A0A090KFS3_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KFS3, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 365 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	33.8	Very low	47.1	Very low	239 Å²	239	130.4 Å²	130.4	100%	1.177	72%	0.715	S	S	*	*				0	123.1	0	-75.7	170.5	-92.2	0	0	107.7
2	A	38.3	Very low	47.4	Very low	104 Å²	104	130.1 Å²	130.1	86%	0.86	71%	0.711	S	S	*	*			trans	-91.1	118.8	170.7	0	0	0	0	0	108.2	M4	A2-M4 PolarHBondContact O-N 2.65Å; A2-M4 VanDerWaalsContact O-N 3.16Å
3	V	41.6	Very low	47.1	Very low	144 Å²	144	127.5 Å²	127.5	87%	0.873	70%	0.695	S	S	*	*			trans	-79.1	99.9	177.1	-179.6	0	0	0	0	107.9	A5	V3-A5 PolarHBondContact O-N 3.23Å; V3-A5 VanDerWaalsContact O-N 3.14Å
4	M	42.5	Very low	47	Very low	180 Å²	180	125.4 Å²	125.4	89%	0.887	68%	0.682	S	S	*	*			trans	-73.6	103.1	177.5	-173	170.7	66.8	0	0	109.2	A2	A2-M4 PolarHBondContact O-N 2.65Å; A2-M4 VanDerWaalsContact O-N 3.16Å
5	A	46.3	Very low	46.9	Very low	61 Å²	61	119.3 Å²	119.3	50%	0.504	66%	0.66	S	S	.	*			trans	-58.2	142.1	178	0	0	0	0	0	111.1	V3 R7	V3-A5 PolarHBondContact O-N 3.23Å; V3-A5 VanDerWaalsContact O-N 3.14Å; A5-R7 PolarHBondContact O-N 3.43Å
6	P	55.2	Low	46.8	Very low	76 Å²	76	115.1 Å²	115.1	49%	0.494	65%	0.646	S	S	.	*			trans	-59.5	133.4	179.3	-23	33.4	0	0	0	111.4	T8 L9 L10	P6-T8 PolarHBondContact O-N 3.07Å; P6-T8 VanDerWaalsContact O-N 3.17Å; P6-L9 HydrophobicContact CB-CB 4.21Å; P6-L9 HydrophobicContact CG-CB 4.49Å; P6-L9 WeakPolarHBondContact O-CB 3.41Å; P6-L9 PolarHBondContact O-N 3.16Å; P6-L10 PolarHBondContact O-N 2.88Å; P6-L10 VanDerWaalsContact O-N 3.15Å
7	R	52	Low	46.3	Very low	218 Å²	218	114.2 Å²	114.2	82%	0.823	64%	0.638	S	S	*	*	H	α-helix	trans	-56.4	-32.3	177.3	-80.9	179.3	165.6	151.1	-5	112.7	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.43Å; R7-L10 PolarHBondContact O-N 2.9Å; R7-L11 VanDerWaalsContact O-CG 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.36Å; R7-L11 PolarHBondContact O-N 2.94Å
8	T	54.6	Low	46	Very low	99 Å²	99	110.9 Å²	110.9	61%	0.607	63%	0.628	S	S	*	*	H	α-helix	trans	-63.6	-41.4	172.8	44.7	0	0	0	0	112.8	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.07Å; P6-T8 VanDerWaalsContact O-N 3.17Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L11 PolarHBondContact O-N 2.91Å; T8-L12 WeakPolarHBondContact O-CB 3.43Å; T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.12Å
9	L	49.6	Very low	45.6	Very low	95 Å²	95	110.1 Å²	110.1	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-65.6	-39.2	176.7	-159.4	80.7	0	0	0	111.1	P6 L12 L13	P6-L9 HydrophobicContact CB-CB 4.21Å; P6-L9 HydrophobicContact CG-CB 4.49Å; P6-L9 WeakPolarHBondContact O-CB 3.41Å; P6-L9 PolarHBondContact O-N 3.16Å; L9-L12 PolarHBondContact O-N 3.38Å; L9-L13 HydrophobicContact CG-CD1 4.43Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.3Å; L9-L13 PolarHBondContact O-N 2.87Å
10	L	48.2	Very low	45.2	Very low	101 Å²	101	109.4 Å²	109.4	53%	0.529	62%	0.62	S	S	.	*	H	α-helix	trans	-66.5	-39.1	176.2	-163.6	73.4	0	0	0	112	P6 R7 T8 L13 L14	P6-L10 PolarHBondContact O-N 2.88Å; P6-L10 VanDerWaalsContact O-N 3.15Å; R7-L10 PolarHBondContact O-N 2.9Å; T8-L10 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.26Å; L10-L14 HydrophobicContact CG-CD1 4.38Å; L10-L14 WeakPolarHBondContact O-CB 3.39Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.14Å; L10-L14 PolarHBondContact O-N 3.12Å
11	L	55.8	Low	44.8	Very low	117 Å²	117	111.8 Å²	111.8	61%	0.613	63%	0.626	S	S	*	*	H	α-helix	trans	-68.5	-39.5	175.7	-73.1	165.8	0	0	0	112.3	R7 T8 L14 G15	R7-L11 VanDerWaalsContact O-CG 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.36Å; R7-L11 PolarHBondContact O-N 2.94Å; T8-L11 PolarHBondContact O-N 2.91Å; L11-L14 PolarHBondContact O-N 3.25Å; L11-G15 PolarHBondContact O-N 3.01Å
12	L	50.7	Low	45.3	Very low	127 Å²	127	105 Å²	105	67%	0.665	60%	0.598	S	S	*	*	H	α-helix	trans	-64.3	-41.5	173.2	-75.1	165.8	0	0	0	111.8	T8 L9 G15 A16	T8-L12 WeakPolarHBondContact O-CB 3.43Å; T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 3.38Å; L12-G15 PolarHBondContact O-N 3.41Å; L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 3.06Å
13	L	43.7	Very low	45.8	Very low	96 Å²	96	102.3 Å²	102.3	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-65.3	-38.6	174.1	-75.8	165.6	0	0	0	112.3	L9 L10 L17	L9-L13 HydrophobicContact CG-CD1 4.43Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.3Å; L9-L13 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 3.26Å; L13-L17 VanDerWaalsContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 2.97Å
14	L	45.3	Very low	46.4	Very low	99 Å²	99	98.7 Å²	98.7	52%	0.518	55%	0.551	S	S	.	*	H	α-helix	trans	-68.1	-40	174.7	-76.5	165.6	0	0	0	112.3	L10 L11 L17 A18	L10-L14 HydrophobicContact CG-CD1 4.38Å; L10-L14 WeakPolarHBondContact O-CB 3.39Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.14Å; L10-L14 PolarHBondContact O-N 3.12Å; L11-L14 PolarHBondContact O-N 3.25Å; L14-L17 PolarHBondContact O-N 2.82Å; L14-A18 WeakPolarHBondContact O-CB 3.38Å; L14-A18 PolarHBondContact O-N 3.21Å
15	G	45.9	Very low	47.9	Very low	34 Å²	34	91 Å²	91	35%	0.351	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-45.8	173.9	0	0	0	0	0	112.2	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.01Å; L12-G15 PolarHBondContact O-N 3.41Å; G15-A18 PolarHBondContact O-N 2.87Å; G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 PolarHBondContact O-N 3.02Å
16	A	44.9	Very low	50	Low	52 Å²	52	91.5 Å²	91.5	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-43.3	174.2	0	0	0	0	0	112.1	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 3.06Å; A16-L19 PolarHBondContact O-N 3.09Å; A16-T20 WeakPolarHBondContact O-CG2 3.31Å; A16-T20 PolarHBondContact O-N 2.92Å; A16-T20 PolarHBondContact O-OG1 3.18Å
17	L	39.2	Very low	52	Low	99 Å²	99	89.4 Å²	89.4	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-44.2	177.4	-80.5	165.4	0	0	0	112.1	L13 L14 T20 Q21	L13-L17 VanDerWaalsContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 2.82Å; L17-T20 WeakPolarHBondContact CA-OG1 3.38Å; L17-T20 PolarHBondContact O-N 3.14Å; L17-T20 PolarHBondContact O-OG1 2.78Å; L17-Q21 WeakPolarHBondContact O-CG 3.11Å; L17-Q21 PolarHBondContact O-N 3Å
18	A	39.8	Very low	54.1	Low	56 Å²	56	80 Å²	80	46%	0.463	47%	0.469	S	S	.	.	H	α-helix	trans	-60.3	-45.5	175.3	0	0	0	0	0	111.5	L14 G15 T20 Q21	L14-A18 WeakPolarHBondContact O-CB 3.38Å; L14-A18 PolarHBondContact O-N 3.21Å; G15-A18 PolarHBondContact O-N 2.87Å; A18-T20 VanDerWaalsContact C-N 3.35Å; A18-T20 PolarHBondContact O-N 3.34Å; A18-Q21 PolarHBondContact O-N 2.93Å
19	L	38.7	Very low	56.2	Low	95 Å²	95	75.5 Å²	75.5	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-33.7	174.4	-85.9	158	0	0	0	112.9	G15 A16 Q21 T22	G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 PolarHBondContact O-N 3.02Å; A16-L19 PolarHBondContact O-N 3.09Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 3.17Å; L19-T22 PolarHBondContact O-OG1 3.41Å
20	T	37.8	Very low	58.6	Low	95 Å²	95	73.4 Å²	73.4	58%	0.583	43%	0.426	S	S	*	.	H	α-helix	trans	-74.8	-19	174.2	54	0	0	0	0	114.1	A16 L17 A18	A16-T20 WeakPolarHBondContact O-CG2 3.31Å; A16-T20 PolarHBondContact O-N 2.92Å; A16-T20 PolarHBondContact O-OG1 3.18Å; L17-T20 WeakPolarHBondContact CA-OG1 3.38Å; L17-T20 PolarHBondContact O-N 3.14Å; L17-T20 PolarHBondContact O-OG1 2.78Å; A18-T20 VanDerWaalsContact C-N 3.35Å; A18-T20 PolarHBondContact O-N 3.34Å
21	Q	37.3	Very low	61	Low	160 Å²	160	69.2 Å²	69.2	75%	0.748	40%	0.403	S	S	*	.	H	α-helix	trans	-84	-20.4	-178.4	-81.5	-171.4	-34.2	0	0	114.1	L17 A18 L19	L17-Q21 WeakPolarHBondContact O-CG 3.11Å; L17-Q21 PolarHBondContact O-N 3Å; A18-Q21 PolarHBondContact O-N 2.93Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 3.17Å
22	T	44.9	Very low	63	Low	97 Å²	97	67.8 Å²	67.8	60%	0.595	39%	0.392	S	S	*	.	S	Bend	trans	-84.9	-6.5	-175.8	56.3	0	0	0	0	114.9	L19	L19-T22 PolarHBondContact O-OG1 3.41Å
23	W	47.6	Very low	65.3	Low	47 Å²	47	62 Å²	62	18%	0.178	36%	0.363	C	S	.	.	S	Bend	trans	-104.2	-6	-168.9	-75.1	77.1	0	0	0	115.7	E236 E288	W23-E236 HydrophobicContact CH2-CB 4.39Å; W23-E236 HydrophobicContact CH2-CG 3.72Å; W23-E236 HydrophobicContact CZ2-CG 4.18Å; W23-E236 HydrophobicContact CZ3-CB 4.3Å; W23-E236 HydrophobicContact CZ3-CG 4Å; W23-E236 VanDerWaalsContact CZ3-O 3.28Å; W23-E236 WeakPolarHBondContact CZ3-O 3.32Å; W23-E288 HydrophobicContact CE3-CB 4.1Å; W23-E288 WeakPolarHBondContact O-CG 3.22Å
24	A	54	Low	67.9	Low	68 Å²	68	59.9 Å²	59.9	56%	0.562	35%	0.353	S	S	*	.	S	Bend	trans	-109.7	95.6	-169.6	0	0	0	0	0	113.2	S26	A24-S26 PolarHBondContact O-N 3.15Å
25	G	74.7	Confident	70.5	Confident	18 Å²	18	55.2 Å²	55.2	19%	0.186	33%	0.329	C	S	.	.	S	Bend	trans	71.2	27.5	159.8	0	0	0	0	0	118.4	S129 E288	G25-S129 WeakPolarHBondContact O-CA 3.42Å; G25-S129 VanDerWaalsContact O-CB 3.27Å; G25-S129 WeakPolarHBondContact O-CB 3.39Å; G25-S129 PolarHBondContact O-N 2.88Å; G25-E288 PolarHBondContact N-OE1 2.95Å
26	S	91.1	Very high	73	Confident	72 Å²	72	56 Å²	56	50%	0.503	33%	0.327	S	S	.	.			trans	-81.5	136.7	159.9	57.4	0	0	0	0	110.2	A24 V127	A24-S26 PolarHBondContact O-N 3.15Å; S26-V127 CarbonylContact C-O 3.59Å; S26-V127 WeakPolarHBondContact CA-O 3.34Å
27	H	95.6	Very high	75.5	Confident	33 Å²	33	54.4 Å²	54.4	15%	0.153	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158	-178.3	-68.3	-74.7	0	0	0	112	D53 D126 V127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.42Å; H27-D53 IonicContact CE1-OD2 2.72Å; H27-D53 IonicContact CG-OD2 2.75Å; H27-D53 IonicContact ND1-OD2 3.07Å; H27-D53 PolarHBondContact ND1-OD2 2.83Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; H27-V127 HydrophobicContact CB-CG2 4.01Å; H27-V127 PolarHBondContact N-O 3.24Å; H27-V127 PolarHBondContact O-N 2.85Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å
28	S	97.6	Very high	78.3	Confident	21 Å²	21	53 Å²	53	15%	0.147	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.6	-174.4	64.5	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.41Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.37Å; S28-D53 PolarHBondContact N-OD1 2.99Å; S28-D53 PolarHBondContact O-N 3.21Å; S28-D53 PolarHBondContact OG-OD1 2.84Å; S28-C125 WeakPolarHBondContact CA-O 3.4Å; S28-D126 VanDerWaalsContact CB-OD1 3.25Å; S28-D126 WeakPolarHBondContact CB-OD1 3.2Å
29	M	98.6	Very high	80.8	Confident	3 Å²	3	53 Å²	53	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.2	165.5	-179.7	172.1	58.4	0	0	108.8	Y31 Y51 V52 F57 G124 C125 C188 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.1Å; M29-Y31 HydrophobicContact CG-CD2 4.49Å; M29-Y31 HydrophobicContact CG-CE2 3.98Å; M29-Y31 HydrophobicContact SD-CE2 3.79Å; M29-Y51 WeakPolarHBondContact CA-O 3.31Å; M29-V52 HydrophobicContact CB-CG2 4.48Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; M29-F57 HydrophobicContact CG-CE1 4.32Å; M29-F57 HydrophobicContact CG-CZ 4.43Å; M29-F57 HydrophobicContact SD-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4Å; M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.21Å; M29-C125 PolarHBondContact N-O 3.19Å; M29-C125 PolarHBondContact O-N 3.06Å; M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.1Å; M29-C188 VanDerWaalsContact CE-SG 3.53Å; M29-L192 HydrophobicContact CB-CB 4.01Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.16Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.4Å; M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.6	Very high	83.4	Confident	52 Å²	52	52.8 Å²	52.8	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.5	-175	-52.9	-63.1	-174.1	72.1	0.8	110.2	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CE2 3.72Å; R30-F32 HydrophobicContact CB-CZ 4.08Å; R30-Y51 PolarHBondContact N-O 3.47Å; R30-Y51 PolarHBondContact O-N 2.94Å; R30-D126 IonicContact CZ-OD1 2.84Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 3.88Å; R30-D126 IonicContact NE-OD1 3.73Å; R30-D126 PolarHBondContact NE-OD1 3.02Å; R30-D126 IonicContact NH2-OD1 3.83Å; R30-D126 PolarHBondContact NH2-OD1 2.78Å; R30-D126 IonicContact NH2-OD2 2.7Å; R30-D126 PolarHBondContact NH2-OD2 3.4Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.33Å; R30-Y137 PolarHBondContact NH2-OH 3.46Å
31	Y	98.7	Very high	86.1	Confident	12 Å²	12	58.2 Å²	58.2	5%	0.047	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.2	170.8	-68.6	-87.8	0	0	0	109.5	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.1Å; M29-Y31 HydrophobicContact CG-CD2 4.49Å; M29-Y31 HydrophobicContact CG-CE2 3.98Å; M29-Y31 HydrophobicContact SD-CE2 3.79Å; Y31-V49 WeakPolarHBondContact CA-O 3.27Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.85Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; Y31-V58 HydrophobicContact CE1-CG2 4.09Å; Y31-M122 WeakPolarHBondContact O-CA 3.34Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.46Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.41Å; Y31-Y123 AromaticContact CD2-CE2 3.7Å; Y31-Y123 HydrophobicContact CD2-CE2 3.7Å; Y31-Y123 AromaticContact CD2-CZ 3.8Å; Y31-Y123 HydrophobicContact CE2-CE2 4.46Å; Y31-Y123 HydrophobicContact CG-CE1 4.24Å; Y31-Y123 HydrophobicContact CG-CE2 4.14Å; Y31-Y123 AromaticContact CG-CZ 3.75Å; Y31-Y123 PolarHBondContact N-O 2.92Å; Y31-Y123 PolarHBondContact O-N 2.93Å
32	F	98.8	Very high	88.7	Confident	87 Å²	87	53.5 Å²	53.5	38%	0.382	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.3	176.2	-54.9	-101.1	0	0	0	108.9	R30 A48 V49 Y51 M121 M122	R30-F32 HydrophobicContact CB-CE2 3.72Å; R30-F32 HydrophobicContact CB-CZ 4.08Å; F32-A48 CarbonylContact O-C 3.6Å; F32-A48 WeakPolarHBondContact O-CA 3.25Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 2.8Å; F32-V49 PolarHBondContact O-N 2.87Å; F32-Y51 HydrophobicContact CD2-CD2 4.26Å; F32-Y51 HydrophobicContact CE2-CD2 4.27Å; F32-M121 CarbonylContact C-O 3.6Å; F32-M121 WeakPolarHBondContact CA-O 3.45Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.55Å; F32-M122 HydrophobicContact CE1-CB 4.16Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CG-CG 4.28Å; F32-M122 HydrophobicContact CZ-CG 3.98Å
33	T	98.8	Very high	91.1	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.043	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.6	170.8	78.9	0	0	0	0	111.1	F46 I47 A48 Q120 M121	T33-F46 HydrophobicContact CG2-CZ 3.85Å; T33-I47 CarbonylContact C-O 3.55Å; T33-I47 VanDerWaalsContact CA-O 3.25Å; T33-I47 WeakPolarHBondContact CA-O 3.34Å; T33-A48 HydrophobicContact CG2-CB 3.67Å; T33-Q120 WeakPolarHBondContact O-CA 3.35Å; T33-M121 HydrophobicContact CG2-CE 3.59Å; T33-M121 PolarHBondContact N-O 3.32Å; T33-M121 PolarHBondContact O-N 2.75Å; T33-M121 WeakPolarHBondContact OG1-CB 3.44Å; T33-M121 VanDerWaalsContact OG1-CE 3.29Å; T33-M121 WeakPolarHBondContact OG1-CE 3.46Å
34	T	98.9	Very high	93.5	Very high	50 Å²	50	52.3 Å²	52.3	31%	0.307	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.2	-178.6	-56.5	0	0	0	0	109.3	V36 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.08Å; T34-I47 PolarHBondContact N-O 2.22Å; T34-I47 PolarHBondContact O-N 3.35Å; T34-T118 HydrophobicContact CG2-CG2 3.94Å; T34-I119 WeakPolarHBondContact CA-O 3.47Å; T34-Q120 HydrophobicContact CG2-CG 3.99Å
35	S	98.7	Very high	95.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	104.7	-171.2	-68.8	0	0	0	0	110.2	R45 F46 D98 T118 I119	S35-R45 WeakPolarHBondContact CA-O 3.29Å; S35-F46 WeakPolarHBondContact OG-CD2 3.42Å; S35-D98 WeakPolarHBondContact CB-OD2 3.13Å; S35-D98 VanDerWaalsContact OG-CB 3.3Å; S35-D98 WeakPolarHBondContact OG-CB 3.19Å; S35-D98 PolarHBondContact OG-OD2 2.93Å; S35-T118 WeakPolarHBondContact O-CA 3.48Å; S35-I119 PolarHBondContact N-O 2.72Å; S35-I119 PolarHBondContact O-N 2.87Å
36	V	98.6	Very high	96.7	Very high	51 Å²	51	52.7 Å²	52.7	31%	0.309	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.5	-173.4	-172.7	0	0	0	0	109.8	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 4.08Å; V36-P44 CarbonylContact O-C 3.47Å; V36-P44 WeakPolarHBondContact O-CA 3.03Å; V36-R45 PolarHBondContact N-O 2.84Å; V36-R45 PolarHBondContact O-N 3.06Å; V36-T118 HydrophobicContact CG2-CG2 4.08Å
37	S	98.1	Very high	97.1	Very high	18 Å²	18	51.6 Å²	51.6	13%	0.126	28%	0.282	C	S	.	.			trans	-69.3	144.2	172.6	72.5	0	0	0	0	110.8	S116 H117	S37-S116 PolarHBondContact O-OG 3.13Å; S37-H117 PolarHBondContact N-O 2.67Å; S37-H117 PolarHBondContact OG-N 3.44Å; S37-H117 PolarHBondContact OG-O 2.87Å
38	R	96.6	Very high	97.3	Very high	71 Å²	71	50.3 Å²	50.3	27%	0.268	28%	0.277	S	S	.	.			trans	-134.4	75.8	-179	54	175.6	169.4	-154.5	-17.9	111.7	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.8Å; R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 WeakPolarHBondContact CD-O 3.31Å; R38-R41 HydrophobicContact CG-CB 4.12Å; R38-R41 PolarHBondContact NE-O 3.13Å; R38-R41 WeakPolarHBondContact O-CA 3.34Å; R38-R41 PolarHBondContact O-N 3.18Å; R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 3.16Å; R38-E43 PolarHBondContact NH2-O 2.71Å; R38-D63 IonicContact CZ-OD1 2.72Å; R38-D63 IonicContact CZ-OD2 3.89Å; R38-D63 IonicContact NH1-OD1 2.83Å; R38-D63 PolarHBondContact NH1-OD1 3.28Å; R38-D63 IonicContact NH1-OD2 2.98Å; R38-D63 PolarHBondContact NH1-OD2 3.46Å; R38-D63 IonicContact NH2-OD1 2.76Å; R38-D63 PolarHBondContact NH2-OD1 2.84Å; R38-D63 IonicContact NH2-OD2 2.67Å
39	P	93.9	Very high	97.3	Very high	56 Å²	56	50.8 Å²	50.8	36%	0.364	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	132.6	-178.3	-28.4	35	0	0	0	112.9	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.25Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.49Å; P39-G115 WeakPolarHBondContact CG-O 3.39Å
40	G	92.7	Very high	97.3	Very high	90 Å²	90	50.6 Å²	50.6	93%	0.928	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	3.8	-176.9	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.8Å
41	R	94.2	Very high	97.3	Very high	208 Å²	208	51.5 Å²	51.5	79%	0.785	28%	0.282	S	S	*	.	S	Bend	trans	-125.5	24.9	-178.5	-57	-176	-179	-177.4	0.7	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 WeakPolarHBondContact CD-O 3.31Å; R38-R41 HydrophobicContact CG-CB 4.12Å; R38-R41 PolarHBondContact NE-O 3.13Å; R38-R41 WeakPolarHBondContact O-CA 3.34Å; R38-R41 PolarHBondContact O-N 3.18Å; P39-R41 PolarHBondContact O-N 3.25Å
42	G	92.6	Very high	97.3	Very high	61 Å²	61	50.9 Å²	50.9	63%	0.629	28%	0.279	S	S	*	.	S	Bend	trans	89.3	-163.2	179.7	0	0	0	0	0	114
43	E	94.9	Very high	97.1	Very high	93 Å²	93	48.4 Å²	48.4	44%	0.435	27%	0.27	S	S	.	.	S	Bend	trans	-65.6	151.4	-175.3	-60.5	-63.4	179.9	0	0	112.8	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 3.16Å; R38-E43 PolarHBondContact NH2-O 2.71Å; E43-R45 PolarHBondContact O-N 2.78Å; E43-R99 IonicContact OE1-CZ 2.71Å; E43-R99 IonicContact OE1-NH1 3.15Å; E43-R99 PolarHBondContact OE1-NH1 2.86Å; E43-R99 IonicContact OE1-NH2 3.13Å; E43-R99 PolarHBondContact OE1-NH2 2.95Å; E43-R99 IonicContact OE2-CZ 3.1Å; E43-R99 IonicContact OE2-NE 2.91Å; E43-R99 PolarHBondContact OE2-NE 3.3Å; E43-R99 IonicContact OE2-NH1 2.78Å; E43-R99 PolarHBondContact OE2-NH1 3.37Å; E43-R99 IonicContact OE2-NH2 3.32Å; E43-R99 PolarHBondContact OE2-NH2 2.98Å
44	P	97.4	Very high	97	Very high	26 Å²	26	51 Å²	51	17%	0.169	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-49.5	135.2	173.8	-26.4	34.8	0	0	0	112.3	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.47Å; V36-P44 WeakPolarHBondContact O-CA 3.03Å; P44-F46 PolarHBondContact O-N 3.02Å; P44-R99 HydrophobicContact CG-CG 4.34Å; P44-L102 HydrophobicContact CB-CD1 3.63Å; P44-L102 HydrophobicContact CG-CD1 3.75Å
45	R	98.4	Very high	96.8	Very high	92 Å²	92	49.7 Å²	49.7	35%	0.347	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.9	173.1	-175.7	179.1	-177.4	-177.7	-0.8	108.6	S35 V36 E43 I47 D61 S62 D63	S35-R45 WeakPolarHBondContact CA-O 3.29Å; V36-R45 PolarHBondContact N-O 2.84Å; V36-R45 PolarHBondContact O-N 3.06Å; E43-R45 PolarHBondContact O-N 2.78Å; R45-I47 HydrophobicContact CG-CG1 4.39Å; R45-D61 IonicContact CZ-OD1 3.56Å; R45-D61 IonicContact CZ-OD2 2.93Å; R45-D61 IonicContact NE-OD1 3.15Å; R45-D61 PolarHBondContact NE-OD1 2.97Å; R45-D61 IonicContact NE-OD2 3.54Å; R45-D61 VanDerWaalsContact NH2-CG 3.27Å; R45-D61 IonicContact NH2-OD1 3.71Å; R45-D61 PolarHBondContact NH2-OD1 2.99Å; R45-D61 IonicContact NH2-OD2 2.69Å; R45-D61 PolarHBondContact NH2-OD2 2.77Å; R45-S62 WeakPolarHBondContact CA-OG 3.4Å; R45-D63 VanDerWaalsContact CD-OD2 3.32Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 IonicContact NE-OD2 3.47Å
46	F	98.7	Very high	96.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.8	177.5	-179.7	-76.9	0	0	0	109.5	T33 S35 P44 A48 F60 S62 V91 Q94 S95 D98	T33-F46 HydrophobicContact CG2-CZ 3.85Å; S35-F46 WeakPolarHBondContact OG-CD2 3.42Å; P44-F46 PolarHBondContact O-N 3.02Å; F46-A48 HydrophobicContact CE1-CB 3.72Å; F46-A48 HydrophobicContact CZ-CB 4.26Å; F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.08Å; F46-S62 PolarHBondContact N-OG 2.79Å; F46-S62 PolarHBondContact O-N 3.44Å; F46-S62 PolarHBondContact O-OG 2.91Å; F46-V91 HydrophobicContact CD1-CG2 4.4Å; F46-V91 HydrophobicContact CE1-CG2 3.44Å; F46-V91 VanDerWaalsContact CE1-CG2 3.44Å; F46-V91 HydrophobicContact CZ-CG2 4.04Å; F46-Q94 HydrophobicContact CE2-CB 4.34Å; F46-Q94 HydrophobicContact CE2-CG 3.97Å; F46-Q94 HydrophobicContact CZ-CB 4.18Å; F46-Q94 HydrophobicContact CZ-CG 4.01Å; F46-S95 WeakPolarHBondContact CB-OG 3.36Å; F46-S95 VanDerWaalsContact CD2-CA 3.4Å; F46-D98 HydrophobicContact CD2-CB 4.26Å; F46-D98 HydrophobicContact CE2-CB 4.38Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.3Å
47	I	98.8	Very high	96.8	Very high	49 Å²	49	49.7 Å²	49.7	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.5	172.5	-57.5	177.5	0	0	0	107.9	T33 T34 R45 V49 F60	T33-I47 CarbonylContact C-O 3.55Å; T33-I47 VanDerWaalsContact CA-O 3.25Å; T33-I47 WeakPolarHBondContact CA-O 3.34Å; T34-I47 PolarHBondContact N-O 2.22Å; T34-I47 PolarHBondContact O-N 3.35Å; R45-I47 HydrophobicContact CG-CG1 4.39Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.45Å
48	A	98.8	Very high	96.8	Very high	6 Å²	6	48.9 Å²	48.9	5%	0.05	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.5	166.5	0	0	0	0	0	110.8	F32 T33 F46 R59 F60 V91	F32-A48 CarbonylContact O-C 3.6Å; F32-A48 WeakPolarHBondContact O-CA 3.25Å; T33-A48 HydrophobicContact CG2-CB 3.67Å; F46-A48 HydrophobicContact CE1-CB 3.72Å; F46-A48 HydrophobicContact CZ-CB 4.26Å; A48-R59 CarbonylContact O-C 3.58Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.47Å; A48-F60 HydrophobicContact CB-CB 4.32Å; A48-F60 PolarHBondContact N-O 2.85Å; A48-F60 PolarHBondContact O-N 3.46Å; A48-V91 HydrophobicContact CB-CG2 3.71Å
49	V	98.8	Very high	96.9	Very high	31 Å²	31	49.7 Å²	49.7	19%	0.188	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.8	173.7	-63	0	0	0	0	109.8	Y31 F32 I47 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.27Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 2.8Å; F32-V49 PolarHBondContact O-N 2.87Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; V49-Y51 HydrophobicContact CB-CD2 4.5Å; V49-Y51 HydrophobicContact CB-CE2 4.06Å; V49-Y51 HydrophobicContact CG2-CD2 4.26Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; V49-V58 WeakPolarHBondContact CA-O 3.35Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.22Å
50	G	98.6	Very high	97.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135	175.3	0	0	0	0	0	110.5	Q56 F57 V58	G50-Q56 WeakPolarHBondContact O-CG 3.35Å; G50-F57 WeakPolarHBondContact O-CD1 3.17Å; G50-F57 PolarHBondContact O-N 3.42Å; G50-V58 PolarHBondContact N-O 3.38Å; G50-V58 PolarHBondContact O-N 2.9Å
51	Y	98.6	Very high	97.4	Very high	70 Å²	70	43.7 Å²	43.7	28%	0.275	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.6	179.8	-78.3	-104.4	0	0	0	110.6	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.31Å; R30-Y51 PolarHBondContact N-O 3.47Å; R30-Y51 PolarHBondContact O-N 2.94Å; F32-Y51 HydrophobicContact CD2-CD2 4.26Å; F32-Y51 HydrophobicContact CE2-CD2 4.27Å; V49-Y51 HydrophobicContact CB-CD2 4.5Å; V49-Y51 HydrophobicContact CB-CE2 4.06Å; V49-Y51 HydrophobicContact CG2-CD2 4.26Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; Y51-T55 WeakPolarHBondContact CA-O 2.99Å; Y51-Q56 HydrophobicContact CD1-CB 4.09Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.66Å; Y51-Q56 HydrophobicContact CE1-CG 4.4Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å
52	V	98.3	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.7	156.8	175.5	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.41Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.37Å; M29-V52 HydrophobicContact CB-CG2 4.48Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; V52-D54 PolarHBondContact O-N 2.93Å; V52-T55 PolarHBondContact N-O 2.89Å; V52-T55 WeakPolarHBondContact O-CA 2.98Å; V52-T55 WeakPolarHBondContact O-CB 3.39Å; V52-T55 PolarHBondContact O-N 2.81Å; V52-F57 HydrophobicContact CG2-CD1 3.95Å; V52-F57 HydrophobicContact CG2-CE1 3.89Å; V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; V52-L203 HydrophobicContact CB-CD1 4.3Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å
53	D	95.8	Very high	97.8	Very high	34 Å²	34	35.1 Å²	35.1	18%	0.182	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-130.3	-165.9	-54.6	-46	0	0	0	111	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.42Å; H27-D53 IonicContact CE1-OD2 2.72Å; H27-D53 IonicContact CG-OD2 2.75Å; H27-D53 IonicContact ND1-OD2 3.07Å; H27-D53 PolarHBondContact ND1-OD2 2.83Å; S28-D53 PolarHBondContact N-OD1 2.99Å; S28-D53 PolarHBondContact O-N 3.21Å; S28-D53 PolarHBondContact OG-OD1 2.84Å; D53-T55 PolarHBondContact O-N 3.21Å
54	D	95	Very high	97.9	Very high	61 Å²	61	32.2 Å²	32.2	33%	0.326	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.2	178.1	-63.3	-58.1	0	0	0	114.2	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.93Å; D54-Y233 HydrophobicContact CB-CE2 4.13Å; D54-P234 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 VanDerWaalsContact CG-CB 3.43Å; D54-A235 WeakPolarHBondContact OD1-CB 3.25Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 PolarHBondContact OD2-N 2.85Å; D54-F265 HydrophobicContact CB-CE2 3.73Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	96.3	Very high	97.9	Very high	24 Å²	24	36.5 Å²	36.5	15%	0.147	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.7	-173.1	-62.6	0	0	0	0	112.3	Y51 V52 D53 F57 A73 W75 T202 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 2.99Å; V52-T55 PolarHBondContact N-O 2.89Å; V52-T55 WeakPolarHBondContact O-CA 2.98Å; V52-T55 WeakPolarHBondContact O-CB 3.39Å; V52-T55 PolarHBondContact O-N 2.81Å; D53-T55 PolarHBondContact O-N 3.21Å; T55-F57 PolarHBondContact O-N 3.29Å; T55-A73 HydrophobicContact CG2-CB 4.48Å; T55-W75 HydrophobicContact CG2-CZ2 4.44Å; T55-T202 HydrophobicContact CG2-CG2 4.42Å; T55-L203 HydrophobicContact CG2-CD2 3.91Å; T55-Y233 PolarHBondContact OG1-OH 2.83Å; T55-Y233 VanDerWaalsContact OG1-OH 3.04Å
56	Q	97.6	Very high	97.6	Very high	51 Å²	51	34.8 Å²	34.8	24%	0.238	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.6	172.2	-167.2	-179.7	1.7	0	0	110.8	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CG 3.35Å; Y51-Q56 HydrophobicContact CD1-CB 4.09Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.66Å; Y51-Q56 HydrophobicContact CE1-CG 4.4Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Q56-V58 PolarHBondContact NE2-O 2.8Å; Q56-R72 HydrophobicContact CG-CB 4.18Å; Q56-R72 HydrophobicContact CG-CG 4.39Å
57	F	98.3	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-24.6	179.4	75.2	-81.3	0	0	0	114.7	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.32Å; M29-F57 HydrophobicContact CG-CZ 4.43Å; M29-F57 HydrophobicContact SD-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.85Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.17Å; G50-F57 PolarHBondContact O-N 3.42Å; V52-F57 HydrophobicContact CG2-CD1 3.95Å; V52-F57 HydrophobicContact CG2-CE1 3.89Å; T55-F57 PolarHBondContact O-N 3.29Å; F57-R72 PolarHBondContact O-N 3.19Å; F57-A73 HydrophobicContact CB-CB 4.21Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.41Å; F57-W75 VanDerWaalsContact CB-CZ2 3.41Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.82Å; F57-W75 HydrophobicContact CD2-CH2 3.82Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-I76 HydrophobicContact CB-CG2 4.49Å; F57-I76 HydrophobicContact CD2-CB 4.39Å; F57-I76 HydrophobicContact CD2-CD1 3.99Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.29Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; F57-Y195 HydrophobicContact CD2-CE2 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.05Å; F57-Y195 AromaticContact CE2-CE2 3.56Å; F57-Y195 HydrophobicContact CE2-CE2 3.56Å; F57-Y195 AromaticContact CE2-CZ 3.98Å; F57-Y195 HydrophobicContact CZ-CD2 4.09Å; F57-Y195 AromaticContact CZ-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CE2 3.71Å
58	V	98.5	Very high	97.5	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.2	176	-70.4	0	0	0	0	113.8	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 4.09Å; V49-V58 WeakPolarHBondContact CA-O 3.35Å; G50-V58 PolarHBondContact N-O 3.38Å; G50-V58 PolarHBondContact O-N 2.9Å; Q56-V58 PolarHBondContact NE2-O 2.8Å; V58-M69 HydrophobicContact CB-CG 4.07Å; V58-M69 HydrophobicContact CB-SD 3.83Å; V58-M69 HydrophobicContact CG1-CG 4.21Å; V58-M69 HydrophobicContact CG2-SD 4.1Å; V58-E70 WeakPolarHBondContact CA-O 3.22Å; V58-I76 HydrophobicContact CG1-CG1 4.42Å; V58-W84 HydrophobicContact CG1-CH2 3.96Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å
59	R	98.6	Very high	97.5	Very high	89 Å²	89	43.3 Å²	43.3	34%	0.336	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.3	170.4	-179.6	169.2	168.4	174.1	-4	112.1	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.58Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.47Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.22Å; R59-D61 IonicContact CZ-OD2 2.77Å; R59-D61 IonicContact NE-OD2 3.86Å; R59-D61 IonicContact NH2-OD2 3.48Å; R59-D61 PolarHBondContact NH2-OD2 2.83Å; R59-M69 VanDerWaalsContact C-SD 3.56Å; R59-E70 PolarHBondContact N-O 2.71Å; R59-E70 PolarHBondContact O-N 2.71Å; R59-R72 HydrophobicContact CB-CG 4.01Å
60	F	98.8	Very high	97.4	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.022	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.8	161.8	177.6	-84.9	0	0	0	109.6	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.08Å; I47-F60 WeakPolarHBondContact CA-O 3.45Å; A48-F60 HydrophobicContact CB-CB 4.32Å; A48-F60 PolarHBondContact N-O 2.85Å; A48-F60 PolarHBondContact O-N 3.46Å; F60-Q67 HydrophobicContact CE2-CB 4.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.19Å; F60-M69 HydrophobicContact CB-CE 4.33Å; F60-M69 HydrophobicContact CB-SD 3.96Å; F60-V91 HydrophobicContact CB-CG1 4.08Å; F60-V91 HydrophobicContact CB-CG2 3.81Å; F60-V91 HydrophobicContact CD1-CG1 4.28Å; F60-V91 HydrophobicContact CD1-CG2 3.92Å; F60-V91 HydrophobicContact CD2-CB 4.5Å; F60-V91 HydrophobicContact CD2-CG1 3.33Å; F60-V91 HydrophobicContact CD2-CG2 4.34Å; F60-V91 HydrophobicContact CE2-CG1 3.74Å; F60-V91 HydrophobicContact CG-CB 4.39Å; F60-V91 HydrophobicContact CG-CG1 3.64Å; F60-V91 HydrophobicContact CG-CG2 3.77Å; F60-V91 HydrophobicContact CZ-CG1 4.38Å; F60-K92 HydrophobicContact CE2-CG 4.06Å; F60-K92 HydrophobicContact CZ-CG 3.97Å
61	D	98.6	Very high	97.4	Very high	14 Å²	14	46.6 Å²	46.6	8%	0.075	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	122.8	175.3	-157.4	-40	0	0	0	108.9	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.56Å; R45-D61 IonicContact CZ-OD2 2.93Å; R45-D61 IonicContact NE-OD1 3.15Å; R45-D61 PolarHBondContact NE-OD1 2.97Å; R45-D61 IonicContact NE-OD2 3.54Å; R45-D61 VanDerWaalsContact NH2-CG 3.27Å; R45-D61 IonicContact NH2-OD1 3.71Å; R45-D61 PolarHBondContact NH2-OD1 2.99Å; R45-D61 IonicContact NH2-OD2 2.69Å; R45-D61 PolarHBondContact NH2-OD2 2.77Å; R59-D61 IonicContact CZ-OD2 2.77Å; R59-D61 IonicContact NE-OD2 3.86Å; R59-D61 IonicContact NH2-OD2 3.48Å; R59-D61 PolarHBondContact NH2-OD2 2.83Å; D61-D63 PolarHBondContact O-N 2.95Å; D61-D63 PolarHBondContact OD1-N 3.13Å; D61-A64 HydrophobicContact CB-CB 4.17Å; D61-A64 WeakPolarHBondContact O-CB 3.4Å; D61-A64 PolarHBondContact O-N 2.94Å
62	S	98.1	Very high	97.4	Very high	16 Å²	16	48.4 Å²	48.4	11%	0.112	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.1	-176.5	62.2	0	0	0	0	113.5	R45 F46 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.4Å; F46-S62 PolarHBondContact N-OG 2.79Å; F46-S62 PolarHBondContact O-N 3.44Å; F46-S62 PolarHBondContact O-OG 2.91Å; S62-Q67 PolarHBondContact O-NE2 2.87Å
63	D	97.6	Very high	97.3	Very high	74 Å²	74	48.6 Å²	48.6	40%	0.396	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.8	-176.7	-67.8	11	0	0	0	112.1	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.72Å; R38-D63 IonicContact CZ-OD2 3.89Å; R38-D63 IonicContact NH1-OD1 2.83Å; R38-D63 PolarHBondContact NH1-OD1 3.28Å; R38-D63 IonicContact NH1-OD2 2.98Å; R38-D63 PolarHBondContact NH1-OD2 3.46Å; R38-D63 IonicContact NH2-OD1 2.76Å; R38-D63 PolarHBondContact NH2-OD1 2.84Å; R38-D63 IonicContact NH2-OD2 2.67Å; R45-D63 VanDerWaalsContact CD-OD2 3.32Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 IonicContact NE-OD2 3.47Å; D61-D63 PolarHBondContact O-N 2.95Å; D61-D63 PolarHBondContact OD1-N 3.13Å
64	A	97.2	Very high	97.3	Very high	32 Å²	32	51.8 Å²	51.8	26%	0.264	28%	0.281	S	S	.	.	S	Bend	trans	-77.5	138	173.4	0	0	0	0	0	111.2	D61 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.17Å; D61-A64 WeakPolarHBondContact O-CB 3.4Å; D61-A64 PolarHBondContact O-N 2.94Å; A64-S66 PolarHBondContact O-N 2.88Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-Q67 WeakPolarHBondContact O-CG 3.34Å; A64-Q67 PolarHBondContact O-N 3.05Å
65	A	96.4	Very high	97.4	Very high	115 Å²	115	49.6 Å²	49.6	95%	0.95	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-24.4	-177.6	0	0	0	0	0	114.3
66	S	93.3	Very high	97.5	Very high	57 Å²	57	48.5 Å²	48.5	40%	0.399	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-34.6	174.6	57.5	0	0	0	0	112.8	A64 R68 E70	A64-S66 PolarHBondContact O-N 2.88Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 2.8Å; S66-R68 VanDerWaalsContact O-N 3.16Å; S66-E70 WeakPolarHBondContact CB-OE1 3.37Å; S66-E70 PolarHBondContact OG-OE1 2.81Å
67	Q	96.1	Very high	97.5	Very high	89 Å²	89	51.9 Å²	51.9	42%	0.416	28%	0.277	S	S	.	.			trans	34.1	51.9	-163.4	-62	-168.6	-19.8	0	0	112.5	F60 S62 A64 K92	F60-Q67 HydrophobicContact CE2-CB 4.47Å; S62-Q67 PolarHBondContact O-NE2 2.87Å; A64-Q67 WeakPolarHBondContact O-CG 3.34Å; A64-Q67 PolarHBondContact O-N 3.05Å; Q67-K92 WeakPolarHBondContact O-CE 3.31Å; Q67-K92 PolarHBondContact O-NZ 2.89Å
68	R	98	Very high	97.3	Very high	133 Å²	133	57.7 Å²	57.7	50%	0.502	30%	0.304	S	S	.	.	S	Bend	trans	-123.8	159.4	177.5	-93.5	-177.1	152.6	138	-6.4	110.6	F60 S66 D85 T88	F60-R68 WeakPolarHBondContact CD2-O 3.19Å; S66-R68 PolarHBondContact O-N 2.8Å; S66-R68 VanDerWaalsContact O-N 3.16Å; R68-D85 IonicContact CZ-OD1 3.42Å; R68-D85 IonicContact NE-OD1 3.59Å; R68-D85 PolarHBondContact NE-OD1 3.42Å; R68-D85 IonicContact NH2-OD1 3.49Å; R68-D85 PolarHBondContact NH2-OD1 2.89Å; R68-D85 IonicContact NH2-OD2 2.74Å; R68-T88 HydrophobicContact CG-CG2 3.9Å
69	M	98.3	Very high	97.3	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.069	31%	0.306	C	S	.	.			trans	-71.1	126.3	163.5	-169.9	68.2	79.8	0	0	107.6	V58 R59 F60 W84 Q87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.07Å; V58-M69 HydrophobicContact CB-SD 3.83Å; V58-M69 HydrophobicContact CG1-CG 4.21Å; V58-M69 HydrophobicContact CG2-SD 4.1Å; R59-M69 VanDerWaalsContact C-SD 3.56Å; F60-M69 HydrophobicContact CB-CE 4.33Å; F60-M69 HydrophobicContact CB-SD 3.96Å; M69-W84 HydrophobicContact CB-CE3 4.32Å; M69-W84 HydrophobicContact CG-CE3 4.32Å; M69-W84 HydrophobicContact CG-CZ3 4.11Å; M69-Q87 HydrophobicContact CB-CB 3.97Å; M69-Q87 HydrophobicContact CE-CB 4.3Å; M69-Q87 HydrophobicContact CG-CB 3.97Å; M69-T88 PolarHBondContact N-OG1 2.88Å; M69-V91 HydrophobicContact CE-CB 3.85Å; M69-V91 HydrophobicContact CE-CG1 4.02Å; M69-V91 HydrophobicContact CE-CG2 4.04Å
70	E	98.2	Very high	97.2	Very high	58 Å²	58	55.7 Å²	55.7	27%	0.271	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.6	-174.7	-67	176.1	-175.4	0	0	110.8	V58 R59 S66 R72	V58-E70 WeakPolarHBondContact CA-O 3.22Å; R59-E70 PolarHBondContact N-O 2.71Å; R59-E70 PolarHBondContact O-N 2.71Å; S66-E70 WeakPolarHBondContact CB-OE1 3.37Å; S66-E70 PolarHBondContact OG-OE1 2.81Å; E70-R72 IonicContact OE2-CZ 3.11Å; E70-R72 IonicContact OE2-NH1 2.77Å; E70-R72 PolarHBondContact OE2-NH1 3.46Å; E70-R72 IonicContact OE2-NH2 3.88Å; E70-R72 PolarHBondContact OE2-NH2 2.93Å
71	P	98.2	Very high	97.1	Very high	41 Å²	41	60.3 Å²	60.3	27%	0.266	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	151.7	174.8	28.6	-35.4	0	0	0	111.9	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.74Å; P71-E77 HydrophobicContact CB-CG 3.73Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P71-W84 HydrophobicContact CB-CH2 3.69Å; P71-W84 HydrophobicContact CB-CZ2 4.09Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.5Å
72	R	97.6	Very high	97.1	Very high	108 Å²	108	67.9 Å²	67.9	41%	0.408	37%	0.374	S	S	.	.			trans	-133.7	-3.6	174	-61	-63.5	174.7	-116.4	2.2	113.9	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.18Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; F57-R72 PolarHBondContact O-N 3.19Å; R59-R72 HydrophobicContact CB-CG 4.01Å; E70-R72 IonicContact OE2-CZ 3.11Å; E70-R72 IonicContact OE2-NH1 2.77Å; E70-R72 PolarHBondContact OE2-NH1 3.46Å; E70-R72 IonicContact OE2-NH2 3.88Å; E70-R72 PolarHBondContact OE2-NH2 2.93Å
73	A	96.6	Very high	97.1	Very high	5 Å²	5	68.3 Å²	68.3	4%	0.041	37%	0.373	C	S	.	.	S	Bend	trans	-135.6	141.5	172.2	0	0	0	0	0	110.4	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.48Å; F57-A73 HydrophobicContact CB-CB 4.21Å; A73-W75 HydrophobicContact CB-CD2 4.26Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.17Å; A73-W75 PolarHBondContact O-N 3.34Å; A73-W75 VanDerWaalsContact O-N 3.16Å; A73-I76 WeakPolarHBondContact O-CG2 3.43Å; A73-I76 PolarHBondContact O-N 2.91Å
74	P	96.9	Very high	97.1	Very high	101 Å²	101	66.5 Å²	66.5	66%	0.656	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-58.4	-33.8	-175.5	-26.9	35.3	0	0	0	114	I76 E77	P74-I76 PolarHBondContact O-N 2.88Å; P74-E77 WeakPolarHBondContact O-CB 3.31Å; P74-E77 PolarHBondContact O-N 3.26Å; P74-E77 VanDerWaalsContact O-N 3.07Å
75	W	96.6	Very high	97.2	Very high	15 Å²	15	68.1 Å²	68.1	6%	0.057	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-69.8	-13.1	-176.5	56.3	-108.2	0	0	0	114.9	V52 T55 F57 A73 Q78 Y195 N198 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; T55-W75 HydrophobicContact CG2-CZ2 4.44Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.41Å; F57-W75 VanDerWaalsContact CB-CZ2 3.41Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.82Å; F57-W75 HydrophobicContact CD2-CH2 3.82Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CH2 3.46Å; F57-W75 VanDerWaalsContact CG-CH2 3.46Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 HydrophobicContact CB-CD2 4.26Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.17Å; A73-W75 PolarHBondContact O-N 3.34Å; A73-W75 VanDerWaalsContact O-N 3.16Å; W75-Q78 WeakPolarHBondContact O-CG 3.48Å; W75-Q78 PolarHBondContact O-NE2 2.91Å; W75-Y195 HydrophobicContact CH2-CG 4.21Å; W75-Y195 AromaticContact CZ3-CD1 3.88Å; W75-Y195 HydrophobicContact CZ3-CD1 3.88Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.67Å; W75-Y195 HydrophobicContact CZ3-CG 3.67Å; W75-N198 WeakPolarHBondContact CB-O 3.35Å; W75-G199 VanDerWaalsContact CB-CA 3.46Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.19Å; W75-L203 HydrophobicContact CZ2-CD1 3.71Å; W75-L203 HydrophobicContact CZ2-CD2 3.97Å; W75-L203 HydrophobicContact CZ2-CG 4.22Å
76	I	97.8	Very high	97.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-91.8	-17.9	171.2	-162.6	73.2	0	0	0	112.1	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CB-CG2 4.49Å; F57-I76 HydrophobicContact CD2-CB 4.39Å; F57-I76 HydrophobicContact CD2-CD1 3.99Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.29Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; V58-I76 HydrophobicContact CG1-CG1 4.42Å; P71-I76 HydrophobicContact CB-CG2 3.74Å; A73-I76 WeakPolarHBondContact O-CG2 3.43Å; A73-I76 PolarHBondContact O-N 2.91Å; P74-I76 PolarHBondContact O-N 2.88Å; I76-Q78 PolarHBondContact O-N 2.86Å; I76-Q78 VanDerWaalsContact O-N 3.12Å; I76-E79 HydrophobicContact CD1-CG 3.53Å; I76-E79 HydrophobicContact CG1-CG 3.93Å; I76-E79 WeakPolarHBondContact O-CB 3.36Å; I76-E79 VanDerWaalsContact O-CG 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.38Å; I76-E79 PolarHBondContact O-N 3.42Å; I76-Y83 HydrophobicContact CD1-CE1 4.26Å; I76-Y83 HydrophobicContact CG1-CE1 4.21Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.33Å; I76-W84 WeakPolarHBondContact O-CZ2 3.31Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å
77	E	97	Very high	97.4	Very high	122 Å²	122	65.3 Å²	65.3	57%	0.57	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.9	-175.9	-63.1	-178.3	-171.4	0	0	113.4	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.73Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P74-E77 WeakPolarHBondContact O-CB 3.31Å; P74-E77 PolarHBondContact O-N 3.26Å; P74-E77 VanDerWaalsContact O-N 3.07Å; E77-E79 PolarHBondContact O-N 3.37Å
78	Q	95.7	Very high	97.6	Very high	122 Å²	122	61.6 Å²	61.6	57%	0.57	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-8	172.6	68.5	-174	-47.9	0	0	114.6	W75 I76	W75-Q78 WeakPolarHBondContact O-CG 3.48Å; W75-Q78 PolarHBondContact O-NE2 2.91Å; I76-Q78 PolarHBondContact O-N 2.86Å; I76-Q78 VanDerWaalsContact O-N 3.12Å
79	E	97.3	Very high	97.6	Very high	12 Å²	12	63 Å²	63	6%	0.056	32%	0.317	C	S	.	.	S	Bend	trans	-67.1	135	176.3	-70.3	-64.9	169.9	0	0	112	I76 E77 Y83 W84 R194	I76-E79 HydrophobicContact CD1-CG 3.53Å; I76-E79 HydrophobicContact CG1-CG 3.93Å; I76-E79 WeakPolarHBondContact O-CB 3.36Å; I76-E79 VanDerWaalsContact O-CG 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.38Å; I76-E79 PolarHBondContact O-N 3.42Å; E77-E79 PolarHBondContact O-N 3.37Å; E79-Y83 HydrophobicContact CB-CD1 3.47Å; E79-Y83 VanDerWaalsContact CB-CD1 3.47Å; E79-Y83 HydrophobicContact CB-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 3.79Å; E79-Y83 HydrophobicContact CG-CD2 4.46Å; E79-Y83 HydrophobicContact CG-CE1 3.97Å; E79-Y83 HydrophobicContact CG-CG 4.05Å; E79-W84 HydrophobicContact CB-CZ2 4.25Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 2.89Å; E79-R194 VanDerWaalsContact CD-CZ 3.48Å; E79-R194 VanDerWaalsContact CD-NH2 3.26Å; E79-R194 IonicContact OE1-CZ 3.62Å; E79-R194 IonicContact OE1-NE 3.43Å; E79-R194 IonicContact OE1-NH1 3.69Å; E79-R194 PolarHBondContact OE1-NH1 2.86Å; E79-R194 IonicContact OE1-NH2 2.68Å; E79-R194 PolarHBondContact OE1-NH2 2.92Å; E79-R194 VanDerWaalsContact OE1-NH2 3.11Å; E79-R194 IonicContact OE2-CZ 3.8Å; E79-R194 IonicContact OE2-NH1 2.76Å; E79-R194 PolarHBondContact OE2-NH1 3.01Å; E79-R194 IonicContact OE2-NH2 3.81Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å
80	G	97.1	Very high	97.5	Very high	36 Å²	36	66.1 Å²	66.1	37%	0.371	33%	0.333	S	S	.	.			trans	-67.6	163.8	-177.7	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.89Å; G80-E82 VanDerWaalsContact O-N 3.14Å; G80-Y83 WeakPolarHBondContact O-CB 3.38Å; G80-Y83 PolarHBondContact O-N 3.44Å; G80-W84 PolarHBondContact O-N 2.95Å
81	P	97.5	Very high	97.5	Very high	103 Å²	103	63.9 Å²	63.9	67%	0.669	32%	0.324	S	S	*	.	H	α-helix	trans	-58.6	-31.4	-177	23.8	-34.3	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 3.41Å; P81-W84 PolarHBondContact O-N 3.31Å; P81-D85 PolarHBondContact O-N 3.47Å
82	E	97.9	Very high	97.5	Very high	172 Å²	172	65.5 Å²	65.5	80%	0.804	33%	0.327	S	S	*	.	H	α-helix	trans	-60.1	-37.8	176.1	-60.9	-173.7	171.1	0	0	112.6	G80 L86	G80-E82 PolarHBondContact O-N 2.89Å; G80-E82 VanDerWaalsContact O-N 3.14Å; E82-L86 WeakPolarHBondContact O-CB 3.43Å; E82-L86 PolarHBondContact O-N 3.32Å
83	Y	97.6	Very high	97.5	Very high	26 Å²	26	63 Å²	63	10%	0.102	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-50.3	174.1	170.3	-93.1	0	0	0	110.6	I76 E79 G80 P81 D85 L86 Q87 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.26Å; I76-Y83 HydrophobicContact CG1-CE1 4.21Å; E79-Y83 HydrophobicContact CB-CD1 3.47Å; E79-Y83 VanDerWaalsContact CB-CD1 3.47Å; E79-Y83 HydrophobicContact CB-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 3.79Å; E79-Y83 HydrophobicContact CG-CD2 4.46Å; E79-Y83 HydrophobicContact CG-CE1 3.97Å; E79-Y83 HydrophobicContact CG-CG 4.05Å; G80-Y83 WeakPolarHBondContact O-CB 3.38Å; G80-Y83 PolarHBondContact O-N 3.44Å; P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 3.41Å; Y83-D85 PolarHBondContact O-N 2.98Å; Y83-L86 PolarHBondContact O-N 3.46Å; Y83-Q87 HydrophobicContact CD1-CG 4.22Å; Y83-Q87 HydrophobicContact CD2-CG 4.13Å; Y83-Q87 HydrophobicContact CE1-CG 3.84Å; Y83-Q87 HydrophobicContact CE2-CG 3.76Å; Y83-Q87 HydrophobicContact CG-CG 4.35Å; Y83-Q87 WeakPolarHBondContact O-CG 3.47Å; Y83-Q87 PolarHBondContact O-N 3.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 3.36Å
84	W	98.3	Very high	97.6	Very high	36 Å²	36	65 Å²	65	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-39	-177.1	-66.2	109.6	0	0	0	113.2	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.96Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; M69-W84 HydrophobicContact CB-CE3 4.32Å; M69-W84 HydrophobicContact CG-CE3 4.32Å; M69-W84 HydrophobicContact CG-CZ3 4.11Å; P71-W84 HydrophobicContact CB-CH2 3.69Å; P71-W84 HydrophobicContact CB-CZ2 4.09Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.5Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.33Å; I76-W84 WeakPolarHBondContact O-CZ2 3.31Å; E79-W84 HydrophobicContact CB-CZ2 4.25Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 2.89Å; G80-W84 PolarHBondContact O-N 2.95Å; P81-W84 PolarHBondContact O-N 3.31Å; W84-T88 WeakPolarHBondContact O-CB 3.25Å; W84-T88 PolarHBondContact O-N 3.49Å; W84-T88 PolarHBondContact O-OG1 2.97Å
85	D	98.2	Very high	97.6	Very high	66 Å²	66	61 Å²	61	35%	0.353	31%	0.312	S	S	.	.	H	α-helix	trans	-74.2	-32	175.1	-81.5	-20.7	0	0	0	112.6	R68 P81 Y83 R89	R68-D85 IonicContact CZ-OD1 3.42Å; R68-D85 IonicContact NE-OD1 3.59Å; R68-D85 PolarHBondContact NE-OD1 3.42Å; R68-D85 IonicContact NH2-OD1 3.49Å; R68-D85 PolarHBondContact NH2-OD1 2.89Å; R68-D85 IonicContact NH2-OD2 2.74Å; P81-D85 PolarHBondContact O-N 3.47Å; Y83-D85 PolarHBondContact O-N 2.98Å; D85-R89 VanDerWaalsContact O-CB 3.29Å; D85-R89 WeakPolarHBondContact O-CB 3.34Å; D85-R89 PolarHBondContact O-N 2.96Å
86	L	97.6	Very high	97.7	Very high	76 Å²	76	65.3 Å²	65.3	40%	0.398	33%	0.333	S	S	.	.	H	α-helix	trans	-66.4	-49.5	171.1	179	60.4	0	0	0	111.6	E82 Y83 T88 R89 N90	E82-L86 WeakPolarHBondContact O-CB 3.43Å; E82-L86 PolarHBondContact O-N 3.32Å; Y83-L86 PolarHBondContact O-N 3.46Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.94Å; L86-R89 WeakPolarHBondContact O-CB 3.39Å; L86-R89 PolarHBondContact O-N 3.5Å; L86-R89 VanDerWaalsContact O-N 3.17Å; L86-N90 WeakPolarHBondContact O-CB 3.37Å; L86-N90 PolarHBondContact O-N 3.37Å; L86-N90 PolarHBondContact O-ND2 2.86Å; L86-N90 PolarHBondContact O-OD1 2.97Å
87	Q	97.8	Very high	97.7	Very high	36 Å²	36	68.5 Å²	68.5	17%	0.168	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-41.6	176.8	-64.5	-55.3	-18.8	0	0	111.4	M69 Y83 R89 N90 V91	M69-Q87 HydrophobicContact CB-CB 3.97Å; M69-Q87 HydrophobicContact CE-CB 4.3Å; M69-Q87 HydrophobicContact CG-CB 3.97Å; Y83-Q87 HydrophobicContact CD1-CG 4.22Å; Y83-Q87 HydrophobicContact CD2-CG 4.13Å; Y83-Q87 HydrophobicContact CE1-CG 3.84Å; Y83-Q87 HydrophobicContact CE2-CG 3.76Å; Y83-Q87 HydrophobicContact CG-CG 4.35Å; Y83-Q87 WeakPolarHBondContact O-CG 3.47Å; Y83-Q87 PolarHBondContact O-N 3.32Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 3.4Å; Q87-N90 PolarHBondContact O-N 3.44Å; Q87-V91 WeakPolarHBondContact O-CB 3.27Å; Q87-V91 VanDerWaalsContact O-CG1 3.26Å; Q87-V91 WeakPolarHBondContact O-CG1 3.28Å; Q87-V91 PolarHBondContact O-N 2.91Å
88	T	98.5	Very high	97.8	Very high	11 Å²	11	62.8 Å²	62.8	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-39.9	174.3	-63.3	0	0	0	0	112.1	R68 M69 W84 L86 V91 K92	R68-T88 HydrophobicContact CG-CG2 3.9Å; M69-T88 PolarHBondContact N-OG1 2.88Å; W84-T88 WeakPolarHBondContact O-CB 3.25Å; W84-T88 PolarHBondContact O-N 3.49Å; W84-T88 PolarHBondContact O-OG1 2.97Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.94Å; T88-V91 WeakPolarHBondContact O-CG1 3.36Å; T88-K92 HydrophobicContact CG2-CD 4.27Å; T88-K92 WeakPolarHBondContact O-CB 3.4Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.49Å; T88-K92 VanDerWaalsContact O-N 3.16Å
89	R	98.4	Very high	97.8	Very high	164 Å²	164	62.2 Å²	62.2	62%	0.619	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-47.2	176.4	-171.3	-175.2	-57.5	142.4	7	111.4	D85 L86 Q87 K92 A93	D85-R89 VanDerWaalsContact O-CB 3.29Å; D85-R89 WeakPolarHBondContact O-CB 3.34Å; D85-R89 PolarHBondContact O-N 2.96Å; L86-R89 WeakPolarHBondContact O-CB 3.39Å; L86-R89 PolarHBondContact O-N 3.5Å; L86-R89 VanDerWaalsContact O-N 3.17Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 3.4Å; R89-K92 PolarHBondContact O-N 3.01Å; R89-A93 PolarHBondContact O-N 2.03Å
90	N	97.2	Very high	97.9	Very high	78 Å²	78	64.4 Å²	64.4	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-46.2	-178.1	-66.2	-9.6	0	0	0	111.5	L86 Q87 K92 A93 Q94	L86-N90 WeakPolarHBondContact O-CB 3.37Å; L86-N90 PolarHBondContact O-N 3.37Å; L86-N90 PolarHBondContact O-ND2 2.86Å; L86-N90 PolarHBondContact O-OD1 2.97Å; Q87-N90 PolarHBondContact O-N 3.44Å; N90-K92 PolarHBondContact O-N 2.91Å; N90-A93 WeakPolarHBondContact O-CB 3.44Å; N90-A93 PolarHBondContact O-N 3.42Å; N90-Q94 PolarHBondContact O-N 3.24Å
91	V	97.9	Very high	97.9	Very high	11 Å²	11	65.3 Å²	65.3	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-68.6	-33.5	179.8	75.1	0	0	0	0	112.5	F46 A48 F60 M69 Q87 T88 Q94 S95	F46-V91 HydrophobicContact CD1-CG2 4.4Å; F46-V91 HydrophobicContact CE1-CG2 3.44Å; F46-V91 VanDerWaalsContact CE1-CG2 3.44Å; F46-V91 HydrophobicContact CZ-CG2 4.04Å; A48-V91 HydrophobicContact CB-CG2 3.71Å; F60-V91 HydrophobicContact CB-CG1 4.08Å; F60-V91 HydrophobicContact CB-CG2 3.81Å; F60-V91 HydrophobicContact CD1-CG1 4.28Å; F60-V91 HydrophobicContact CD1-CG2 3.92Å; F60-V91 HydrophobicContact CD2-CB 4.5Å; F60-V91 HydrophobicContact CD2-CG1 3.33Å; F60-V91 HydrophobicContact CD2-CG2 4.34Å; F60-V91 HydrophobicContact CE2-CG1 3.74Å; F60-V91 HydrophobicContact CG-CB 4.39Å; F60-V91 HydrophobicContact CG-CG1 3.64Å; F60-V91 HydrophobicContact CG-CG2 3.77Å; F60-V91 HydrophobicContact CZ-CG1 4.38Å; M69-V91 HydrophobicContact CE-CB 3.85Å; M69-V91 HydrophobicContact CE-CG1 4.02Å; M69-V91 HydrophobicContact CE-CG2 4.04Å; Q87-V91 WeakPolarHBondContact O-CB 3.27Å; Q87-V91 VanDerWaalsContact O-CG1 3.26Å; Q87-V91 WeakPolarHBondContact O-CG1 3.28Å; Q87-V91 PolarHBondContact O-N 2.91Å; T88-V91 WeakPolarHBondContact O-CG1 3.36Å; V91-Q94 PolarHBondContact O-N 3.26Å; V91-S95 WeakPolarHBondContact O-CB 3.42Å; V91-S95 PolarHBondContact O-N 3.23Å
92	K	98.3	Very high	97.9	Very high	76 Å²	76	60.8 Å²	60.8	33%	0.33	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-36.3	171.2	-76.3	-175	-178.6	-175.5	0	112.8	F60 Q67 T88 R89 N90 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.06Å; F60-K92 HydrophobicContact CZ-CG 3.97Å; Q67-K92 WeakPolarHBondContact O-CE 3.31Å; Q67-K92 PolarHBondContact O-NZ 2.89Å; T88-K92 HydrophobicContact CG2-CD 4.27Å; T88-K92 WeakPolarHBondContact O-CB 3.4Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.49Å; T88-K92 VanDerWaalsContact O-N 3.16Å; R89-K92 PolarHBondContact O-N 3.01Å; N90-K92 PolarHBondContact O-N 2.91Å; K92-S95 PolarHBondContact O-N 2.87Å; K92-Q96 PolarHBondContact O-N 2.88Å; K92-Q96 VanDerWaalsContact O-N 3.17Å
93	A	98.2	Very high	97.9	Very high	56 Å²	56	54.3 Å²	54.3	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-63.8	-48.1	173.4	0	0	0	0	0	111	R89 N90 S95 Q96 T97	R89-A93 PolarHBondContact O-N 2.03Å; N90-A93 WeakPolarHBondContact O-CB 3.44Å; N90-A93 PolarHBondContact O-N 3.42Å; A93-S95 VanDerWaalsContact C-N 3.27Å; A93-S95 PolarHBondContact O-N 2.9Å; A93-Q96 PolarHBondContact O-N 3.42Å; A93-Q96 VanDerWaalsContact O-N 3.15Å; A93-T97 PolarHBondContact O-N 2.93Å; A93-T97 PolarHBondContact O-OG1 3.45Å
94	Q	97.9	Very high	97.9	Very high	47 Å²	47	55.7 Å²	55.7	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-40.3	173.9	-170.2	64.1	56.8	0	0	111.6	F46 N90 V91 Q96 T97 D98 M121	F46-Q94 HydrophobicContact CE2-CB 4.34Å; F46-Q94 HydrophobicContact CE2-CG 3.97Å; F46-Q94 HydrophobicContact CZ-CB 4.18Å; F46-Q94 HydrophobicContact CZ-CG 4.01Å; N90-Q94 PolarHBondContact O-N 3.24Å; V91-Q94 PolarHBondContact O-N 3.26Å; Q94-Q96 VanDerWaalsContact C-N 3.34Å; Q94-Q96 PolarHBondContact O-N 2.91Å; Q94-T97 WeakPolarHBondContact O-CB 2.95Å; Q94-T97 PolarHBondContact O-N 2.9Å; Q94-T97 VanDerWaalsContact O-N 3.14Å; Q94-D98 PolarHBondContact NE2-OD1 2.94Å; Q94-D98 PolarHBondContact O-N 3.36Å; Q94-M121 HydrophobicContact CG-CE 3.98Å; Q94-M121 HydrophobicContact CG-SD 4.47Å
95	S	98	Very high	97.9	Very high	16 Å²	16	54.5 Å²	54.5	11%	0.112	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-37.3	176.7	179.6	0	0	0	0	114	F46 V91 K92 A93 R99	F46-S95 WeakPolarHBondContact CB-OG 3.36Å; F46-S95 VanDerWaalsContact CD2-CA 3.4Å; V91-S95 WeakPolarHBondContact O-CB 3.42Å; V91-S95 PolarHBondContact O-N 3.23Å; K92-S95 PolarHBondContact O-N 2.87Å; A93-S95 VanDerWaalsContact C-N 3.27Å; A93-S95 PolarHBondContact O-N 2.9Å; S95-R99 WeakPolarHBondContact O-CB 3.33Å; S95-R99 PolarHBondContact O-N 2.89Å; S95-R99 VanDerWaalsContact O-N 3.16Å
96	Q	97.9	Very high	97.8	Very high	106 Å²	106	54.6 Å²	54.6	50%	0.495	29%	0.287	S	S	.	.	H	α-helix	trans	-75.5	-32.9	173.7	-61.4	-48.3	-63.6	0	0	112.5	K92 A93 Q94 R99 A100	K92-Q96 PolarHBondContact O-N 2.88Å; K92-Q96 VanDerWaalsContact O-N 3.17Å; A93-Q96 PolarHBondContact O-N 3.42Å; A93-Q96 VanDerWaalsContact O-N 3.15Å; Q94-Q96 VanDerWaalsContact C-N 3.34Å; Q94-Q96 PolarHBondContact O-N 2.91Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-R99 PolarHBondContact O-N 2.89Å; Q96-A100 PolarHBondContact O-N 3.33Å; Q96-A100 VanDerWaalsContact O-N 3.13Å
97	T	97.9	Very high	97.8	Very high	66 Å²	66	53.1 Å²	53.1	41%	0.405	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-48.7	172.3	-60.9	0	0	0	0	111.3	A93 Q94 R99 A100 N101	A93-T97 PolarHBondContact O-N 2.93Å; A93-T97 PolarHBondContact O-OG1 3.45Å; Q94-T97 WeakPolarHBondContact O-CB 2.95Å; Q94-T97 PolarHBondContact O-N 2.9Å; Q94-T97 VanDerWaalsContact O-N 3.14Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.29Å; T97-A100 PolarHBondContact O-N 2.9Å; T97-A100 VanDerWaalsContact O-N 3.13Å; T97-N101 WeakPolarHBondContact O-CB 3.3Å; T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 3.05Å; T97-N101 PolarHBondContact O-ND2 3.09Å
98	D	97.8	Very high	97.8	Very high	2 Å²	2	54 Å²	54	1%	0.011	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-39	178.2	-78.2	23.9	0	0	0	112	S35 F46 Q94 A100 N101 L102	S35-D98 WeakPolarHBondContact CB-OD2 3.13Å; S35-D98 VanDerWaalsContact OG-CB 3.3Å; S35-D98 WeakPolarHBondContact OG-CB 3.19Å; S35-D98 PolarHBondContact OG-OD2 2.93Å; F46-D98 HydrophobicContact CD2-CB 4.26Å; F46-D98 HydrophobicContact CE2-CB 4.38Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.3Å; Q94-D98 PolarHBondContact NE2-OD1 2.94Å; Q94-D98 PolarHBondContact O-N 3.36Å; D98-A100 VanDerWaalsContact C-N 3.34Å; D98-A100 PolarHBondContact O-N 3.43Å; D98-N101 PolarHBondContact O-N 3.37Å; D98-L102 WeakPolarHBondContact O-CB 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.2Å; D98-L102 PolarHBondContact O-N 3.09Å
99	R	97.5	Very high	97.8	Very high	110 Å²	110	56.7 Å²	56.7	42%	0.415	30%	0.302	S	S	.	.	H	α-helix	trans	-56.4	-45.9	171.8	175.1	-165.7	171.2	149	18.2	111.8	E43 P44 S95 Q96 T97	E43-R99 IonicContact OE1-CZ 2.71Å; E43-R99 IonicContact OE1-NH1 3.15Å; E43-R99 PolarHBondContact OE1-NH1 2.86Å; E43-R99 IonicContact OE1-NH2 3.13Å; E43-R99 PolarHBondContact OE1-NH2 2.95Å; E43-R99 IonicContact OE2-CZ 3.1Å; E43-R99 IonicContact OE2-NE 2.91Å; E43-R99 PolarHBondContact OE2-NE 3.3Å; E43-R99 IonicContact OE2-NH1 2.78Å; E43-R99 PolarHBondContact OE2-NH1 3.37Å; E43-R99 IonicContact OE2-NH2 3.32Å; E43-R99 PolarHBondContact OE2-NH2 2.98Å; P44-R99 HydrophobicContact CG-CG 4.34Å; S95-R99 WeakPolarHBondContact O-CB 3.33Å; S95-R99 PolarHBondContact O-N 2.89Å; S95-R99 VanDerWaalsContact O-N 3.16Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-R99 PolarHBondContact O-N 2.89Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.29Å
100	A	97.8	Very high	97.7	Very high	58 Å²	58	56 Å²	56	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-70.5	-35.8	177.8	0	0	0	0	0	112.2	Q96 T97 D98 G103 T104	Q96-A100 PolarHBondContact O-N 3.33Å; Q96-A100 VanDerWaalsContact O-N 3.13Å; T97-A100 PolarHBondContact O-N 2.9Å; T97-A100 VanDerWaalsContact O-N 3.13Å; D98-A100 VanDerWaalsContact C-N 3.34Å; D98-A100 PolarHBondContact O-N 3.43Å; A100-G103 PolarHBondContact O-N 3.38Å; A100-T104 PolarHBondContact O-N 3.29Å; A100-T104 VanDerWaalsContact O-N 3.12Å; A100-T104 PolarHBondContact O-OG1 3.18Å
101	N	98	Very high	97.7	Very high	55 Å²	55	55 Å²	55	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-67	-40.4	176.1	-70.4	-17.7	0	0	0	111.7	T97 D98 G103 T104 L105 I119	T97-N101 WeakPolarHBondContact O-CB 3.3Å; T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 3.05Å; T97-N101 PolarHBondContact O-ND2 3.09Å; D98-N101 PolarHBondContact O-N 3.37Å; N101-G103 VanDerWaalsContact C-N 3.32Å; N101-G103 PolarHBondContact O-N 2.94Å; N101-T104 CarbonylContact O-C 3.59Å; N101-T104 WeakPolarHBondContact O-CA 3.32Å; N101-T104 WeakPolarHBondContact O-CB 3.47Å; N101-T104 PolarHBondContact O-N 2.89Å; N101-L105 WeakPolarHBondContact O-CG 3.35Å; N101-L105 PolarHBondContact O-N 3.07Å; N101-I119 HydrophobicContact CB-CD1 3.49Å; N101-I119 VanDerWaalsContact CB-CD1 3.49Å
102	L	98.1	Very high	97.6	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-55.9	-44.3	176.3	-82.8	162.7	0	0	0	112.1	P44 D98 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.63Å; P44-L102 HydrophobicContact CG-CD1 3.75Å; D98-L102 WeakPolarHBondContact O-CB 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.2Å; D98-L102 PolarHBondContact O-N 3.09Å; L102-R106 VanDerWaalsContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 3.46Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; L102-I119 HydrophobicContact CD2-CD1 4.21Å; L102-I119 HydrophobicContact CD2-CG1 3.9Å; L102-I119 HydrophobicContact CG-CD1 3.85Å; L102-I119 HydrophobicContact CG-CG1 4.07Å; L102-Y142 HydrophobicContact CD2-CE2 4.32Å
103	G	96.3	Very high	97.3	Very high	37 Å²	37	61.1 Å²	61.1	38%	0.381	34%	0.341	S	S	.	.	H	α-helix	trans	-67.6	-34.5	173.8	0	0	0	0	0	113.3	A100 N101 G107	A100-G103 PolarHBondContact O-N 3.38Å; N101-G103 VanDerWaalsContact C-N 3.32Å; N101-G103 PolarHBondContact O-N 2.94Å; G103-G107 PolarHBondContact O-N 3.37Å
104	T	97.8	Very high	97.1	Very high	55 Å²	55	62.4 Å²	62.4	34%	0.337	35%	0.352	S	S	.	.	H	α-helix	trans	-70.1	-49	179.7	-58.3	0	0	0	0	112.4	A100 N101 G107 Y108	A100-T104 PolarHBondContact O-N 3.29Å; A100-T104 VanDerWaalsContact O-N 3.12Å; A100-T104 PolarHBondContact O-OG1 3.18Å; N101-T104 CarbonylContact O-C 3.59Å; N101-T104 WeakPolarHBondContact O-CA 3.32Å; N101-T104 WeakPolarHBondContact O-CB 3.47Å; N101-T104 PolarHBondContact O-N 2.89Å; T104-G107 WeakPolarHBondContact O-CA 3.34Å; T104-G107 PolarHBondContact O-N 3.3Å; T104-G107 VanDerWaalsContact O-N 3.13Å; T104-Y108 HydrophobicContact CG2-CD1 4.39Å; T104-Y108 HydrophobicContact CG2-CE1 3.75Å; T104-Y108 HydrophobicContact CG2-CE2 4.02Å; T104-Y108 PolarHBondContact O-N 3Å
105	L	98.1	Very high	97	Very high	10 Å²	10	61.1 Å²	61.1	5%	0.052	35%	0.352	C	S	.	.	H	α-helix	trans	-64.4	-46	-179.9	-64.8	177.4	0	0	0	111	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CG 3.35Å; N101-L105 PolarHBondContact O-N 3.07Å; L105-G107 PolarHBondContact O-N 3.5Å; L105-G107 VanDerWaalsContact O-N 3.14Å; L105-Y108 HydrophobicContact CD2-CD2 4.05Å; L105-Y108 HydrophobicContact CD2-CE2 4.34Å; L105-Y108 PolarHBondContact O-N 2.91Å; L105-Y109 HydrophobicContact CB-CD2 4.47Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 2.95Å; L105-I119 HydrophobicContact CD1-CD1 3.67Å; L105-I119 HydrophobicContact CD1-CG1 3.77Å; L105-Y142 HydrophobicContact CB-CD1 4.27Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.86Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD1 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.45Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.45Å; L105-Y142 HydrophobicContact CD1-CE2 3.79Å; L105-Y142 HydrophobicContact CD1-CG 3.79Å; L105-Y142 HydrophobicContact CG-CD2 4.48Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD2 4.45Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.68Å; L105-Y147 VanDerWaalsContact CD2-OH 3.3Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.25Å
106	R	97.3	Very high	96.9	Very high	69 Å²	69	64.1 Å²	64.1	26%	0.26	37%	0.373	S	S	.	.	H	α-helix	trans	-51.7	-38	172	-172.8	-165.3	67.8	167.2	11.9	111.9	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 3.46Å; R106-N110 PolarHBondContact O-N 2.97Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 PolarHBondContact O-N 2.89Å; R106-E113 IonicContact CZ-OE1 2.8Å; R106-E113 IonicContact NH1-OE1 2.85Å; R106-E113 PolarHBondContact NH1-OE1 3.2Å; R106-E113 IonicContact NH2-OE1 3.23Å; R106-E113 PolarHBondContact NH2-OE1 2.83Å; R106-Y142 PolarHBondContact N-OH 2.93Å
107	G	97.3	Very high	97	Very high	45 Å²	45	59.8 Å²	59.8	46%	0.464	35%	0.352	S	S	.	.	H	α-helix	trans	-66.9	-49.5	172.5	0	0	0	0	0	113.6	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 3.37Å; T104-G107 WeakPolarHBondContact O-CA 3.34Å; T104-G107 PolarHBondContact O-N 3.3Å; T104-G107 VanDerWaalsContact O-N 3.13Å; L105-G107 PolarHBondContact O-N 3.5Å; L105-G107 VanDerWaalsContact O-N 3.14Å; G107-Y109 VanDerWaalsContact C-N 3.29Å; G107-Y109 PolarHBondContact O-N 3.03Å; G107-N110 PolarHBondContact O-N 3.45Å; G107-N110 VanDerWaalsContact O-N 3.15Å
108	Y	98	Very high	97	Very high	53 Å²	53	58.1 Å²	58.1	21%	0.208	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-38.8	177.8	-64.2	-13.6	0	0	0	112.8	T104 L105 N110 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.39Å; T104-Y108 HydrophobicContact CG2-CE1 3.75Å; T104-Y108 HydrophobicContact CG2-CE2 4.02Å; T104-Y108 PolarHBondContact O-N 3Å; L105-Y108 HydrophobicContact CD2-CD2 4.05Å; L105-Y108 HydrophobicContact CD2-CE2 4.34Å; L105-Y108 PolarHBondContact O-N 2.91Å; Y108-N110 PolarHBondContact O-ND2 3.27Å; Y108-A163 HydrophobicContact CD2-CB 4.21Å; Y108-A163 HydrophobicContact CG-CB 4.47Å; Y108-I166 HydrophobicContact CD1-CD1 4.15Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CD1 4.33Å; Y108-I166 HydrophobicContact CE1-CG2 4.03Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.19Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; Y108-K170 PolarHBondContact OH-NZ 3.12Å
109	Y	98	Very high	97	Very high	68 Å²	68	58.4 Å²	58.4	27%	0.267	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	2.1	179.7	-68.6	-69.6	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CB-CD2 4.47Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 2.95Å; G107-Y109 VanDerWaalsContact C-N 3.29Å; G107-Y109 PolarHBondContact O-N 3.03Å; Y109-Q111 PolarHBondContact O-N 2.82Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CG 4.5Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.14Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.37Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.25Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.44Å; Y109-D161 PolarHBondContact OH-OD2 2.98Å; Y109-A163 HydrophobicContact CD1-CB 4.34Å; Y109-A163 HydrophobicContact CE1-CB 3.77Å; Y109-A163 HydrophobicContact CE2-CB 4.09Å
110	N	97.1	Very high	97.1	Very high	150 Å²	150	57 Å²	57	80%	0.802	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	36.4	-178.4	-55.3	-86.4	0	0	0	113.6	R106 G107 Y108	R106-N110 PolarHBondContact O-N 2.97Å; G107-N110 PolarHBondContact O-N 3.45Å; G107-N110 VanDerWaalsContact O-N 3.15Å; Y108-N110 PolarHBondContact O-ND2 3.27Å
111	Q	97.4	Very high	97.1	Very high	57 Å²	57	54.6 Å²	54.6	27%	0.266	32%	0.321	S	S	.	.			trans	-84.4	153.8	-176.2	-71	164.3	-46.4	0	0	112.4	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 PolarHBondContact O-N 2.89Å; Y109-Q111 PolarHBondContact O-N 2.82Å; Q111-H117 PolarHBondContact NE2-CE1 3.27Å; Q111-H117 PolarHBondContact NE2-ND1 3.22Å; Q111-Y142 PolarHBondContact OE1-OH 3.46Å; Q111-D143 PolarHBondContact NE2-OD2 3.45Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.12Å
112	S	95.5	Very high	97.2	Very high	82 Å²	82	53.2 Å²	53.2	57%	0.573	31%	0.313	S	S	*	.			trans	-70.3	145	-178	179.3	0	0	0	0	113	A114 G115	S112-A114 PolarHBondContact O-N 3.44Å; S112-A114 PolarHBondContact OG-N 2.72Å; S112-G115 PolarHBondContact O-N 3.03Å
113	E	92.5	Very high	97.2	Very high	133 Å²	133	55.2 Å²	55.2	62%	0.621	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.2	174.8	-57.1	-142.6	100.4	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.49Å; R106-E113 IonicContact CZ-OE1 2.8Å; R106-E113 IonicContact NH1-OE1 2.85Å; R106-E113 PolarHBondContact NH1-OE1 3.2Å; R106-E113 IonicContact NH2-OE1 3.23Å; R106-E113 PolarHBondContact NH2-OE1 2.83Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.97Å
114	A	93.6	Very high	97.3	Very high	83 Å²	83	53.4 Å²	53.4	69%	0.686	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.7	174.9	0	0	0	0	0	113.4	S112	S112-A114 PolarHBondContact O-N 3.44Å; S112-A114 PolarHBondContact OG-N 2.72Å
115	G	94.4	Very high	97.3	Very high	21 Å²	21	50.8 Å²	50.8	22%	0.216	29%	0.286	C	S	.	.			trans	-73.6	131.2	179.4	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.39Å; S112-G115 PolarHBondContact O-N 3.03Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.97Å; G115-H117 PolarHBondContact O-CD2 3.4Å
116	S	97.6	Very high	97.3	Very high	78 Å²	78	51.6 Å²	51.6	55%	0.545	29%	0.29	S	S	.	.			trans	-79.8	125.8	161.9	-176.9	0	0	0	0	108.1	S37	S37-S116 PolarHBondContact O-OG 3.13Å
117	H	98.4	Very high	97.3	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.069	28%	0.278	C	S	.	.			trans	-129.4	150.5	-176	-66.2	-72.2	0	0	0	110.7	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 2.67Å; S37-H117 PolarHBondContact OG-N 3.44Å; S37-H117 PolarHBondContact OG-O 2.87Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; Q111-H117 PolarHBondContact NE2-CE1 3.27Å; Q111-H117 PolarHBondContact NE2-ND1 3.22Å; G115-H117 PolarHBondContact O-CD2 3.4Å; H117-Y142 HydrophobicContact CB-CE2 3.98Å; H117-Y142 WeakPolarHBondContact CB-OH 3.26Å; H117-D143 WeakPolarHBondContact CA-OD1 3.38Å; H117-D143 WeakPolarHBondContact CB-OD1 3.29Å; H117-D143 IonicContact CE1-OD2 3.38Å; H117-D143 IonicContact CG-OD1 3.55Å; H117-D143 IonicContact CG-OD2 2.89Å; H117-D143 IonicContact ND1-OD1 3.65Å; H117-D143 PolarHBondContact ND1-OD1 3.08Å; H117-D143 IonicContact ND1-OD2 3.04Å; H117-D143 PolarHBondContact ND1-OD2 3.49Å
118	T	98.8	Very high	97.2	Very high	32 Å²	32	46.7 Å²	46.7	20%	0.196	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.5	-175.2	-55.7	0	0	0	0	111.3	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.94Å; S35-T118 WeakPolarHBondContact O-CA 3.48Å; V36-T118 HydrophobicContact CG2-CG2 4.08Å; T118-Q120 HydrophobicContact CG2-CG 4.05Å; T118-Y142 CarbonylContact O-C 3.5Å; T118-Y142 WeakPolarHBondContact O-CA 3.34Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; T118-D143 PolarHBondContact N-OD1 3.46Å; T118-D143 PolarHBondContact O-N 3.23Å
119	I	98.8	Very high	96.8	Very high	7 Å²	7	49 Å²	49	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.5	159.9	-65	175.7	0	0	0	108.2	T34 S35 N101 L102 L105 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.47Å; S35-I119 PolarHBondContact N-O 2.72Å; S35-I119 PolarHBondContact O-N 2.87Å; N101-I119 HydrophobicContact CB-CD1 3.49Å; N101-I119 VanDerWaalsContact CB-CD1 3.49Å; L102-I119 HydrophobicContact CD2-CD1 4.21Å; L102-I119 HydrophobicContact CD2-CG1 3.9Å; L102-I119 HydrophobicContact CG-CD1 3.85Å; L102-I119 HydrophobicContact CG-CG1 4.07Å; L105-I119 HydrophobicContact CD1-CD1 3.67Å; L105-I119 HydrophobicContact CD1-CG1 3.77Å; I119-A141 WeakPolarHBondContact CA-O 3.38Å; I119-Y142 HydrophobicContact CG1-CD2 3.87Å; I119-Y142 HydrophobicContact CG1-CE2 4.23Å
120	Q	98.8	Very high	96.5	Very high	82 Å²	82	50 Å²	50	38%	0.383	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.6	167.3	-75.9	168.7	-97.4	0	0	109.3	T33 T34 T118 D140 A141	T33-Q120 WeakPolarHBondContact O-CA 3.35Å; T34-Q120 HydrophobicContact CG2-CG 3.99Å; T118-Q120 HydrophobicContact CG2-CG 4.05Å; Q120-D140 WeakPolarHBondContact O-CA 3.13Å; Q120-A141 HydrophobicContact CB-CB 4.25Å; Q120-A141 PolarHBondContact N-O 2.83Å; Q120-A141 PolarHBondContact O-N 2.86Å
121	M	98.5	Very high	96.2	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	127.4	-174.4	-175.2	-172	82.6	0	0	109.4	F32 T33 Q94 Y123 R138 Q139	F32-M121 CarbonylContact C-O 3.6Å; F32-M121 WeakPolarHBondContact CA-O 3.45Å; T33-M121 HydrophobicContact CG2-CE 3.59Å; T33-M121 PolarHBondContact N-O 3.32Å; T33-M121 PolarHBondContact O-N 2.75Å; T33-M121 WeakPolarHBondContact OG1-CB 3.44Å; T33-M121 VanDerWaalsContact OG1-CE 3.29Å; T33-M121 WeakPolarHBondContact OG1-CE 3.46Å; Q94-M121 HydrophobicContact CG-CE 3.98Å; Q94-M121 HydrophobicContact CG-SD 4.47Å; M121-Y123 HydrophobicContact CE-CD1 3.67Å; M121-Y123 HydrophobicContact CE-CE1 3.54Å; M121-R138 PolarHBondContact SD-NH1 3.05Å; M121-R138 PolarHBondContact SD-NH2 3.17Å; M121-Q139 CarbonylContact C-O 3.58Å; M121-Q139 WeakPolarHBondContact CA-O 3.2Å
122	M	98.6	Very high	96.1	Very high	27 Å²	27	48.9 Å²	48.9	13%	0.133	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.2	171.5	-170.9	-80.3	-76.6	0	0	109.7	Y31 F32 Y137 R138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.34Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.55Å; F32-M122 HydrophobicContact CE1-CB 4.16Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CG-CG 4.28Å; F32-M122 HydrophobicContact CZ-CG 3.98Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.2Å; M122-R138 CarbonylContact O-C 3.54Å; M122-R138 WeakPolarHBondContact O-CA 3.21Å; M122-Q139 VanDerWaalsContact CE-NE2 3.31Å; M122-Q139 PolarHBondContact N-O 3.14Å; M122-Q139 PolarHBondContact O-N 2.65Å
123	Y	98.5	Very high	96.2	Very high	49 Å²	49	47.8 Å²	47.8	19%	0.192	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.3	171.3	70.7	-81.4	0	0	0	111.1	Y31 M121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.46Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.41Å; Y31-Y123 AromaticContact CD2-CE2 3.7Å; Y31-Y123 HydrophobicContact CD2-CE2 3.7Å; Y31-Y123 AromaticContact CD2-CZ 3.8Å; Y31-Y123 HydrophobicContact CE2-CE2 4.46Å; Y31-Y123 HydrophobicContact CG-CE1 4.24Å; Y31-Y123 HydrophobicContact CG-CE2 4.14Å; Y31-Y123 AromaticContact CG-CZ 3.75Å; Y31-Y123 PolarHBondContact N-O 2.92Å; Y31-Y123 PolarHBondContact O-N 2.93Å; M121-Y123 HydrophobicContact CE-CD1 3.67Å; M121-Y123 HydrophobicContact CE-CE1 3.54Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 WeakPolarHBondContact CB-O 3.38Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.81Å; Y123-Y183 HydrophobicContact CE2-CE1 3.81Å
124	G	98.5	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.5	178.6	-174.5	0	0	0	0	0	113.9	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.21Å; G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.31Å; G124-Y137 PolarHBondContact N-O 3Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 3.3Å; G124-L184 VanDerWaalsContact O-CD2 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.41Å
125	C	98.6	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.4	-176.8	56.7	0	0	0	0	111.1	S28 M29 F133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.4Å; M29-C125 PolarHBondContact N-O 3.19Å; M29-C125 PolarHBondContact O-N 3.06Å; C125-F133 HydrophobicContact CB-CD2 4.3Å; C125-F133 HydrophobicContact CB-CE2 3.98Å; C125-R135 CarbonylContact C-O 3.56Å; C125-R135 WeakPolarHBondContact CA-O 3Å; C125-C188 HydrophobicContact CB-CB 3.87Å; C125-C188 WeakPolarHBondContact CB-SG 3.44Å; C125-C188 PolarHBondContact N-SG 3.25Å; C125-C188 WeakPolarHBondContact SG-CB 3.16Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.87Å
126	D	98.2	Very high	96.8	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.139	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.7	176.3	-60.1	0.5	0	0	0	109.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; S28-D126 VanDerWaalsContact CB-OD1 3.25Å; S28-D126 WeakPolarHBondContact CB-OD1 3.2Å; R30-D126 IonicContact CZ-OD1 2.84Å; R30-D126 VanDerWaalsContact CZ-OD1 3.23Å; R30-D126 IonicContact CZ-OD2 3.88Å; R30-D126 IonicContact NE-OD1 3.73Å; R30-D126 PolarHBondContact NE-OD1 3.02Å; R30-D126 IonicContact NH2-OD1 3.83Å; R30-D126 PolarHBondContact NH2-OD1 2.78Å; R30-D126 IonicContact NH2-OD2 2.7Å; R30-D126 PolarHBondContact NH2-OD2 3.4Å; D126-L134 PolarHBondContact O-N 2.61Å; D126-R135 PolarHBondContact N-O 3.11Å; D126-R135 PolarHBondContact O-N 2.99Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.29Å; D126-Y137 PolarHBondContact OD2-OH 2.83Å
127	V	97.3	Very high	96.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151	178.9	-61.5	0	0	0	0	111.3	S26 H27 R132 V189 L192 L196	S26-V127 CarbonylContact C-O 3.59Å; S26-V127 WeakPolarHBondContact CA-O 3.34Å; H27-V127 HydrophobicContact CB-CG2 4.01Å; H27-V127 PolarHBondContact N-O 3.24Å; H27-V127 PolarHBondContact O-N 2.85Å; V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.4Å; V127-R132 WeakPolarHBondContact CB-O 3.35Å; V127-V189 HydrophobicContact CG1-CB 4.48Å; V127-V189 HydrophobicContact CG1-CG1 4.03Å; V127-V189 HydrophobicContact CG1-CG2 4.1Å; V127-L192 HydrophobicContact CB-CD2 4.43Å; V127-L192 HydrophobicContact CG1-CD2 4.04Å; V127-L192 HydrophobicContact CG2-CD2 3.68Å; V127-L192 HydrophobicContact CG2-CG 4.22Å; V127-L196 HydrophobicContact CG2-CD1 4.47Å
128	G	94.4	Very high	96.8	Very high	11 Å²	11	44.9 Å²	44.9	11%	0.113	22%	0.223	C	C	.	.			trans	-77.4	177.6	171.8	0	0	0	0	0	112.5	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.33Å; G128-G131 WeakPolarHBondContact O-CA 3.46Å; G128-G131 PolarHBondContact O-N 2.98Å; G128-R132 PolarHBondContact N-O 3.25Å
129	S	90.2	Very high	96.8	Very high	101 Å²	101	47.1 Å²	47.1	71%	0.706	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.1	176.5	45.9	0	0	0	0	114.3	G25 G131	G25-S129 WeakPolarHBondContact O-CA 3.42Å; G25-S129 VanDerWaalsContact O-CB 3.27Å; G25-S129 WeakPolarHBondContact O-CB 3.39Å; G25-S129 PolarHBondContact O-N 2.88Å; S129-G131 VanDerWaalsContact C-N 3.34Å
130	D	90.3	Very high	96.8	Very high	89 Å²	89	47.6 Å²	47.6	48%	0.476	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	7	167.5	62.4	21	0	0	0	113.4	G128 R132	G128-D130 PolarHBondContact O-N 3.33Å; D130-R132 VanDerWaalsContact CG-NE 3.31Å; D130-R132 PolarHBondContact O-N 3.45Å; D130-R132 VanDerWaalsContact OD1-CB 3.23Å; D130-R132 WeakPolarHBondContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CG 3.36Å; D130-R132 PolarHBondContact OD1-N 3.2Å; D130-R132 IonicContact OD1-NE 3.11Å; D130-R132 PolarHBondContact OD1-NE 3.19Å; D130-R132 IonicContact OD2-CZ 3.46Å; D130-R132 IonicContact OD2-NE 3.13Å; D130-R132 PolarHBondContact OD2-NE 3.06Å; D130-R132 IonicContact OD2-NH2 3.84Å; D130-R132 PolarHBondContact OD2-NH2 3.35Å
131	G	91.6	Very high	96.8	Very high	16 Å²	16	44.5 Å²	44.5	17%	0.165	22%	0.223	C	C	.	.			trans	68.1	11	-179	0	0	0	0	0	114.8	G128 S129 R193	G128-G131 WeakPolarHBondContact O-CA 3.46Å; G128-G131 PolarHBondContact O-N 2.98Å; S129-G131 VanDerWaalsContact C-N 3.34Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.99Å; G131-R193 PolarHBondContact O-NH2 2.86Å
132	R	95.5	Very high	96.8	Very high	167 Å²	167	44.8 Å²	44.8	63%	0.63	22%	0.223	S	C	*	.			trans	-82.1	145.5	175.3	-64.4	-174.1	-68.7	165.5	-3.3	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.4Å; V127-R132 WeakPolarHBondContact CB-O 3.35Å; G128-R132 PolarHBondContact N-O 3.25Å; D130-R132 VanDerWaalsContact CG-NE 3.31Å; D130-R132 PolarHBondContact O-N 3.45Å; D130-R132 VanDerWaalsContact OD1-CB 3.23Å; D130-R132 WeakPolarHBondContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CG 3.36Å; D130-R132 PolarHBondContact OD1-N 3.2Å; D130-R132 IonicContact OD1-NE 3.11Å; D130-R132 PolarHBondContact OD1-NE 3.19Å; D130-R132 IonicContact OD2-CZ 3.46Å; D130-R132 IonicContact OD2-NE 3.13Å; D130-R132 PolarHBondContact OD2-NE 3.06Å; D130-R132 IonicContact OD2-NH2 3.84Å; D130-R132 PolarHBondContact OD2-NH2 3.35Å; R132-L134 PolarHBondContact O-N 2.79Å
133	F	97.7	Very high	96.8	Very high	59 Å²	59	46.4 Å²	46.4	26%	0.259	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	128.9	174.9	-177.4	-103.5	0	0	0	111.7	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.3Å; C125-F133 HydrophobicContact CB-CE2 3.98Å; F133-R135 VanDerWaalsContact CE2-C 3.44Å; F133-R135 VanDerWaalsContact CE2-O 3.23Å; F133-R135 WeakPolarHBondContact CE2-O 3.44Å; F133-G136 VanDerWaalsContact CZ-N 3.25Å; F133-L154 HydrophobicContact CE1-CD1 3.84Å; F133-L154 HydrophobicContact CZ-CD1 3.64Å; F133-L184 HydrophobicContact CE2-CB 4.49Å; F133-L184 VanDerWaalsContact CE2-O 3.29Å; F133-L184 WeakPolarHBondContact CE2-O 3.13Å; F133-E185 HydrophobicContact CD1-CG 4.24Å; F133-E185 HydrophobicContact CE1-CG 3.93Å; F133-E185 HydrophobicContact CE2-CG 4.49Å; F133-E185 HydrophobicContact CZ-CG 4.04Å; F133-V189 HydrophobicContact CB-CG2 3.98Å; F133-V189 HydrophobicContact CD2-CG2 3.54Å; F133-V189 HydrophobicContact CE2-CG2 4.49Å; F133-V189 HydrophobicContact CG-CG2 4.22Å
134	L	97.1	Very high	96.7	Very high	111 Å²	111	46.9 Å²	46.9	58%	0.581	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	-47.5	172.3	-62.5	179	0	0	0	111.4	D126 R132	D126-L134 PolarHBondContact O-N 2.61Å; R132-L134 PolarHBondContact O-N 2.79Å
135	R	97.1	Very high	96.7	Very high	89 Å²	89	54.4 Å²	54.4	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	148.4	-169.8	-170.8	163.6	170.7	136	4.7	111.7	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.56Å; C125-R135 WeakPolarHBondContact CA-O 3Å; D126-R135 PolarHBondContact N-O 3.11Å; D126-R135 PolarHBondContact O-N 2.99Å; F133-R135 VanDerWaalsContact CE2-C 3.44Å; F133-R135 VanDerWaalsContact CE2-O 3.23Å; F133-R135 WeakPolarHBondContact CE2-O 3.44Å; R135-Y137 HydrophobicContact CB-CE2 4.16Å; R135-Y137 VanDerWaalsContact CD-OH 3.25Å; R135-Y137 WeakPolarHBondContact CD-OH 3.44Å; R135-Y137 HydrophobicContact CG-CD2 4.42Å; R135-Y137 HydrophobicContact CG-CE1 4.4Å; R135-Y137 HydrophobicContact CG-CE2 3.76Å; R135-Y137 PolarHBondContact NE-OH 2.96Å; R135-E152 IonicContact CZ-OE1 3.75Å; R135-E152 IonicContact CZ-OE2 3.7Å; R135-E152 IonicContact NH1-OE1 3.99Å; R135-E152 PolarHBondContact NH1-OE1 3.16Å; R135-E152 IonicContact NH1-OE2 2.76Å; R135-E152 PolarHBondContact NH1-OE2 2.87Å; R135-E152 VanDerWaalsContact NH1-OE2 3.13Å; R135-E152 VanDerWaalsContact NH2-CD 3.27Å; R135-E152 IonicContact NH2-OE1 2.78Å; R135-E152 PolarHBondContact NH2-OE1 3.41Å
136	G	97.9	Very high	96.7	Very high	5 Å²	5	60.6 Å²	60.6	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.6	173.6	0	0	0	0	0	110.7	G124 F133	G124-G136 CarbonylContact O-C 3.54Å; G124-G136 WeakPolarHBondContact O-CA 3.31Å; F133-G136 VanDerWaalsContact CZ-N 3.25Å
137	Y	97.9	Very high	96.7	Very high	40 Å²	40	59.9 Å²	59.9	16%	0.157	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.2	-176.6	-59.6	-96.2	0	0	0	110.7	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.33Å; R30-Y137 PolarHBondContact NH2-OH 3.46Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.2Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 WeakPolarHBondContact CB-O 3.38Å; G124-Y137 PolarHBondContact N-O 3Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 3.3Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.29Å; D126-Y137 PolarHBondContact OD2-OH 2.83Å; R135-Y137 HydrophobicContact CB-CE2 4.16Å; R135-Y137 VanDerWaalsContact CD-OH 3.25Å; R135-Y137 WeakPolarHBondContact CD-OH 3.44Å; R135-Y137 HydrophobicContact CG-CD2 4.42Å; R135-Y137 HydrophobicContact CG-CE1 4.4Å; R135-Y137 HydrophobicContact CG-CE2 3.76Å; R135-Y137 PolarHBondContact NE-OH 2.96Å
138	R	98.2	Very high	96.8	Very high	25 Å²	25	60 Å²	60	9%	0.094	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	118	159.4	171.3	65.8	-171.4	-139.3	4.6	107.5	M121 M122 D140 A149 L150 W157 L180	M121-R138 PolarHBondContact SD-NH1 3.05Å; M121-R138 PolarHBondContact SD-NH2 3.17Å; M122-R138 CarbonylContact O-C 3.54Å; M122-R138 WeakPolarHBondContact O-CA 3.21Å; R138-D140 IonicContact CZ-OD1 3.33Å; R138-D140 VanDerWaalsContact CZ-OD1 3.31Å; R138-D140 IonicContact CZ-OD2 3.27Å; R138-D140 IonicContact NE-OD1 2.78Å; R138-D140 PolarHBondContact NE-OD1 3.29Å; R138-D140 IonicContact NE-OD2 3.88Å; R138-D140 VanDerWaalsContact NH2-CG 3.34Å; R138-D140 IonicContact NH2-OD1 2.7Å; R138-D140 PolarHBondContact NH2-OD1 2.88Å; R138-D140 VanDerWaalsContact NH2-OD1 3.13Å; R138-D140 IonicContact NH2-OD2 2.91Å; R138-D140 PolarHBondContact NH2-OD2 3.43Å; R138-A149 WeakPolarHBondContact O-CA 3.45Å; R138-L150 HydrophobicContact CB-CB 3.83Å; R138-L150 HydrophobicContact CB-CD2 4.14Å; R138-L150 PolarHBondContact O-N 3.34Å; R138-W157 HydrophobicContact CG-CH2 4.32Å; R138-W157 HydrophobicContact CG-CZ3 4.27Å; R138-L180 HydrophobicContact CB-CD1 4.3Å; R138-L180 HydrophobicContact CG-CD1 3.91Å
139	Q	98.3	Very high	97	Very high	79 Å²	79	60.5 Å²	60.5	37%	0.369	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.1	-176.1	-57.5	-171.8	78.6	0	0	109.1	M121 M122 A149	M121-Q139 CarbonylContact C-O 3.58Å; M121-Q139 WeakPolarHBondContact CA-O 3.2Å; M122-Q139 VanDerWaalsContact CE-NE2 3.31Å; M122-Q139 PolarHBondContact N-O 3.14Å; M122-Q139 PolarHBondContact O-N 2.65Å; Q139-A149 HydrophobicContact CG-CB 4.13Å
140	D	98.6	Very high	97.4	Very high	16 Å²	16	56.3 Å²	56.3	9%	0.086	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.2	-179.5	-64.3	44.2	0	0	0	108.8	Q120 R138 Y147 I148	Q120-D140 WeakPolarHBondContact O-CA 3.13Å; R138-D140 IonicContact CZ-OD1 3.33Å; R138-D140 VanDerWaalsContact CZ-OD1 3.31Å; R138-D140 IonicContact CZ-OD2 3.27Å; R138-D140 IonicContact NE-OD1 2.78Å; R138-D140 PolarHBondContact NE-OD1 3.29Å; R138-D140 IonicContact NE-OD2 3.88Å; R138-D140 VanDerWaalsContact NH2-CG 3.34Å; R138-D140 IonicContact NH2-OD1 2.7Å; R138-D140 PolarHBondContact NH2-OD1 2.88Å; R138-D140 VanDerWaalsContact NH2-OD1 3.13Å; R138-D140 IonicContact NH2-OD2 2.91Å; R138-D140 PolarHBondContact NH2-OD2 3.43Å; D140-Y147 WeakPolarHBondContact O-CA 3.19Å; D140-Y147 WeakPolarHBondContact O-CB 3.39Å; D140-Y147 PolarHBondContact O-N 3.23Å; D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 2.85Å; D140-I148 PolarHBondContact O-N 2.8Å; D140-I148 VanDerWaalsContact O-N 3.1Å
141	A	98.8	Very high	97.8	Very high	18 Å²	18	54.1 Å²	54.1	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.1	-178.4	0	0	0	0	0	110.9	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.25Å; Q120-A141 PolarHBondContact N-O 2.83Å; Q120-A141 PolarHBondContact O-N 2.86Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.26Å
142	Y	98.8	Very high	98.1	Very high	11 Å²	11	59.9 Å²	59.9	4%	0.043	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132	-179.5	-171.2	-123.2	0	0	0	111.2	L102 L105 R106 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.32Å; L105-Y142 HydrophobicContact CB-CD1 4.27Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.86Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD1 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.45Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.45Å; L105-Y142 HydrophobicContact CD1-CE2 3.79Å; L105-Y142 HydrophobicContact CD1-CG 3.79Å; L105-Y142 HydrophobicContact CG-CD2 4.48Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; R106-Y142 PolarHBondContact N-OH 2.93Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CG 4.5Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Q111-Y142 PolarHBondContact OE1-OH 3.46Å; H117-Y142 HydrophobicContact CB-CE2 3.98Å; H117-Y142 WeakPolarHBondContact CB-OH 3.26Å; T118-Y142 CarbonylContact O-C 3.5Å; T118-Y142 WeakPolarHBondContact O-CA 3.34Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; I119-Y142 HydrophobicContact CG1-CD2 3.87Å; I119-Y142 HydrophobicContact CG1-CE2 4.23Å; Y142-G144 PolarHBondContact O-N 3.43Å; Y142-G144 VanDerWaalsContact O-N 3.11Å; Y142-K145 PolarHBondContact N-O 2.92Å; Y142-K145 PolarHBondContact O-N 2.79Å
143	D	98.3	Very high	98.2	Very high	61 Å²	61	55.3 Å²	55.3	33%	0.326	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	39.4	-176.3	-66.4	-18.9	0	0	0	113.4	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.45Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.12Å; H117-D143 WeakPolarHBondContact CA-OD1 3.38Å; H117-D143 WeakPolarHBondContact CB-OD1 3.29Å; H117-D143 IonicContact CE1-OD2 3.38Å; H117-D143 IonicContact CG-OD1 3.55Å; H117-D143 IonicContact CG-OD2 2.89Å; H117-D143 IonicContact ND1-OD1 3.65Å; H117-D143 PolarHBondContact ND1-OD1 3.08Å; H117-D143 IonicContact ND1-OD2 3.04Å; H117-D143 PolarHBondContact ND1-OD2 3.49Å; T118-D143 PolarHBondContact N-OD1 3.46Å; T118-D143 PolarHBondContact O-N 3.23Å
144	G	97.5	Very high	98.2	Very high	59 Å²	59	52.8 Å²	52.8	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	13.9	178.5	0	0	0	0	0	115.7	Y142	Y142-G144 PolarHBondContact O-N 3.43Å; Y142-G144 VanDerWaalsContact O-N 3.11Å
145	K	98.5	Very high	98.3	Very high	158 Å²	158	55.5 Å²	55.5	69%	0.687	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.3	177.9	-61.4	174.7	-176.3	174.5	0	111.1	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.26Å; Y142-K145 PolarHBondContact N-O 2.92Å; Y142-K145 PolarHBondContact O-N 2.79Å; K145-Y147 PolarHBondContact O-N 3.49Å
146	D	98.7	Very high	98.3	Very high	130 Å²	130	53.2 Å²	53.2	70%	0.695	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	136.8	173.6	-56.9	-41	0	0	0	111	A160	D146-A160 HydrophobicContact CB-CB 4.49Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å
147	Y	98.8	Very high	98.4	Very high	11 Å²	11	53.5 Å²	53.5	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-61.8	179.1	179.1	-109.2	0	0	0	110.4	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.45Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.68Å; L105-Y147 VanDerWaalsContact CD2-OH 3.3Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.25Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.14Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.37Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.25Å; D140-Y147 WeakPolarHBondContact O-CA 3.19Å; D140-Y147 WeakPolarHBondContact O-CB 3.39Å; D140-Y147 PolarHBondContact O-N 3.23Å; K145-Y147 PolarHBondContact O-N 3.49Å; Y147-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 PolarHBondContact O-N 2.75Å; Y147-A163 HydrophobicContact CE2-CB 4.41Å; Y147-A163 PolarHBondContact OH-O 3.14Å; Y147-A163 VanDerWaalsContact OH-O 3.07Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 VanDerWaalsContact CE2-CA 3.46Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.39Å; Y147-T167 HydrophobicContact CE1-CG2 4.18Å; Y147-T167 WeakPolarHBondContact OH-CB 3.36Å; Y147-T167 PolarHBondContact OH-OG1 2.78Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	139.2	176.5	-163.8	174.1	0	0	0	111.2	D140 W157 T158 T167 Q168 W171	D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 2.85Å; D140-I148 PolarHBondContact O-N 2.8Å; D140-I148 VanDerWaalsContact O-N 3.1Å; I148-W157 HydrophobicContact CD1-CB 4.15Å; I148-W157 HydrophobicContact CD1-CD2 4.27Å; I148-W157 HydrophobicContact CD1-CE3 4.08Å; I148-W157 HydrophobicContact CD1-CG 4.32Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 3.98Å; I148-T158 WeakPolarHBondContact CA-O 3.3Å; I148-T158 WeakPolarHBondContact CG1-O 3.35Å; I148-T167 HydrophobicContact CD1-CG2 4.29Å; I148-Q168 HydrophobicContact CD1-CB 3.84Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.36Å; I148-W171 HydrophobicContact CG2-CE3 4.36Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.62Å
149	A	98.8	Very high	98.4	Very high	23 Å²	23	55.2 Å²	55.2	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.9	177.9	0	0	0	0	0	111.4	R138 Q139 W157 T158	R138-A149 WeakPolarHBondContact O-CA 3.45Å; Q139-A149 HydrophobicContact CG-CB 4.13Å; A149-W157 WeakPolarHBondContact O-CA 3.3Å; A149-T158 PolarHBondContact N-O 2.89Å; A149-T158 PolarHBondContact O-N 2.84Å
150	L	98.8	Very high	98.4	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.8	168	-176.4	68.7	0	0	0	108.5	R138 L154 W157 A177 L180 L184	R138-L150 HydrophobicContact CB-CB 3.83Å; R138-L150 HydrophobicContact CB-CD2 4.14Å; R138-L150 PolarHBondContact O-N 3.34Å; L150-L154 HydrophobicContact CD2-CD2 3.82Å; L150-L154 HydrophobicContact CG-CD2 4.38Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-A177 HydrophobicContact CD1-CB 3.9Å; L150-L180 HydrophobicContact CD2-CB 4.32Å; L150-L180 HydrophobicContact CD2-CD1 4.48Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å
151	N	98.6	Very high	98.4	Very high	42 Å²	42	56.4 Å²	56.4	23%	0.225	31%	0.312	C	S	.	.			trans	-74.6	165.6	-178.8	-65.7	-23.9	0	0	0	111.7	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.01Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 3.41Å; N151-S156 WeakPolarHBondContact CB-O 3.47Å; N151-S156 PolarHBondContact N-O 2.83Å; N151-S156 PolarHBondContact ND2-OG 3.07Å; N151-T158 WeakPolarHBondContact OD1-CB 3.39Å; N151-T158 PolarHBondContact OD1-N 2.78Å; N151-T158 PolarHBondContact OD1-OG1 3.12Å
152	E	97.6	Very high	98.4	Very high	137 Å²	137	61.7 Å²	61.7	64%	0.64	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.7	-177.5	-52.9	-170.3	-176	0	0	113.8	R135 L154	R135-E152 IonicContact CZ-OE1 3.75Å; R135-E152 IonicContact CZ-OE2 3.7Å; R135-E152 IonicContact NH1-OE1 3.99Å; R135-E152 PolarHBondContact NH1-OE1 3.16Å; R135-E152 IonicContact NH1-OE2 2.76Å; R135-E152 PolarHBondContact NH1-OE2 2.87Å; R135-E152 VanDerWaalsContact NH1-OE2 3.13Å; R135-E152 VanDerWaalsContact NH2-CD 3.27Å; R135-E152 IonicContact NH2-OE1 2.78Å; R135-E152 PolarHBondContact NH2-OE1 3.41Å; E152-L154 PolarHBondContact O-N 3.04Å
153	D	97.7	Very high	98.4	Very high	72 Å²	72	61.6 Å²	61.6	39%	0.385	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.6	173.7	71.2	-2.5	0	0	0	113.8	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.01Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CD 3.41Å; D153-R155 VanDerWaalsContact O-CG 3.29Å; D153-R155 WeakPolarHBondContact O-CG 3.49Å; D153-R155 PolarHBondContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.03Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 2.84Å; D153-S156 PolarHBondContact OD1-OG 2.75Å; D153-S156 WeakPolarHBondContact OD2-CB 3.31Å; D153-S156 PolarHBondContact OD2-N 2.87Å; D153-S156 PolarHBondContact OD2-OG 3.1Å
154	L	98.3	Very high	98.4	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	32%	0.322	C	S	.	.	S	Bend	trans	53.8	30	-174.6	-51.7	174.6	0	0	0	113.4	F133 L150 N151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 3.84Å; F133-L154 HydrophobicContact CZ-CD1 3.64Å; L150-L154 HydrophobicContact CD2-CD2 3.82Å; L150-L154 HydrophobicContact CG-CD2 4.38Å; N151-L154 PolarHBondContact O-N 3.41Å; E152-L154 PolarHBondContact O-N 3.04Å; L154-R181 HydrophobicContact CB-CB 4.01Å; L154-R181 HydrophobicContact CB-CG 3.74Å; L154-R181 HydrophobicContact CD1-CG 4.07Å; L154-L184 HydrophobicContact CD2-CD1 4.14Å; L154-E185 HydrophobicContact CD1-CG 4.03Å
155	R	97.8	Very high	98.4	Very high	167 Å²	167	58.4 Å²	58.4	63%	0.63	31%	0.305	S	S	*	.	S	Bend	trans	-136.9	-37.6	-173.2	-69.2	160.2	-177.2	-89.2	4.8	112.9	D153	D153-R155 WeakPolarHBondContact O-CD 3.41Å; D153-R155 VanDerWaalsContact O-CG 3.29Å; D153-R155 WeakPolarHBondContact O-CG 3.49Å; D153-R155 PolarHBondContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.03Å
156	S	98.1	Very high	98.4	Very high	41 Å²	41	53.8 Å²	53.8	29%	0.287	29%	0.287	S	S	.	.			trans	-109.4	164.6	-178.4	62.9	0	0	0	0	112.1	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.47Å; N151-S156 PolarHBondContact N-O 2.83Å; N151-S156 PolarHBondContact ND2-OG 3.07Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 2.84Å; D153-S156 PolarHBondContact OD1-OG 2.75Å; D153-S156 WeakPolarHBondContact OD2-CB 3.31Å; D153-S156 PolarHBondContact OD2-N 2.87Å; D153-S156 PolarHBondContact OD2-OG 3.1Å
157	W	98.8	Very high	98.4	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.6	-176	-62.1	95.6	0	0	0	111.2	R138 I148 A149 L150 Q168 W171 V176 A177 L180	R138-W157 HydrophobicContact CG-CH2 4.32Å; R138-W157 HydrophobicContact CG-CZ3 4.27Å; I148-W157 HydrophobicContact CD1-CB 4.15Å; I148-W157 HydrophobicContact CD1-CD2 4.27Å; I148-W157 HydrophobicContact CD1-CE3 4.08Å; I148-W157 HydrophobicContact CD1-CG 4.32Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 3.98Å; A149-W157 WeakPolarHBondContact O-CA 3.3Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; W157-Q168 HydrophobicContact CB-CG 4.09Å; W157-Q168 PolarHBondContact O-NE2 2.83Å; W157-W171 HydrophobicContact CD2-CE3 4.14Å; W157-W171 AromaticContact CE2-CE3 3.95Å; W157-W171 AromaticContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 4.1Å; W157-W171 HydrophobicContact CH2-CD2 4.43Å; W157-W171 AromaticContact CH2-CE3 3.33Å; W157-W171 HydrophobicContact CH2-CE3 3.33Å; W157-W171 AromaticContact CH2-CZ3 3.47Å; W157-W171 HydrophobicContact CH2-CZ3 3.47Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.47Å; W157-W171 HydrophobicContact CZ2-CB 4.46Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CZ3 4.2Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 AromaticContact CZ3-CZ3 3.43Å; W157-W171 HydrophobicContact CZ3-CZ3 3.43Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.43Å; W157-V176 HydrophobicContact CZ2-CB 4.32Å; W157-V176 HydrophobicContact CZ2-CG1 4.16Å; W157-A177 HydrophobicContact CZ2-CB 4.21Å; W157-L180 HydrophobicContact CH2-CD1 3.46Å; W157-L180 VanDerWaalsContact CH2-CD1 3.46Å; W157-L180 HydrophobicContact CZ2-CD1 3.95Å
158	T	98.8	Very high	98.4	Very high	79 Å²	79	49.7 Å²	49.7	49%	0.485	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117	164.6	-66	0	0	0	0	108.6	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.3Å; I148-T158 WeakPolarHBondContact CG1-O 3.35Å; A149-T158 PolarHBondContact N-O 2.89Å; A149-T158 PolarHBondContact O-N 2.84Å; N151-T158 WeakPolarHBondContact OD1-CB 3.39Å; N151-T158 PolarHBondContact OD1-N 2.78Å; N151-T158 PolarHBondContact OD1-OG1 3.12Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	56.3 Å²	56.3	19%	0.19	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.4	175.6	0	0	0	0	0	110.2	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.66Å; A159-Q165 HydrophobicContact CB-CG 4.09Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A159-Q168 VanDerWaalsContact CB-OE1 3.32Å
160	A	98.5	Very high	98.4	Very high	63 Å²	63	60.7 Å²	60.7	52%	0.521	30%	0.304	S	S	.	.	S	Bend	trans	-72.2	-29.9	-175.2	0	0	0	0	0	113.7	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.49Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 PolarHBondContact O-N 2.75Å
161	D	98.3	Very high	98.4	Very high	56 Å²	56	62.5 Å²	62.5	30%	0.299	31%	0.31	S	S	.	.	S	Bend	trans	-150.3	-174.3	-178.2	71	29.4	0	0	0	114.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 3.44Å; Y109-D161 PolarHBondContact OH-OD2 2.98Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.35Å; D161-A163 WeakPolarHBondContact OD1-CA 3.41Å; D161-A163 WeakPolarHBondContact OD1-CB 3.37Å; D161-A163 PolarHBondContact OD1-N 2.93Å; D161-A164 PolarHBondContact O-N 2.86Å; D161-A164 PolarHBondContact OD1-N 2.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.17Å; D161-Q165 PolarHBondContact O-N 2.9Å
162	M	98.2	Very high	98.4	Very high	129 Å²	129	64.7 Å²	64.7	64%	0.635	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.7	-179.2	-63.9	-57.4	-55.8	0	0	114.5	Q165	M162-Q165 PolarHBondContact SD-NE2 3.15Å; M162-Q165 VanDerWaalsContact SD-NE2 3.45Å
163	A	98.1	Very high	98.4	Very high	9 Å²	9	62.3 Å²	62.3	7%	0.074	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-39.4	174.1	0	0	0	0	0	110.7	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.21Å; Y108-A163 HydrophobicContact CG-CB 4.47Å; Y109-A163 HydrophobicContact CD1-CB 4.34Å; Y109-A163 HydrophobicContact CE1-CB 3.77Å; Y109-A163 HydrophobicContact CE2-CB 4.09Å; Y147-A163 HydrophobicContact CE2-CB 4.41Å; Y147-A163 PolarHBondContact OH-O 3.14Å; Y147-A163 VanDerWaalsContact OH-O 3.07Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.35Å; D161-A163 WeakPolarHBondContact OD1-CA 3.41Å; D161-A163 WeakPolarHBondContact OD1-CB 3.37Å; D161-A163 PolarHBondContact OD1-N 2.93Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.81Å; A163-I166 VanDerWaalsContact O-CB 3.31Å; A163-I166 WeakPolarHBondContact O-CB 3.26Å; A163-I166 PolarHBondContact O-N 2.62Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-37.5	171.7	0	0	0	0	0	112.6	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 VanDerWaalsContact CE2-CA 3.46Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.39Å; A159-A164 HydrophobicContact CB-CB 3.66Å; D161-A164 PolarHBondContact O-N 2.86Å; D161-A164 PolarHBondContact OD1-N 2.98Å; A164-I166 PolarHBondContact O-N 3.34Å; A164-I166 VanDerWaalsContact O-N 3.17Å; A164-T167 PolarHBondContact O-N 2.82Å; A164-Q168 PolarHBondContact O-N 2.86Å
165	Q	98.7	Very high	98.4	Very high	54 Å²	54	68.6 Å²	68.6	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-58.7	-25.4	172.4	-73.3	175	26.3	0	0	113.8	A159 D161 M162 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.09Å; D161-Q165 WeakPolarHBondContact O-CG 3.17Å; D161-Q165 PolarHBondContact O-N 2.9Å; M162-Q165 PolarHBondContact SD-NE2 3.15Å; M162-Q165 VanDerWaalsContact SD-NE2 3.45Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.81Å; Q165-R169 WeakPolarHBondContact O-CD 3.45Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.47Å; Q165-R169 PolarHBondContact O-N 3.17Å; Q165-R169 VanDerWaalsContact O-N 3.16Å
166	I	98.5	Very high	98.4	Very high	61 Å²	61	62 Å²	62	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-71.6	-39.7	175	-52.6	172.4	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.15Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CD1 4.33Å; Y108-I166 HydrophobicContact CE1-CG2 4.03Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.19Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; A163-I166 VanDerWaalsContact O-CB 3.31Å; A163-I166 WeakPolarHBondContact O-CB 3.26Å; A163-I166 PolarHBondContact O-N 2.62Å; A164-I166 PolarHBondContact O-N 3.34Å; A164-I166 VanDerWaalsContact O-N 3.17Å; I166-K170 WeakPolarHBondContact O-CG 3.33Å; I166-K170 PolarHBondContact O-N 3.22Å
167	T	98.4	Very high	98.4	Very high	15 Å²	15	60.4 Å²	60.4	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-69.3	-44.2	173.8	-67.2	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.18Å; Y147-T167 WeakPolarHBondContact OH-CB 3.36Å; Y147-T167 PolarHBondContact OH-OG1 2.78Å; I148-T167 HydrophobicContact CD1-CG2 4.29Å; A164-T167 PolarHBondContact O-N 2.82Å; T167-R169 PolarHBondContact O-N 3.01Å; T167-K170 WeakPolarHBondContact O-CB 3.48Å; T167-K170 PolarHBondContact O-N 3.47Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.7Å; T167-W171 HydrophobicContact CG2-CE3 4.12Å; T167-W171 HydrophobicContact CG2-CG 4.13Å; T167-W171 HydrophobicContact CG2-CH2 4.29Å; T167-W171 HydrophobicContact CG2-CZ2 3.88Å; T167-W171 HydrophobicContact CG2-CZ3 4.39Å; T167-W171 WeakPolarHBondContact O-CB 3.26Å; T167-W171 PolarHBondContact O-N 2.78Å
168	Q	98.7	Very high	98.4	Very high	39 Å²	39	65.3 Å²	65.3	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-50.8	-56.2	175.2	175.5	171	9.1	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.84Å; W157-Q168 HydrophobicContact CB-CG 4.09Å; W157-Q168 PolarHBondContact O-NE2 2.83Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A159-Q168 VanDerWaalsContact CB-OE1 3.32Å; A164-Q168 PolarHBondContact O-N 2.86Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.5Å; Q168-W171 PolarHBondContact O-N 2.9Å; Q168-E172 VanDerWaalsContact CG-CD 3.44Å; Q168-E172 HydrophobicContact CG-CG 4.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.48Å; Q168-E172 PolarHBondContact NE2-OE1 3.02Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.37Å
169	R	98.7	Very high	98.3	Very high	143 Å²	143	68.1 Å²	68.1	54%	0.54	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-35.3	-179.1	-67.7	166.7	-165.8	143.6	10.9	112.7	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CD 3.45Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.47Å; Q165-R169 PolarHBondContact O-N 3.17Å; Q165-R169 VanDerWaalsContact O-N 3.16Å; T167-R169 PolarHBondContact O-N 3.01Å; R169-A173 VanDerWaalsContact O-CB 3.28Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 3.18Å; R169-A173 VanDerWaalsContact O-N 3.12Å
170	K	98.3	Very high	98.3	Very high	115 Å²	115	68.3 Å²	68.3	50%	0.5	35%	0.35	S	S	.	.	H	α-helix	trans	-68.3	-43.3	174.5	-73.7	173.8	175.7	-178	0	111.6	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.12Å; I166-K170 WeakPolarHBondContact O-CG 3.33Å; I166-K170 PolarHBondContact O-N 3.22Å; T167-K170 WeakPolarHBondContact O-CB 3.48Å; T167-K170 PolarHBondContact O-N 3.47Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.5Å; K170-A174 VanDerWaalsContact O-CB 3.24Å; K170-A174 WeakPolarHBondContact O-CB 3.19Å; K170-A174 PolarHBondContact O-N 2.9Å
171	W	98.4	Very high	98.3	Very high	51 Å²	51	69 Å²	69	19%	0.193	34%	0.339	C	S	.	.	H	α-helix	trans	-73.3	-33.1	-178.8	-76	6.2	0	0	0	113.2	I148 W157 T167 Q168 A174 R175 V176	I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.36Å; I148-W171 HydrophobicContact CG2-CE3 4.36Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.62Å; W157-W171 HydrophobicContact CD2-CE3 4.14Å; W157-W171 AromaticContact CE2-CE3 3.95Å; W157-W171 AromaticContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CE3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 4.1Å; W157-W171 HydrophobicContact CH2-CD2 4.43Å; W157-W171 AromaticContact CH2-CE3 3.33Å; W157-W171 HydrophobicContact CH2-CE3 3.33Å; W157-W171 AromaticContact CH2-CZ3 3.47Å; W157-W171 HydrophobicContact CH2-CZ3 3.47Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.47Å; W157-W171 HydrophobicContact CZ2-CB 4.46Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CZ3 4.2Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 AromaticContact CZ3-CZ3 3.43Å; W157-W171 HydrophobicContact CZ3-CZ3 3.43Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.43Å; T167-W171 HydrophobicContact CG2-CD2 3.7Å; T167-W171 HydrophobicContact CG2-CE3 4.12Å; T167-W171 HydrophobicContact CG2-CG 4.13Å; T167-W171 HydrophobicContact CG2-CH2 4.29Å; T167-W171 HydrophobicContact CG2-CZ2 3.88Å; T167-W171 HydrophobicContact CG2-CZ3 4.39Å; T167-W171 WeakPolarHBondContact O-CB 3.26Å; T167-W171 PolarHBondContact O-N 2.78Å; Q168-W171 PolarHBondContact O-N 2.9Å; W171-A174 CarbonylContact O-C 3.57Å; W171-R175 PolarHBondContact O-N 3.47Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.94Å; W171-V176 HydrophobicContact CD2-CG1 4.38Å; W171-V176 HydrophobicContact CG-CB 4.14Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.9Å; W171-V176 PolarHBondContact O-N 2.83Å
172	E	98.6	Very high	98.3	Very high	88 Å²	88	69.6 Å²	69.6	41%	0.411	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-50.3	170.7	-71.4	168	166.3	0	0	110.9	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.44Å; Q168-E172 HydrophobicContact CG-CG 4.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.48Å; Q168-E172 PolarHBondContact NE2-OE1 3.02Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.37Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 3.21Å
173	A	98.4	Very high	98.3	Very high	87 Å²	87	66.4 Å²	66.4	72%	0.719	33%	0.333	S	S	*	.	H	α-helix	trans	-60.8	-34.5	176.6	0	0	0	0	0	112.9	R169	R169-A173 VanDerWaalsContact O-CB 3.28Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 3.18Å; R169-A173 VanDerWaalsContact O-N 3.12Å
174	A	98.2	Very high	98.3	Very high	59 Å²	59	66 Å²	66	49%	0.488	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.8	175.8	0	0	0	0	0	114.5	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.24Å; K170-A174 WeakPolarHBondContact O-CB 3.19Å; K170-A174 PolarHBondContact O-N 2.9Å; W171-A174 CarbonylContact O-C 3.57Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.86Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 3.35Å
175	R	97.9	Very high	98.3	Very high	151 Å²	151	69.5 Å²	69.5	57%	0.57	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	33.2	178.8	-65	165.3	163.5	-100.7	-6.2	114.7	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.47Å; E172-R175 PolarHBondContact O-N 3.21Å; R175-A177 PolarHBondContact O-N 3.01Å; R175-A177 VanDerWaalsContact O-N 3.15Å; R175-E178 HydrophobicContact CB-CB 4.47Å; R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE2 3.48Å; R175-E178 IonicContact CZ-OE1 3.5Å; R175-E178 IonicContact CZ-OE2 3.25Å; R175-E178 IonicContact NE-OE2 2.86Å; R175-E178 IonicContact NH1-OE1 3.39Å; R175-E178 PolarHBondContact NH1-OE1 2.76Å; R175-E178 IonicContact NH1-OE2 2.75Å; R175-E178 PolarHBondContact NH1-OE2 3.5Å; R175-E178 WeakPolarHBondContact O-CB 3.37Å; R175-E178 PolarHBondContact O-N 2.91Å
176	V	98.3	Very high	98.2	Very high	29 Å²	29	68 Å²	68	18%	0.176	34%	0.344	C	S	.	.	H	α-helix	trans	-58.4	-33.5	-174.9	177.6	0	0	0	0	112.3	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.32Å; W157-V176 HydrophobicContact CZ2-CG1 4.16Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.94Å; W171-V176 HydrophobicContact CD2-CG1 4.38Å; W171-V176 HydrophobicContact CG-CB 4.14Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.9Å; W171-V176 PolarHBondContact O-N 2.83Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 3.35Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 3.32Å; V176-Q179 PolarHBondContact O-N 3.43Å; V176-L180 HydrophobicContact CG1-CD1 3.86Å; V176-L180 HydrophobicContact CG1-CG 4.26Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 3.31Å
177	A	98.4	Very high	98.2	Very high	7 Å²	7	69.5 Å²	69.5	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-35.6	175.1	0	0	0	0	0	113.1	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.9Å; W157-A177 HydrophobicContact CZ2-CB 4.21Å; R175-A177 PolarHBondContact O-N 3.01Å; R175-A177 VanDerWaalsContact O-N 3.15Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 2.94Å; A177-L180 PolarHBondContact O-N 2.71Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 2.78Å
178	E	97.9	Very high	98.2	Very high	113 Å²	113	68.8 Å²	68.8	53%	0.528	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-38.1	177.8	-60.8	-177.3	163.2	0	0	111.2	R175 V176 A182	R175-E178 HydrophobicContact CB-CB 4.47Å; R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE2 3.48Å; R175-E178 IonicContact CZ-OE1 3.5Å; R175-E178 IonicContact CZ-OE2 3.25Å; R175-E178 IonicContact NE-OE2 2.86Å; R175-E178 IonicContact NH1-OE1 3.39Å; R175-E178 PolarHBondContact NH1-OE1 2.76Å; R175-E178 IonicContact NH1-OE2 2.75Å; R175-E178 PolarHBondContact NH1-OE2 3.5Å; R175-E178 WeakPolarHBondContact O-CB 3.37Å; R175-E178 PolarHBondContact O-N 2.91Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 3.32Å; E178-A182 PolarHBondContact O-N 2.67Å
179	Q	96.8	Very high	98.2	Very high	138 Å²	138	67 Å²	67	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-71.8	-45.9	177.4	-59.5	-179.8	4.3	0	0	111.9	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 3.43Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 2.94Å; Q179-A182 PolarHBondContact O-N 3.17Å; Q179-Y183 PolarHBondContact O-N 2.83Å; Q179-Y183 VanDerWaalsContact O-N 3.14Å
180	L	97.9	Very high	98.2	Very high	28 Å²	28	64.5 Å²	64.5	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-42.9	176.9	-73.9	169.9	0	0	0	111.5	R138 L150 W157 V176 A177 A182 Y183 L184	R138-L180 HydrophobicContact CB-CD1 4.3Å; R138-L180 HydrophobicContact CG-CD1 3.91Å; L150-L180 HydrophobicContact CD2-CB 4.32Å; L150-L180 HydrophobicContact CD2-CD1 4.48Å; W157-L180 HydrophobicContact CH2-CD1 3.46Å; W157-L180 VanDerWaalsContact CH2-CD1 3.46Å; W157-L180 HydrophobicContact CZ2-CD1 3.95Å; V176-L180 HydrophobicContact CG1-CD1 3.86Å; V176-L180 HydrophobicContact CG1-CG 4.26Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 3.31Å; A177-L180 PolarHBondContact O-N 2.71Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.12Å; L180-Y183 PolarHBondContact O-N 3.04Å; L180-L184 WeakPolarHBondContact O-CB 3.41Å; L180-L184 WeakPolarHBondContact O-CG 3.23Å; L180-L184 PolarHBondContact O-N 3.03Å
181	R	98.4	Very high	98.1	Very high	77 Å²	77	59.7 Å²	59.7	29%	0.291	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-43.8	176.7	-174.2	171.8	179.5	-105.1	-18.3	111.9	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.01Å; L154-R181 HydrophobicContact CB-CG 3.74Å; L154-R181 HydrophobicContact CD1-CG 4.07Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 2.78Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 3.42Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 2.7Å; R181-E185 IonicContact CZ-OE2 3.15Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 2.92Å; R181-E185 PolarHBondContact NE-OE1 2.9Å; R181-E185 IonicContact NE-OE2 3.06Å; R181-E185 PolarHBondContact NE-OE2 2.82Å; R181-E185 IonicContact NH1-OE2 3.9Å; R181-E185 IonicContact NH2-OE1 2.8Å; R181-E185 PolarHBondContact NH2-OE1 3Å; R181-E185 IonicContact NH2-OE2 2.91Å; R181-E185 PolarHBondContact NH2-OE2 3.18Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.29Å; R181-E185 PolarHBondContact O-N 2.94Å
182	A	98.3	Very high	98.1	Very high	68 Å²	68	57.3 Å²	57.3	56%	0.562	32%	0.315	S	S	*	.	H	α-helix	trans	-62.5	-36.9	176.1	0	0	0	0	0	113.1	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 2.67Å; Q179-A182 PolarHBondContact O-N 3.17Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.12Å; A182-G186 PolarHBondContact O-N 2.81Å
183	Y	98.1	Very high	98	Very high	63 Å²	63	58.2 Å²	58.2	25%	0.247	32%	0.315	C	S	.	.	I	π-helix	trans	-68.9	-45.4	172.4	172.1	-95.5	0	0	0	112.3	Y123 Q179 L180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.81Å; Y123-Y183 HydrophobicContact CE2-CE1 3.81Å; Q179-Y183 PolarHBondContact O-N 2.83Å; Q179-Y183 VanDerWaalsContact O-N 3.14Å; L180-Y183 PolarHBondContact O-N 3.04Å; R181-Y183 VanDerWaalsContact C-N 3.33Å; R181-Y183 PolarHBondContact O-N 2.86Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-T187 HydrophobicContact CD2-CG2 4.07Å; Y183-T187 HydrophobicContact CE2-CG2 3.9Å; Y183-T187 PolarHBondContact O-N 3.23Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.32Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.36Å; Y183-C188 PolarHBondContact O-N 3.03Å
184	L	98.6	Very high	98	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.303	C	S	.	.	I	π-helix	trans	-71.6	-41.9	-173.7	-71.4	173.6	0	0	0	113.1	G124 F133 L150 L154 L180 R181	G124-L184 VanDerWaalsContact O-CD2 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.41Å; F133-L184 HydrophobicContact CE2-CB 4.49Å; F133-L184 VanDerWaalsContact CE2-O 3.29Å; F133-L184 WeakPolarHBondContact CE2-O 3.13Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å; L154-L184 HydrophobicContact CD2-CD1 4.14Å; L180-L184 WeakPolarHBondContact O-CB 3.41Å; L180-L184 WeakPolarHBondContact O-CG 3.23Å; L180-L184 PolarHBondContact O-N 3.03Å; R181-L184 PolarHBondContact O-N 3.42Å
185	E	98.3	Very high	98	Very high	73 Å²	73	57.5 Å²	57.5	34%	0.341	28%	0.281	S	S	.	.	I	π-helix	trans	-78.4	-20.5	177.8	-64.9	-178.5	161.9	0	0	112.8	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.24Å; F133-E185 HydrophobicContact CE1-CG 3.93Å; F133-E185 HydrophobicContact CE2-CG 4.49Å; F133-E185 HydrophobicContact CZ-CG 4.04Å; L154-E185 HydrophobicContact CD1-CG 4.03Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 2.7Å; R181-E185 IonicContact CZ-OE2 3.15Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 2.92Å; R181-E185 PolarHBondContact NE-OE1 2.9Å; R181-E185 IonicContact NE-OE2 3.06Å; R181-E185 PolarHBondContact NE-OE2 2.82Å; R181-E185 IonicContact NH1-OE2 3.9Å; R181-E185 IonicContact NH2-OE1 2.8Å; R181-E185 PolarHBondContact NH2-OE1 3Å; R181-E185 IonicContact NH2-OE2 2.91Å; R181-E185 PolarHBondContact NH2-OE2 3.18Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.29Å; R181-E185 PolarHBondContact O-N 2.94Å
186	G	98.1	Very high	97.9	Very high	21 Å²	21	51 Å²	51	22%	0.216	26%	0.258	C	S	.	.	I	π-helix	trans	-114.1	-93.2	-176.9	0	0	0	0	0	113.4	A182 Y183 C188 V189 D190	A182-G186 PolarHBondContact O-N 2.81Å; Y183-G186 CarbonylContact O-C 3.57Å; G186-C188 PolarHBondContact O-N 2.87Å; G186-C188 VanDerWaalsContact O-N 3.08Å; G186-V189 WeakPolarHBondContact O-CB 3.47Å; G186-V189 PolarHBondContact O-N 2.9Å; G186-D190 PolarHBondContact O-N 3.33Å
187	T	97.8	Very high	97.8	Very high	93 Å²	93	55 Å²	55	57%	0.571	27%	0.274	S	S	*	.	I	π-helix	trans	-52.9	-35.5	-170.8	-50.1	0	0	0	0	114.3	Y183 G191	Y183-T187 HydrophobicContact CD2-CG2 4.07Å; Y183-T187 HydrophobicContact CE2-CG2 3.9Å; Y183-T187 PolarHBondContact O-N 3.23Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; T187-G191 PolarHBondContact O-N 3.37Å
188	C	98.4	Very high	97.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-48	175.7	-173.8	0	0	0	0	111.5	M29 C125 Y183 G186 G191 L192	M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.1Å; M29-C188 VanDerWaalsContact CE-SG 3.53Å; C125-C188 HydrophobicContact CB-CB 3.87Å; C125-C188 WeakPolarHBondContact CB-SG 3.44Å; C125-C188 PolarHBondContact N-SG 3.25Å; C125-C188 WeakPolarHBondContact SG-CB 3.16Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.87Å; Y183-C188 HydrophobicContact CD1-CB 4.32Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.36Å; Y183-C188 PolarHBondContact O-N 3.03Å; G186-C188 PolarHBondContact O-N 2.87Å; G186-C188 VanDerWaalsContact O-N 3.08Å; C188-G191 PolarHBondContact O-N 2.95Å; C188-L192 WeakPolarHBondContact O-CB 3.34Å; C188-L192 PolarHBondContact O-N 2.8Å
189	V	98.4	Very high	97.6	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-45.6	178.8	171.3	0	0	0	0	111.4	V127 F133 G186 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.48Å; V127-V189 HydrophobicContact CG1-CG1 4.03Å; V127-V189 HydrophobicContact CG1-CG2 4.1Å; F133-V189 HydrophobicContact CB-CG2 3.98Å; F133-V189 HydrophobicContact CD2-CG2 3.54Å; F133-V189 HydrophobicContact CE2-CG2 4.49Å; F133-V189 HydrophobicContact CG-CG2 4.22Å; G186-V189 WeakPolarHBondContact O-CB 3.47Å; G186-V189 PolarHBondContact O-N 2.9Å; V189-L192 PolarHBondContact O-N 3.1Å; V189-R193 WeakPolarHBondContact O-CB 3.28Å; V189-R193 VanDerWaalsContact O-CG 3.26Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 2.71Å
190	D	98.1	Very high	97.5	Very high	89 Å²	89	49.3 Å²	49.3	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-69.6	-35.1	-179.8	-66.9	-32.6	0	0	0	112.2	G186 R193 R194	G186-D190 PolarHBondContact O-N 3.33Å; D190-R193 IonicContact OD1-CZ 3.57Å; D190-R193 IonicContact OD1-NH1 2.76Å; D190-R193 PolarHBondContact OD1-NH1 3.13Å; D190-R194 WeakPolarHBondContact O-CB 3.34Å; D190-R194 PolarHBondContact O-N 2.74Å; D190-R194 VanDerWaalsContact O-N 3.09Å
191	G	97.4	Very high	97.2	Very high	15 Å²	15	56.6 Å²	56.6	16%	0.155	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-50.2	170.1	0	0	0	0	0	112.3	T187 C188 R193 R194 Y195	T187-G191 PolarHBondContact O-N 3.37Å; C188-G191 PolarHBondContact O-N 2.95Å; G191-R193 PolarHBondContact O-N 2.92Å; G191-R194 PolarHBondContact O-N 3.13Å; G191-Y195 VanDerWaalsContact O-CD2 3.25Å; G191-Y195 WeakPolarHBondContact O-CD2 3.22Å; G191-Y195 PolarHBondContact O-N 2.68Å
192	L	98.3	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-47.6	178.1	174.3	53.5	0	0	0	111.8	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.01Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.16Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V127-L192 HydrophobicContact CB-CD2 4.43Å; V127-L192 HydrophobicContact CG1-CD2 4.04Å; V127-L192 HydrophobicContact CG2-CD2 3.68Å; V127-L192 HydrophobicContact CG2-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.34Å; C188-L192 PolarHBondContact O-N 2.8Å; V189-L192 PolarHBondContact O-N 3.1Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 2.83Å; L192-Y195 PolarHBondContact O-N 2.95Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 3.9Å; L192-L196 HydrophobicContact CG-CG 4.42Å; L192-L196 WeakPolarHBondContact O-CB 3.22Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 2.83Å
193	R	97.2	Very high	96.6	Very high	107 Å²	107	52 Å²	52	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-55.2	-45.8	174.1	-73	166.6	178.8	164.9	-5	112.3	G131 V189 D190 G191 L196 E197	G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.99Å; G131-R193 PolarHBondContact O-NH2 2.86Å; V189-R193 WeakPolarHBondContact O-CB 3.28Å; V189-R193 VanDerWaalsContact O-CG 3.26Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 2.71Å; D190-R193 IonicContact OD1-CZ 3.57Å; D190-R193 IonicContact OD1-NH1 2.76Å; D190-R193 PolarHBondContact OD1-NH1 3.13Å; G191-R193 PolarHBondContact O-N 2.92Å; R193-L196 PolarHBondContact O-N 2.76Å; R193-E197 PolarHBondContact O-N 3.4Å; R193-E197 VanDerWaalsContact O-N 3.17Å
194	R	97	Very high	96.3	Very high	121 Å²	121	53.1 Å²	53.1	46%	0.457	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-42	178.5	-174.9	175	178.6	-133.6	-9.6	111.5	E79 D190 G191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-CZ 3.48Å; E79-R194 VanDerWaalsContact CD-NH2 3.26Å; E79-R194 IonicContact OE1-CZ 3.62Å; E79-R194 IonicContact OE1-NE 3.43Å; E79-R194 IonicContact OE1-NH1 3.69Å; E79-R194 PolarHBondContact OE1-NH1 2.86Å; E79-R194 IonicContact OE1-NH2 2.68Å; E79-R194 PolarHBondContact OE1-NH2 2.92Å; E79-R194 VanDerWaalsContact OE1-NH2 3.11Å; E79-R194 IonicContact OE2-CZ 3.8Å; E79-R194 IonicContact OE2-NH1 2.76Å; E79-R194 PolarHBondContact OE2-NH1 3.01Å; E79-R194 IonicContact OE2-NH2 3.81Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; D190-R194 WeakPolarHBondContact O-CB 3.34Å; D190-R194 PolarHBondContact O-N 2.74Å; D190-R194 VanDerWaalsContact O-N 3.09Å; G191-R194 PolarHBondContact O-N 3.13Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 2.83Å; R194-E197 PolarHBondContact O-N 3.04Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 PolarHBondContact O-N 3.13Å; R194-N198 PolarHBondContact O-OD1 3.11Å
195	Y	97.6	Very high	96	Very high	11 Å²	11	56.6 Å²	56.6	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-68.5	-38	177.6	-59.9	-25.5	0	0	0	112.7	M29 V52 F57 W75 I76 Y83 G191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; F57-Y195 HydrophobicContact CD2-CE2 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.05Å; F57-Y195 AromaticContact CE2-CE2 3.56Å; F57-Y195 HydrophobicContact CE2-CE2 3.56Å; F57-Y195 AromaticContact CE2-CZ 3.98Å; F57-Y195 HydrophobicContact CZ-CD2 4.09Å; F57-Y195 AromaticContact CZ-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CE2 3.71Å; W75-Y195 HydrophobicContact CH2-CG 4.21Å; W75-Y195 AromaticContact CZ3-CD1 3.88Å; W75-Y195 HydrophobicContact CZ3-CD1 3.88Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.67Å; W75-Y195 HydrophobicContact CZ3-CG 3.67Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 3.36Å; G191-Y195 VanDerWaalsContact O-CD2 3.25Å; G191-Y195 WeakPolarHBondContact O-CD2 3.22Å; G191-Y195 PolarHBondContact O-N 2.68Å; L192-Y195 PolarHBondContact O-N 2.95Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.81Å; Y195-N198 PolarHBondContact O-N 3.12Å; Y195-G199 WeakPolarHBondContact O-CA 3.45Å; Y195-G199 PolarHBondContact O-N 2.99Å; Y195-L203 WeakPolarHBondContact O-CD1 3.21Å
196	L	96.6	Very high	95.7	Very high	14 Å²	14	56 Å²	56	7%	0.073	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-36.1	175.5	-72.4	167.5	0	0	0	112.8	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; V127-L196 HydrophobicContact CG2-CD1 4.47Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 3.9Å; L192-L196 HydrophobicContact CG-CG 4.42Å; L192-L196 WeakPolarHBondContact O-CB 3.22Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 2.83Å; R193-L196 PolarHBondContact O-N 2.76Å; L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.03Å; L196-K200 PolarHBondContact O-N 2.94Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 2.69Å
197	E	96.1	Very high	95.6	Very high	112 Å²	112	57.3 Å²	57.3	52%	0.523	28%	0.278	S	S	.	.	H	α-helix	trans	-78.5	-43.8	173.8	-166.3	63.3	-161.3	0	0	111.6	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.4Å; R193-E197 VanDerWaalsContact O-N 3.17Å; R194-E197 PolarHBondContact O-N 3.04Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.81Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 2.82Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 2.93Å; E197-K200 IonicContact OE1-NZ 2.78Å; E197-K200 PolarHBondContact OE1-NZ 3.27Å; E197-K200 IonicContact OE2-NZ 3.61Å; E197-K200 PolarHBondContact OE2-NZ 3.25Å
198	N	96.8	Very high	95.6	Very high	48 Å²	48	55 Å²	55	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-56.7	-39.7	175.4	-78.1	5.7	0	0	0	112.7	W75 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.35Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 PolarHBondContact O-N 3.13Å; R194-N198 PolarHBondContact O-OD1 3.11Å; Y195-N198 PolarHBondContact O-N 3.12Å
199	G	95.9	Very high	95.6	Very high	4 Å²	4	55.4 Å²	55.4	4%	0.041	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	16.8	-173.8	0	0	0	0	0	114.5	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.46Å; Y195-G199 WeakPolarHBondContact O-CA 3.45Å; Y195-G199 PolarHBondContact O-N 2.99Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 2.82Å; G199-E201 VanDerWaalsContact C-N 3.35Å; G199-E201 PolarHBondContact O-N 2.84Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 WeakPolarHBondContact O-CB 3.41Å; G199-T202 PolarHBondContact O-N 3.34Å; G199-L203 PolarHBondContact O-N 2.93Å
200	K	93.8	Very high	95.5	Very high	88 Å²	88	61.7 Å²	61.7	38%	0.383	30%	0.299	S	S	.	.	H	α-helix	trans	-45.8	-48.6	-170.2	-168.9	168.5	-157.5	147.9	0	115	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.03Å; L196-K200 PolarHBondContact O-N 2.94Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 2.93Å; E197-K200 IonicContact OE1-NZ 2.78Å; E197-K200 PolarHBondContact OE1-NZ 3.27Å; E197-K200 IonicContact OE2-NZ 3.61Å; E197-K200 PolarHBondContact OE2-NZ 3.25Å; K200-T202 PolarHBondContact O-N 2.88Å; K200-T202 VanDerWaalsContact O-N 3.15Å; K200-Q204 HydrophobicContact CG-CB 4.44Å; K200-Q204 HydrophobicContact CG-CG 4.45Å; K200-Q204 WeakPolarHBondContact O-CB 3.02Å; K200-Q204 PolarHBondContact O-N 2.91Å
201	E	92.3	Very high	95.5	Very high	181 Å²	181	59.2 Å²	59.2	85%	0.846	29%	0.286	S	S	*	.	H	α-helix	trans	-64.4	-16.2	179.4	-57.9	-175.2	156.1	0	0	114.1	G199 R205	G199-E201 VanDerWaalsContact C-N 3.35Å; G199-E201 PolarHBondContact O-N 2.84Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å
202	T	92	Very high	95.4	Very high	44 Å²	44	62.2 Å²	62.2	27%	0.27	30%	0.296	S	S	.	.	H	α-helix	trans	-106.5	-43.3	177.5	-61.2	0	0	0	0	112.4	T55 G199 K200	T55-T202 HydrophobicContact CG2-CG2 4.42Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 WeakPolarHBondContact O-CB 3.41Å; G199-T202 PolarHBondContact O-N 3.34Å; K200-T202 PolarHBondContact O-N 2.88Å; K200-T202 VanDerWaalsContact O-N 3.15Å
203	L	92.8	Very high	95.2	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-89.4	-31	-170.2	-61.3	173.2	0	0	0	113.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.3Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; T55-L203 HydrophobicContact CG2-CD2 3.91Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.19Å; W75-L203 HydrophobicContact CZ2-CD1 3.71Å; W75-L203 HydrophobicContact CZ2-CD2 3.97Å; W75-L203 HydrophobicContact CZ2-CG 4.22Å; Y195-L203 WeakPolarHBondContact O-CD1 3.21Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 PolarHBondContact O-N 2.93Å
204	Q	91	Very high	95.1	Very high	86 Å²	86	60.5 Å²	60.5	40%	0.402	30%	0.296	S	S	.	.	S	Bend	trans	-103.3	19.3	178.2	-56.6	177.6	33.6	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.69Å; K200-Q204 HydrophobicContact CG-CB 4.44Å; K200-Q204 HydrophobicContact CG-CG 4.45Å; K200-Q204 WeakPolarHBondContact O-CB 3.02Å; K200-Q204 PolarHBondContact O-N 2.91Å
205	R	92.3	Very high	95	Very high	75 Å²	75	57.7 Å²	57.7	28%	0.283	29%	0.288	S	S	.	.			trans	-91.7	154.5	171.5	89.6	-176.5	-165.1	-116.8	-11.8	109.8	E201 D207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.32Å; R205-D207 IonicContact CZ-OD2 2.74Å; R205-D207 VanDerWaalsContact CZ-OD2 3.25Å; R205-D207 IonicContact NE-OD1 2.74Å; R205-D207 IonicContact NE-OD2 3.92Å; R205-D207 PolarHBondContact NE-OD2 2.75Å; R205-D207 IonicContact NH2-OD2 3.7Å; R205-D207 PolarHBondContact NH2-OD2 3.34Å; R205-Y233 HydrophobicContact CG-CD1 4.24Å; R205-Y233 WeakPolarHBondContact O-CD1 3.39Å
206	T	93	Very high	94.7	Very high	59 Å²	59	61.3 Å²	61.3	36%	0.362	31%	0.305	S	S	.	.			trans	-133.1	107.6	176.3	-29.8	0	0	0	0	109.4	Y233 E288 G289	T206-Y233 CarbonylContact C-O 3.58Å; T206-Y233 WeakPolarHBondContact CA-O 3.45Å; T206-E288 HydrophobicContact CG2-CB 3.67Å; T206-E288 HydrophobicContact CG2-CG 3.8Å; T206-G289 VanDerWaalsContact CG2-CA 3.47Å
207	D	95.3	Very high	94.5	Very high	49 Å²	49	64.3 Å²	64.3	26%	0.262	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-91.3	114.7	-179	-61.9	-45.4	0	0	0	109	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 2.74Å; R205-D207 VanDerWaalsContact CZ-OD2 3.25Å; R205-D207 IonicContact NE-OD1 2.74Å; R205-D207 IonicContact NE-OD2 3.92Å; R205-D207 PolarHBondContact NE-OD2 2.75Å; R205-D207 IonicContact NH2-OD2 3.7Å; R205-D207 PolarHBondContact NH2-OD2 3.34Å; D207-F232 WeakPolarHBondContact O-CA 3.35Å; D207-F232 VanDerWaalsContact O-CB 3.29Å; D207-F232 WeakPolarHBondContact O-CB 3.45Å; D207-Y233 PolarHBondContact N-O 3.14Å; D207-Y233 PolarHBondContact O-N 3.19Å; D207-Y233 VanDerWaalsContact O-N 3.12Å; D207-H287 PolarHBondContact O-CE1 3.17Å
208	A	97.1	Very high	94.1	Very high	44 Å²	44	63.4 Å²	63.4	36%	0.364	33%	0.334	S	S	.	.			trans	-71.6	139.3	-178.1	0	0	0	0	0	112.3	K210 G289 L290	A208-K210 PolarHBondContact O-N 2.86Å; A208-G289 WeakPolarHBondContact CB-O 3.25Å; A208-L290 HydrophobicContact CB-CD2 4.2Å
209	P	97.9	Very high	93.8	Very high	9 Å²	9	63.6 Å²	63.6	6%	0.058	34%	0.339	C	S	.	.			trans	-63.8	127.2	-177.7	24.9	-34.9	0	0	0	112.9	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.11Å; P209-T211 HydrophobicContact CG-CG2 4.34Å; P209-T211 PolarHBondContact O-N 3.21Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.94Å; P209-F232 HydrophobicContact CB-CD1 3.94Å; P209-F232 HydrophobicContact CB-CG 4.21Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 4.04Å; P209-H287 HydrophobicContact CG-CB 4.04Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.2Å; P209-L290 HydrophobicContact CG-CG 4.06Å
210	K	97.9	Very high	93.4	Very high	136 Å²	136	70.7 Å²	70.7	59%	0.591	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	91.8	168.6	-62	171.9	-165.9	158.2	0	108.2	A208 L230 S231	A208-K210 PolarHBondContact O-N 2.86Å; K210-L230 WeakPolarHBondContact CB-O 3.4Å; K210-L230 PolarHBondContact N-O 3.15Å; K210-L230 PolarHBondContact O-N 2.76Å; K210-S231 PolarHBondContact NZ-OG 2.78Å
211	T	97.3	Very high	93.2	Very high	36 Å²	36	73.3 Å²	73.3	22%	0.221	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.4	-174.7	57.4	0	0	0	0	113.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.11Å; P209-T211 HydrophobicContact CG-CG2 4.34Å; P209-T211 PolarHBondContact O-N 3.21Å; T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-A229 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.18Å; T211-V285 HydrophobicContact CG2-CG2 4.06Å; T211-L294 HydrophobicContact CG2-CD1 4.14Å; T211-L296 HydrophobicContact CG2-CD1 4.03Å
212	H	94.7	Very high	93.3	Very high	79 Å²	79	69.1 Å²	69.1	37%	0.366	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	167.7	168	70.6	-77.4	0	0	0	111	W228	H212-W228 AromaticContact CD2-CD1 4Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.5Å; H212-W228 AromaticContact CE1-CD1 3.8Å; H212-W228 AromaticContact CE1-CG 3.55Å; H212-W228 PolarHBondContact N-O 2.92Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 AromaticContact NE2-NE1 3.99Å; H212-W228 PolarHBondContact O-N 2.79Å
213	M	95.3	Very high	93.5	Very high	34 Å²	34	67 Å²	67	17%	0.167	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.6	171.7	-73.2	-165.2	174.1	0	0	111.8	R226 C227 W241 C283 L296 W298	M213-R226 CarbonylContact C-O 3.53Å; M213-R226 VanDerWaalsContact CA-O 3.3Å; M213-R226 WeakPolarHBondContact CA-O 3.4Å; M213-C227 HydrophobicContact CE-CB 4.5Å; M213-W241 HydrophobicContact CE-CH2 3.24Å; M213-W241 HydrophobicContact CE-CZ2 4.05Å; M213-W241 HydrophobicContact CE-CZ3 3.61Å; M213-W241 HydrophobicContact SD-CH2 3.77Å; M213-W241 HydrophobicContact SD-CZ3 4.48Å; M213-C283 HydrophobicContact CE-CB 3.41Å; M213-C283 VanDerWaalsContact CE-CB 3.41Å; M213-L296 HydrophobicContact CE-CB 3.76Å; M213-L296 VanDerWaalsContact CE-O 3.25Å; M213-L296 WeakPolarHBondContact CE-O 3.47Å; M213-W298 VanDerWaalsContact SD-CA 3.58Å; M213-W298 HydrophobicContact SD-CB 3.84Å; M213-W298 PolarHBondContact SD-N 3.26Å
214	T	94.6	Very high	93.6	Very high	36 Å²	36	68 Å²	68	22%	0.221	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.8	163.8	64.7	0	0	0	0	110	H216 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.45Å; T214-H216 PolarHBondContact OG1-NE2 3.27Å; T214-R226 PolarHBondContact N-O 3.34Å; T214-R226 PolarHBondContact O-N 2.89Å; T214-W228 PolarHBondContact OG1-NE1 2.98Å
215	H	94.3	Very high	93.9	Very high	63 Å²	63	63.9 Å²	63.9	29%	0.292	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.2	177.6	161.7	-72.9	0	0	0	108.7	A223 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.33Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-W298 HydrophobicContact CB-CD2 4.41Å; H215-W298 HydrophobicContact CB-CG 4.47Å; H215-W298 HydrophobicContact CB-CZ2 4.08Å; H215-W298 VanDerWaalsContact CB-NE1 3.34Å; H215-W298 AromaticContact CD2-CE2 3.94Å; H215-W298 AromaticContact CD2-CZ2 3.78Å; H215-W298 AromaticContact CG-CE2 3.89Å; H215-W298 AromaticContact CG-CZ2 3.82Å
216	H	92.8	Very high	94.2	Very high	86 Å²	86	62.5 Å²	62.5	40%	0.398	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	112.4	178.9	-53.4	-80.6	0	0	0	109	T214 V218 A223 T224	T214-H216 WeakPolarHBondContact CB-NE2 3.45Å; T214-H216 PolarHBondContact OG1-NE2 3.27Å; H216-V218 PolarHBondContact O-N 3.44Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 VanDerWaalsContact O-CA 3.31Å; H216-A223 WeakPolarHBondContact O-CA 3.36Å; H216-T224 PolarHBondContact N-O 3.27Å; H216-T224 PolarHBondContact O-N 3.43Å
217	A	91.4	Very high	94.4	Very high	78 Å²	78	59.7 Å²	59.7	65%	0.645	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.6	172.7	0	0	0	0	0	109.7
218	V	88.1	Confident	94.6	Very high	92 Å²	92	59.8 Å²	59.8	56%	0.558	32%	0.318	S	S	*	.			trans	-103.9	-36.9	178.4	-177.7	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.44Å; V218-E222 PolarHBondContact N-O 3.44Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.5Å
219	S	89.4	Confident	94.6	Very high	53 Å²	53	57.7 Å²	57.7	37%	0.371	30%	0.301	S	S	.	.	S	Bend	trans	-150.2	179.8	173.6	69.9	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.23Å; S219-H221 PolarHBondContact OG-N 3.41Å; S219-H221 VanDerWaalsContact OG-N 3.12Å; S219-E222 PolarHBondContact N-O 3.35Å; S219-E222 PolarHBondContact OG-N 2.87Å; S219-E222 VanDerWaalsContact OG-N 3.09Å
220	D	87.3	Confident	94.6	Very high	152 Å²	152	59.6 Å²	59.6	81%	0.813	31%	0.31	S	S	*	.	S	Bend	trans	-64.5	-5	170.3	-63.4	-30.8	0	0	0	113.3
221	H	91.4	Very high	94.6	Very high	144 Å²	144	54.8 Å²	54.8	67%	0.667	29%	0.293	S	S	*	.	S	Bend	trans	-123.3	-16.2	-174.8	-56.7	-19.2	0	0	0	113.6	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.23Å; S219-H221 PolarHBondContact OG-N 3.41Å; S219-H221 VanDerWaalsContact OG-N 3.12Å; H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.47Å; H221-S275 PolarHBondContact O-N 2.95Å; H221-S275 PolarHBondContact O-OG 3.47Å
222	E	94.1	Very high	94.6	Very high	92 Å²	92	53 Å²	53	43%	0.43	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142.3	-173.4	-65.1	-179.5	160	0	0	112.6	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.44Å; S219-E222 PolarHBondContact N-O 3.35Å; S219-E222 PolarHBondContact OG-N 2.87Å; S219-E222 VanDerWaalsContact OG-N 3.09Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.41Å; E222-S275 PolarHBondContact N-OG 2.96Å
223	A	94.7	Very high	94.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.7	170.7	0	0	0	0	0	111	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.33Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 VanDerWaalsContact O-CA 3.31Å; H216-A223 WeakPolarHBondContact O-CA 3.36Å; A223-V273 HydrophobicContact CB-CG2 4.44Å; A223-V273 PolarHBondContact N-O 3.03Å; A223-V273 PolarHBondContact O-N 3.49Å
224	T	96.6	Very high	94.6	Very high	23 Å²	23	49 Å²	49	14%	0.141	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.7	166.7	-52.3	0	0	0	0	109.3	H216 V218	H216-T224 PolarHBondContact N-O 3.27Å; H216-T224 PolarHBondContact O-N 3.43Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.5Å
225	L	97.1	Very high	94.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.9	162.6	-61.8	-177.5	0	0	0	108.5	H215 W241 S270 V271 V273 E278 W298	H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.55Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.42Å; L225-W241 HydrophobicContact CD1-CH2 3.92Å; L225-W241 HydrophobicContact CD1-CZ3 4.12Å; L225-W241 HydrophobicContact CG-CH2 4.4Å; L225-S270 CarbonylContact O-C 3.54Å; L225-S270 WeakPolarHBondContact O-CA 3.48Å; L225-S270 WeakPolarHBondContact O-CB 3.37Å; L225-V271 HydrophobicContact CB-CG1 4.42Å; L225-V271 PolarHBondContact N-O 2.96Å; L225-V271 PolarHBondContact O-N 2.85Å; L225-V273 HydrophobicContact CD1-CG1 3.94Å; L225-V273 HydrophobicContact CD1-CG2 4.11Å; L225-V273 HydrophobicContact CG-CG1 4.09Å; L225-V273 HydrophobicContact CG-CG2 3.9Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD2-CB 4.41Å; L225-E278 HydrophobicContact CD2-CG 4.26Å; L225-W298 HydrophobicContact CD1-CB 4.37Å; L225-W298 HydrophobicContact CD2-CB 3.96Å; L225-W298 HydrophobicContact CD2-CD2 4.3Å; L225-W298 HydrophobicContact CD2-CG 3.92Å
226	R	97.6	Very high	94.7	Very high	46 Å²	46	50.4 Å²	50.4	17%	0.174	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.6	173.7	-174.6	173.6	-72.4	113	0.4	110.5	M213 T214 W228 E253 W268 A269 S270	M213-R226 CarbonylContact C-O 3.53Å; M213-R226 VanDerWaalsContact CA-O 3.3Å; M213-R226 WeakPolarHBondContact CA-O 3.4Å; T214-R226 PolarHBondContact N-O 3.34Å; T214-R226 PolarHBondContact O-N 2.89Å; R226-W228 HydrophobicContact CG-CZ2 4.48Å; R226-E253 IonicContact NH2-OE2 2.75Å; R226-E253 PolarHBondContact NH2-OE2 3.19Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.18Å; R226-W268 HydrophobicContact CG-CE3 4.02Å; R226-W268 HydrophobicContact CG-CG 4.24Å; R226-A269 WeakPolarHBondContact CA-O 3.16Å; R226-S270 PolarHBondContact NE-OG 3.16Å; R226-S270 PolarHBondContact NH2-OG 2.91Å; R226-S270 VanDerWaalsContact NH2-OG 3.13Å
227	C	97.9	Very high	94.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.4	173.6	-175.8	0	0	0	0	109.2	M213 W241 W268 A269 C283	M213-C227 HydrophobicContact CE-CB 4.5Å; C227-W241 HydrophobicContact CB-CZ2 3.7Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.47Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; C227-A269 PolarHBondContact N-O 3.37Å; C227-A269 PolarHBondContact O-N 3.04Å; C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.47Å; C227-C283 WeakPolarHBondContact SG-CB 3.35Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.97Å
228	W	98.1	Very high	95.2	Very high	51 Å²	51	45 Å²	45	19%	0.193	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.2	-179.8	-67	87.1	0	0	0	110.9	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.36Å; H212-W228 AromaticContact CD2-CD1 4Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.5Å; H212-W228 AromaticContact CE1-CD1 3.8Å; H212-W228 AromaticContact CE1-CG 3.55Å; H212-W228 PolarHBondContact N-O 2.92Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 AromaticContact NE2-NE1 3.99Å; H212-W228 PolarHBondContact O-N 2.79Å; T214-W228 PolarHBondContact OG1-NE1 2.98Å; R226-W228 HydrophobicContact CG-CZ2 4.48Å; W228-L230 HydrophobicContact CE3-CD2 4.07Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.38Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.64Å; W228-W268 HydrophobicContact CE3-CG 4.07Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.71Å; W228-W268 HydrophobicContact CH2-CG 4.39Å; W228-W268 AromaticContact CH2-NE1 3.96Å; W228-W268 HydrophobicContact CZ3-CB 4.43Å; W228-W268 AromaticContact CZ3-CD1 3.3Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; W228-W268 AromaticContact CZ3-NE1 3.93Å
229	A	98.4	Very high	95.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.3	161.5	0	0	0	0	0	108.4	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.48Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.47Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.43Å; A229-K267 PolarHBondContact N-O 3.22Å; A229-K267 PolarHBondContact O-N 2.83Å; A229-K267 VanDerWaalsContact O-O 3.04Å
230	L	98.1	Very high	96	Very high	50 Å²	50	40.3 Å²	40.3	26%	0.262	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.6	-175.7	-60.3	178.3	0	0	0	111.4	K210 W228 F232 Q266	K210-L230 WeakPolarHBondContact CB-O 3.4Å; K210-L230 PolarHBondContact N-O 3.15Å; K210-L230 PolarHBondContact O-N 2.76Å; W228-L230 HydrophobicContact CE3-CD2 4.07Å; L230-F232 PolarHBondContact O-N 3Å; L230-Q266 HydrophobicContact CD2-CB 3.61Å
231	S	97.4	Very high	96.5	Very high	34 Å²	34	33.1 Å²	33.1	24%	0.238	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.9	46.7	174.8	-55.5	0	0	0	0	114.8	K210 T264 F265	K210-S231 PolarHBondContact NZ-OG 2.78Å; S231-T264 WeakPolarHBondContact CA-OG1 3.28Å; S231-F265 PolarHBondContact N-O 3.45Å
232	F	97.4	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	159.2	175.8	59.1	-91.5	0	0	0	113.2	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.35Å; D207-F232 VanDerWaalsContact O-CB 3.29Å; D207-F232 WeakPolarHBondContact O-CB 3.45Å; P209-F232 HydrophobicContact CB-CB 3.94Å; P209-F232 HydrophobicContact CB-CD1 3.94Å; P209-F232 HydrophobicContact CB-CG 4.21Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.47Å; L230-F232 PolarHBondContact O-N 3Å; F232-P234 WeakPolarHBondContact CD2-O 3.25Å; F232-I237 HydrophobicContact CD1-CD1 3.8Å; F232-I237 HydrophobicContact CD2-CB 4.31Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.69Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.93Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 3.99Å; F232-T257 HydrophobicContact CZ-CG2 3.84Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.86Å; F232-F265 HydrophobicContact CE1-CB 4.35Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.43Å; F232-F265 VanDerWaalsContact CE2-CB 3.43Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 3.13Å; F232-F265 PolarHBondContact O-N 2.85Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.94Å; F232-H287 AromaticContact CD2-NE2 3.73Å
233	Y	95.5	Very high	96.9	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-156	134.8	175.3	179.3	-84.1	0	0	0	108.7	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.13Å; T55-Y233 PolarHBondContact OG1-OH 2.83Å; T55-Y233 VanDerWaalsContact OG1-OH 3.04Å; R205-Y233 HydrophobicContact CG-CD1 4.24Å; R205-Y233 WeakPolarHBondContact O-CD1 3.39Å; T206-Y233 CarbonylContact C-O 3.58Å; T206-Y233 WeakPolarHBondContact CA-O 3.45Å; D207-Y233 PolarHBondContact N-O 3.14Å; D207-Y233 PolarHBondContact O-N 3.19Å; D207-Y233 VanDerWaalsContact O-N 3.12Å; Y233-G263 WeakPolarHBondContact CD2-O 3.36Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 HydrophobicContact CD2-CE2 4.1Å; Y233-H287 PolarHBondContact O-CE1 3.45Å; Y233-H287 VanDerWaalsContact O-CE1 3.25Å
234	P	94.6	Very high	96.9	Very high	23 Å²	23	32.1 Å²	32.1	15%	0.149	16%	0.163	C	C	.	.	S	Bend	cis	-70.3	178.2	1.9	30.6	-37.1	0	0	0	113.2	D54 F232 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.39Å; F232-P234 WeakPolarHBondContact CD2-O 3.25Å; P234-H287 PolarHBondContact O-NE2 3.47Å
235	A	96.1	Very high	96.6	Very high	12 Å²	12	33.2 Å²	33.2	10%	0.099	18%	0.178	C	C	.	.	S	Bend	trans	-74.3	-22.1	-174.9	0	0	0	0	0	114.4	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 VanDerWaalsContact CG-CB 3.43Å; D54-A235 WeakPolarHBondContact OD1-CB 3.25Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 PolarHBondContact OD2-N 2.85Å; A235-I237 PolarHBondContact O-N 2.04Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.4Å; A235-F265 HydrophobicContact CB-CB 4.5Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.77Å; A235-F265 HydrophobicContact CB-CE2 3.75Å; A235-F265 HydrophobicContact CB-CG 3.65Å; A235-F265 HydrophobicContact CB-CZ 3.82Å
236	E	95.4	Very high	96.5	Very high	117 Å²	117	40.1 Å²	40.1	55%	0.547	21%	0.211	S	C	.	.			trans	-63.3	122.6	176.5	-173.3	44.4	-112.8	0	0	109.5	W23 H287	W23-E236 HydrophobicContact CH2-CB 4.39Å; W23-E236 HydrophobicContact CH2-CG 3.72Å; W23-E236 HydrophobicContact CZ2-CG 4.18Å; W23-E236 HydrophobicContact CZ3-CB 4.3Å; W23-E236 HydrophobicContact CZ3-CG 4Å; W23-E236 VanDerWaalsContact CZ3-O 3.28Å; W23-E236 WeakPolarHBondContact CZ3-O 3.32Å; E236-H287 PolarHBondContact O-CD2 3.12Å
237	I	96.3	Very high	96.4	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	23%	0.226	C	C	.	.			trans	-158.5	129.9	-175.8	-162.7	172.8	0	0	0	109.9	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; F232-I237 HydrophobicContact CD1-CD1 3.8Å; F232-I237 HydrophobicContact CD2-CB 4.31Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.69Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.93Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 2.04Å; I237-L239 HydrophobicContact CD1-CD1 3.74Å; I237-L239 HydrophobicContact CG1-CD1 3.7Å; I237-L239 HydrophobicContact CG2-CD1 4.24Å; I237-K267 HydrophobicContact CG2-CB 4.13Å; I237-K267 HydrophobicContact CG2-CD 3.46Å; I237-K267 VanDerWaalsContact CG2-CD 3.46Å; I237-K267 HydrophobicContact CG2-CG 4.46Å; I237-V285 HydrophobicContact CD1-CG1 4.14Å; I237-V285 HydrophobicContact CG1-CG1 4.4Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; I237-H287 HydrophobicContact CD1-CB 4.38Å; I237-H287 HydrophobicContact CG1-CB 4.13Å
238	T	96.9	Very high	96.2	Very high	47 Å²	47	43.6 Å²	43.6	29%	0.288	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.1	174.8	-64.9	0	0	0	0	110	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T238-V285 WeakPolarHBondContact O-CA 3.35Å; T238-Q286 PolarHBondContact N-O 3.2Å; T238-Q286 PolarHBondContact O-N 3.01Å
239	L	97.6	Very high	95.8	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.9	169.5	-89.4	62.5	0	0	0	108	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.29Å; I237-L239 HydrophobicContact CD1-CD1 3.74Å; I237-L239 HydrophobicContact CG1-CD1 3.7Å; I237-L239 HydrophobicContact CG2-CD1 4.24Å; L239-L254 HydrophobicContact CB-CD1 4.07Å; L239-K267 HydrophobicContact CD1-CD 4.35Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L239-A269 HydrophobicContact CB-CB 4.16Å; L239-A269 HydrophobicContact CD2-CB 4.35Å; L239-H284 WeakPolarHBondContact CA-O 3.19Å; L239-V285 HydrophobicContact CD1-CG1 3.99Å; L239-V285 HydrophobicContact CD1-CG2 4.41Å; L239-V285 HydrophobicContact CG-CG2 4.27Å
240	T	96.9	Very high	95.4	Very high	40 Å²	40	55.5 Å²	55.5	25%	0.245	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.8	173.9	55.7	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.2Å; T240-H284 PolarHBondContact N-O 2.94Å; T240-H284 PolarHBondContact O-N 3.4Å
241	W	97.6	Very high	95	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.3	168.3	-81.5	103.2	0	0	0	110.3	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.24Å; M213-W241 HydrophobicContact CE-CZ2 4.05Å; M213-W241 HydrophobicContact CE-CZ3 3.61Å; M213-W241 HydrophobicContact SD-CH2 3.77Å; M213-W241 HydrophobicContact SD-CZ3 4.48Å; L225-W241 HydrophobicContact CB-CH2 3.55Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.42Å; L225-W241 HydrophobicContact CD1-CH2 3.92Å; L225-W241 HydrophobicContact CD1-CZ3 4.12Å; L225-W241 HydrophobicContact CG-CH2 4.4Å; C227-W241 HydrophobicContact CB-CZ2 3.7Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.19Å; W241-A269 PolarHBondContact NE1-O 2.89Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CB 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.51Å; W241-V271 HydrophobicContact CE3-CG1 3.87Å; W241-V271 HydrophobicContact CG-CB 4.13Å; W241-V271 HydrophobicContact CG-CG1 3.76Å; W241-V271 HydrophobicContact CH2-CG1 4.42Å; W241-V271 HydrophobicContact CZ2-CG1 4.13Å; W241-V271 HydrophobicContact CZ3-CG1 4.32Å; W241-T282 WeakPolarHBondContact CA-O 3.33Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.17Å; W241-C283 HydrophobicContact CE3-CB 4.12Å; W241-C283 HydrophobicContact CH2-CB 4.19Å; W241-C283 HydrophobicContact CZ2-CB 4.22Å; W241-C283 HydrophobicContact CZ3-CB 4.13Å
242	Q	97.4	Very high	94.8	Very high	38 Å²	38	58 Å²	58	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.2	169.9	-75.2	-176.3	-8.1	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 WeakPolarHBondContact CA-O 3.47Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 2.84Å; Q242-Y281 CarbonylContact O-C 3.52Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 2.92Å; Q242-T282 PolarHBondContact O-N 3.34Å; Q242-T282 PolarHBondContact O-OG1 2.7Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.4Å; Q242-H284 VanDerWaalsContact CG-NE2 3.31Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.49Å; Q242-H284 PolarHBondContact OE1-NE2 3.49Å
243	R	96.8	Very high	94.8	Very high	77 Å²	77	63 Å²	63	29%	0.291	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.2	170.9	170.2	179.2	159.9	167.8	-17.1	108.8	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.38Å; R243-E246 PolarHBondContact N-O 2.7Å; R243-E246 PolarHBondContact O-N 2.85Å; R243-Q248 VanDerWaalsContact CB-CD 3.48Å; R243-Q248 HydrophobicContact CB-CG 3.84Å; R243-R280 WeakPolarHBondContact CA-O 3.38Å; R243-R280 HydrophobicContact CG-CB 4.49Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.93Å; R243-Y281 HydrophobicContact CG-CE1 4.32Å; R243-Y281 HydrophobicContact CG-CE2 4.31Å; R243-Y281 PolarHBondContact NH1-OH 3.37Å
244	D	94.5	Very high	94.8	Very high	100 Å²	100	67 Å²	67	54%	0.535	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	10.7	-175.7	-48.5	-61.4	0	0	0	115.2	R280	D244-R280 PolarHBondContact N-O 3.48Å; D244-R280 WeakPolarHBondContact OD1-CB 3.43Å; D244-R280 WeakPolarHBondContact OD1-CG 3.18Å; D244-R280 IonicContact OD1-CZ 2.69Å; D244-R280 IonicContact OD1-NE 3.12Å; D244-R280 PolarHBondContact OD1-NE 3.19Å; D244-R280 IonicContact OD1-NH2 3.85Å; D244-R280 IonicContact OD2-CZ 3.31Å; D244-R280 IonicContact OD2-NE 3.13Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.91Å
245	G	90.7	Very high	94.9	Very high	46 Å²	46	67.6 Å²	67.6	47%	0.474	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.1	-5.6	-174.3	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.38Å
246	E	95.1	Very high	95	Very high	146 Å²	146	75.1 Å²	75.1	68%	0.682	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.1	177.6	-61.3	-175.7	160.4	0	0	111.3	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 WeakPolarHBondContact CA-O 3.47Å; R243-E246 PolarHBondContact N-O 2.7Å; R243-E246 PolarHBondContact O-N 2.85Å; E246-Q248 PolarHBondContact O-NE2 3.18Å
247	D	95.1	Very high	95.1	Very high	93 Å²	93	71.7 Å²	71.7	50%	0.497	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138	-179.5	-64.9	-43.9	0	0	0	112	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 2.84Å
248	Q	94.8	Very high	95.1	Very high	26 Å²	26	76.2 Å²	76.2	12%	0.121	39%	0.394	C	S	.	.			trans	-108.2	36.4	-174.7	-55.3	-66.6	-99.5	0	0	111.9	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.19Å; R243-Q248 VanDerWaalsContact CB-CD 3.48Å; R243-Q248 HydrophobicContact CB-CG 3.84Å; E246-Q248 PolarHBondContact O-NE2 3.18Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.15Å; Q248-D251 PolarHBondContact O-N 3.43Å; Q248-D251 VanDerWaalsContact O-N 3.16Å; Q248-T252 WeakPolarHBondContact O-CB 3.46Å; Q248-T252 PolarHBondContact O-N 2.84Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.85Å; Q248-Y281 HydrophobicContact CG-CE1 4.3Å
249	T	89.6	Confident	95.1	Very high	107 Å²	107	78.1 Å²	78.1	66%	0.656	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.9	-166	-45.3	0	0	0	0	114.6
250	Q	90	Very high	95	Very high	193 Å²	193	80.2 Å²	80.2	90%	0.902	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-32.1	178.6	-64	-173.9	9	0	0	112.7	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.15Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	88.5	Confident	94.8	Very high	112 Å²	112	82 Å²	82	60%	0.599	45%	0.451	S	S	*	.	S	Bend	trans	-91.8	4.3	-179.6	-50	-75	0	0	0	112.8	Q248 V271	Q248-D251 PolarHBondContact O-N 3.43Å; Q248-D251 VanDerWaalsContact O-N 3.16Å; D251-V271 HydrophobicContact CB-CG2 4.47Å
252	T	94.9	Very high	94.6	Very high	24 Å²	24	87 Å²	87	15%	0.147	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.5	-179.1	-63.6	0	0	0	0	111.7	Q248 Q250 L254 A269 S270	Q248-T252 WeakPolarHBondContact O-CB 3.46Å; Q248-T252 PolarHBondContact O-N 2.84Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 2.85Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.29Å; T252-L254 PolarHBondContact O-N 3.49Å; T252-A269 HydrophobicContact CG2-CB 3.96Å; T252-S270 CarbonylContact C-O 3.58Å; T252-S270 WeakPolarHBondContact CA-O 3.26Å
253	E	96.4	Very high	94.3	Very high	106 Å²	106	87.2 Å²	87.2	50%	0.495	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	98.4	163.8	-174.5	-166.7	-155.8	0	0	109.2	R226 W268 A269 S270	R226-E253 IonicContact NH2-OE2 2.75Å; R226-E253 PolarHBondContact NH2-OE2 3.19Å; E253-W268 HydrophobicContact CB-CZ3 4.35Å; E253-W268 VanDerWaalsContact CD-CZ3 3.44Å; E253-W268 HydrophobicContact CG-CH2 4.02Å; E253-W268 HydrophobicContact CG-CZ3 3.74Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.24Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.41Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.49Å; E253-S270 PolarHBondContact N-O 2.89Å; E253-S270 PolarHBondContact O-N 2.74Å; E253-S270 PolarHBondContact OE2-OG 3.46Å
254	L	96.6	Very high	94.3	Very high	87 Å²	87	84.1 Å²	84.1	46%	0.455	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.2	177.1	-175.4	69.4	0	0	0	110.5	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.07Å; T252-L254 HydrophobicContact CG2-CB 4.29Å; T252-L254 PolarHBondContact O-N 3.49Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.74Å
255	V	96.6	Very high	94.5	Very high	36 Å²	36	80.6 Å²	80.6	22%	0.218	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-84.9	153.5	173.9	-65.6	0	0	0	0	112.7	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 WeakPolarHBondContact O-CE 3.44Å; V255-K267 WeakPolarHBondContact O-CG 3.34Å; V255-K267 PolarHBondContact O-NZ 2.9Å; V255-W268 HydrophobicContact CG1-CD2 4.02Å; V255-W268 HydrophobicContact CG1-CE3 4.15Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.38Å; V255-W268 HydrophobicContact CG1-CZ3 3.89Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.33Å; V255-W268 HydrophobicContact CG2-CG 3.81Å; V255-W268 HydrophobicContact CG2-CZ2 4.47Å; V255-W268 WeakPolarHBondContact CG2-O 3.29Å; V255-W268 PolarHBondContact N-O 2.96Å
256	E	96.3	Very high	94.8	Very high	170 Å²	170	80.4 Å²	80.4	79%	0.794	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-54.1	149	165.1	-66	-177.1	165	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 2.97Å
257	T	97.6	Very high	95	Very high	45 Å²	45	74.4 Å²	74.4	28%	0.276	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-72.5	128.6	174.5	-54.8	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 3.99Å; F232-T257 HydrophobicContact CZ-CG2 3.84Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.4Å; T257-F265 HydrophobicContact CG2-CB 3.87Å; T257-F265 HydrophobicContact CG2-CD1 4.04Å; T257-F265 HydrophobicContact CG2-CG 4.25Å; T257-K267 WeakPolarHBondContact OG1-CD 3.24Å; T257-K267 PolarHBondContact OG1-NZ 2.85Å
258	R	97	Very high	95.1	Very high	101 Å²	101	71.2 Å²	71.2	38%	0.381	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.3	-174.8	70	-163.7	-175.9	-174.9	4.4	110.8	E256 Q266	E256-R258 PolarHBondContact O-N 2.97Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 3.42Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 3.13Å
259	P	96.9	Very high	95.3	Very high	87 Å²	87	70 Å²	70	57%	0.565	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	153.6	176.5	27.6	-34.5	0	0	0	111.5	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.35Å; P259-F265 HydrophobicContact CB-CE1 4.06Å; P259-Q266 PolarHBondContact O-NE2 2.59Å
260	A	96.3	Very high	95.6	Very high	49 Å²	49	65 Å²	65	41%	0.405	36%	0.364	S	S	.	.			trans	-92.6	-19.3	169.3	0	0	0	0	0	112.6	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.35Å; A260-T264 WeakPolarHBondContact CB-O 3.35Å; A260-T264 PolarHBondContact N-O 2.79Å; A260-Q266 HydrophobicContact CB-CG 4.44Å
261	G	93.1	Very high	96	Very high	77 Å²	77	56 Å²	56	79%	0.794	32%	0.321	S	S	*	.	S	Bend	trans	97.3	-6.5	178.4	0	0	0	0	0	114.9
262	D	92.6	Very high	96.4	Very high	106 Å²	106	54.1 Å²	54.1	57%	0.567	31%	0.314	S	S	*	.	S	Bend	trans	-100.3	9.2	175.1	60.7	0.1	0	0	0	113.2	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.35Å; D262-T264 WeakPolarHBondContact OD1-CA 3.01Å; D262-T264 WeakPolarHBondContact OD1-CB 3.13Å; D262-T264 PolarHBondContact OD1-N 3.41Å; D262-T264 PolarHBondContact OD1-OG1 3.49Å; D262-T264 PolarHBondContact OD2-OG1 3.25Å
263	G	91.4	Very high	96.4	Very high	43 Å²	43	53 Å²	53	44%	0.443	31%	0.307	S	S	.	.	S	Bend	trans	87	3.6	-171.1	0	0	0	0	0	114.5	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.36Å
264	T	96.6	Very high	96.4	Very high	12 Å²	12	50.1 Å²	50.1	7%	0.074	30%	0.297	C	S	.	.			trans	-108.7	171.1	171.6	74.3	0	0	0	0	112.4	S231 F232 A260 D262	S231-T264 WeakPolarHBondContact CA-OG1 3.28Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; A260-T264 WeakPolarHBondContact CB-O 3.35Å; A260-T264 PolarHBondContact N-O 2.79Å; D262-T264 WeakPolarHBondContact OD1-CA 3.01Å; D262-T264 WeakPolarHBondContact OD1-CB 3.13Å; D262-T264 PolarHBondContact OD1-N 3.41Å; D262-T264 PolarHBondContact OD1-OG1 3.49Å; D262-T264 PolarHBondContact OD2-OG1 3.25Å
265	F	98	Very high	96.1	Very high	26 Å²	26	48.6 Å²	48.6	11%	0.114	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	163.9	-176.3	-66.4	-84.9	0	0	0	112.7	D54 S231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.73Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; S231-F265 PolarHBondContact N-O 3.45Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.86Å; F232-F265 HydrophobicContact CE1-CB 4.35Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.43Å; F232-F265 VanDerWaalsContact CE2-CB 3.43Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 3.13Å; F232-F265 PolarHBondContact O-N 2.85Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 HydrophobicContact CD2-CE2 4.1Å; A235-F265 HydrophobicContact CB-CB 4.5Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.77Å; A235-F265 HydrophobicContact CB-CE2 3.75Å; A235-F265 HydrophobicContact CB-CG 3.65Å; A235-F265 HydrophobicContact CB-CZ 3.82Å; T257-F265 HydrophobicContact CG2-CB 3.87Å; T257-F265 HydrophobicContact CG2-CD1 4.04Å; T257-F265 HydrophobicContact CG2-CG 4.25Å; P259-F265 HydrophobicContact CB-CD1 4.35Å; P259-F265 HydrophobicContact CB-CE1 4.06Å
266	Q	98.1	Very high	95.8	Very high	42 Å²	42	50.1 Å²	50.1	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	143.1	178.4	39.2	161.6	-25.6	0	0	110.1	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.43Å; L230-Q266 HydrophobicContact CD2-CB 3.61Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 3.42Å; R258-Q266 VanDerWaalsContact NE-CD 3.26Å; R258-Q266 VanDerWaalsContact O-CG 3.26Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 3.13Å; P259-Q266 PolarHBondContact O-NE2 2.59Å; A260-Q266 HydrophobicContact CB-CG 4.44Å
267	K	98.5	Very high	95.7	Very high	21 Å²	21	44.9 Å²	44.9	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.5	176.9	-160.3	-176.4	-168.7	64.7	0	109.2	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.22Å; A229-K267 PolarHBondContact O-N 2.83Å; A229-K267 VanDerWaalsContact O-O 3.04Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.13Å; I237-K267 HydrophobicContact CG2-CD 3.46Å; I237-K267 VanDerWaalsContact CG2-CD 3.46Å; I237-K267 HydrophobicContact CG2-CG 4.46Å; L239-K267 HydrophobicContact CD1-CD 4.35Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 WeakPolarHBondContact O-CE 3.44Å; V255-K267 WeakPolarHBondContact O-CG 3.34Å; V255-K267 PolarHBondContact O-NZ 2.9Å; T257-K267 WeakPolarHBondContact OG1-CD 3.24Å; T257-K267 PolarHBondContact OG1-NZ 2.85Å
268	W	98	Very high	95.5	Very high	26 Å²	26	43.7 Å²	43.7	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	160.4	168.4	55.7	-100.7	0	0	0	111.8	R226 C227 W228 E253 V255 S270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.18Å; R226-W268 HydrophobicContact CG-CE3 4.02Å; R226-W268 HydrophobicContact CG-CG 4.24Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.47Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.38Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.64Å; W228-W268 HydrophobicContact CE3-CG 4.07Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.71Å; W228-W268 HydrophobicContact CH2-CG 4.39Å; W228-W268 AromaticContact CH2-NE1 3.96Å; W228-W268 HydrophobicContact CZ3-CB 4.43Å; W228-W268 AromaticContact CZ3-CD1 3.3Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; W228-W268 AromaticContact CZ3-NE1 3.93Å; E253-W268 HydrophobicContact CB-CZ3 4.35Å; E253-W268 VanDerWaalsContact CD-CZ3 3.44Å; E253-W268 HydrophobicContact CG-CH2 4.02Å; E253-W268 HydrophobicContact CG-CZ3 3.74Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.24Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.41Å; V255-W268 HydrophobicContact CG1-CD2 4.02Å; V255-W268 HydrophobicContact CG1-CE3 4.15Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.38Å; V255-W268 HydrophobicContact CG1-CZ3 3.89Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.33Å; V255-W268 HydrophobicContact CG2-CG 3.81Å; V255-W268 HydrophobicContact CG2-CZ2 4.47Å; V255-W268 WeakPolarHBondContact CG2-O 3.29Å; V255-W268 PolarHBondContact N-O 2.96Å; W268-S270 WeakPolarHBondContact CZ3-OG 3.46Å
269	A	98	Very high	95.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.2	172.9	0	0	0	0	0	108.8	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.16Å; C227-A269 PolarHBondContact N-O 3.37Å; C227-A269 PolarHBondContact O-N 3.04Å; L239-A269 HydrophobicContact CB-CB 4.16Å; L239-A269 HydrophobicContact CD2-CB 4.35Å; W241-A269 PolarHBondContact NE1-O 2.89Å; T252-A269 HydrophobicContact CG2-CB 3.96Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.49Å; L254-A269 HydrophobicContact CD1-CB 3.74Å
270	S	97.3	Very high	95.2	Very high	3 Å²	3	44 Å²	44	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.3	170.6	1.9	0	0	0	0	112.8	L225 R226 T252 E253 W268	L225-S270 CarbonylContact O-C 3.54Å; L225-S270 WeakPolarHBondContact O-CA 3.48Å; L225-S270 WeakPolarHBondContact O-CB 3.37Å; R226-S270 PolarHBondContact NE-OG 3.16Å; R226-S270 PolarHBondContact NH2-OG 2.91Å; R226-S270 VanDerWaalsContact NH2-OG 3.13Å; T252-S270 CarbonylContact C-O 3.58Å; T252-S270 WeakPolarHBondContact CA-O 3.26Å; E253-S270 PolarHBondContact N-O 2.89Å; E253-S270 PolarHBondContact O-N 2.74Å; E253-S270 PolarHBondContact OE2-OG 3.46Å; W268-S270 WeakPolarHBondContact CZ3-OG 3.46Å
271	V	97.3	Very high	95.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.6	171.5	62.6	0	0	0	0	108.8	L225 W241 D251 V273 Y281	L225-V271 HydrophobicContact CB-CG1 4.42Å; L225-V271 PolarHBondContact N-O 2.96Å; L225-V271 PolarHBondContact O-N 2.85Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CB 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.51Å; W241-V271 HydrophobicContact CE3-CG1 3.87Å; W241-V271 HydrophobicContact CG-CB 4.13Å; W241-V271 HydrophobicContact CG-CG1 3.76Å; W241-V271 HydrophobicContact CH2-CG1 4.42Å; W241-V271 HydrophobicContact CZ2-CG1 4.13Å; W241-V271 HydrophobicContact CZ3-CG1 4.32Å; D251-V271 HydrophobicContact CB-CG2 4.47Å; V271-V273 HydrophobicContact CG1-CG1 3.85Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.33Å; V271-Y281 HydrophobicContact CG2-CE1 3.96Å
272	V	96.8	Very high	95.5	Very high	74 Å²	74	38.8 Å²	38.8	45%	0.448	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.4	171.2	-175	0	0	0	0	108.1	E222	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	95.9	Very high	95.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.6	-177.9	-49.1	0	0	0	0	110.3	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.41Å; A223-V273 HydrophobicContact CB-CG2 4.44Å; A223-V273 PolarHBondContact N-O 3.03Å; A223-V273 PolarHBondContact O-N 3.49Å; L225-V273 HydrophobicContact CD1-CG1 3.94Å; L225-V273 HydrophobicContact CD1-CG2 4.11Å; L225-V273 HydrophobicContact CG-CG1 4.09Å; L225-V273 HydrophobicContact CG-CG2 3.9Å; V271-V273 HydrophobicContact CG1-CG1 3.85Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.65Å
274	P	95.3	Very high	96	Very high	44 Å²	44	34 Å²	34	29%	0.286	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139	171	-19.1	31.8	0	0	0	111.1	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.47Å; P274-G276 PolarHBondContact O-N 3.39Å; P274-Q277 HydrophobicContact CB-CB 4.45Å; P274-Q277 HydrophobicContact CB-CG 4.21Å; P274-Q277 WeakPolarHBondContact O-CB 3.3Å; P274-Q277 PolarHBondContact O-N 2.9Å
275	S	90.8	Very high	96.1	Very high	56 Å²	56	33.5 Å²	33.5	39%	0.392	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	132.6	178.7	-60.2	0	0	0	0	111.9	H221 E222 Q277 E278	H221-S275 PolarHBondContact O-N 2.95Å; H221-S275 PolarHBondContact O-OG 3.47Å; E222-S275 PolarHBondContact N-OG 2.96Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-E278 WeakPolarHBondContact CA-OE1 3.32Å
276	G	89.5	Confident	96	Very high	68 Å²	68	35 Å²	35	70%	0.701	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	1.3	-175.4	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 3.39Å; G276-E278 WeakPolarHBondContact CA-OE2 3.35Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.74Å; G276-E278 PolarHBondContact N-OE2 3.04Å
277	Q	93.8	Very high	95.9	Very high	60 Å²	60	33.4 Å²	33.4	28%	0.28	18%	0.184	S	C	.	.			trans	-107.3	4.5	175.9	-59.5	-164.6	52.7	0	0	113.7	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.45Å; P274-Q277 HydrophobicContact CB-CG 4.21Å; P274-Q277 WeakPolarHBondContact O-CB 3.3Å; P274-Q277 PolarHBondContact O-N 2.9Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 2.71Å; Q277-Q279 VanDerWaalsContact O-N 3.12Å; Q277-R280 VanDerWaalsContact O-CB 3.3Å; Q277-R280 WeakPolarHBondContact O-CB 3.45Å; Q277-R280 PolarHBondContact O-N 2.74Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.47Å
278	E	93.6	Very high	95.6	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.093	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-55.5	-36	-173.4	-53.6	77.9	-169.7	0	0	112.4	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD2-CB 4.41Å; L225-E278 HydrophobicContact CD2-CG 4.26Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; S275-E278 WeakPolarHBondContact CA-OE1 3.32Å; G276-E278 WeakPolarHBondContact CA-OE2 3.35Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.74Å; G276-E278 PolarHBondContact N-OE2 3.04Å; E278-R280 PolarHBondContact O-N 2.89Å; E278-Y281 PolarHBondContact O-N 3.36Å; E278-W298 HydrophobicContact CB-CD2 4.33Å; E278-W298 HydrophobicContact CB-CE3 3.4Å; E278-W298 VanDerWaalsContact CB-CE3 3.4Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.68Å; E278-W298 HydrophobicContact CG-CZ3 3.68Å
279	Q	93.4	Very high	95.3	Very high	95 Å²	95	35.6 Å²	35.6	44%	0.444	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-67.7	-16.8	-179.8	-61.9	-56.3	-41.3	0	0	114.4	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 2.71Å; Q277-Q279 VanDerWaalsContact O-N 3.12Å; Q279-Y281 VanDerWaalsContact C-N 3.3Å; Q279-W298 PolarHBondContact NE2-O 2.95Å
280	R	95.6	Very high	95.1	Very high	99 Å²	99	36.8 Å²	36.8	37%	0.374	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-76.4	-21.8	173	-60.8	176.2	70.6	169.2	8.5	112.1	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.38Å; R243-R280 HydrophobicContact CG-CB 4.49Å; D244-R280 PolarHBondContact N-O 3.48Å; D244-R280 WeakPolarHBondContact OD1-CB 3.43Å; D244-R280 WeakPolarHBondContact OD1-CG 3.18Å; D244-R280 IonicContact OD1-CZ 2.69Å; D244-R280 IonicContact OD1-NE 3.12Å; D244-R280 PolarHBondContact OD1-NE 3.19Å; D244-R280 IonicContact OD1-NH2 3.85Å; D244-R280 IonicContact OD2-CZ 3.31Å; D244-R280 IonicContact OD2-NE 3.13Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.91Å; Q277-R280 VanDerWaalsContact O-CB 3.3Å; Q277-R280 WeakPolarHBondContact O-CB 3.45Å; Q277-R280 PolarHBondContact O-N 2.74Å; E278-R280 PolarHBondContact O-N 2.89Å
281	Y	96.8	Very high	94.9	Very high	9 Å²	9	42.9 Å²	42.9	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.6	-176.9	-69.1	-101.6	0	0	0	110.9	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.52Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.93Å; R243-Y281 HydrophobicContact CG-CE1 4.32Å; R243-Y281 HydrophobicContact CG-CE2 4.31Å; R243-Y281 PolarHBondContact NH1-OH 3.37Å; Q248-Y281 HydrophobicContact CG-CE1 4.3Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.33Å; V271-Y281 HydrophobicContact CG2-CE1 3.96Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.65Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.47Å; E278-Y281 PolarHBondContact O-N 3.36Å; Q279-Y281 VanDerWaalsContact C-N 3.3Å
282	T	97.5	Very high	94.7	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.2	179.3	37.9	0	0	0	0	109.4	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.33Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; Q242-T282 PolarHBondContact N-O 2.92Å; Q242-T282 PolarHBondContact O-N 3.34Å; Q242-T282 PolarHBondContact O-OG1 2.7Å; T282-H284 PolarHBondContact OG1-NE2 3.08Å; T282-T295 HydrophobicContact CG2-CG2 3.77Å; T282-L296 CarbonylContact C-O 3.51Å; T282-L296 WeakPolarHBondContact CA-O 3.04Å; T282-R297 HydrophobicContact CG2-CG 3.6Å
283	C	97.8	Very high	94.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.5	167.4	175.1	0	0	0	0	109	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 3.41Å; M213-C283 VanDerWaalsContact CE-CB 3.41Å; C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.47Å; C227-C283 WeakPolarHBondContact SG-CB 3.35Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.97Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.2Å; W241-C283 HydrophobicContact CD2-CB 4.17Å; W241-C283 HydrophobicContact CE3-CB 4.12Å; W241-C283 HydrophobicContact CH2-CB 4.19Å; W241-C283 HydrophobicContact CZ2-CB 4.22Å; W241-C283 HydrophobicContact CZ3-CB 4.13Å; C283-T295 WeakPolarHBondContact O-CA 3.41Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 3.48Å; C283-L296 PolarHBondContact O-N 2.8Å
284	H	97.4	Very high	94.6	Very high	49 Å²	49	53.8 Å²	53.8	23%	0.227	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.3	174.3	-60.7	-96.5	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.19Å; T240-H284 PolarHBondContact N-O 2.94Å; T240-H284 PolarHBondContact O-N 3.4Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.4Å; Q242-H284 VanDerWaalsContact CG-NE2 3.31Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.49Å; Q242-H284 PolarHBondContact OE1-NE2 3.49Å; T282-H284 PolarHBondContact OG1-NE2 3.08Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 VanDerWaalsContact CE1-CG2 3.4Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.32Å; H284-T295 PolarHBondContact CE1-OG1 3.18Å; H284-T295 PolarHBondContact ND1-OG1 3.27Å
285	V	97.8	Very high	94.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.8	-177.1	-175.2	0	0	0	0	109.2	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 4.04Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.18Å; T211-V285 HydrophobicContact CG2-CG2 4.06Å; I237-V285 HydrophobicContact CD1-CG1 4.14Å; I237-V285 HydrophobicContact CG1-CG1 4.4Å; T238-V285 WeakPolarHBondContact O-CA 3.35Å; L239-V285 HydrophobicContact CD1-CG1 3.99Å; L239-V285 HydrophobicContact CD1-CG2 4.41Å; L239-V285 HydrophobicContact CG-CG2 4.27Å; V285-L290 HydrophobicContact CB-CD1 4.45Å; V285-L290 HydrophobicContact CG1-CD1 4.03Å; V285-P293 WeakPolarHBondContact O-CA 3.26Å; V285-L294 HydrophobicContact CB-CB 4.38Å; V285-L294 PolarHBondContact N-O 2.91Å; V285-L294 PolarHBondContact O-N 3.31Å; V285-L296 HydrophobicContact CG2-CD1 3.94Å
286	Q	97.1	Very high	94.9	Very high	59 Å²	59	54.5 Å²	54.5	28%	0.276	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.5	174.8	-43.1	-174.3	19.2	0	0	109.2	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; T238-Q286 PolarHBondContact N-O 3.2Å; T238-Q286 PolarHBondContact O-N 3.01Å; Q286-P293 HydrophobicContact CG-CB 4.15Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	95.4	Very high	95.1	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.037	29%	0.293	C	S	.	.			trans	-158.8	148.1	-177.1	-173.5	-100.8	0	0	0	108.9	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.17Å; P209-H287 HydrophobicContact CG-CB 4.04Å; F232-H287 AromaticContact CD2-CD2 3.94Å; F232-H287 AromaticContact CD2-NE2 3.73Å; Y233-H287 PolarHBondContact O-CE1 3.45Å; Y233-H287 VanDerWaalsContact O-CE1 3.25Å; P234-H287 PolarHBondContact O-NE2 3.47Å; E236-H287 PolarHBondContact O-CD2 3.12Å; I237-H287 HydrophobicContact CD1-CB 4.38Å; I237-H287 HydrophobicContact CG1-CB 4.13Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 3.09Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.08Å; H287-L290 WeakPolarHBondContact O-CB 3.2Å; H287-L290 PolarHBondContact O-N 2.91Å
288	E	91.6	Very high	95	Very high	73 Å²	73	58 Å²	58	34%	0.341	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.5	-179.5	-173.8	-177.9	-157.8	0	0	112.2	W23 G25 T206 L290	W23-E288 HydrophobicContact CE3-CB 4.1Å; W23-E288 WeakPolarHBondContact O-CG 3.22Å; G25-E288 PolarHBondContact N-OE1 2.95Å; T206-E288 HydrophobicContact CG2-CB 3.67Å; T206-E288 HydrophobicContact CG2-CG 3.8Å; E288-L290 PolarHBondContact O-N 2.92Å
289	G	92.1	Very high	94.6	Very high	20 Å²	20	65 Å²	65	21%	0.206	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.7	179.9	0	0	0	0	0	114.1	T206 A208 H287	T206-G289 VanDerWaalsContact CG2-CA 3.47Å; A208-G289 WeakPolarHBondContact CB-O 3.25Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 3.09Å
290	L	94.6	Very high	93.9	Very high	24 Å²	24	64.1 Å²	64.1	13%	0.126	32%	0.324	C	S	.	.			trans	-98.4	116.7	177.3	-64.4	174.2	0	0	0	110.1	A208 P209 V285 H287 E288 K292 L294	A208-L290 HydrophobicContact CB-CD2 4.2Å; P209-L290 HydrophobicContact CG-CD1 3.83Å; P209-L290 HydrophobicContact CG-CD2 4.2Å; P209-L290 HydrophobicContact CG-CG 4.06Å; V285-L290 HydrophobicContact CB-CD1 4.45Å; V285-L290 HydrophobicContact CG1-CD1 4.03Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.08Å; H287-L290 WeakPolarHBondContact O-CB 3.2Å; H287-L290 PolarHBondContact O-N 2.91Å; E288-L290 PolarHBondContact O-N 2.92Å; L290-K292 WeakPolarHBondContact CB-O 3.48Å; L290-K292 PolarHBondContact O-N 2.81Å; L290-L294 HydrophobicContact CD1-CD1 4.04Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CG 3.89Å
291	P	92.3	Very high	92.2	Very high	132 Å²	132	64.4 Å²	64.4	86%	0.857	34%	0.341	S	S	*	.	S	Bend	trans	-65.5	-14.6	-179.8	27.8	-35.7	0	0	0	113.3
292	K	93.2	Very high	89.9	Confident	163 Å²	163	69.5 Å²	69.5	71%	0.709	38%	0.378	S	S	*	.	S	Bend	trans	-151.3	149.1	167	-60	-174.3	-177	178.3	0	108.3	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.48Å; L290-K292 PolarHBondContact O-N 2.81Å; K292-L294 PolarHBondContact O-N 3.42Å
293	P	95.2	Very high	87.4	Confident	82 Å²	82	76.9 Å²	76.9	53%	0.532	41%	0.412	S	S	.	.			trans	-49.1	139	170	-30.1	37.2	0	0	0	112.8	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.26Å; Q286-P293 HydrophobicContact CG-CB 4.15Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	96.1	Very high	84.7	Confident	60 Å²	60	82 Å²	82	31%	0.314	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.3	173.8	-65.7	175.5	0	0	0	109.9	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.14Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; V285-L294 HydrophobicContact CB-CB 4.38Å; V285-L294 PolarHBondContact N-O 2.91Å; V285-L294 PolarHBondContact O-N 3.31Å; L290-L294 HydrophobicContact CD1-CD1 4.04Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CG 3.89Å; K292-L294 PolarHBondContact O-N 3.42Å
295	T	96.8	Very high	82.5	Confident	77 Å²	77	86.1 Å²	86.1	47%	0.472	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.6	166.6	-55.5	0	0	0	0	108.6	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.77Å; C283-T295 WeakPolarHBondContact O-CA 3.41Å; H284-T295 VanDerWaalsContact CE1-CG2 3.4Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.32Å; H284-T295 PolarHBondContact CE1-OG1 3.18Å; H284-T295 PolarHBondContact ND1-OG1 3.27Å
296	L	95.4	Very high	80.4	Confident	38 Å²	38	91.1 Å²	91.1	20%	0.199	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.5	-175.4	-61.8	159.8	0	0	0	109.5	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.03Å; M213-L296 HydrophobicContact CE-CB 3.76Å; M213-L296 VanDerWaalsContact CE-O 3.25Å; M213-L296 WeakPolarHBondContact CE-O 3.47Å; T282-L296 CarbonylContact C-O 3.51Å; T282-L296 WeakPolarHBondContact CA-O 3.04Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 3.48Å; C283-L296 PolarHBondContact O-N 2.8Å; V285-L296 HydrophobicContact CG2-CD1 3.94Å
297	R	94	Very high	78.6	Confident	155 Å²	155	92.6 Å²	92.6	59%	0.585	51%	0.514	S	S	*	.			trans	-117.9	159.1	167.1	-73.3	-173.4	174.1	138.1	3.4	109.5	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.6Å; R297-E299 PolarHBondContact O-N 3.22Å
298	W	92.1	Very high	76.9	Confident	47 Å²	47	97.5 Å²	97.5	18%	0.178	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-76	118.1	172.5	171.7	64.8	0	0	0	109.6	M213 H215 L225 E278 Q279 P300	M213-W298 VanDerWaalsContact SD-CA 3.58Å; M213-W298 HydrophobicContact SD-CB 3.84Å; M213-W298 PolarHBondContact SD-N 3.26Å; H215-W298 HydrophobicContact CB-CD2 4.41Å; H215-W298 HydrophobicContact CB-CG 4.47Å; H215-W298 HydrophobicContact CB-CZ2 4.08Å; H215-W298 VanDerWaalsContact CB-NE1 3.34Å; H215-W298 AromaticContact CD2-CE2 3.94Å; H215-W298 AromaticContact CD2-CZ2 3.78Å; H215-W298 AromaticContact CG-CE2 3.89Å; H215-W298 AromaticContact CG-CZ2 3.82Å; L225-W298 HydrophobicContact CD1-CB 4.37Å; L225-W298 HydrophobicContact CD2-CB 3.96Å; L225-W298 HydrophobicContact CD2-CD2 4.3Å; L225-W298 HydrophobicContact CD2-CG 3.92Å; E278-W298 HydrophobicContact CB-CD2 4.33Å; E278-W298 HydrophobicContact CB-CE3 3.4Å; E278-W298 VanDerWaalsContact CB-CE3 3.4Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.68Å; E278-W298 HydrophobicContact CG-CZ3 3.68Å; Q279-W298 PolarHBondContact NE2-O 2.95Å; W298-P300 HydrophobicContact CE3-CG 4.24Å; W298-P300 HydrophobicContact CH2-CB 4.11Å; W298-P300 HydrophobicContact CH2-CG 3.81Å; W298-P300 HydrophobicContact CZ2-CB 4.09Å; W298-P300 HydrophobicContact CZ2-CG 4.14Å; W298-P300 HydrophobicContact CZ3-CG 3.85Å
299	E	84.3	Confident	75.5	Confident	166 Å²	166	100 Å²	100	78%	0.776	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-95	124.3	167.6	-66.3	-172.6	165.1	0	0	109	R297 S301	R297-E299 PolarHBondContact O-N 3.22Å; E299-S301 PolarHBondContact O-N 3.22Å
300	P	77.9	Confident	74.3	Confident	78 Å²	78	101.1 Å²	101.1	51%	0.506	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-57.9	126.7	170.5	-21.1	31.5	0	0	0	109.4	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.24Å; W298-P300 HydrophobicContact CH2-CB 4.11Å; W298-P300 HydrophobicContact CH2-CG 3.81Å; W298-P300 HydrophobicContact CZ2-CB 4.09Å; W298-P300 HydrophobicContact CZ2-CG 4.14Å; W298-P300 HydrophobicContact CZ3-CG 3.85Å; P300-S302 PolarHBondContact O-N 3.2Å
301	S	61.4	Low	73.2	Confident	104 Å²	104	104 Å²	104	73%	0.727	59%	0.586	S	S	*	*			trans	-63.7	107.7	-173.5	49	0	0	0	0	111.1	E299 Q303	E299-S301 PolarHBondContact O-N 3.22Å; S301-Q303 PolarHBondContact O-N 3.16Å
302	S	47.1	Very low	72.4	Confident	117 Å²	117	102.4 Å²	102.4	82%	0.818	57%	0.569	S	S	*	*			trans	-75	53.8	175.8	54.2	0	0	0	0	111.8	P300 P304	P300-S302 PolarHBondContact O-N 3.2Å; S302-P304 WeakPolarHBondContact O-CD 3.28Å; S302-P304 VanDerWaalsContact O-N 3.11Å
303	Q	45.8	Very low	71.5	Confident	162 Å²	162	96.9 Å²	96.9	76%	0.757	55%	0.553	S	S	*	*			trans	-57.6	115.7	158.2	-75.1	-167.1	-13.6	0	0	106.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.16Å; Q303-T305 PolarHBondContact O-N 3.49Å
304	P	42	Very low	70.8	Confident	108 Å²	108	94.8 Å²	94.8	70%	0.701	55%	0.547	S	S	*	.			trans	-65.1	116.9	173.5	27.3	-31.6	0	0	0	106.5	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.28Å; S302-P304 VanDerWaalsContact O-N 3.11Å; P304-I306 PolarHBondContact O-N 3.14Å
305	T	50.3	Low	70.2	Confident	135 Å²	135	97.6 Å²	97.6	83%	0.828	56%	0.562	S	S	*	*			trans	-65.8	83	170.9	-47.3	0	0	0	0	107.7	Q303 P307	Q303-T305 PolarHBondContact O-N 3.49Å; T305-P307 WeakPolarHBondContact O-CD 3.17Å; T305-P307 VanDerWaalsContact O-N 3.08Å
306	I	54.6	Low	69.5	Low	106 Å²	106	98.7 Å²	98.7	54%	0.544	57%	0.568	S	S	.	*			trans	-50.6	121	175.7	-63.7	176.2	0	0	0	105.4	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.14Å; I306-I308 HydrophobicContact CG2-CG1 4.44Å; I306-I308 PolarHBondContact O-N 3.01Å; I306-I311 HydrophobicContact CG2-CD1 3.66Å
307	P	57.6	Low	68.8	Low	89 Å²	89	102.6 Å²	102.6	58%	0.578	59%	0.589	S	S	*	*			trans	-76.2	75.6	-172.7	30	-35	0	0	0	108.9	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.17Å; T305-P307 VanDerWaalsContact O-N 3.08Å; P307-V309 PolarHBondContact O-N 3.37Å; P307-G310 CarbonylContact O-C 3.59Å; P307-G310 WeakPolarHBondContact O-CA 3.5Å; P307-G310 PolarHBondContact O-N 3.35Å; P307-I311 PolarHBondContact O-N 3.15Å
308	I	60.7	Low	68.2	Low	112 Å²	112	102.5 Å²	102.5	57%	0.574	59%	0.593	S	S	*	*	H	α-helix	trans	-53.9	-38.4	179.8	-69.4	162.2	0	0	0	109.5	I306 G310 I311 I312	I306-I308 HydrophobicContact CG2-CG1 4.44Å; I306-I308 PolarHBondContact O-N 3.01Å; I308-G310 PolarHBondContact O-N 2.93Å; I308-I311 PolarHBondContact O-N 2.96Å; I308-I312 HydrophobicContact CG2-CD1 3.66Å; I308-I312 HydrophobicContact CG2-CG1 4.36Å; I308-I312 WeakPolarHBondContact O-CB 3.45Å; I308-I312 WeakPolarHBondContact O-CG1 3.37Å; I308-I312 PolarHBondContact O-N 3.17Å
309	V	61.6	Low	67.6	Low	124 Å²	124	102.2 Å²	102.2	75%	0.752	60%	0.604	S	S	*	*	H	α-helix	trans	-59.2	-42.6	172.4	-174.5	0	0	0	0	112.2	P307 A313	P307-V309 PolarHBondContact O-N 3.37Å; V309-A313 VanDerWaalsContact O-CB 3.27Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.33Å
310	G	67.3	Low	67.4	Low	44 Å²	44	97.3 Å²	97.3	45%	0.454	59%	0.592	S	S	.	*	H	α-helix	trans	-69.8	-38.7	177.4	0	0	0	0	0	113	P307 I308 G314	P307-G310 CarbonylContact O-C 3.59Å; P307-G310 WeakPolarHBondContact O-CA 3.5Å; P307-G310 PolarHBondContact O-N 3.35Å; I308-G310 PolarHBondContact O-N 2.93Å; G310-G314 PolarHBondContact O-N 3.5Å
311	I	72.5	Confident	67.6	Low	86 Å²	86	98.7 Å²	98.7	44%	0.441	60%	0.598	S	S	.	*	H	α-helix	trans	-65.6	-45.4	174.4	-62.8	173.4	0	0	0	110.3	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.66Å; P307-I311 PolarHBondContact O-N 3.15Å; I308-I311 PolarHBondContact O-N 2.96Å; I311-G314 PolarHBondContact O-N 3.33Å; I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 2.93Å
312	I	73.6	Confident	68.5	Low	97 Å²	97	100.2 Å²	100.2	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-61.8	-47.6	175.8	-70.2	167.6	0	0	0	110.7	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.66Å; I308-I312 HydrophobicContact CG2-CG1 4.36Å; I308-I312 WeakPolarHBondContact O-CB 3.45Å; I308-I312 WeakPolarHBondContact O-CG1 3.37Å; I308-I312 PolarHBondContact O-N 3.17Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 2.7Å; I312-L315 PolarHBondContact O-N 2.69Å; I312-V316 HydrophobicContact CG2-CG2 4.35Å; I312-V316 WeakPolarHBondContact O-CB 3.36Å; I312-V316 VanDerWaalsContact O-CG2 3.31Å; I312-V316 WeakPolarHBondContact O-CG2 3.45Å; I312-V316 PolarHBondContact O-N 2.79Å
313	A	75.3	Confident	70	Confident	47 Å²	47	97.3 Å²	97.3	39%	0.388	58%	0.575	S	S	.	*	H	α-helix	trans	-60.1	-42.6	177.4	0	0	0	0	0	112	V309 V316 L317	V309-A313 VanDerWaalsContact O-CB 3.27Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.33Å; A313-V316 PolarHBondContact O-N 3.27Å; A313-L317 WeakPolarHBondContact O-CB 3.45Å; A313-L317 WeakPolarHBondContact O-CG 3.48Å; A313-L317 PolarHBondContact O-N 2.91Å
314	G	79.8	Confident	71.4	Confident	38 Å²	38	91.6 Å²	91.6	39%	0.392	56%	0.56	S	S	.	*	H	α-helix	trans	-61	-46.6	174.4	0	0	0	0	0	112.8	G310 I311 I312 L317 F318	G310-G314 PolarHBondContact O-N 3.5Å; I311-G314 PolarHBondContact O-N 3.33Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 2.7Å; G314-L317 PolarHBondContact O-N 3.39Å; G314-F318 WeakPolarHBondContact O-CB 3.49Å; G314-F318 PolarHBondContact O-N 3.48Å
315	L	84.2	Confident	73.2	Confident	120 Å²	120	89.2 Å²	89.2	63%	0.628	55%	0.549	S	S	*	.	H	α-helix	trans	-64.6	-40.3	177.6	-72.9	170.2	0	0	0	112.6	I311 I312 F318 G319	I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 2.93Å; I312-L315 PolarHBondContact O-N 2.69Å; L315-F318 PolarHBondContact O-N 3.21Å; L315-G319 PolarHBondContact O-N 2.87Å
316	V	82.9	Confident	74.6	Confident	100 Å²	100	86.3 Å²	86.3	61%	0.606	53%	0.531	S	S	*	.	H	α-helix	trans	-64.7	-44.8	176.1	169.8	0	0	0	0	111	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.35Å; I312-V316 WeakPolarHBondContact O-CB 3.36Å; I312-V316 VanDerWaalsContact O-CG2 3.31Å; I312-V316 WeakPolarHBondContact O-CG2 3.45Å; I312-V316 PolarHBondContact O-N 2.79Å; A313-V316 PolarHBondContact O-N 3.27Å; V316-G319 PolarHBondContact O-N 2.77Å; V316-A320 WeakPolarHBondContact O-CB 3.26Å; V316-A320 PolarHBondContact O-N 2.76Å
317	L	81.1	Confident	75.6	Confident	120 Å²	120	85.7 Å²	85.7	63%	0.628	53%	0.532	S	S	*	.	H	α-helix	trans	-62.1	-45.4	175	-76.2	167.2	0	0	0	111.8	A313 G314 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.45Å; A313-L317 WeakPolarHBondContact O-CG 3.48Å; A313-L317 PolarHBondContact O-N 2.91Å; G314-L317 PolarHBondContact O-N 3.39Å; L317-A320 PolarHBondContact O-N 3.11Å; L317-V321 WeakPolarHBondContact O-CG2 3.31Å; L317-V321 PolarHBondContact O-N 2.83Å
318	F	79.9	Confident	76.4	Confident	153 Å²	153	84.2 Å²	84.2	67%	0.671	53%	0.528	S	S	*	.	H	α-helix	trans	-64.5	-42.3	179.7	-152.4	-86.6	0	0	0	111.6	G314 L315 V321 F322	G314-F318 WeakPolarHBondContact O-CB 3.49Å; G314-F318 PolarHBondContact O-N 3.48Å; L315-F318 PolarHBondContact O-N 3.21Å; F318-V321 PolarHBondContact O-N 2.88Å; F318-F322 WeakPolarHBondContact O-CB 3.33Å; F318-F322 PolarHBondContact O-N 2.92Å
319	G	80.4	Confident	77	Confident	40 Å²	40	81.6 Å²	81.6	41%	0.412	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-42.2	174	0	0	0	0	0	113	L315 V316 F322 A323	L315-G319 PolarHBondContact O-N 2.87Å; V316-G319 PolarHBondContact O-N 2.77Å; G319-F322 PolarHBondContact O-N 3.49Å; G319-A323 VanDerWaalsContact O-CB 3.3Å; G319-A323 WeakPolarHBondContact O-CB 3.36Å; G319-A323 PolarHBondContact O-N 3.19Å
320	A	80.1	Confident	77.6	Confident	63 Å²	63	79.5 Å²	79.5	52%	0.521	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-43.7	176.6	0	0	0	0	0	112.4	V316 L317 G324	V316-A320 WeakPolarHBondContact O-CB 3.26Å; V316-A320 PolarHBondContact O-N 2.76Å; L317-A320 PolarHBondContact O-N 3.11Å; A320-G324 PolarHBondContact O-N 2.77Å
321	V	82.4	Confident	77.7	Confident	107 Å²	107	86.7 Å²	86.7	65%	0.648	52%	0.523	S	S	*	.	H	α-helix	trans	-63.5	-44.2	175.2	171.4	0	0	0	0	111	L317 F318 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.31Å; L317-V321 PolarHBondContact O-N 2.83Å; F318-V321 PolarHBondContact O-N 2.88Å; V321-G324 PolarHBondContact O-N 3.37Å; V321-A325 WeakPolarHBondContact O-CB 3.38Å; V321-A325 PolarHBondContact O-N 3.35Å
322	F	79.5	Confident	77.6	Confident	137 Å²	137	92.2 Å²	92.2	60%	0.601	54%	0.539	S	S	*	.	H	α-helix	trans	-65.4	-43.6	179.7	-159.4	-88.7	0	0	0	111.9	F318 G319 G324 A325 V326	F318-F322 WeakPolarHBondContact O-CB 3.33Å; F318-F322 PolarHBondContact O-N 2.92Å; G319-F322 PolarHBondContact O-N 3.49Å; F322-G324 PolarHBondContact O-N 3.44Å; F322-A325 PolarHBondContact O-N 3.44Å; F322-V326 HydrophobicContact CD1-CG2 4.01Å; F322-V326 HydrophobicContact CE1-CG2 3.9Å; F322-V326 WeakPolarHBondContact O-CG2 3.38Å; F322-V326 PolarHBondContact O-N 3.21Å
323	A	77.8	Confident	77.2	Confident	55 Å²	55	97.1 Å²	97.1	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-61	-43.8	173.6	0	0	0	0	0	111.9	G319 A325 V326 V327	G319-A323 VanDerWaalsContact O-CB 3.3Å; G319-A323 WeakPolarHBondContact O-CB 3.36Å; G319-A323 PolarHBondContact O-N 3.19Å; A323-A325 PolarHBondContact O-N 3.17Å; A323-V326 PolarHBondContact O-N 3.42Å; A323-V327 WeakPolarHBondContact O-CG2 3.41Å; A323-V327 PolarHBondContact O-N 3.07Å
324	G	77.2	Confident	76.5	Confident	42 Å²	42	103.9 Å²	103.9	43%	0.433	57%	0.566	S	S	.	*	H	α-helix	trans	-59.8	-44.4	174.7	0	0	0	0	0	112.9	A320 V321 F322 V327 A328	A320-G324 PolarHBondContact O-N 2.77Å; V321-G324 PolarHBondContact O-N 3.37Å; F322-G324 PolarHBondContact O-N 3.44Å; G324-V327 PolarHBondContact O-N 2.94Å; G324-A328 WeakPolarHBondContact O-CB 3.32Å; G324-A328 PolarHBondContact O-N 2.83Å
325	A	78.7	Confident	75.3	Confident	58 Å²	58	110.6 Å²	110.6	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-63.9	-42.6	176.6	0	0	0	0	0	112.4	V321 F322 A323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.38Å; V321-A325 PolarHBondContact O-N 3.35Å; F322-A325 PolarHBondContact O-N 3.44Å; A323-A325 PolarHBondContact O-N 3.17Å; A325-A328 PolarHBondContact O-N 2.96Å; A325-A329 WeakPolarHBondContact O-CB 3.44Å; A325-A329 PolarHBondContact O-N 2.71Å
326	V	78.8	Confident	73.8	Confident	74 Å²	74	108.3 Å²	108.3	45%	0.448	58%	0.579	S	S	.	*	H	α-helix	trans	-63	-45.6	175.2	170.2	0	0	0	0	111.1	F322 A323 A328 A329 V330	F322-V326 HydrophobicContact CD1-CG2 4.01Å; F322-V326 HydrophobicContact CE1-CG2 3.9Å; F322-V326 WeakPolarHBondContact O-CG2 3.38Å; F322-V326 PolarHBondContact O-N 3.21Å; A323-V326 PolarHBondContact O-N 3.42Å; V326-A328 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 2.98Å; V326-A329 PolarHBondContact O-N 3.34Å; V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.38Å; V326-V330 WeakPolarHBondContact O-CG2 3.19Å; V326-V330 PolarHBondContact O-N 3.12Å
327	V	77.5	Confident	72.4	Confident	94 Å²	94	107.2 Å²	107.2	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-61.9	-41.9	176.6	170	0	0	0	0	111.2	A323 G324 R331	A323-V327 WeakPolarHBondContact O-CG2 3.41Å; A323-V327 PolarHBondContact O-N 3.07Å; G324-V327 PolarHBondContact O-N 2.94Å; V327-R331 VanDerWaalsContact O-CB 3.27Å; V327-R331 WeakPolarHBondContact O-CB 3.15Å; V327-R331 PolarHBondContact O-N 3.16Å
328	A	73.3	Confident	70.7	Confident	58 Å²	58	108.6 Å²	108.6	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-62.4	-45.9	175.1	0	0	0	0	0	112.1	G324 A325 V326 R331 W332	G324-A328 WeakPolarHBondContact O-CB 3.32Å; G324-A328 PolarHBondContact O-N 2.83Å; A325-A328 PolarHBondContact O-N 2.96Å; V326-A328 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 2.98Å; A328-R331 PolarHBondContact O-N 3.39Å; A328-W332 WeakPolarHBondContact O-CB 2.85Å; A328-W332 PolarHBondContact O-N 3.16Å
329	A	73.3	Confident	69.2	Low	56 Å²	56	112.2 Å²	112.2	46%	0.463	59%	0.593	S	S	.	*	H	α-helix	trans	-64.9	-40.5	178.6	0	0	0	0	0	112.8	A325 V326 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.44Å; A325-A329 PolarHBondContact O-N 2.71Å; V326-A329 PolarHBondContact O-N 3.34Å; A329-W332 PolarHBondContact O-N 3.01Å; A329-R333 PolarHBondContact O-N 2.93Å
330	V	73.3	Confident	67.3	Low	81 Å²	81	120 Å²	120	49%	0.491	62%	0.615	S	S	.	*	H	α-helix	trans	-65.4	-40.9	174.1	170.4	0	0	0	0	111.1	V326 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.38Å; V326-V330 WeakPolarHBondContact O-CG2 3.19Å; V326-V330 PolarHBondContact O-N 3.12Å; V330-R333 PolarHBondContact O-N 2.84Å; V330-R334 PolarHBondContact O-N 2.8Å
331	R	70.8	Confident	65.2	Low	194 Å²	194	120.8 Å²	120.8	73%	0.732	63%	0.629	S	S	*	*	H	α-helix	trans	-68.7	-34.8	177.4	-161.7	171.8	-172.9	124.4	-0.1	112	V327 A328 K335	V327-R331 VanDerWaalsContact O-CB 3.27Å; V327-R331 WeakPolarHBondContact O-CB 3.15Å; V327-R331 PolarHBondContact O-N 3.16Å; A328-R331 PolarHBondContact O-N 3.39Å; R331-K335 WeakPolarHBondContact O-CB 3.16Å; R331-K335 PolarHBondContact O-N 2.61Å; R331-K335 VanDerWaalsContact O-N 3.09Å
332	W	70.1	Confident	62.8	Low	202 Å²	202	119.6 Å²	119.6	77%	0.765	64%	0.639	S	S	*	*	H	α-helix	trans	-63.9	-49.8	169.5	-164.8	-43.6	0	0	0	110.8	A328 A329 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 2.85Å; A328-W332 PolarHBondContact O-N 3.16Å; A329-W332 PolarHBondContact O-N 3.01Å; W332-R334 PolarHBondContact O-N 3.39Å; W332-K335 CarbonylContact O-C 3.53Å; W332-K335 PolarHBondContact O-N 3.03Å; W332-S336 PolarHBondContact O-N 3.15Å; W332-S336 PolarHBondContact O-OG 2.98Å
333	R	65.3	Low	60.5	Low	201 Å²	201	118.4 Å²	118.4	76%	0.758	65%	0.648	S	S	*	*	H	α-helix	trans	-55.4	-47.8	178	-84.3	-170.7	173.2	-173.1	-0.8	112.1	A329 V330 K335 S336 S337	A329-R333 PolarHBondContact O-N 2.93Å; V330-R333 PolarHBondContact O-N 2.84Å; R333-K335 PolarHBondContact O-N 2.93Å; R333-S336 WeakPolarHBondContact CA-OG 3.29Å; R333-S336 PolarHBondContact O-N 2.92Å; R333-S336 VanDerWaalsContact O-N 3.09Å; R333-S336 PolarHBondContact O-OG 2.94Å; R333-S337 PolarHBondContact O-N 3.23Å; R333-S337 PolarHBondContact O-OG 3.44Å
334	R	59.8	Low	58.4	Low	188 Å²	188	126.2 Å²	126.2	71%	0.709	67%	0.667	S	S	*	*	H	α-helix	trans	-58.1	-43.3	173.5	-87.2	-175.2	167.3	171	-3.4	112.7	V330 W332 S336 S337	V330-R334 PolarHBondContact O-N 2.8Å; W332-R334 PolarHBondContact O-N 3.39Å; R334-S336 PolarHBondContact O-N 2.72Å; R334-S337 PolarHBondContact O-N 3.01Å; R334-S337 PolarHBondContact O-OG 3.14Å
335	K	54.8	Low	56.4	Low	179 Å²	179	129.1 Å²	129.1	78%	0.778	68%	0.681	S	S	*	*	H	α-helix	trans	-68	-20.1	177.1	-160.8	176.2	-177.3	-177.2	0	113.5	R331 W332 R333	R331-K335 WeakPolarHBondContact O-CB 3.16Å; R331-K335 PolarHBondContact O-N 2.61Å; R331-K335 VanDerWaalsContact O-N 3.09Å; W332-K335 CarbonylContact O-C 3.53Å; W332-K335 PolarHBondContact O-N 3.03Å; R333-K335 PolarHBondContact O-N 2.93Å
336	S	53.2	Low	54.2	Low	73 Å²	73	135.1 Å²	135.1	51%	0.51	70%	0.699	S	S	.	*	H	α-helix	trans	-88.8	-25	173.8	59.7	0	0	0	0	114.6	W332 R333 R334	W332-S336 PolarHBondContact O-N 3.15Å; W332-S336 PolarHBondContact O-OG 2.98Å; R333-S336 WeakPolarHBondContact CA-OG 3.29Å; R333-S336 PolarHBondContact O-N 2.92Å; R333-S336 VanDerWaalsContact O-N 3.09Å; R333-S336 PolarHBondContact O-OG 2.94Å; R334-S336 PolarHBondContact O-N 2.72Å
337	S	52.3	Low	52.1	Low	77 Å²	77	136.3 Å²	136.3	54%	0.538	72%	0.716	S	S	.	*	H	α-helix	trans	-73.2	-32.8	178	48.9	0	0	0	0	113.2	R333 R334 R339	R333-S337 PolarHBondContact O-N 3.23Å; R333-S337 PolarHBondContact O-OG 3.44Å; R334-S337 PolarHBondContact O-N 3.01Å; R334-S337 PolarHBondContact O-OG 3.14Å; S337-R339 PolarHBondContact O-N 3.42Å
338	D	47.3	Very low	50	Low	149 Å²	149	136.5 Å²	136.5	80%	0.797	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	6.6	-178.1	-71.6	-12.3	0	0	0	114.8
339	R	48	Very low	48.2	Very low	228 Å²	228	139.2 Å²	139.2	86%	0.86	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	8.6	-171.8	-145.1	-179.5	176.5	172.8	0.1	116.6	S337	S337-R339 PolarHBondContact O-N 3.42Å
340	K	39.5	Very low	46.4	Very low	204 Å²	204	142.3 Å²	142.3	89%	0.887	76%	0.761	S	S	*	*			trans	-144.7	116.2	169.7	-80.3	-165.9	172.2	-174.5	0	112.9
341	G	35.5	Very low	44.6	Very low	79 Å²	79	145.6 Å²	145.6	81%	0.814	78%	0.776	S	S	*	*			trans	-132.2	145.8	163.9	0	0	0	0	0	110.4
342	G	32.7	Very low	43.2	Very low	82 Å²	82	142.5 Å²	142.5	85%	0.845	79%	0.785	S	S	*	*			trans	78.4	149.7	-173.5	0	0	0	0	0	113.9
343	S	32.4	Very low	41.7	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	79%	0.785	S	S	*	*			cis	-154.8	-175.6	-4.3	-160.8	0	0	0	0	111
344	Y	32.7	Very low	40.5	Very low	218 Å²	218	137.3 Å²	137.3	86%	0.855	79%	0.793	S	S	*	*			trans	-55.9	169	179.6	-65.7	-107.3	0	0	0	113.9
345	S	34.9	Very low	39.3	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	80%	0.796	S	S	*	*			cis	-162.2	150.5	33.6	-47.5	0	0	0	0	116.4
346	Q	33.4	Very low	38.6	Very low	184 Å²	184	129.6 Å²	129.6	86%	0.86	80%	0.803	S	S	*	*				55.9	102.4	127.6	-161.2	166.4	0.7	0	0	124.8
347	A	34.9	Very low	37.9	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	81%	0.814	S	S	*	*				42.2	123.5	128.2	0	0	0	0	0	125.8
348	A	33.1	Very low	37	Very low	98 Å²	98	136.7 Å²	136.7	81%	0.81	83%	0.826	S	S	*	*				-174.9	133.2	129	0	0	0	0	0	107.7
349	S	34.5	Very low	36.5	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	82%	0.818	S	S	*	*			cis	91.8	100.9	38.8	-167.2	0	0	0	0	114.7
350	S	35.3	Very low	36	Very low	120 Å²	120	130.3 Å²	130.3	84%	0.839	82%	0.815	S	S	*	*			trans	-163.9	141.9	146.4	53.9	0	0	0	0	111.5
351	D	36.3	Very low	36	Very low	150 Å²	150	126.9 Å²	126.9	80%	0.802	81%	0.811	S	S	*	*			trans	-92	162	-177.9	-72.4	-67.5	0	0	0	113.9
352	S	42.2	Very low	36	Very low	130 Å²	130	127.3 Å²	127.3	91%	0.909	81%	0.808	S	S	*	*			trans	-156.3	126.1	149	-74.5	0	0	0	0	108.6
353	A	38.5	Very low	36.4	Very low	94 Å²	94	129.4 Å²	129.4	78%	0.777	81%	0.807	S	S	*	*			trans	-131.2	137.9	-165.3	0	0	0	0	0	114.3
354	Q	40	Very low	36.8	Very low	199 Å²	199	133 Å²	133	93%	0.93	81%	0.809	S	S	*	*			trans	-170	132.7	154.3	-101.4	159.9	7.7	0	0	105
355	G	34.1	Very low	37.4	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	83%	0.826	S	S	*	*			cis	94.3	115.4	26.8	0	0	0	0	0	107.8
356	S	39.7	Very low	37.5	Very low	132 Å²	132	133.7 Å²	133.7	92%	0.923	83%	0.832	S	S	*	*			cis	-140	-165.4	41.7	48.8	0	0	0	0	114.7
357	D	38.2	Very low	37.7	Very low	140 Å²	140	131.1 Å²	131.1	75%	0.749	83%	0.83	S	S	*	*			trans	-136.2	177.4	-157.7	-172.1	16.4	0	0	0	112.1
358	M	33.7	Very low	37.8	Very low	158 Å²	158	132.8 Å²	132.8	78%	0.778	83%	0.831	S	S	*	*			trans	77.4	148.5	168.4	-59.5	-153.1	-176.5	0	0	118.3
359	S	37	Very low	38.1	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	83%	0.832	S	S	*	*			cis	-164.5	169.6	-13.4	-105.8	0	0	0	0	112.4
360	L	37.9	Very low	38.3	Very low	152 Å²	152	136.1 Å²	136.1	80%	0.796	83%	0.834	S	S	*	*			trans	-2.1	142.1	147.3	-57.5	161.2	0	0	0	116.3
361	T	38.1	Very low	38.6	Very low	132 Å²	132	137.1 Å²	137.1	81%	0.81	83%	0.833	S	S	*	*			cis	-169.6	-173.2	39.4	-17.1	0	0	0	0	107.4
362	A	36.9	Very low	38.7	Very low	89 Å²	89	136.2 Å²	136.2	74%	0.736	84%	0.835	S	S	*	*			cis	-155.8	-168.8	3.5	0	0	0	0	0	110.2
363	C	40.4	Very low	38.5	Very low	125 Å²	125	136.7 Å²	136.7	85%	0.845	83%	0.83	S	S	*	*			trans	-108	158.5	170.3	-66.4	0	0	0	0	112.9
364	K	40.9	Very low	38.4	Very low	190 Å²	190	140.3 Å²	140.3	83%	0.826	83%	0.834	S	S	*	*			trans	75.2	113.5	146.1	-159.4	178.3	-170.2	-178.2	0	119.6
365	V	44.3	Very low	38.3	Very low	201 Å²	201	134.9 Å²	134.9	100%	1.218	83%	0.825	S	S	*	*				-112.4	0	114	173.2	0	0	0	0	106.3

Retrieved 365 of 365 residues in 99.4 ms (Link to these results)

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