondContact O-NE2 3.01Å; W157-W171 AromaticContact CD2-CE3 3.98Å; W157-W171 HydrophobicContact CD2-CE3 3.98Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CH2-CD2 4.42Å; W157-W171 AromaticContact CH2-CE3 3.28Å; W157-W171 HydrophobicContact CH2-CE3 3.28Å; W157-W171 HydrophobicContact CH2-CH2 4.45Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CD2 4.33Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 AromaticContact CZ2-CZ3 4Å; W157-W171 HydrophobicContact CZ2-CZ3 4Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-E176 HydrophobicContact CZ2-CB 4.25Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.84Å; W157-L180 HydrophobicContact CZ3-CD1 4.49Å
158	T	98.7	Very high	98.4	Very high	78 Å²	78	50.3 Å²	50.3	48%	0.479	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.3	166	-66.8	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.38Å; A149-T158 PolarHBondContact N-O 2.85Å; A149-T158 PolarHBondContact O-N 3.48Å; N151-T158 PolarHBondContact ND2-OG1 2.83Å; N151-T158 WeakPolarHBondContact OD1-CB 2.96Å; N151-T158 PolarHBondContact OD1-OG1 2.81Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.5 Å²	57.5	19%	0.19	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.1	174.4	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.7Å; A159-Q165 HydrophobicContact CB-CG 3.95Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	61.6 Å²	61.6	50%	0.504	31%	0.313	S	S	.	.	S	Bend	trans	-73.7	-31	-177.2	0	0	0	0	0	113.2	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.22Å; Y147-A160 WeakPolarHBondContact O-CB 3.17Å; Y147-A160 PolarHBondContact O-N 2.68Å
161	D	98.3	Very high	98.3	Very high	56 Å²	56	63.4 Å²	63.4	30%	0.299	32%	0.319	S	S	.	.	S	Bend	trans	-151.3	-174.8	-179.6	68	26	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 PolarHBondContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 2.87Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.03Å; D161-A163 WeakPolarHBondContact OD1-CA 3.34Å; D161-A163 WeakPolarHBondContact OD1-CB 3.49Å; D161-A163 PolarHBondContact OD1-N 2.96Å; D161-A164 PolarHBondContact O-N 3.02Å; D161-A164 PolarHBondContact OD1-N 3.34Å; D161-Q165 WeakPolarHBondContact O-CG 3.38Å; D161-Q165 PolarHBondContact O-N 3.2Å
162	T	98.1	Very high	98.3	Very high	112 Å²	112	65.9 Å²	65.9	69%	0.687	33%	0.329	S	S	*	.	H	α-helix	trans	-65.5	-28.2	-178.8	51.6	0	0	0	0	113.9
163	A	97.9	Very high	98.3	Very high	5 Å²	5	63.7 Å²	63.7	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-72.8	-43.2	175.3	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 3.29Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.03Å; D161-A163 WeakPolarHBondContact OD1-CA 3.34Å; D161-A163 WeakPolarHBondContact OD1-CB 3.49Å; D161-A163 PolarHBondContact OD1-N 2.96Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.35Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.39Å; A163-I166 PolarHBondContact O-N 2.84Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-34.3	174	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 VanDerWaalsContact CE2-CA 3.46Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.39Å; A159-A164 HydrophobicContact CB-CB 3.7Å; D161-A164 PolarHBondContact O-N 3.02Å; D161-A164 PolarHBondContact OD1-N 3.34Å; A164-I166 PolarHBondContact O-N 3.33Å; A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 2.6Å; A164-Q168 PolarHBondContact O-N 3.01Å
165	Q	98.7	Very high	98.3	Very high	75 Å²	75	69.5 Å²	69.5	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-59.7	-27.4	173.6	-72.8	174.8	12.3	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.38Å; D161-Q165 PolarHBondContact O-N 3.2Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.35Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.24Å; Q165-R169 PolarHBondContact O-N 2.73Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.3	Very high	98.3	Very high	60 Å²	60	64.4 Å²	64.4	31%	0.308	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-44.8	174.2	-56.5	171.6	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.23Å; Y108-I166 HydrophobicContact CD2-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CG2 4.18Å; Y108-I166 HydrophobicContact CE2-CB 4.14Å; Y108-I166 HydrophobicContact CE2-CG2 4.03Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.39Å; A163-I166 PolarHBondContact O-N 2.84Å; A164-I166 PolarHBondContact O-N 3.33Å; I166-K170 WeakPolarHBondContact O-CG 3.25Å; I166-K170 PolarHBondContact O-N 3.2Å
167	T	98.3	Very high	98.3	Very high	18 Å²	18	62.9 Å²	62.9	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-45.5	174.7	-69.2	0	0	0	0	111.1	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 3.43Å; A164-T167 PolarHBondContact O-N 2.6Å; T167-R169 PolarHBondContact O-N 3.18Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 3.08Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.14Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.92Å; T167-W171 HydrophobicContact CG2-CZ3 4.45Å; T167-W171 PolarHBondContact O-N 2.74Å
168	Q	98.7	Very high	98.3	Very high	39 Å²	39	67.8 Å²	67.8	18%	0.182	36%	0.357	C	S	.	.	H	α-helix	trans	-51.6	-53.1	177.7	176.1	174.1	10.1	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-Q168 PolarHBondContact O-NE2 3.01Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 3.01Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.81Å; Q168-W171 PolarHBondContact O-N 3.14Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 2.9Å; Q168-E172 WeakPolarHBondContact O-CB 3.34Å; Q168-E172 WeakPolarHBondContact O-CG 3.25Å; Q168-E172 PolarHBondContact O-N 3.03Å
169	R	98.7	Very high	98.2	Very high	155 Å²	155	70.1 Å²	70.1	59%	0.585	36%	0.363	S	S	*	.	H	α-helix	trans	-60	-37.5	179.9	-67.9	170.3	-164.3	154.6	8.6	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.24Å; Q165-R169 PolarHBondContact O-N 2.73Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.18Å; R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 2.94Å; R169-A173 VanDerWaalsContact O-N 3.07Å
170	K	98.2	Very high	98.1	Very high	117 Å²	117	70.2 Å²	70.2	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-44.9	176.6	-72.8	177.5	175.4	-175.3	0	111.3	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.88Å; I166-K170 WeakPolarHBondContact O-CG 3.25Å; I166-K170 PolarHBondContact O-N 3.2Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 3.08Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.81Å; K170-A173 PolarHBondContact O-N 2.87Å; K170-A174 WeakPolarHBondContact O-CB 3.31Å; K170-A174 PolarHBondContact O-N 2.88Å
171	W	98.3	Very high	98.1	Very high	52 Å²	52	70.9 Å²	70.9	20%	0.197	35%	0.349	C	S	.	.	H	α-helix	trans	-70.8	-36.2	-178.9	-74.3	4.6	0	0	0	112.8	Y140 I148 W157 T167 Q168 A174 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.88Å; Y140-W171 HydrophobicContact CD2-CH2 3.88Å; Y140-W171 HydrophobicContact CD2-CZ3 4.48Å; Y140-W171 AromaticContact CE2-CH2 3.57Å; Y140-W171 HydrophobicContact CE2-CH2 3.57Å; Y140-W171 HydrophobicContact CE2-CZ2 4.48Å; Y140-W171 HydrophobicContact CE2-CZ3 4.38Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.34Å; I148-W171 HydrophobicContact CG2-CH2 4.11Å; I148-W171 HydrophobicContact CG2-CZ3 3.78Å; W157-W171 AromaticContact CD2-CE3 3.98Å; W157-W171 HydrophobicContact CD2-CE3 3.98Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CH2-CD2 4.42Å; W157-W171 AromaticContact CH2-CE3 3.28Å; W157-W171 HydrophobicContact CH2-CE3 3.28Å; W157-W171 HydrophobicContact CH2-CH2 4.45Å; W157-W171 AromaticContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CH2-CZ3 3.3Å; W157-W171 HydrophobicContact CZ2-CD2 4.33Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 AromaticContact CZ2-CZ3 4Å; W157-W171 HydrophobicContact CZ2-CZ3 4Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.14Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.92Å; T167-W171 HydrophobicContact CG2-CZ3 4.45Å; T167-W171 PolarHBondContact O-N 2.74Å; Q168-W171 PolarHBondContact O-N 3.14Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.88Å; W171-R175 WeakPolarHBondContact O-CA 3.38Å; W171-R175 PolarHBondContact O-N 2.84Å; W171-E176 HydrophobicContact CB-CB 4Å; W171-E176 HydrophobicContact CB-CG 3.88Å; W171-E176 HydrophobicContact CD2-CG 4.47Å; W171-E176 HydrophobicContact CG-CB 4.17Å; W171-E176 HydrophobicContact CG-CG 3.82Å; W171-E176 PolarHBondContact O-N 2.9Å
172	E	98.5	Very high	98.1	Very high	94 Å²	94	71.3 Å²	71.3	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-63.7	-46.2	171.5	-73.2	170.3	172.8	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 2.9Å; Q168-E172 WeakPolarHBondContact O-CB 3.34Å; Q168-E172 WeakPolarHBondContact O-CG 3.25Å; Q168-E172 PolarHBondContact O-N 3.03Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.16Å; E172-R175 PolarHBondContact O-N 2.87Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.4	Very high	98.1	Very high	88 Å²	88	68.2 Å²	68.2	73%	0.727	34%	0.337	S	S	*	.	H	α-helix	trans	-62.8	-35.4	176.6	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 2.94Å; R169-A173 VanDerWaalsContact O-N 3.07Å; K170-A173 PolarHBondContact O-N 2.87Å
174	A	97.9	Very high	98.1	Very high	51 Å²	51	68 Å²	68	42%	0.421	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.5	177.1	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.31Å; K170-A174 PolarHBondContact O-N 2.88Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 2.88Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.16Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.05Å; A174-E176 PolarHBondContact O-N 3.28Å
175	R	97.7	Very high	98.1	Very high	156 Å²	156	72.3 Å²	72.3	59%	0.589	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	39	-176.7	-57.9	176.3	172.2	-142.3	6.2	113.7	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.38Å; W171-R175 PolarHBondContact O-N 2.84Å; E172-R175 PolarHBondContact O-N 2.87Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 2.73Å; R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE1 3.27Å; R175-E178 IonicContact CZ-OE1 2.75Å; R175-E178 IonicContact NE-OE1 3.87Å; R175-E178 IonicContact NH1-OE1 3.4Å; R175-E178 PolarHBondContact NH1-OE1 2.89Å; R175-E178 VanDerWaalsContact NH1-OE1 3.12Å; R175-E178 IonicContact NH1-OE2 3.33Å; R175-E178 WeakPolarHBondContact O-CB 3.34Å; R175-E178 PolarHBondContact O-N 2.93Å
176	E	97.5	Very high	98.1	Very high	62 Å²	62	69.8 Å²	69.8	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-59.1	-33.6	-178.2	-66.4	-68.5	176.1	0	0	112.6	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.25Å; W171-E176 HydrophobicContact CB-CB 4Å; W171-E176 HydrophobicContact CB-CG 3.88Å; W171-E176 HydrophobicContact CD2-CG 4.47Å; W171-E176 HydrophobicContact CG-CB 4.17Å; W171-E176 HydrophobicContact CG-CG 3.82Å; W171-E176 PolarHBondContact O-N 2.9Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.05Å; A174-E176 PolarHBondContact O-N 3.28Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 3.03Å; E176-Q179 PolarHBondContact O-N 3.28Å; E176-Q179 VanDerWaalsContact O-N 3.16Å; E176-L180 PolarHBondContact O-N 3.26Å
177	A	98.2	Very high	98	Very high	8 Å²	8	70.9 Å²	70.9	7%	0.066	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-34.6	176.9	0	0	0	0	0	112.6	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4.03Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; R175-A177 PolarHBondContact O-N 2.73Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 2.91Å; A177-L180 PolarHBondContact O-N 3.46Å; A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 3.39Å
178	E	97.8	Very high	98	Very high	113 Å²	113	70 Å²	70	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-39.5	178	-63.7	178.4	-174.5	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.2Å; R175-E178 WeakPolarHBondContact CD-OE1 3.27Å; R175-E178 IonicContact CZ-OE1 2.75Å; R175-E178 IonicContact NE-OE1 3.87Å; R175-E178 IonicContact NH1-OE1 3.4Å; R175-E178 PolarHBondContact NH1-OE1 2.89Å; R175-E178 VanDerWaalsContact NH1-OE1 3.12Å; R175-E178 IonicContact NH1-OE2 3.33Å; R175-E178 WeakPolarHBondContact O-CB 3.34Å; R175-E178 PolarHBondContact O-N 2.93Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 3.03Å; E178-A182 WeakPolarHBondContact O-CB 3.32Å; E178-A182 PolarHBondContact O-N 2.87Å
179	Q	96.4	Very high	98	Very high	127 Å²	127	68.5 Å²	68.5	59%	0.593	34%	0.344	S	S	*	.	H	α-helix	trans	-69.8	-45.1	178.1	-60.7	-175.4	31.1	0	0	111.7	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.28Å; E176-Q179 VanDerWaalsContact O-N 3.16Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 2.91Å; Q179-A182 PolarHBondContact O-N 2.84Å; Q179-Y183 PolarHBondContact O-N 2.89Å; Q179-Y183 VanDerWaalsContact O-N 3.07Å
180	L	97.7	Very high	98	Very high	26 Å²	26	66.8 Å²	66.8	14%	0.136	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-43.6	177.5	-72.5	169.6	0	0	0	111.2	D138 L150 W157 E176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.23Å; L150-L180 HydrophobicContact CD2-CB 4.29Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.84Å; W157-L180 HydrophobicContact CZ3-CD1 4.49Å; E176-L180 PolarHBondContact O-N 3.26Å; A177-L180 PolarHBondContact O-N 3.46Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.49Å; L180-Y183 WeakPolarHBondContact O-CB 3.39Å; L180-Y183 PolarHBondContact O-N 3.27Å; L180-Y183 VanDerWaalsContact O-N 3.17Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 2.93Å
181	R	98.3	Very high	98	Very high	74 Å²	74	63.1 Å²	63.1	28%	0.279	33%	0.325	S	S	.	.	H	α-helix	trans	-58	-46	174.9	-176.7	174	179.2	-140.5	-14.4	112	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.07Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; R155-R181 VanDerWaalsContact NH2-NH1 3.13Å; A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 3.39Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.11Å; R181-L184 PolarHBondContact O-N 2.76Å; R181-E185 HydrophobicContact CG-CG 4.1Å; R181-E185 IonicContact CZ-OE1 3.86Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 3.18Å; R181-E185 VanDerWaalsContact NE-CD 3.33Å; R181-E185 IonicContact NE-OE1 3.75Å; R181-E185 PolarHBondContact NE-OE1 2.87Å; R181-E185 IonicContact NE-OE2 3.11Å; R181-E185 PolarHBondContact NE-OE2 2.75Å; R181-E185 IonicContact NH2-OE1 3.12Å; R181-E185 PolarHBondContact NH2-OE1 2.87Å; R181-E185 IonicContact NH2-OE2 2.81Å; R181-E185 PolarHBondContact NH2-OE2 2.82Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 3.11Å
182	A	98.3	Very high	98	Very high	65 Å²	65	60.7 Å²	60.7	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-38.2	177.1	0	0	0	0	0	112.5	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.32Å; E178-A182 PolarHBondContact O-N 2.87Å; Q179-A182 PolarHBondContact O-N 2.84Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.49Å; A182-G186 PolarHBondContact O-N 2.87Å
183	Y	97.9	Very high	97.9	Very high	48 Å²	48	61.8 Å²	61.8	19%	0.188	32%	0.316	C	S	.	.	I	π-helix	trans	-67.1	-48	173.3	169.1	-99.6	0	0	0	112.2	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.7Å; Y123-Y183 HydrophobicContact CE2-CE1 3.7Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å; Q179-Y183 PolarHBondContact O-N 2.89Å; Q179-Y183 VanDerWaalsContact O-N 3.07Å; L180-Y183 WeakPolarHBondContact O-CB 3.39Å; L180-Y183 PolarHBondContact O-N 3.27Å; L180-Y183 VanDerWaalsContact O-N 3.17Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.11Å; Y183-G186 CarbonylContact O-C 3.55Å; Y183-G186 PolarHBondContact O-N 3.28Å; Y183-L187 HydrophobicContact CD2-CB 3.8Å; Y183-L187 HydrophobicContact CD2-CD1 4.25Å; Y183-L187 HydrophobicContact CE2-CB 4.04Å; Y183-L187 PolarHBondContact O-N 2.71Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.45Å; Y183-C188 PolarHBondContact O-N 2.67Å
184	L	98.5	Very high	97.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-68.6	-41.3	-174.5	-70	171.5	0	0	0	112.4	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.4Å; L150-L184 HydrophobicContact CD2-CD1 3.88Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 2.93Å; R181-L184 PolarHBondContact O-N 2.76Å; L184-V189 WeakPolarHBondContact O-CG2 3.36Å
185	E	98	Very high	97.8	Very high	90 Å²	90	60.9 Å²	60.9	42%	0.421	28%	0.283	S	S	.	.	I	π-helix	trans	-76.7	-25.2	177.2	-68.9	-179.7	165.8	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L154-E185 HydrophobicContact CD1-CG 4.2Å; R181-E185 HydrophobicContact CG-CG 4.1Å; R181-E185 IonicContact CZ-OE1 3.86Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 3.18Å; R181-E185 VanDerWaalsContact NE-CD 3.33Å; R181-E185 IonicContact NE-OE1 3.75Å; R181-E185 PolarHBondContact NE-OE1 2.87Å; R181-E185 IonicContact NE-OE2 3.11Å; R181-E185 PolarHBondContact NE-OE2 2.75Å; R181-E185 IonicContact NH2-OE1 3.12Å; R181-E185 PolarHBondContact NH2-OE1 2.87Å; R181-E185 IonicContact NH2-OE2 2.81Å; R181-E185 PolarHBondContact NH2-OE2 2.82Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 3.11Å
186	G	97.8	Very high	97.8	Very high	22 Å²	22	54.1 Å²	54.1	23%	0.227	26%	0.258	C	S	.	.	I	π-helix	trans	-108.3	-92.8	-176.9	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.87Å; Y183-G186 CarbonylContact O-C 3.55Å; Y183-G186 PolarHBondContact O-N 3.28Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.28Å; G186-V189 PolarHBondContact O-N 2.91Å; G186-V189 VanDerWaalsContact O-N 3.14Å; G186-E190 WeakPolarHBondContact O-CG 3.15Å; G186-E190 PolarHBondContact O-N 2.9Å
187	L	97.8	Very high	97.7	Very high	84 Å²	84	59.1 Å²	59.1	44%	0.44	28%	0.279	S	S	.	.	I	π-helix	trans	-56.3	-39.5	-169.7	-71.1	175.9	0	0	0	113.4	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.8Å; Y183-L187 HydrophobicContact CD2-CD1 4.25Å; Y183-L187 HydrophobicContact CE2-CB 4.04Å; Y183-L187 PolarHBondContact O-N 2.71Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; L187-E190 PolarHBondContact O-N 3.06Å; L187-W191 WeakPolarHBondContact O-CB 3.25Å; L187-W191 PolarHBondContact O-N 3.32Å
188	C	98.4	Very high	97.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.289	C	S	.	.	I	π-helix	trans	-59.5	-50.4	179.1	-171.7	0	0	0	0	111.1	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.25Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.14Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.41Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.15Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.45Å; Y183-C188 PolarHBondContact O-N 2.67Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.28Å; C188-E190 PolarHBondContact O-N 3.08Å; C188-W191 PolarHBondContact O-N 3.36Å; C188-L192 WeakPolarHBondContact O-CB 3.31Å; C188-L192 PolarHBondContact O-N 2.85Å
189	V	98.4	Very high	97.5	Very high	7 Å²	7	56 Å²	56	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-42	178.4	174.7	0	0	0	0	111.4	V127 G131 L133 L184 G186 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.38Å; V127-V189 HydrophobicContact CG1-CG1 3.98Å; V127-V189 HydrophobicContact CG1-CG2 3.95Å; G131-V189 WeakPolarHBondContact O-CG1 3.28Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.91Å; L184-V189 WeakPolarHBondContact O-CG2 3.36Å; G186-V189 PolarHBondContact O-N 2.91Å; G186-V189 VanDerWaalsContact O-N 3.14Å; V189-L192 PolarHBondContact O-N 2.82Å; V189-R193 WeakPolarHBondContact O-CB 3.42Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 2.84Å
190	E	98.2	Very high	97.3	Very high	118 Å²	118	56.3 Å²	56.3	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-61.6	-46.4	177.8	-72.2	177.5	-180	0	0	112.3	G186 L187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.15Å; G186-E190 PolarHBondContact O-N 2.9Å; L187-E190 PolarHBondContact O-N 3.06Å; C188-E190 PolarHBondContact O-N 3.08Å; E190-R194 PolarHBondContact O-N 2.83Å
191	W	98.1	Very high	96.9	Very high	41 Å²	41	63.6 Å²	63.6	16%	0.155	30%	0.298	C	S	.	.	H	α-helix	trans	-67	-43.1	177.5	-81.6	105.9	0	0	0	111.8	M29 Y83 L187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.33Å; Y83-W191 AromaticContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CZ2 4.28Å; Y83-W191 AromaticContact CD2-CZ3 3.77Å; Y83-W191 HydrophobicContact CD2-CZ3 3.77Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 AromaticContact CE2-CH2 3.96Å; Y83-W191 HydrophobicContact CE2-CH2 3.96Å; Y83-W191 AromaticContact CE2-CZ3 3.75Å; Y83-W191 HydrophobicContact CE2-CZ3 3.75Å; L187-W191 WeakPolarHBondContact O-CB 3.25Å; L187-W191 PolarHBondContact O-N 3.32Å; C188-W191 PolarHBondContact O-N 3.36Å; W191-R193 PolarHBondContact O-N 3.04Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.46Å; W191-R194 VanDerWaalsContact O-N 3.13Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 AromaticContact CE3-CE1 3.65Å; W191-Y195 HydrophobicContact CE3-CE1 3.65Å; W191-Y195 HydrophobicContact CE3-CE2 4.29Å; W191-Y195 AromaticContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-OH 3.27Å; W191-Y195 HydrophobicContact CZ3-CE1 4.06Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.44Å; W191-Y195 VanDerWaalsContact O-CG 3.27Å; W191-Y195 PolarHBondContact O-N 2.81Å
192	L	98.4	Very high	96.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-47.4	175.8	177	48.9	0	0	0	111.3	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.42Å; M29-L192 HydrophobicContact CB-CB 4.09Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 4.05Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.45Å; M29-L192 HydrophobicContact SD-CB 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V127-L192 HydrophobicContact CB-CD2 4.37Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.15Å; C188-L192 WeakPolarHBondContact O-CB 3.31Å; C188-L192 PolarHBondContact O-N 2.85Å; V189-L192 PolarHBondContact O-N 2.82Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.27Å; L192-Y195 PolarHBondContact O-N 2.78Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.45Å; L192-L196 HydrophobicContact CD1-CG 3.88Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.3Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.9Å
193	R	96.9	Very high	96.2	Very high	118 Å²	118	59.2 Å²	59.2	45%	0.445	27%	0.273	S	S	.	.	H	α-helix	trans	-60	-40.3	175.5	-71.8	174	-176.4	175.3	0.5	112.7	G131 V189 W191 K197	G131-R193 VanDerWaalsContact C-NH2 3.27Å; G131-R193 PolarHBondContact O-NE 3.17Å; G131-R193 PolarHBondContact O-NH2 3.25Å; V189-R193 WeakPolarHBondContact O-CB 3.42Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 2.84Å; W191-R193 PolarHBondContact O-N 3.04Å; R193-K197 WeakPolarHBondContact O-CB 3.46Å; R193-K197 PolarHBondContact O-N 3.03Å
194	R	97	Very high	95.8	Very high	119 Å²	119	61.5 Å²	61.5	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-45.7	175.5	177.9	176.6	174.7	132.5	-1.6	111.1	E79 E190 W191 L192 K197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.4Å; E79-R194 IonicContact OE1-NE 3.55Å; E79-R194 PolarHBondContact OE1-NE 3.02Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 2.89Å; E79-R194 IonicContact OE2-CZ 3.94Å; E79-R194 IonicContact OE2-NE 3.18Å; E79-R194 IonicContact OE2-NH2 3.96Å; E79-R194 PolarHBondContact OE2-NH2 2.85Å; E190-R194 PolarHBondContact O-N 2.83Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.46Å; W191-R194 VanDerWaalsContact O-N 3.13Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.27Å; R194-K197 WeakPolarHBondContact O-CB 3.39Å; R194-K197 PolarHBondContact O-N 2.75Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.35Å; R194-N198 PolarHBondContact O-N 2.92Å; R194-N198 PolarHBondContact O-OD1 2.85Å
195	Y	97.5	Very high	95.3	Very high	1 Å²	1	65.3 Å²	65.3	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-42.3	178.5	-61.5	-33	0	0	0	112.4	M29 V52 F57 W75 V76 Y83 W191 L192 K197 N198 G199	M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 3.94Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 AromaticContact CE2-CE2 3.84Å; F57-Y195 HydrophobicContact CE2-CE2 3.84Å; F57-Y195 AromaticContact CE2-CZ 3.98Å; F57-Y195 HydrophobicContact CZ-CD2 4.44Å; F57-Y195 AromaticContact CZ-CE2 3.86Å; F57-Y195 HydrophobicContact CZ-CE2 3.86Å; W75-Y195 HydrophobicContact CE3-CD1 4.15Å; W75-Y195 HydrophobicContact CE3-CG 4.4Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.53Å; W75-Y195 HydrophobicContact CZ3-CD1 3.53Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 HydrophobicContact CZ3-CE1 4.26Å; W75-Y195 AromaticContact CZ3-CG 3.54Å; W75-Y195 HydrophobicContact CZ3-CG 3.54Å; V76-Y195 HydrophobicContact CG2-CE1 4.21Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.17Å; Y83-Y195 PolarHBondContact OH-OH 3.04Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 AromaticContact CE3-CE1 3.65Å; W191-Y195 HydrophobicContact CE3-CE1 3.65Å; W191-Y195 HydrophobicContact CE3-CE2 4.29Å; W191-Y195 AromaticContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-OH 3.27Å; W191-Y195 HydrophobicContact CZ3-CE1 4.06Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.44Å; W191-Y195 VanDerWaalsContact O-CG 3.27Å; W191-Y195 PolarHBondContact O-N 2.81Å; L192-Y195 PolarHBondContact O-N 2.78Å; Y195-K197 VanDerWaalsContact C-N 3.27Å; Y195-K197 PolarHBondContact O-N 3.43Å; Y195-N198 PolarHBondContact O-N 2.7Å; Y195-G199 PolarHBondContact O-N 2.81Å
196	L	96.1	Very high	95	Very high	14 Å²	14	63 Å²	63	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-36.2	174.3	-70.5	169.1	0	0	0	112.3	H27 V52 L192 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4.03Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.36Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.45Å; L192-L196 HydrophobicContact CD1-CG 3.88Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.3Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.9Å; L196-K200 VanDerWaalsContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CA 3.22Å; L196-K200 PolarHBondContact O-N 3.37Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.76Å
197	K	95.6	Very high	94.9	Very high	167 Å²	167	65 Å²	65	73%	0.726	30%	0.299	S	S	*	.	H	α-helix	trans	-68.8	-45.1	174	-176.2	-179.7	178.6	-177.6	0	111.7	R193 R194 Y195	R193-K197 WeakPolarHBondContact O-CB 3.46Å; R193-K197 PolarHBondContact O-N 3.03Å; R194-K197 WeakPolarHBondContact O-CB 3.39Å; R194-K197 PolarHBondContact O-N 2.75Å; Y195-K197 VanDerWaalsContact C-N 3.27Å; Y195-K197 PolarHBondContact O-N 3.43Å
198	N	96.1	Very high	94.8	Very high	52 Å²	52	65.7 Å²	65.7	28%	0.278	30%	0.3	S	S	.	.	H	α-helix	trans	-67.9	-42.1	-177.8	-75.3	-0.3	0	0	0	112.3	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.38Å; Q78-N198 PolarHBondContact NE2-ND2 3.27Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.18Å; E79-N198 PolarHBondContact OE1-ND2 2.9Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.35Å; R194-N198 PolarHBondContact O-N 2.92Å; R194-N198 PolarHBondContact O-OD1 2.85Å; Y195-N198 PolarHBondContact O-N 2.7Å
199	G	95.3	Very high	94.7	Very high	3 Å²	3	66 Å²	66	3%	0.031	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	27	-178.1	0	0	0	0	0	113.3	Y195 E201 T202 L203	Y195-G199 PolarHBondContact O-N 2.81Å; G199-E201 PolarHBondContact O-N 3.39Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 PolarHBondContact O-N 3.2Å; G199-T202 PolarHBondContact O-OG1 3.1Å; G199-L203 WeakPolarHBondContact O-CB 3.47Å; G199-L203 PolarHBondContact O-N 2.93Å
200	K	92.8	Very high	94.7	Very high	133 Å²	133	73 Å²	73	58%	0.578	33%	0.332	S	S	*	.	H	α-helix	trans	-50.8	-43.1	-174	-176.5	179.5	179.7	-175.5	0	112.9	L196 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CA 3.22Å; L196-K200 PolarHBondContact O-N 3.37Å; K200-T202 VanDerWaalsContact C-N 3.25Å; K200-T202 PolarHBondContact O-N 2.86Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.27Å; K200-Q204 PolarHBondContact O-N 2.91Å
201	E	90.1	Very high	94.7	Very high	180 Å²	180	69 Å²	69	84%	0.841	32%	0.316	S	S	*	.	H	α-helix	trans	-66.7	-25.1	-178.1	-63.1	-178.5	171.3	0	0	113.5	G199	G199-E201 PolarHBondContact O-N 3.39Å; G199-E201 VanDerWaalsContact O-N 3.16Å
202	T	90	Very high	94.6	Very high	43 Å²	43	71 Å²	71	26%	0.264	33%	0.327	S	S	.	.	H	α-helix	trans	-105.9	-35	-177.2	52.4	0	0	0	0	113.7	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.26Å; G199-T202 PolarHBondContact O-N 3.2Å; G199-T202 PolarHBondContact O-OG1 3.1Å; K200-T202 VanDerWaalsContact C-N 3.25Å; K200-T202 PolarHBondContact O-N 2.86Å; T202-R205 WeakPolarHBondContact O-CG 3.35Å; T202-R205 PolarHBondContact O-NE 3.19Å
203	L	91.4	Very high	94.6	Very high	4 Å²	4	72 Å²	72	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-93.5	-27.9	-173	-63.1	172.3	0	0	0	112.7	V52 T55 W75 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.09Å; W75-L203 HydrophobicContact CD2-CD1 4.38Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 WeakPolarHBondContact O-CB 3.47Å; G199-L203 PolarHBondContact O-N 2.93Å
204	Q	88.5	Confident	94.6	Very high	95 Å²	95	68 Å²	68	44%	0.444	32%	0.321	S	S	.	.	S	Bend	trans	-105.5	25.6	178	-58.7	177.7	31.9	0	0	111.6	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.76Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.27Å; K200-Q204 PolarHBondContact O-N 2.91Å
205	R	89.8	Confident	94.5	Very high	81 Å²	81	64.9 Å²	64.9	31%	0.306	31%	0.312	S	S	.	.			trans	-99	147.6	170.8	76.8	-173.1	173.3	-178.6	10.3	108.6	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.35Å; T202-R205 PolarHBondContact O-NE 3.19Å; R205-E207 IonicContact CZ-OE1 2.77Å; R205-E207 IonicContact NE-OE1 3.53Å; R205-E207 PolarHBondContact NE-OE1 3.11Å; R205-E207 IonicContact NH1-OE1 2.92Å; R205-E207 PolarHBondContact NH1-OE1 3.03Å; R205-E207 IonicContact NH2-OE1 3.29Å; R205-E207 PolarHBondContact NH2-OE1 3.28Å; R205-Y233 HydrophobicContact CG-CD1 4.19Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.18Å
206	A	91.8	Very high	94.4	Very high	40 Å²	40	68.5 Å²	68.5	33%	0.331	33%	0.329	S	S	.	.			trans	-118.9	121.1	164.9	0	0	0	0	0	108.2	Y233 E288	A206-Y233 CarbonylContact C-O 3.57Å; A206-Y233 WeakPolarHBondContact CA-O 3.15Å; A206-E288 HydrophobicContact CB-CG 3.78Å
207	E	94.2	Very high	94.2	Very high	65 Å²	65	72.8 Å²	72.8	30%	0.304	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-97.7	120.2	174.4	-67.1	-172.5	-147	0	0	108.7	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 2.77Å; R205-E207 IonicContact NE-OE1 3.53Å; R205-E207 PolarHBondContact NE-OE1 3.11Å; R205-E207 IonicContact NH1-OE1 2.92Å; R205-E207 PolarHBondContact NH1-OE1 3.03Å; R205-E207 IonicContact NH2-OE1 3.29Å; R205-E207 PolarHBondContact NH2-OE1 3.28Å; E207-F232 VanDerWaalsContact O-CA 3.23Å; E207-F232 WeakPolarHBondContact O-CA 3.36Å; E207-F232 WeakPolarHBondContact O-CB 3.35Å; E207-Y233 PolarHBondContact N-O 3Å; E207-Y233 PolarHBondContact O-N 2.81Å; E207-Y233 VanDerWaalsContact O-N 3.12Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.46Å; E207-H287 PolarHBondContact O-CE1 3.16Å
208	H	95.2	Very high	94	Very high	98 Å²	98	69.5 Å²	69.5	45%	0.454	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-70.4	144.1	-177.9	-53.4	-100.3	0	0	0	111.7	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.17Å; H208-G289 PolarHBondContact CE1-O 3.47Å; H208-G289 PolarHBondContact ND1-O 3.19Å; H208-L290 HydrophobicContact CB-CD2 4.12Å; H208-L290 PolarHBondContact ND1-N 2.87Å
209	P	97.6	Very high	93.8	Very high	8 Å²	8	69.4 Å²	69.4	5%	0.052	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.3	130.3	176	28.2	-34.9	0	0	0	111.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.28Å; P209-A229 HydrophobicContact CB-CB 3.89Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.15Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CG 4.23Å
210	K	97.8	Very high	93.5	Very high	154 Å²	154	76.5 Å²	76.5	67%	0.67	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	111.4	163.9	-64.9	171.1	-173.1	164.8	0	107.6	H208 L230	H208-K210 PolarHBondContact O-N 3.17Å; K210-L230 HydrophobicContact CB-CB 4.49Å; K210-L230 PolarHBondContact N-O 3.43Å; K210-L230 PolarHBondContact O-N 2.83Å
211	T	97.8	Very high	93.5	Very high	34 Å²	34	77 Å²	77	21%	0.209	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.6	-171.6	57.4	0	0	0	0	112.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.28Å; T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-W228 WeakPolarHBondContact CB-O 3.43Å; T211-A229 HydrophobicContact CG2-CB 4.25Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.42Å; T211-L296 VanDerWaalsContact CB-CD1 3.42Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.21Å
212	H	97	Very high	93.7	Very high	83 Å²	83	72.9 Å²	72.9	38%	0.384	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	158.7	173.1	62.4	-75.1	0	0	0	110.3	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.42Å; H212-W228 AromaticContact CE1-CD1 3.97Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.79Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.43Å
213	V	98	Very high	93.9	Very high	21 Å²	21	70.9 Å²	70.9	13%	0.127	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.3	175.9	-179.2	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.34Å; V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.4Å; V213-C227 HydrophobicContact CG2-CB 4.41Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.6	Very high	94.2	Very high	33 Å²	33	71.7 Å²	71.7	20%	0.202	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.4	174.1	50.5	0	0	0	0	110.1	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.84Å; T214-L225 WeakPolarHBondContact O-CA 3.23Å; T214-R226 PolarHBondContact N-O 3.43Å; T214-R226 PolarHBondContact O-N 2.81Å; T214-R226 WeakPolarHBondContact OG1-CB 3.37Å; T214-R226 PolarHBondContact OG1-O 2.89Å; T214-R226 VanDerWaalsContact OG1-O 3.08Å; T214-W228 PolarHBondContact OG1-NE1 3.02Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å
215	H	95.6	Very high	94.7	Very high	54 Å²	54	67.2 Å²	67.2	25%	0.25	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.7	179.9	170.2	-92.3	0	0	0	109.5	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.12Å; H215-L225 HydrophobicContact CB-CD2 3.95Å; H215-E278 IonicContact NE2-OE1 2.7Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.15Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.96Å
216	H	94.6	Very high	95.1	Very high	77 Å²	77	65.9 Å²	65.9	36%	0.356	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	103.7	-178.4	-58.2	-67.4	0	0	0	109.4	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.84Å; H216-V218 PolarHBondContact O-N 3.43Å; H216-A223 CarbonylContact O-C 3.47Å; H216-A223 WeakPolarHBondContact O-CA 3.03Å; H216-T224 PolarHBondContact N-O 2.95Å; H216-T224 PolarHBondContact O-N 2.84Å; H216-R226 PolarHBondContact CD2-NH1 3.05Å; H216-R226 VanDerWaalsContact CD2-NH1 3.29Å; H216-R226 PolarHBondContact NE2-NH1 3.01Å
217	P	93.5	Very high	95.4	Very high	104 Å²	104	64 Å²	64	68%	0.675	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	131.4	173.6	-20	30.3	0	0	0	110.6
218	V	91.1	Very high	95.6	Very high	97 Å²	97	63.2 Å²	63.2	59%	0.588	32%	0.322	S	S	*	.			trans	-105.1	-42.2	176.2	-178.8	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.43Å; V218-E222 PolarHBondContact N-O 2.97Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.22Å
219	S	91.4	Very high	95.7	Very high	51 Å²	51	58.6 Å²	58.6	36%	0.357	30%	0.3	S	S	.	.	S	Bend	trans	-146.7	-178.3	175.2	72.7	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 3.08Å; S219-H221 PolarHBondContact OG-N 3.22Å; S219-E222 PolarHBondContact N-O 2.96Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.99Å
220	D	88.7	Confident	95.7	Very high	151 Å²	151	60.8 Å²	60.8	81%	0.807	31%	0.311	S	S	*	.	S	Bend	trans	-66.8	-10.1	172.9	-65.7	-22.5	0	0	0	113.3
221	H	92.3	Very high	95.7	Very high	143 Å²	143	54.3 Å²	54.3	66%	0.662	29%	0.288	S	S	*	.	S	Bend	trans	-115.7	-16.1	-175.5	-55	-44.1	0	0	0	113.3	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.08Å; S219-H221 PolarHBondContact OG-N 3.22Å; H221-P274 WeakPolarHBondContact O-CA 3.49Å; H221-S275 PolarHBondContact O-N 3.43Å; H221-S275 PolarHBondContact O-OG 3.5Å
222	E	94.8	Very high	95.7	Very high	95 Å²	95	52.7 Å²	52.7	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.1	-170.6	-67.1	178.4	174.8	0	0	112	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.97Å; S219-E222 PolarHBondContact N-O 2.96Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.99Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; E222-V273 WeakPolarHBondContact CA-O 3.49Å; E222-S275 PolarHBondContact N-OG 2.81Å
223	A	95.4	Very high	95.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.7	171.3	0	0	0	0	0	110.5	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.12Å; H216-A223 CarbonylContact O-C 3.47Å; H216-A223 WeakPolarHBondContact O-CA 3.03Å; A223-V272 WeakPolarHBondContact O-CA 3.31Å; A223-V273 HydrophobicContact CB-CG2 4.44Å; A223-V273 PolarHBondContact N-O 2.04Å; A223-V273 WeakPolarHBondContact O-CG2 3.3Å; A223-V273 PolarHBondContact O-N 3.14Å
224	T	97.1	Very high	95.5	Very high	21 Å²	21	48.7 Å²	48.7	13%	0.129	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.7	169.6	-54.7	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.95Å; H216-T224 PolarHBondContact O-N 2.84Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.22Å; T224-A270 HydrophobicContact CG2-CB 3.93Å; T224-V271 WeakPolarHBondContact CA-O 3.38Å
225	L	97.7	Very high	95.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.1	164.7	-64.6	-176.7	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.37Å; V213-L225 HydrophobicContact CG1-CD2 4.34Å; T214-L225 WeakPolarHBondContact O-CA 3.23Å; H215-L225 HydrophobicContact CB-CD2 3.95Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.05Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 3.19Å; L225-V271 PolarHBondContact O-N 3.35Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CG 4.45Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.95Å
226	R	98.1	Very high	95.5	Very high	53 Å²	53	50.7 Å²	50.7	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.4	176.3	-179.7	-177.5	-62.5	115.7	-0.1	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.4Å; T214-R226 PolarHBondContact N-O 3.43Å; T214-R226 PolarHBondContact O-N 2.81Å; T214-R226 WeakPolarHBondContact OG1-CB 3.37Å; T214-R226 PolarHBondContact OG1-O 2.89Å; T214-R226 VanDerWaalsContact OG1-O 3.08Å; H216-R226 PolarHBondContact CD2-NH1 3.05Å; H216-R226 VanDerWaalsContact CD2-NH1 3.29Å; H216-R226 PolarHBondContact NE2-NH1 3.01Å; R226-W228 VanDerWaalsContact CD-CE2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.23Å; R226-A269 WeakPolarHBondContact CA-O 3.29Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.2	Very high	95.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.8	175.6	-173.7	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.41Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.44Å; C227-W268 WeakPolarHBondContact O-CB 3.49Å; C227-A269 PolarHBondContact N-O 2.69Å; C227-A269 PolarHBondContact O-N 3.35Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.35Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.85Å
228	W	98.4	Very high	95.7	Very high	50 Å²	50	44.7 Å²	44.7	19%	0.189	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.3	-179.8	-70.1	89.3	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-W228 WeakPolarHBondContact CB-O 3.43Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.42Å; H212-W228 AromaticContact CE1-CD1 3.97Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.79Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.43Å; T214-W228 PolarHBondContact OG1-NE1 3.02Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å; R226-W228 VanDerWaalsContact CD-CE2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å
229	A	98.4	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.3	162.7	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.89Å; T211-A229 HydrophobicContact CG2-CB 4.25Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.18Å; A229-K267 PolarHBondContact N-O 3.17Å; A229-K267 PolarHBondContact O-N 3.43Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.3	Very high	96.3	Very high	54 Å²	54	39.8 Å²	39.8	28%	0.283	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.2	-174.7	-58.4	176.8	0	0	0	111	K210 W228 F232 Q266	K210-L230 HydrophobicContact CB-CB 4.49Å; K210-L230 PolarHBondContact N-O 3.43Å; K210-L230 PolarHBondContact O-N 2.83Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; L230-F232 PolarHBondContact O-N 3.33Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.3	Very high	96.7	Very high	18 Å²	18	32.7 Å²	32.7	19%	0.186	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.1	35.2	168.4	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.46Å; G231-F265 PolarHBondContact N-O 3.5Å
232	F	97.2	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.6	178.6	59.6	-89.5	0	0	0	112.2	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 VanDerWaalsContact O-CA 3.23Å; E207-F232 WeakPolarHBondContact O-CA 3.36Å; E207-F232 WeakPolarHBondContact O-CB 3.35Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; L230-F232 PolarHBondContact O-N 3.33Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.39Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.24Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CD2-CG2 4.5Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.89Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.48Å; F232-F265 WeakPolarHBondContact CD1-O 3.4Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.42Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 2.97Å; F232-F265 PolarHBondContact O-N 2.97Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.66Å
233	Y	95.6	Very high	96.9	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.012	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-151.2	136	173.4	178.3	-84	0	0	0	108.2	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.08Å; T55-Y233 PolarHBondContact OG1-OH 3.3Å; R205-Y233 HydrophobicContact CG-CD1 4.19Å; R205-Y233 VanDerWaalsContact O-CD1 3.32Å; R205-Y233 WeakPolarHBondContact O-CD1 3.18Å; A206-Y233 CarbonylContact C-O 3.57Å; A206-Y233 WeakPolarHBondContact CA-O 3.15Å; E207-Y233 PolarHBondContact N-O 3Å; E207-Y233 PolarHBondContact O-N 2.81Å; E207-Y233 VanDerWaalsContact O-N 3.12Å; Y233-G263 WeakPolarHBondContact CD2-O 3.37Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 HydrophobicContact CD2-CE2 4.01Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; Y233-H287 PolarHBondContact O-CE1 3.45Å
234	P	95.2	Very high	96.8	Very high	18 Å²	18	31.8 Å²	31.8	12%	0.117	16%	0.162	C	C	.	.	S	Bend	cis	-70.4	-178.1	2.9	29.5	-35.9	0	0	0	114.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.25Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.39Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.43Å; P234-H287 PolarHBondContact O-NE2 3.35Å; P234-E288 WeakPolarHBondContact CD-OE1 3.07Å; P234-E288 HydrophobicContact CG-CG 4.29Å
235	A	96.2	Very high	96.4	Very high	16 Å²	16	33 Å²	33	13%	0.132	18%	0.179	C	C	.	.	S	Bend	trans	-72	-24.5	-177	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.26Å; D54-A235 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 PolarHBondContact OD2-N 2.92Å; A235-I237 PolarHBondContact O-N 2.92Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-T257 WeakPolarHBondContact O-CG2 3.44Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.66Å
236	E	95.4	Very high	96.1	Very high	113 Å²	113	39.2 Å²	39.2	53%	0.528	21%	0.208	S	C	.	.			trans	-68.2	116.8	-177.8	-170.6	59.6	-144.5	0	0	110.2	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.47Å; W23-E236 HydrophobicContact CE3-CG 4.25Å; W23-E236 HydrophobicContact CH2-CB 4.32Å; W23-E236 HydrophobicContact CH2-CG 3.39Å; W23-E236 HydrophobicContact CZ2-CG 3.57Å; W23-E236 HydrophobicContact CZ3-CB 4.22Å; W23-E236 HydrophobicContact CZ3-CG 3.72Å; W23-E236 WeakPolarHBondContact CZ3-O 3.27Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.43Å; E236-H287 PolarHBondContact O-CD2 3.39Å; E236-H287 VanDerWaalsContact O-CD2 3.31Å
237	I	96.2	Very high	95.9	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.046	22%	0.223	C	C	.	.			trans	-152.7	143.1	-176.5	-164.3	171.1	0	0	0	109.7	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.24Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CD2-CG2 4.5Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.89Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 2.92Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 VanDerWaalsContact CG1-O 3.27Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å
238	T	96.8	Very high	95.6	Very high	45 Å²	45	42.7 Å²	42.7	28%	0.276	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.4	174.1	-61.8	0	0	0	0	110.4	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.32Å; T238-Q286 PolarHBondContact N-O 3.02Å; T238-Q286 PolarHBondContact O-N 3.34Å
239	L	97.4	Very high	95	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.7	173	-86.7	63	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.17Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.11Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.45Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97	Very high	94.5	Very high	38 Å²	38	54.3 Å²	54.3	23%	0.233	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.4	176.3	56.9	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; T240-H284 PolarHBondContact N-O 3.3Å; T240-H284 PolarHBondContact O-N 3.38Å
241	W	97.8	Very high	93.9	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.7	169	-82.3	104	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 2.92Å; W241-A269 PolarHBondContact NE1-O 3.31Å; W241-V271 HydrophobicContact CB-CG1 3.7Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 4.02Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-T282 WeakPolarHBondContact CA-O 3.35Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97	Very high	93.7	Very high	40 Å²	40	57.6 Å²	57.6	19%	0.187	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.7	173.3	-69.3	-173.8	-7.6	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.34Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.12Å; Q242-D247 PolarHBondContact NE2-OD1 2.77Å; Q242-Y281 CarbonylContact O-C 3.52Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.45Å; Q242-T282 PolarHBondContact N-O 3.3Å; Q242-T282 PolarHBondContact O-N 3.2Å; Q242-H284 PolarHBondContact OE1-NE2 2.67Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.1Å
243	W	94.8	Very high	93.7	Very high	75 Å²	75	63.1 Å²	63.1	28%	0.284	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.8	170	176.1	75.8	0	0	0	108.5	G245 E246 Q248 E277 R280 Y281	W243-G245 PolarHBondContact O-N 3.14Å; W243-E246 PolarHBondContact N-O 3.2Å; W243-E246 PolarHBondContact O-N 3.38Å; W243-Q248 HydrophobicContact CB-CG 3.98Å; W243-E277 PolarHBondContact NE1-OE2 3.42Å; W243-R280 VanDerWaalsContact CE2-NH2 3.26Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.26Å; W243-R280 VanDerWaalsContact NE1-CZ 3.26Å; W243-Y281 HydrophobicContact CB-CD1 4.26Å; W243-Y281 HydrophobicContact CB-CE1 4.02Å; W243-Y281 AromaticContact CD1-CE2 3.57Å; W243-Y281 AromaticContact CD1-CZ 3.56Å; W243-Y281 HydrophobicContact CG-CE1 4.31Å
244	D	92	Very high	93.7	Very high	105 Å²	105	67.2 Å²	67.2	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	30.2	-172.9	-69.6	-21.5	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 3.43Å; D244-R280 IonicContact OD1-NE 3.7Å; D244-R280 IonicContact OD2-CZ 3.74Å; D244-R280 IonicContact OD2-NE 2.81Å; D244-R280 PolarHBondContact OD2-NE 3.07Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 3.36Å
245	G	88.6	Confident	93.8	Very high	47 Å²	47	67.9 Å²	67.9	49%	0.485	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-0.7	-179.8	0	0	0	0	0	115.6	W243	W243-G245 PolarHBondContact O-N 3.14Å
246	E	92.8	Very high	93.8	Very high	131 Å²	131	75.3 Å²	75.3	61%	0.612	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.1	175.5	-63.2	-169.5	167.4	0	0	111.8	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.34Å; W243-E246 PolarHBondContact N-O 3.2Å; W243-E246 PolarHBondContact O-N 3.38Å; E246-Q248 PolarHBondContact O-NE2 2.94Å
247	D	93	Very high	93.9	Very high	94 Å²	94	72.1 Å²	72.1	50%	0.503	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.4	-178.6	-70	-26.3	0	0	0	112.5	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.12Å; Q242-D247 PolarHBondContact NE2-OD1 2.77Å
248	Q	92.8	Very high	94	Very high	32 Å²	32	76.4 Å²	76.4	15%	0.15	40%	0.395	C	S	.	.			trans	-103.3	38.3	-177	-59.5	-58.5	-59.8	0	0	112.6	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 2.92Å; W243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 2.94Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.9Å; Q248-D251 PolarHBondContact O-N 3.41Å; Q248-T252 WeakPolarHBondContact O-CB 3.33Å; Q248-T252 PolarHBondContact O-N 3.37Å; Q248-T252 VanDerWaalsContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 2.98Å; Q248-Y281 HydrophobicContact CG-CE1 4.43Å
249	T	86.2	Confident	94	Very high	104 Å²	104	78.7 Å²	78.7	64%	0.638	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.1	-168.8	-47	0	0	0	0	114.1
250	Q	86.4	Confident	94	Very high	190 Å²	190	80.7 Å²	80.7	89%	0.888	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-32.4	-178.1	-67.2	-173.2	5.1	0	0	113.1	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.9Å
251	D	85.9	Confident	93.8	Very high	118 Å²	118	82.5 Å²	82.5	63%	0.631	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	1.2	-177.6	-56.7	-56.7	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.41Å
252	T	93.8	Very high	93.5	Very high	23 Å²	23	87.7 Å²	87.7	14%	0.141	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.9	178.3	-62.5	0	0	0	0	111	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.33Å; Q248-T252 PolarHBondContact O-N 3.37Å; Q248-T252 VanDerWaalsContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 2.98Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 2.97Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.23Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.49Å
253	E	96.4	Very high	93.3	Very high	115 Å²	115	87.8 Å²	87.8	54%	0.537	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	105.6	162.7	-173.8	-174.1	-172	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 HydrophobicContact CG-CH2 3.93Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.34Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.36Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.82Å; E253-A270 PolarHBondContact O-N 2.9Å
254	L	96.6	Very high	93.4	Very high	90 Å²	90	84.5 Å²	84.5	47%	0.471	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.8	178.1	-174	68.6	0	0	0	110.2	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 2.97Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	96.7	Very high	93.7	Very high	32 Å²	32	80.9 Å²	80.9	19%	0.194	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-84.2	153.1	175.1	-64.6	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.04Å; V255-K267 WeakPolarHBondContact O-CG 3.14Å; V255-K267 PolarHBondContact O-NZ 2.83Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.18Å; V255-W268 PolarHBondContact N-O 3.21Å
256	E	96.6	Very high	94.1	Very high	172 Å²	172	80.7 Å²	80.7	80%	0.804	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-57.7	147.8	167.5	-68.1	-174.8	172.7	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.16Å
257	T	97.8	Very high	94.4	Very high	45 Å²	45	75.5 Å²	75.5	28%	0.276	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.9	130.1	174.6	-56.2	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-T257 WeakPolarHBondContact O-CG2 3.44Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.29Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å
258	R	97.3	Very high	94.6	Very high	99 Å²	99	72.2 Å²	72.2	37%	0.374	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.2	-174.9	69.1	-167.6	-179.4	-174.9	3.3	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.16Å; R258-F265 WeakPolarHBondContact O-CA 3.38Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.37Å; R258-Q266 PolarHBondContact O-N 3.48Å
259	P	97.1	Very high	94.9	Very high	93 Å²	93	70.7 Å²	70.7	60%	0.604	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	144.6	178	28.6	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.3Å
260	A	96.6	Very high	95.4	Very high	49 Å²	49	65.9 Å²	65.9	41%	0.405	37%	0.367	S	S	.	.			trans	-87.6	-18.1	172.8	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.22Å; A260-T264 PolarHBondContact N-O 3.35Å
261	G	93.4	Very high	96	Very high	76 Å²	76	57.1 Å²	57.1	78%	0.784	33%	0.327	S	S	*	.	S	Bend	trans	96.9	-7.5	178.6	0	0	0	0	0	114.9
262	D	92.7	Very high	96.5	Very high	112 Å²	112	55.4 Å²	55.4	60%	0.599	32%	0.32	S	S	*	.	S	Bend	trans	-103.8	10.7	175.8	60	2.2	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 3.04Å; D262-T264 PolarHBondContact OD1-OG1 2.86Å
263	G	91.6	Very high	96.6	Very high	41 Å²	41	54.3 Å²	54.3	42%	0.423	31%	0.314	S	S	.	.	S	Bend	trans	90.6	-1.1	-173.9	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.37Å
264	T	96.6	Very high	96.5	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.043	30%	0.304	C	S	.	.			trans	-104.2	173	173.4	73.9	0	0	0	0	112.3	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.46Å; G231-T264 WeakPolarHBondContact CA-OG1 3.46Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.48Å; A260-T264 WeakPolarHBondContact CB-O 3.22Å; A260-T264 PolarHBondContact N-O 3.35Å; D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 3.04Å; D262-T264 PolarHBondContact OD1-OG1 2.86Å
265	F	98.1	Very high	96.3	Very high	28 Å²	28	49.8 Å²	49.8	12%	0.123	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	163.1	-177.4	-63.7	-86.4	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 3.5Å; F232-F265 WeakPolarHBondContact CD1-O 3.4Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.42Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 2.97Å; F232-F265 PolarHBondContact O-N 2.97Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 HydrophobicContact CD2-CE2 4.01Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.66Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.38Å; P259-F265 HydrophobicContact CB-CE1 4.3Å
266	Q	98.2	Very high	96	Very high	44 Å²	44	51.4 Å²	51.4	21%	0.206	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.7	174.7	41.3	166.2	-20	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.18Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.37Å; R258-Q266 PolarHBondContact O-N 3.48Å
267	K	98.5	Very high	95.8	Very high	21 Å²	21	46.2 Å²	46.2	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.8	177.4	-162.4	-176	-172.1	70	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.17Å; A229-K267 PolarHBondContact O-N 3.43Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; 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 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.04Å; V255-K267 WeakPolarHBondContact O-CG 3.14Å; V255-K267 PolarHBondContact O-NZ 2.83Å; T257-K267 WeakPolarHBondContact OG1-CD 3.29Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å
268	W	98.3	Very high	95.6	Very high	26 Å²	26	45 Å²	45	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.2	169.4	59	-98.4	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.23Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.44Å; C227-W268 WeakPolarHBondContact O-CB 3.49Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 HydrophobicContact CG-CH2 3.93Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.34Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.18Å; V255-W268 PolarHBondContact N-O 3.21Å; W268-A270 HydrophobicContact CE3-CB 3.96Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
269	A	98.2	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.3	174.7	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.29Å; C227-A269 PolarHBondContact N-O 2.69Å; C227-A269 PolarHBondContact O-N 3.35Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 3.31Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.36Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	97.8	Very high	95.4	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145	-179.7	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.93Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.05Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.82Å; E253-A270 PolarHBondContact O-N 2.9Å; W268-A270 HydrophobicContact CE3-CB 3.96Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
271	V	97.3	Very high	95.4	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.2	174.6	-73.2	0	0	0	0	109.4	T224 L225 W241 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.38Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 3.19Å; L225-V271 PolarHBondContact O-N 3.35Å; W241-V271 HydrophobicContact CB-CG1 3.7Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 4.02Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.61Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.23Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.49Å; V271-V273 HydrophobicContact CB-CG1 4.39Å; V271-V273 HydrophobicContact CG2-CG1 3.78Å; V271-Y281 HydrophobicContact CG2-CD1 4.09Å
272	V	96.6	Very high	95.6	Very high	83 Å²	83	39.5 Å²	39.5	50%	0.503	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.1	169	-178.5	0	0	0	0	107.6	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; A223-V272 WeakPolarHBondContact O-CA 3.31Å
273	V	95.5	Very high	95.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144	-175.1	-53.3	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.44Å; A223-V273 PolarHBondContact N-O 2.04Å; A223-V273 WeakPolarHBondContact O-CG2 3.3Å; A223-V273 PolarHBondContact O-N 3.14Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; V271-V273 HydrophobicContact CB-CG1 4.39Å; V271-V273 HydrophobicContact CG2-CG1 3.78Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.77Å; V273-Y281 HydrophobicContact CG1-CD2 3.54Å; V273-Y281 HydrophobicContact CG1-CE1 3.71Å; V273-Y281 HydrophobicContact CG1-CE2 3.5Å; V273-Y281 HydrophobicContact CG1-CG 3.67Å
274	P	95.3	Very high	96.1	Very high	51 Å²	51	33.8 Å²	33.8	33%	0.331	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	141.4	170.6	-20.4	32.4	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.49Å; P274-G276 PolarHBondContact O-N 3.49Å; P274-E277 HydrophobicContact CB-CB 4.35Å; P274-E277 HydrophobicContact CB-CG 4.2Å; P274-E277 PolarHBondContact O-N 2.93Å; P274-E277 VanDerWaalsContact O-N 3.08Å
275	S	91.6	Very high	96.2	Very high	58 Å²	58	33.5 Å²	33.5	41%	0.406	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	128.2	175.8	-63.4	0	0	0	0	111.2	H221 E222 E278	H221-S275 PolarHBondContact O-N 3.43Å; H221-S275 PolarHBondContact O-OG 3.5Å; E222-S275 PolarHBondContact N-OG 2.81Å; S275-E278 WeakPolarHBondContact CA-OE1 3.48Å
276	G	90.5	Very high	96.1	Very high	67 Å²	67	35.4 Å²	35.4	69%	0.691	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	-9.1	-176.7	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.49Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 3.41Å
277	E	93.8	Very high	95.9	Very high	62 Å²	62	33.8 Å²	33.8	29%	0.29	19%	0.188	S	C	.	.			trans	-99.2	3.2	175.9	-65.7	-158.7	-155.9	0	0	113.6	W243 P274 Q279 R280 Y281	W243-E277 PolarHBondContact NE1-OE2 3.42Å; P274-E277 HydrophobicContact CB-CB 4.35Å; P274-E277 HydrophobicContact CB-CG 4.2Å; P274-E277 PolarHBondContact O-N 2.93Å; P274-E277 VanDerWaalsContact O-N 3.08Å; E277-Q279 PolarHBondContact O-N 2.68Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3.35Å; E277-R280 IonicContact OE1-NH1 3.89Å; E277-R280 IonicContact OE2-CZ 3.7Å; E277-R280 IonicContact OE2-NH1 2.74Å; E277-R280 PolarHBondContact OE2-NH1 3.19Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.47Å
278	E	93.8	Very high	95.6	Very high	21 Å²	21	36.2 Å²	36.2	10%	0.098	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.6	-31.7	-171	-57	83.3	177.4	0	0	112.8	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.7Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CG 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.48Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 3.41Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 2.87Å; E278-Y281 PolarHBondContact O-N 2.99Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.78Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	93.8	Very high	95.2	Very high	84 Å²	84	35.5 Å²	35.5	39%	0.393	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-74.2	-15	-179.2	-63.9	-57.8	-48.5	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.68Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å; Q279-W298 PolarHBondContact NE2-O 3.03Å
280	R	95.3	Very high	95	Very high	83 Å²	83	36.7 Å²	36.7	31%	0.313	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-79.7	-18.4	174.3	-61.2	176.7	70	-169.3	3.7	112.1	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-NH2 3.26Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.26Å; W243-R280 VanDerWaalsContact NE1-CZ 3.26Å; D244-R280 PolarHBondContact N-O 3.43Å; D244-R280 IonicContact OD1-NE 3.7Å; D244-R280 IonicContact OD2-CZ 3.74Å; D244-R280 IonicContact OD2-NE 2.81Å; D244-R280 PolarHBondContact OD2-NE 3.07Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 3.36Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3.35Å; E277-R280 IonicContact OE1-NH1 3.89Å; E277-R280 IonicContact OE2-CZ 3.7Å; E277-R280 IonicContact OE2-NH1 2.74Å; E277-R280 PolarHBondContact OE2-NH1 3.19Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 2.87Å
281	Y	96.5	Very high	94.7	Very high	21 Å²	21	42.3 Å²	42.3	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128	179.6	-69.4	-95.7	0	0	0	110.9	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.52Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.45Å; W243-Y281 HydrophobicContact CB-CD1 4.26Å; W243-Y281 HydrophobicContact CB-CE1 4.02Å; W243-Y281 AromaticContact CD1-CE2 3.57Å; W243-Y281 AromaticContact CD1-CZ 3.56Å; W243-Y281 HydrophobicContact CG-CE1 4.31Å; Q248-Y281 HydrophobicContact CG-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.09Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.77Å; V273-Y281 HydrophobicContact CG1-CD2 3.54Å; V273-Y281 HydrophobicContact CG1-CE1 3.71Å; V273-Y281 HydrophobicContact CG1-CE2 3.5Å; V273-Y281 HydrophobicContact CG1-CG 3.67Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.47Å; E278-Y281 PolarHBondContact O-N 2.99Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å
282	T	97.5	Very high	94.4	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.5	174.8	47.8	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.35Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.3Å; Q242-T282 PolarHBondContact O-N 3.2Å; T282-H284 PolarHBondContact OG1-NE2 2.99Å; T282-T295 HydrophobicContact CG2-CG2 3.97Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.28Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	97.8	Very high	94.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.9	170.2	174.3	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.35Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.85Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 2.96Å; C283-L296 PolarHBondContact O-N 3.01Å
284	H	97.4	Very high	94.4	Very high	34 Å²	34	51.6 Å²	51.6	16%	0.157	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.1	176.6	-65.2	-100.4	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.45Å; T240-H284 PolarHBondContact N-O 3.3Å; T240-H284 PolarHBondContact O-N 3.38Å; Q242-H284 PolarHBondContact OE1-NE2 2.67Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.1Å; T282-H284 PolarHBondContact OG1-NE2 2.99Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 PolarHBondContact CE1-OG1 3.3Å; H284-T295 PolarHBondContact ND1-OG1 2.9Å
285	V	97.7	Very high	94.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.2	-178.5	-174.4	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.32Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.25Å; V285-P293 WeakPolarHBondContact O-CA 3.32Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.41Å; V285-L294 PolarHBondContact O-N 3.01Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
286	Q	96.6	Very high	94.7	Very high	68 Å²	68	52 Å²	52	32%	0.318	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.1	174.3	-57	179.4	13.4	0	0	109.4	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.27Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; T238-Q286 PolarHBondContact N-O 3.02Å; T238-Q286 PolarHBondContact O-N 3.34Å; Q286-P293 HydrophobicContact CG-CB 3.98Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
287	H	95.3	Very high	94.9	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.046	28%	0.28	C	S	.	.			trans	-157.7	143.8	-177.8	-177.5	-97.9	0	0	0	108.4	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.16Å; P209-H287 HydrophobicContact CG-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.66Å; Y233-H287 PolarHBondContact O-CE1 3.45Å; P234-H287 PolarHBondContact O-NE2 3.35Å; E236-H287 PolarHBondContact O-CD2 3.39Å; E236-H287 VanDerWaalsContact O-CD2 3.31Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å; H287-G289 PolarHBondContact ND1-N 2.77Å; H287-G289 PolarHBondContact O-N 3.41Å; H287-G289 VanDerWaalsContact O-N 3.12Å; H287-L290 HydrophobicContact CB-CD1 4.01Å; H287-L290 HydrophobicContact CB-CG 4.23Å; H287-L290 WeakPolarHBondContact O-CB 3.38Å; H287-L290 PolarHBondContact O-N 3.18Å
288	E	91.4	Very high	95	Very high	72 Å²	72	55 Å²	55	34%	0.336	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.5	-176.3	99.2	173.1	175.7	0	0	112.5	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CB 4.35Å; W23-E288 HydrophobicContact CE3-CB 4.18Å; A206-E288 HydrophobicContact CB-CG 3.78Å; P234-E288 WeakPolarHBondContact CD-OE1 3.07Å; P234-E288 HydrophobicContact CG-CG 4.29Å; E288-L290 PolarHBondContact O-N 2.59Å
289	G	90.6	Very high	94.7	Very high	12 Å²	12	61.9 Å²	61.9	12%	0.124	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.8	177.4	0	0	0	0	0	110.5	H208 H287	H208-G289 PolarHBondContact CE1-O 3.47Å; H208-G289 PolarHBondContact ND1-O 3.19Å; H287-G289 PolarHBondContact ND1-N 2.77Å; H287-G289 PolarHBondContact O-N 3.41Å; H287-G289 VanDerWaalsContact O-N 3.12Å
290	L	93.3	Very high	94.1	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.126	31%	0.312	C	S	.	.			trans	-71.8	127.7	-174	-65.4	168.2	0	0	0	111.6	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.12Å; H208-L290 PolarHBondContact ND1-N 2.87Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CG 4.23Å; V285-L290 HydrophobicContact CG1-CD1 4.25Å; H287-L290 HydrophobicContact CB-CD1 4.01Å; H287-L290 HydrophobicContact CB-CG 4.23Å; H287-L290 WeakPolarHBondContact O-CB 3.38Å; H287-L290 PolarHBondContact O-N 3.18Å; E288-L290 PolarHBondContact O-N 2.59Å; L290-E292 WeakPolarHBondContact CB-O 3.3Å; L290-E292 PolarHBondContact O-N 3.5Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CG 3.82Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CD2 4.41Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; L290-L294 HydrophobicContact CG-CD1 4.46Å; L290-L294 HydrophobicContact CG-CG 4.45Å
291	P	90.8	Very high	92.6	Very high	121 Å²	121	62.5 Å²	62.5	79%	0.786	33%	0.331	S	S	*	.	S	Bend	trans	-66	-31.1	176.5	27.6	-34.5	0	0	0	112
292	E	92.1	Very high	90.4	Very high	149 Å²	149	67 Å²	67	70%	0.696	37%	0.366	S	S	*	.	S	Bend	trans	-138.5	148.4	174	-66.4	-176.7	178.7	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.3Å; L290-E292 PolarHBondContact O-N 3.5Å; E292-L294 PolarHBondContact O-N 3.42Å
293	P	94.8	Very high	88	Confident	75 Å²	75	73.9 Å²	73.9	49%	0.487	40%	0.397	S	S	.	.			trans	-54.1	136.7	174	-27.1	36	0	0	0	112.5	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.32Å; Q286-P293 HydrophobicContact CG-CB 3.98Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
294	L	96.1	Very high	85.5	Confident	59 Å²	59	78.9 Å²	78.9	31%	0.309	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.4	174.9	-63.8	177.5	0	0	0	110.3	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.42Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.41Å; V285-L294 PolarHBondContact O-N 3.01Å; L290-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CG 3.82Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CD2 4.41Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; L290-L294 HydrophobicContact CG-CD1 4.46Å; L290-L294 HydrophobicContact CG-CG 4.45Å; E292-L294 PolarHBondContact O-N 3.42Å
295	T	97.1	Very high	83.4	Confident	83 Å²	83	83.6 Å²	83.6	51%	0.509	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.9	170.4	-56.1	0	0	0	0	108.6	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.97Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; H284-T295 PolarHBondContact CE1-OG1 3.3Å; H284-T295 PolarHBondContact ND1-OG1 2.9Å
296	L	96.4	Very high	81.4	Confident	36 Å²	36	88.5 Å²	88.5	19%	0.188	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.6	-174	-61	155.2	0	0	0	109.8	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.42Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.21Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.28Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 2.96Å; C283-L296 PolarHBondContact O-N 3.01Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
297	R	95.4	Very high	79.5	Confident	145 Å²	145	89.3 Å²	89.3	55%	0.547	50%	0.497	S	S	.	.			trans	-118.1	161.1	167.6	-70.9	-176.1	177.3	171.3	-2	109.2	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 2.79Å
298	W	95.1	Very high	77.9	Confident	45 Å²	45	94.8 Å²	94.8	17%	0.17	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-69	121.8	167.6	170.5	56.6	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.15Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.96Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.95Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.78Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3.03Å; W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.28Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.11Å
299	E	88.7	Confident	76.4	Confident	166 Å²	166	97.1 Å²	97.1	78%	0.776	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-99.9	118.4	169.5	-72.1	-177.4	177	0	0	109.1	R297 S301	R297-E299 PolarHBondContact O-N 2.79Å; E299-S301 PolarHBondContact O-N 3.2Å
300	P	80.8	Confident	75.2	Confident	78 Å²	78	98.7 Å²	98.7	51%	0.506	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-57.8	128.1	171.4	-19.9	30.6	0	0	0	108.8	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.28Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.11Å; P300-S302 PolarHBondContact O-N 3.23Å
301	S	64.1	Low	74.3	Confident	103 Å²	103	102 Å²	102	72%	0.72	58%	0.578	S	S	*	*			trans	-57.2	112.2	-177.3	73.9	0	0	0	0	109.7	E299 Q303	E299-S301 PolarHBondContact O-N 3.2Å; S301-Q303 PolarHBondContact O-N 3.23Å
302	S	50.3	Low	73.5	Confident	115 Å²	115	100.6 Å²	100.6	80%	0.804	57%	0.566	S	S	*	*			trans	-77.5	68.8	164.9	46.6	0	0	0	0	107.5	P300 P304	P300-S302 PolarHBondContact O-N 3.23Å; S302-P304 WeakPolarHBondContact O-CD 3.28Å; S302-P304 VanDerWaalsContact O-N 3.1Å
303	Q	46.7	Very low	72.6	Confident	157 Å²	157	96 Å²	96	73%	0.734	55%	0.554	S	S	*	*			trans	-61.8	113.9	156	-80.7	-168.1	-16.4	0	0	105.2	S301 T305	S301-Q303 PolarHBondContact O-N 3.23Å; Q303-T305 PolarHBondContact O-N 3.13Å
304	P	45.5	Very low	71.9	Confident	105 Å²	105	94.1 Å²	94.1	68%	0.682	55%	0.548	S	S	*	.			trans	-58.3	115.2	166.9	24.3	-29.3	0	0	0	104.4	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.28Å; S302-P304 VanDerWaalsContact O-N 3.1Å; P304-I306 PolarHBondContact O-N 2.62Å
305	T	52.6	Low	71.4	Confident	133 Å²	133	96.6 Å²	96.6	82%	0.816	56%	0.561	S	S	*	*			trans	-65.4	82.7	161.6	-40.6	0	0	0	0	104.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.13Å; T305-P307 WeakPolarHBondContact O-CD 3.46Å
306	I	55.6	Low	70.7	Confident	103 Å²	103	95.2 Å²	95.2	53%	0.528	56%	0.558	S	S	.	*			trans	-49.5	119.7	165	-64	175.4	0	0	0	102.7	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.62Å; I306-I308 PolarHBondContact O-N 2.93Å; I306-I311 HydrophobicContact CG2-CD1 3.92Å
307	P	57.9	Low	70.1	Confident	85 Å²	85	97.8 Å²	97.8	55%	0.552	58%	0.575	S	S	*	*			trans	-72.5	82.9	-175.3	28.9	-32.4	0	0	0	106.5	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.46Å; P307-V309 PolarHBondContact O-N 3.12Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 3.44Å; P307-I311 PolarHBondContact O-N 3.47Å
308	I	60.6	Low	69.6	Low	124 Å²	124	96.3 Å²	96.3	64%	0.636	58%	0.577	S	S	*	*	H	α-helix	trans	-54.3	-33.9	176.1	-67	168.5	0	0	0	108.2	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.93Å; I308-G310 PolarHBondContact O-N 3.05Å; I308-I311 PolarHBondContact O-N 3.08Å; I308-V312 HydrophobicContact CG2-CG2 4.29Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 WeakPolarHBondContact O-CG2 3.37Å; I308-V312 PolarHBondContact O-N 2.81Å
309	V	60.1	Low	69	Low	122 Å²	122	96.9 Å²	96.9	74%	0.739	59%	0.592	S	S	*	*	H	α-helix	trans	-60.5	-40.9	172.2	-179.8	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 3.12Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.12Å
310	G	65.4	Low	68.8	Low	44 Å²	44	93.2 Å²	93.2	45%	0.454	58%	0.58	S	S	.	*	H	α-helix	trans	-69	-37.9	179.1	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 3.44Å; I308-G310 PolarHBondContact O-N 3.05Å; G310-G314 PolarHBondContact O-N 3.07Å
311	I	73.2	Confident	69	Low	95 Å²	95	94.4 Å²	94.4	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-70	-43.9	176.3	-61.6	174.2	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.92Å; P307-I311 PolarHBondContact O-N 3.47Å; I308-I311 PolarHBondContact O-N 3.08Å; I311-G314 PolarHBondContact O-N 3.37Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.44Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 3.45Å
312	V	74.1	Confident	69.8	Low	90 Å²	90	92.6 Å²	92.6	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-65.2	-42.5	177.9	173.1	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.29Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 WeakPolarHBondContact O-CG2 3.37Å; I308-V312 PolarHBondContact O-N 2.81Å; V312-L315 PolarHBondContact O-N 2.85Å; V312-A316 WeakPolarHBondContact O-CB 3.29Å; V312-A316 PolarHBondContact O-N 3.33Å
313	A	73.7	Confident	71.4	Confident	53 Å²	53	91.6 Å²	91.6	44%	0.438	56%	0.562	S	S	.	*	H	α-helix	trans	-63.4	-43.1	174.8	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.12Å; A313-A316 PolarHBondContact O-N 3.07Å; A313-V317 WeakPolarHBondContact O-CG2 3.5Å; A313-V317 PolarHBondContact O-N 3.19Å
314	G	80.8	Confident	73	Confident	35 Å²	35	88.8 Å²	88.8	36%	0.361	55%	0.552	S	S	.	*	H	α-helix	trans	-61.7	-43.7	176.7	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.07Å; I311-G314 PolarHBondContact O-N 3.37Å; G314-V317 PolarHBondContact O-N 3.21Å; G314-L318 PolarHBondContact O-N 3.24Å
315	L	84.4	Confident	74.6	Confident	111 Å²	111	85.9 Å²	85.9	58%	0.581	54%	0.54	S	S	*	.	H	α-helix	trans	-66.8	-38.4	176.5	-72.3	172.2	0	0	0	112.3	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.44Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 3.45Å; V312-L315 PolarHBondContact O-N 2.85Å; L315-L318 PolarHBondContact O-N 2.98Å; L315-A319 WeakPolarHBondContact O-CB 3.5Å; L315-A319 PolarHBondContact O-N 3.47Å
316	A	82.5	Confident	75.8	Confident	55 Å²	55	82.1 Å²	82.1	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-43.2	175.8	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.29Å; V312-A316 PolarHBondContact O-N 3.33Å; A313-A316 PolarHBondContact O-N 3.07Å; A316-A319 PolarHBondContact O-N 3.11Å; A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 3.06Å
317	V	85	Confident	76.9	Confident	89 Å²	89	81.1 Å²	81.1	54%	0.539	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-43.9	176.5	172.9	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.5Å; A313-V317 PolarHBondContact O-N 3.19Å; G314-V317 PolarHBondContact O-N 3.21Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.92Å; V317-V320 PolarHBondContact O-N 3.35Å; V317-L321 HydrophobicContact CG1-CD1 4.02Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.26Å; V317-L321 PolarHBondContact O-N 3.39Å
318	L	83.6	Confident	77.8	Confident	115 Å²	115	81.1 Å²	81.1	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-41.1	176.6	-82.7	165.4	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.24Å; L315-L318 PolarHBondContact O-N 2.98Å; L318-L321 PolarHBondContact O-N 3.2Å; L318-A322 WeakPolarHBondContact O-CB 3.32Å; L318-A322 PolarHBondContact O-N 2.98Å
319	A	83.6	Confident	78.3	Confident	57 Å²	57	77.8 Å²	77.8	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-43.5	176.2	0	0	0	0	0	111.8	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.5Å; L315-A319 PolarHBondContact O-N 3.47Å; A316-A319 PolarHBondContact O-N 3.11Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.92Å; A319-A322 PolarHBondContact O-N 2.87Å; A319-V323 WeakPolarHBondContact O-CG2 3.4Å; A319-V323 PolarHBondContact O-N 3.13Å
320	V	84.3	Confident	78.9	Confident	88 Å²	88	75.8 Å²	75.8	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-43.9	176.5	172	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 3.06Å; V317-V320 PolarHBondContact O-N 3.35Å; V320-A322 PolarHBondContact O-N 2.9Å; V320-V323 PolarHBondContact O-N 3.44Å; V320-L324 HydrophobicContact CG1-CD1 4.01Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 2.81Å
321	L	84.4	Confident	79.2	Confident	103 Å²	103	77.6 Å²	77.6	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-38.7	177.4	-71.1	173.7	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.02Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.26Å; V317-L321 PolarHBondContact O-N 3.39Å; L318-L321 PolarHBondContact O-N 3.2Å; L321-L324 PolarHBondContact O-N 3.33Å; L321-G325 PolarHBondContact O-N 3.33Å
322	A	82.4	Confident	79.1	Confident	65 Å²	65	79.4 Å²	79.4	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-42	175.9	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.32Å; L318-A322 PolarHBondContact O-N 2.98Å; A319-A322 PolarHBondContact O-N 2.87Å; V320-A322 PolarHBondContact O-N 2.9Å; A322-G325 PolarHBondContact O-N 2.75Å; A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 2.8Å
323	V	82.1	Confident	78.5	Confident	95 Å²	95	79.4 Å²	79.4	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-64.3	-45	175.8	173.5	0	0	0	0	110.8	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.4Å; A319-V323 PolarHBondContact O-N 3.13Å; V320-V323 PolarHBondContact O-N 3.44Å; V323-G325 PolarHBondContact O-N 2.99Å; V323-A326 PolarHBondContact O-N 3.34Å; V323-V327 HydrophobicContact CG1-CG2 4.49Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 3.18Å
324	L	80.9	Confident	77.8	Confident	98 Å²	98	85.8 Å²	85.8	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-43.4	176	-73.5	168.7	0	0	0	111.8	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 4.01Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 2.81Å; L321-L324 PolarHBondContact O-N 3.33Å; L324-A326 PolarHBondContact O-N 3.18Å; L324-V327 PolarHBondContact O-N 2.99Å; L324-V328 WeakPolarHBondContact O-CG2 3.36Å; L324-V328 PolarHBondContact O-N 3.14Å
325	G	79.8	Confident	76.6	Confident	43 Å²	43	94.2 Å²	94.2	44%	0.443	55%	0.545	S	S	.	.	H	α-helix	trans	-59.8	-43.2	175.1	0	0	0	0	0	112.7	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.33Å; A322-G325 PolarHBondContact O-N 2.75Å; V323-G325 PolarHBondContact O-N 2.99Å; G325-V328 PolarHBondContact O-N 2.93Å; G325-A329 WeakPolarHBondContact O-CB 3.43Å; G325-A329 PolarHBondContact O-N 3.36Å
326	A	77.9	Confident	75	Confident	55 Å²	55	97.8 Å²	97.8	46%	0.455	56%	0.556	S	S	.	*	H	α-helix	trans	-64.7	-41.6	175.9	0	0	0	0	0	112.3	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 2.8Å; V323-A326 PolarHBondContact O-N 3.34Å; L324-A326 PolarHBondContact O-N 3.18Å; A326-A329 PolarHBondContact O-N 3.42Å; A326-V330 WeakPolarHBondContact O-CB 3.4Å; A326-V330 VanDerWaalsContact O-CG2 3.29Å; A326-V330 WeakPolarHBondContact O-CG2 3.21Å; A326-V330 PolarHBondContact O-N 3.3Å
327	V	78.4	Confident	73.5	Confident	81 Å²	81	99.7 Å²	99.7	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-62.9	-44.6	176.3	171.8	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.49Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 3.18Å; L324-V327 PolarHBondContact O-N 2.99Å; V327-A329 PolarHBondContact O-N 2.91Å; V327-V330 PolarHBondContact O-N 3.4Å; V327-V331 HydrophobicContact CG1-CG2 4.41Å; V327-V331 WeakPolarHBondContact O-CB 3.4Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.19Å; V327-V331 PolarHBondContact O-N 2.89Å
328	V	76.1	Confident	71.8	Confident	85 Å²	85	100.3 Å²	100.3	52%	0.515	58%	0.575	S	S	.	*	H	α-helix	trans	-62	-44.3	176.2	172.8	0	0	0	0	111	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.36Å; L324-V328 PolarHBondContact O-N 3.14Å; G325-V328 PolarHBondContact O-N 2.93Å; V328-V330 PolarHBondContact O-N 2.74Å; V328-V331 PolarHBondContact O-N 3.22Å; V328-M332 HydrophobicContact CG1-CG 4.41Å; V328-M332 HydrophobicContact CG1-SD 4.21Å; V328-M332 WeakPolarHBondContact O-CB 3.38Å; V328-M332 WeakPolarHBondContact O-CG 3.31Å; V328-M332 PolarHBondContact O-N 3.3Å
329	A	72.3	Confident	69.8	Low	54 Å²	54	98 Å²	98	45%	0.446	58%	0.578	S	S	.	*	H	α-helix	trans	-61.1	-43.7	176.9	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.43Å; G325-A329 PolarHBondContact O-N 3.36Å; A326-A329 PolarHBondContact O-N 3.42Å; V327-A329 PolarHBondContact O-N 2.91Å; A329-M332 PolarHBondContact O-N 2.7Å; A329-C333 WeakPolarHBondContact O-CB 3.17Å; A329-C333 PolarHBondContact O-N 3.02Å
330	V	72.8	Confident	67.5	Low	80 Å²	80	98.9 Å²	98.9	49%	0.485	59%	0.593	S	S	.	*	H	α-helix	trans	-64.8	-41.5	176.3	170	0	0	0	0	111.5	A326 V327 V328 C333 R334	A326-V330 WeakPolarHBondContact O-CB 3.4Å; A326-V330 VanDerWaalsContact O-CG2 3.29Å; A326-V330 WeakPolarHBondContact O-CG2 3.21Å; A326-V330 PolarHBondContact O-N 3.3Å; V327-V330 PolarHBondContact O-N 3.4Å; V328-V330 PolarHBondContact O-N 2.74Å; V330-C333 PolarHBondContact O-N 3.1Å; V330-R334 WeakPolarHBondContact O-CB 3.43Å; V330-R334 WeakPolarHBondContact O-CG 3.23Å; V330-R334 PolarHBondContact O-N 3.3Å
331	V	71.6	Confident	65.1	Low	83 Å²	83	105.2 Å²	105.2	50%	0.503	61%	0.613	S	S	.	*	H	α-helix	trans	-65.8	-40.8	177	170.9	0	0	0	0	111	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.41Å; V327-V331 WeakPolarHBondContact O-CB 3.4Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.19Å; V327-V331 PolarHBondContact O-N 2.89Å; V328-V331 PolarHBondContact O-N 3.22Å; V331-R334 PolarHBondContact O-N 3.22Å; V331-R335 WeakPolarHBondContact O-CB 3.27Å; V331-R335 PolarHBondContact O-N 2.97Å
332	M	70.3	Confident	62.7	Low	132 Å²	132	104.1 Å²	104.1	65%	0.65	63%	0.626	S	S	*	*	H	α-helix	trans	-66.8	-40.7	175.2	-72.8	-171.8	73.1	0	0	112.4	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.41Å; V328-M332 HydrophobicContact CG1-SD 4.21Å; V328-M332 WeakPolarHBondContact O-CB 3.38Å; V328-M332 WeakPolarHBondContact O-CG 3.31Å; V328-M332 PolarHBondContact O-N 3.3Å; A329-M332 PolarHBondContact O-N 2.7Å; M332-R334 VanDerWaalsContact C-N 3.35Å; M332-R335 PolarHBondContact O-N 3.22Å; M332-K336 WeakPolarHBondContact O-CB 3.36Å; M332-K336 PolarHBondContact O-N 3.08Å
333	C	61.7	Low	60.2	Low	90 Å²	90	105.2 Å²	105.2	61%	0.608	64%	0.644	S	S	*	*	H	α-helix	trans	-62.6	-40.3	172.7	-83	0	0	0	0	111.9	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.17Å; A329-C333 PolarHBondContact O-N 3.02Å; V330-C333 PolarHBondContact O-N 3.1Å; C333-K336 PolarHBondContact O-N 2.87Å; C333-S337 PolarHBondContact O-N 3.18Å; C333-S337 VanDerWaalsContact O-N 3.1Å; C333-S337 PolarHBondContact O-OG 3.4Å
334	R	59.5	Low	57.9	Low	187 Å²	187	105.9 Å²	105.9	71%	0.706	65%	0.653	S	S	*	*	H	α-helix	trans	-68.9	-32.8	175.4	-79	-173.4	137.3	150.1	-1.5	113.4	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.43Å; V330-R334 WeakPolarHBondContact O-CG 3.23Å; V330-R334 PolarHBondContact O-N 3.3Å; V331-R334 PolarHBondContact O-N 3.22Å; M332-R334 VanDerWaalsContact C-N 3.35Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 PolarHBondContact O-OG 3.07Å
335	R	56.1	Low	55.6	Low	212 Å²	212	106.7 Å²	106.7	80%	0.8	67%	0.666	S	S	*	*	H	α-helix	trans	-70.5	-28.3	172	-120.4	179.1	176.2	174.7	-1.2	112.5	V331 M332	V331-R335 WeakPolarHBondContact O-CB 3.27Å; V331-R335 PolarHBondContact O-N 2.97Å; M332-R335 PolarHBondContact O-N 3.22Å
336	K	50.3	Low	53.3	Low	186 Å²	186	110.9 Å²	110.9	81%	0.809	69%	0.688	S	S	*	*	H	α-helix	trans	-85.2	-17.7	179.1	-161.9	167.2	-179.6	177	0	113.5	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.36Å; M332-K336 PolarHBondContact O-N 3.08Å; C333-K336 PolarHBondContact O-N 2.87Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	51.4	Low	51.2	Low	96 Å²	96	117.4 Å²	117.4	67%	0.671	71%	0.709	S	S	*	*	S	Bend	trans	-91.5	2.4	178.2	58.5	0	0	0	0	115.4	C333 R334	C333-S337 PolarHBondContact O-N 3.18Å; C333-S337 VanDerWaalsContact O-N 3.1Å; C333-S337 PolarHBondContact O-OG 3.4Å; R334-S337 PolarHBondContact O-OG 3.07Å
338	S	49.3	Very low	48.8	Very low	102 Å²	102	117.8 Å²	117.8	71%	0.713	72%	0.721	S	S	*	*	S	Bend	trans	-102.9	37.2	177.1	71.9	0	0	0	0	113.6
339	G	40.5	Very low	46.7	Very low	65 Å²	65	118.1 Å²	118.1	67%	0.67	73%	0.732	S	S	*	*	S	Bend	trans	-156.3	84.1	179.2	0	0	0	0	0	114
340	G	36.5	Very low	44.8	Very low	76 Å²	76	121.2 Å²	121.2	78%	0.784	75%	0.751	S	S	*	*			trans	68	98.8	139.3	0	0	0	0	0	121.6
341	K	33.8	Very low	42.9	Very low	222 Å²	222	122.9 Å²	122.9	97%	0.965	77%	0.766	S	S	*	*				56.8	118.4	114.8	-148.7	159.6	-175.6	172.7	0	120.6
342	G	32.7	Very low	41.1	Very low	79 Å²	79	126.4 Å²	126.4	81%	0.814	78%	0.782	S	S	*	*			trans	126.8	131.5	132.1	0	0	0	0	0	117.7
343	G	30.9	Very low	39.7	Very low	88 Å²	88	126.3 Å²	126.3	91%	0.907	80%	0.795	S	S	*	*			trans	118.8	115.6	146.8	0	0	0	0	0	116.8
344	S	33.7	Very low	38.5	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	80%	0.801	S	S	*	*			trans	-101.1	155.3	178.6	173.8	0	0	0	0	112.2
345	C	31.9	Very low	37.4	Very low	116 Å²	116	127.2 Å²	127.2	78%	0.784	81%	0.813	S	S	*	*			trans	53.2	125.3	154.9	-84.9	0	0	0	0	121.4
346	S	30.9	Very low	36.1	Very low	130 Å²	130	120.2 Å²	120.2	91%	0.909	81%	0.807	S	S	*	*				179.6	169	99.8	36.9	0	0	0	0	113
347	Q	34	Very low	35.5	Very low	192 Å²	192	116.9 Å²	116.9	90%	0.897	81%	0.807	S	S	*	*			trans	-98.7	155.2	-156.8	-175.2	178.5	11.6	0	0	112.3
348	A	28.8	Very low	34.8	Very low	90 Å²	90	119.9 Å²	119.9	74%	0.744	82%	0.816	S	S	*	*			trans	140.3	112.1	132.2	0	0	0	0	0	116.2
349	A	31.9	Very low	34	Very low	91 Å²	91	124.2 Å²	124.2	75%	0.752	83%	0.825	S	S	*	*				69.6	142	115.8	0	0	0	0	0	124.3
350	S	32	Very low	33.8	Very low	120 Å²	120	126.7 Å²	126.7	84%	0.839	83%	0.832	S	S	*	*			trans	84.1	136.2	158.7	79.3	0	0	0	0	116.3
351	S	32.5	Very low	33.8	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	84%	0.838	S	S	*	*			cis	-157	153.2	22	46.9	0	0	0	0	113.4
352	N	34.4	Very low	33.9	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	83%	0.831	S	S	*	*			trans	-56.6	152.1	171	-68.5	-32.1	0	0	0	115.2
353	S	40.9	Very low	33.9	Very low	131 Å²	131	129.6 Å²	129.6	92%	0.916	83%	0.833	S	S	*	*				-166.1	142	117.8	6.3	0	0	0	0	111.1
354	A	36.4	Very low	34	Very low	90 Å²	90	131.4 Å²	131.4	74%	0.744	83%	0.83	S	S	*	*			trans	-102	158.3	-169.2	0	0	0	0	0	112.5
355	Q	36.3	Very low	34	Very low	206 Å²	206	136 Å²	136	96%	0.963	84%	0.837	S	S	*	*				175.7	141	127.3	-105.9	169.8	-27.9	0	0	114.4
356	G	29.8	Very low	34.1	Very low	65 Å²	65	138.9 Å²	138.9	67%	0.67	87%	0.868	S	S	*	*			trans	110	76.4	156.1	0	0	0	0	0	115.2
357	S	37.7	Very low	34.3	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	87%	0.866	S	S	*	*				61.3	134.5	88.9	-43.2	0	0	0	0	113.9
358	D	35.9	Very low	34.3	Very low	160 Å²	160	136.5 Å²	136.5	86%	0.856	87%	0.865	S	S	*	*			cis	-166.8	135.7	-16.3	-117.3	-25.3	0	0	0	104.8
359	E	32.6	Very low	34.6	Very low	192 Å²	192	139.1 Å²	139.1	90%	0.897	87%	0.871	S	S	*	*			trans	-84.4	142.8	171.2	-101.3	-174	140.7	0	0	110.6
360	S	36.9	Very low	34.8	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	88%	0.878	S	S	*	*			trans	-74.1	121.2	178.4	53.5	0	0	0	0	113.3
361	L	34.9	Very low	34.9	Very low	174 Å²	174	143.3 Å²	143.3	91%	0.911	88%	0.881	S	S	*	*			trans	24.4	125.4	145.4	-75.8	162.9	0	0	0	121.7
362	I	37.2	Very low	35.1	Very low	162 Å²	162	145.2 Å²	145.2	83%	0.831	89%	0.886	S	S	*	*			trans	-63.5	145.2	166.3	-66.6	164.8	0	0	0	113.4
363	A	32.4	Very low	35.2	Very low	102 Å²	102	144.4 Å²	144.4	84%	0.843	89%	0.889	S	S	*	*			trans	-162.2	122.7	130.3	0	0	0	0	0	112.1
364	C	32.8	Very low	34.7	Very low	127 Å²	127	145.5 Å²	145.5	86%	0.858	89%	0.887	S	S	*	*			trans	-93	146.5	170.6	-95.4	0	0	0	0	111.8
365	K	33.3	Very low	34.6	Very low	206 Å²	206	150.1 Å²	150.1	90%	0.896	90%	0.899	S	S	*	*			trans	-3.6	135.7	157	-79.2	175.1	170.6	176.4	0	120.4
366	A	35	Very low	34.4	Very low	175 Å²	175	145 Å²	145	100%	1.446	89%	0.894	S	S	*	*				-134.8	0	114	0	0	0	0	0	108.5

Retrieved 366 of 366 residues in 87.4 ms (Link to these results)

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