A0A060DAH3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060DAH3, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 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	34.1	Very low	41.3	Very low	241 Å²	241	138.5 Å²	138.5	100%	1.187	74%	0.743	S	S	*	*				0	104.1	0	-77.2	175	-123.8	0	0	107.1	V3	M1-V3 PolarHBondContact O-N 3.25Å
2	L	33.6	Very low	41.5	Very low	176 Å²	176	138.1 Å²	138.1	92%	0.921	74%	0.739	S	S	*	*			trans	-75.4	117.3	177	-85.9	151.2	0	0	0	107.9	M4	L2-M4 PolarHBondContact O-N 3.45Å
3	V	35.3	Very low	41.5	Very low	139 Å²	139	135.3 Å²	135.3	84%	0.842	72%	0.724	S	S	*	*			trans	-69.8	112.2	178.1	177.5	0	0	0	0	107.9	M1 A5	M1-V3 PolarHBondContact O-N 3.25Å; V3-A5 PolarHBondContact O-N 3.39Å
4	M	39.3	Very low	41.6	Very low	161 Å²	161	129.9 Å²	129.9	79%	0.793	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71.4	116.2	170.6	-76.5	175	54.4	0	0	109	L2	L2-M4 PolarHBondContact O-N 3.45Å
5	A	37.3	Very low	41.4	Very low	82 Å²	82	124.5 Å²	124.5	68%	0.678	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-65.5	147.3	167.9	0	0	0	0	0	110.4	V3 R7	V3-A5 PolarHBondContact O-N 3.39Å; A5-R7 PolarHBondContact O-N 3.38Å
6	P	42.8	Very low	41.4	Very low	84 Å²	84	120.3 Å²	120.3	55%	0.545	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-73.1	125.2	-175.3	20.4	-14.5	0	0	0	110.5	T8 V9	P6-T8 PolarHBondContact O-N 3.2Å; P6-V9 HydrophobicContact CG-CG2 4.26Å; P6-V9 PolarHBondContact O-N 2.97Å
7	R	49	Very low	41.4	Very low	208 Å²	208	119.4 Å²	119.4	79%	0.785	66%	0.662	S	S	*	*	H	α-helix	trans	-55.3	-14.8	-179.7	-86.3	176.9	161.5	145.9	-5.3	115	A5	A5-R7 PolarHBondContact O-N 3.38Å
8	T	46.4	Very low	41.2	Very low	99 Å²	99	115.5 Å²	115.5	61%	0.607	65%	0.648	S	S	*	*	H	α-helix	trans	-78.1	-32.2	179.2	33.9	0	0	0	0	113.8	P6 L10 L11	P6-T8 PolarHBondContact O-N 3.2Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L11 PolarHBondContact O-N 3.4Å
9	V	45.9	Very low	41	Very low	84 Å²	84	116.1 Å²	116.1	51%	0.509	65%	0.648	S	S	.	*	H	α-helix	trans	-72.2	-31.1	177.1	179.2	0	0	0	0	111.1	P6 L11 L13	P6-V9 HydrophobicContact CG-CG2 4.26Å; P6-V9 PolarHBondContact O-N 2.97Å; V9-L11 PolarHBondContact O-N 2.66Å; V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 PolarHBondContact O-N 3.49Å
10	L	43.7	Very low	41.1	Very low	130 Å²	130	114.3 Å²	114.3	68%	0.681	64%	0.641	S	S	*	*	H	α-helix	trans	-69.8	-30.6	178.7	-141.4	83.9	0	0	0	112.8	T8 S14	T8-L10 VanDerWaalsContact C-N 3.32Å; L10-S14 PolarHBondContact O-N 2.62Å; L10-S14 VanDerWaalsContact O-N 3.14Å; L10-S14 PolarHBondContact O-OG 2.8Å
11	L	47.3	Very low	41	Very low	119 Å²	119	116.5 Å²	116.5	62%	0.623	65%	0.646	S	S	*	*	H	α-helix	trans	-76	-35.4	179.9	-79.1	164.5	0	0	0	112.9	T8 V9 S14 A15	T8-L11 PolarHBondContact O-N 3.4Å; V9-L11 PolarHBondContact O-N 2.66Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.29Å; L11-S14 PolarHBondContact O-N 2.64Å; L11-S14 PolarHBondContact O-OG 2.99Å; L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 2.69Å
12	L	43	Very low	41.4	Very low	134 Å²	134	109.4 Å²	109.4	70%	0.702	62%	0.616	S	S	*	*	H	α-helix	trans	-72.2	-38.4	175.6	-72.8	167.1	0	0	0	111.9	S14 A15 A16	L12-S14 VanDerWaalsContact C-N 3.34Å; L12-A15 PolarHBondContact O-N 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 2.89Å
13	L	41.7	Very low	42.2	Very low	102 Å²	102	109.2 Å²	109.2	53%	0.534	60%	0.603	S	S	.	*	H	α-helix	trans	-65.9	-35.7	173.3	-77.5	165.1	0	0	0	112.2	V9 L17	V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 PolarHBondContact O-N 3.49Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CD1 3.33Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.49Å
14	S	42.4	Very low	43.4	Very low	59 Å²	59	105.4 Å²	105.4	41%	0.413	59%	0.587	S	S	.	*	H	α-helix	trans	-75.3	-29.1	175.8	37.7	0	0	0	0	113.1	L10 L11 L12 A18	L10-S14 PolarHBondContact O-N 2.62Å; L10-S14 VanDerWaalsContact O-N 3.14Å; L10-S14 PolarHBondContact O-OG 2.8Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.29Å; L11-S14 PolarHBondContact O-N 2.64Å; L11-S14 PolarHBondContact O-OG 2.99Å; L12-S14 VanDerWaalsContact C-N 3.34Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.14Å
15	A	39.1	Very low	45.3	Very low	50 Å²	50	98.9 Å²	98.9	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-69.3	-42	169.8	0	0	0	0	0	112.2	L11 L12 A18 L19	L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 2.69Å; L12-A15 PolarHBondContact O-N 3.3Å; A15-A18 PolarHBondContact O-N 3.18Å; A15-L19 PolarHBondContact O-N 3.05Å; A15-L19 VanDerWaalsContact O-N 3.07Å
16	A	42.2	Very low	48	Very low	57 Å²	57	96.3 Å²	96.3	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-66.6	-40.5	175.8	0	0	0	0	0	112.3	L12 T20	L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 2.89Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.04Å
17	L	40.1	Very low	50.6	Low	105 Å²	105	93.7 Å²	93.7	55%	0.55	52%	0.518	S	S	.	.	H	α-helix	trans	-69	-37.1	174.4	-77.6	161.7	0	0	0	112.5	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CD1 3.33Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.49Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.02Å; L17-T20 WeakPolarHBondContact CA-OG1 3.46Å; L17-T20 PolarHBondContact O-N 2.99Å; L17-T20 VanDerWaalsContact O-N 3.16Å; L17-T20 PolarHBondContact O-OG1 2.88Å; L17-E21 PolarHBondContact O-N 3.04Å
18	A	38.8	Very low	52.9	Low	49 Å²	49	85 Å²	85	41%	0.405	49%	0.489	S	S	.	.	H	α-helix	trans	-67.1	-32.1	176.6	0	0	0	0	0	112.8	S14 A15 T22	S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.14Å; A15-A18 PolarHBondContact O-N 3.18Å; A18-T22 WeakPolarHBondContact O-CB 3.36Å; A18-T22 VanDerWaalsContact O-CG2 3.25Å; A18-T22 WeakPolarHBondContact O-CG2 3.11Å; A18-T22 PolarHBondContact O-N 3.37Å; A18-T22 PolarHBondContact O-OG1 2.95Å
19	L	36.8	Very low	55.4	Low	126 Å²	126	80.3 Å²	80.3	66%	0.66	46%	0.46	S	S	*	.	H	α-helix	trans	-69.1	-33.7	171.2	-91.7	144.2	0	0	0	112.2	A15 L17	A15-L19 PolarHBondContact O-N 3.05Å; A15-L19 VanDerWaalsContact O-N 3.07Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.02Å
20	T	42.6	Very low	57.9	Low	80 Å²	80	78.9 Å²	78.9	49%	0.491	45%	0.446	S	S	.	.	H	α-helix	trans	-77.3	-31.1	176.9	53.9	0	0	0	0	114.3	A16 L17	A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.04Å; L17-T20 WeakPolarHBondContact CA-OG1 3.46Å; L17-T20 PolarHBondContact O-N 2.99Å; L17-T20 VanDerWaalsContact O-N 3.16Å; L17-T20 PolarHBondContact O-OG1 2.88Å
21	E	40	Very low	60.6	Low	162 Å²	162	73.3 Å²	73.3	76%	0.757	42%	0.416	S	S	*	.	H	α-helix	trans	-84.5	-19.7	-177.6	-94.5	-175	161.3	0	0	114.3	L17	L17-E21 PolarHBondContact O-N 3.04Å
22	T	43.3	Very low	63	Low	91 Å²	91	71.7 Å²	71.7	56%	0.558	40%	0.404	S	S	*	.	S	Bend	trans	-86	-13.4	-168.1	42.9	0	0	0	0	115.4	A18	A18-T22 WeakPolarHBondContact O-CB 3.36Å; A18-T22 VanDerWaalsContact O-CG2 3.25Å; A18-T22 WeakPolarHBondContact O-CG2 3.11Å; A18-T22 PolarHBondContact O-N 3.37Å; A18-T22 PolarHBondContact O-OG1 2.95Å
23	W	49.7	Very low	65.7	Low	173 Å²	173	65.5 Å²	65.5	66%	0.655	37%	0.371	S	S	*	.	S	Bend	trans	-117.5	-17.4	-172.1	-70.8	77.6	0	0	0	115.3	G25 S26	W23-G25 PolarHBondContact O-N 3.32Å; W23-S26 PolarHBondContact O-N 2.91Å; W23-S26 VanDerWaalsContact O-N 3.12Å; W23-S26 PolarHBondContact O-OG 3.2Å
24	A	60.1	Low	68.4	Low	59 Å²	59	62.7 Å²	62.7	49%	0.488	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	112.5	177.7	0	0	0	0	0	110	P129	A24-P129 WeakPolarHBondContact O-CG 3.39Å
25	G	80	Confident	71.1	Confident	24 Å²	24	60 Å²	60	25%	0.247	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	14.5	179.6	0	0	0	0	0	116.3	W23 P129 E288	W23-G25 PolarHBondContact O-N 3.32Å; G25-P129 VanDerWaalsContact O-CA 3.3Å; G25-P129 WeakPolarHBondContact O-CA 3.2Å; G25-E288 PolarHBondContact N-OE1 3.06Å
26	S	93.1	Very high	73.9	Confident	28 Å²	28	60 Å²	60	20%	0.196	33%	0.334	C	S	.	.			trans	-81.9	147.2	163.5	70.4	0	0	0	0	110.4	W23 V127	W23-S26 PolarHBondContact O-N 2.91Å; W23-S26 VanDerWaalsContact O-N 3.12Å; W23-S26 PolarHBondContact O-OG 3.2Å; S26-V127 WeakPolarHBondContact CA-O 3.38Å
27	H	97.1	Very high	76.6	Confident	29 Å²	29	58 Å²	58	13%	0.134	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.2	-178.8	-67.6	-76.2	0	0	0	111.2	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.5Å; H27-D53 IonicContact CE1-OD2 3.58Å; H27-D53 IonicContact CG-OD2 3.48Å; H27-D53 IonicContact ND1-OD1 3.47Å; H27-D53 IonicContact ND1-OD2 2.7Å; H27-D53 PolarHBondContact ND1-OD2 2.94Å; H27-D126 CarbonylContact O-C 3.47Å; H27-D126 WeakPolarHBondContact O-CA 3.36Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.96Å; H27-V127 PolarHBondContact O-N 2.89Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4.01Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.45Å
28	S	98.2	Very high	79.3	Confident	24 Å²	24	56.5 Å²	56.5	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.1	177.8	66.7	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.09Å; S28-D53 PolarHBondContact N-OD1 3.24Å; S28-D53 PolarHBondContact O-N 3.46Å; S28-C125 WeakPolarHBondContact CA-O 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å
29	M	98.8	Very high	81.9	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.2	165.9	-175.4	169.9	60.8	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.19Å; M29-Y31 HydrophobicContact CG-CE2 4.06Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.29Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; M29-C125 PolarHBondContact N-O 3.39Å; M29-C125 PolarHBondContact O-N 3.48Å; M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.25Å; M29-W191 HydrophobicContact CE-CB 4.11Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.33Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.8	Very high	84.5	Confident	55 Å²	55	55 Å²	55	21%	0.208	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.3	-177.1	-58.3	-63.6	-177.6	77.9	4.7	110.9	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.88Å; R30-G50 CarbonylContact O-C 3.48Å; R30-G50 WeakPolarHBondContact O-CA 3.42Å; R30-Y51 PolarHBondContact N-O 3.19Å; R30-Y51 PolarHBondContact O-N 3.17Å; R30-D126 IonicContact CZ-OD1 2.7Å; R30-D126 IonicContact NE-OD1 3.66Å; R30-D126 PolarHBondContact NE-OD1 3.43Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 3.8Å; R30-D126 PolarHBondContact NH2-OD1 2.89Å; R30-D126 IonicContact NH2-OD2 3.91Å; R30-D126 PolarHBondContact NH2-OD2 3.36Å; R30-D126 VanDerWaalsContact NH2-OD2 3.12Å; R30-H137 PolarHBondContact NH2-NE2 2.88Å; R30-H137 VanDerWaalsContact NH2-NE2 3.14Å
31	Y	98.9	Very high	87	Confident	13 Å²	13	61.1 Å²	61.1	5%	0.051	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.9	169.9	-68.6	-88.1	0	0	0	109.4	M29 V49 F57 V58 Y91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.19Å; M29-Y31 HydrophobicContact CG-CE2 4.06Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; Y31-V49 WeakPolarHBondContact CA-O 3.25Å; Y31-F57 AromaticContact CE1-CZ 3.96Å; Y31-F57 HydrophobicContact CE1-CZ 3.96Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.03Å; Y31-V58 HydrophobicContact CE1-CG2 4.03Å; Y31-Y91 WeakPolarHBondContact CE1-OH 3.32Å; Y31-M122 WeakPolarHBondContact O-CA 3.3Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.8Å; Y31-Y123 HydrophobicContact CD2-CE2 3.8Å; Y31-Y123 AromaticContact CD2-CZ 3.74Å; Y31-Y123 HydrophobicContact CG-CE1 4.21Å; Y31-Y123 HydrophobicContact CG-CE2 4.31Å; Y31-Y123 AromaticContact CG-CZ 3.79Å; Y31-Y123 PolarHBondContact N-O 3.45Å; Y31-Y123 PolarHBondContact O-N 3.35Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.9	Very high	89.5	Confident	85 Å²	85	56.1 Å²	56.1	37%	0.373	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.4	179	-57.6	-93.8	0	0	0	109.4	R30 S48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.88Å; F32-S48 WeakPolarHBondContact O-CA 3.49Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 3.24Å; F32-V49 PolarHBondContact O-N 3.23Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; F32-R121 WeakPolarHBondContact CA-O 3.36Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CZ-CG 4.05Å
33	Y	98.8	Very high	92	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.4	176	-55.8	-15	0	0	0	109.4	F46 I47 S48 Y91 Q94 Q120 R121 Y123	Y33-F46 HydrophobicContact CD1-CZ 4.14Å; Y33-F46 HydrophobicContact CD2-CE2 4.12Å; Y33-F46 HydrophobicContact CD2-CZ 4.06Å; Y33-F46 HydrophobicContact CE2-CZ 4.43Å; Y33-F46 HydrophobicContact CG-CE2 4.03Å; Y33-F46 AromaticContact CG-CZ 3.88Å; Y33-F46 HydrophobicContact CG-CZ 3.88Å; Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.19Å; Y33-S48 VanDerWaalsContact CD1-CB 3.48Å; Y33-S48 WeakPolarHBondContact CD1-OG 3.22Å; Y33-S48 WeakPolarHBondContact CE1-OG 3.48Å; Y33-Y91 HydrophobicContact CE1-CD1 4.18Å; Y33-Y91 AromaticContact CE1-CE1 3.76Å; Y33-Y91 HydrophobicContact CE1-CE1 3.76Å; Y33-Y91 AromaticContact CZ-CE1 3.85Å; Y33-Y91 VanDerWaalsContact OH-CE1 3.32Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.38Å; Y33-Q94 HydrophobicContact CD2-CG 3.72Å; Y33-Q94 HydrophobicContact CE2-CG 3.65Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.34Å; Y33-R121 HydrophobicContact CD2-CB 4.38Å; Y33-R121 PolarHBondContact N-O 3.41Å; Y33-R121 PolarHBondContact O-N 2.93Å; Y33-Y123 HydrophobicContact CD2-CE1 4.31Å; Y33-Y123 AromaticContact CE1-CE1 3.95Å; Y33-Y123 HydrophobicContact CE1-CE1 3.95Å; Y33-Y123 HydrophobicContact CE2-CD1 4.49Å; Y33-Y123 AromaticContact CE2-CE1 3.61Å; Y33-Y123 HydrophobicContact CE2-CE1 3.61Å; Y33-Y123 AromaticContact CZ-CE1 3.44Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.44Å; Y33-Y123 AromaticContact CZ-CZ 3.95Å; Y33-Y123 PolarHBondContact OH-OH 2.98Å
34	T	98.9	Very high	94.3	Very high	43 Å²	43	49.1 Å²	49.1	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.4	174.2	-57.9	0	0	0	0	109.4	V36 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 3.99Å; T34-I47 PolarHBondContact N-O 2.86Å; T34-I47 PolarHBondContact O-N 2.87Å; T34-T118 HydrophobicContact CG2-CG2 4.07Å; T34-Q120 HydrophobicContact CG2-CG 4.1Å
35	S	98.8	Very high	96.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.1	177.9	-75.1	0	0	0	0	110.1	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.57Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.25Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.33Å; S35-D98 WeakPolarHBondContact OG-CB 3.43Å; S35-D98 PolarHBondContact OG-OD2 3.26Å; S35-T118 CarbonylContact O-C 3.6Å; S35-T118 WeakPolarHBondContact O-CA 3.13Å; S35-L119 PolarHBondContact N-O 3.29Å; S35-L119 PolarHBondContact O-N 3.45Å
36	V	98.7	Very high	97	Very high	51 Å²	51	49.6 Å²	49.6	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.9	-177.1	-173.6	0	0	0	0	109.8	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.99Å; V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.46Å; V36-R45 PolarHBondContact N-O 3.05Å; V36-R45 PolarHBondContact O-N 2.79Å; V36-T118 HydrophobicContact CG2-CG2 4.26Å
37	S	98.1	Very high	97.3	Very high	16 Å²	16	50.5 Å²	50.5	11%	0.112	27%	0.274	C	S	.	.			trans	-70.3	143	173.7	77.1	0	0	0	0	110.7	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.31Å; S37-S116 PolarHBondContact O-OG 3.18Å; S37-H117 PolarHBondContact N-O 3.02Å; S37-H117 PolarHBondContact OG-N 3.35Å; S37-H117 PolarHBondContact OG-O 3.49Å
38	R	96.6	Very high	97.4	Very high	73 Å²	73	49.1 Å²	49.1	28%	0.275	27%	0.268	S	S	.	.			trans	-136.7	73.9	-178.6	53.2	175.8	175.3	-161.6	-9.5	111.3	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.99Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.49Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 3.49Å; R38-R41 PolarHBondContact O-N 2.89Å; R38-E43 VanDerWaalsContact CZ-O 3.32Å; R38-E43 PolarHBondContact NE-O 3.38Å; R38-E43 PolarHBondContact NH2-O 3.41Å; R38-E43 VanDerWaalsContact NH2-O 3.07Å; R38-D63 IonicContact CZ-OD1 3.47Å; R38-D63 IonicContact CZ-OD2 3.58Å; R38-D63 IonicContact NH1-OD1 3.37Å; R38-D63 PolarHBondContact NH1-OD1 2.79Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 2.03Å; R38-D63 IonicContact NH2-OD1 2.73Å; R38-D63 PolarHBondContact NH2-OD1 2.79Å; R38-D63 IonicContact NH2-OD2 3.63Å
39	P	93.4	Very high	97.4	Very high	56 Å²	56	49.5 Å²	49.5	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	130.1	-177.3	-26.8	34.7	0	0	0	112.4	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.26Å; P39-R41 PolarHBondContact O-N 2.93Å; P39-E113 WeakPolarHBondContact CB-O 3.41Å; P39-E113 WeakPolarHBondContact CG-O 3.36Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.44Å
40	G	92.6	Very high	97.4	Very high	88 Å²	88	49.4 Å²	49.4	91%	0.907	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	2.2	-177.4	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 2.99Å
41	R	94.5	Very high	97.4	Very high	208 Å²	208	50 Å²	50	79%	0.785	27%	0.271	S	S	*	.	S	Bend	trans	-125.5	25.8	179.6	-58.6	-174.5	-177.9	173.4	1.1	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.49Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 3.49Å; R38-R41 PolarHBondContact O-N 2.89Å; P39-R41 VanDerWaalsContact C-N 3.26Å; P39-R41 PolarHBondContact O-N 2.93Å
42	G	93.1	Very high	97.4	Very high	57 Å²	57	49.4 Å²	49.4	59%	0.588	27%	0.269	S	S	*	.	S	Bend	trans	94.1	-161.1	179.1	0	0	0	0	0	113.8
43	E	95.4	Very high	97.3	Very high	90 Å²	90	46.7 Å²	46.7	42%	0.421	26%	0.258	S	S	.	.	S	Bend	trans	-70	155.7	-177.8	-63.2	-56.6	161.1	0	0	112.7	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.32Å; R38-E43 PolarHBondContact NE-O 3.38Å; R38-E43 PolarHBondContact NH2-O 3.41Å; R38-E43 VanDerWaalsContact NH2-O 3.07Å; E43-R45 PolarHBondContact O-N 3.02Å; E43-R99 VanDerWaalsContact CD-NH1 3.25Å; E43-R99 IonicContact OE1-CZ 3.96Å; E43-R99 IonicContact OE1-NE 3.67Å; E43-R99 IonicContact OE1-NH1 3.72Å; E43-R99 PolarHBondContact OE1-NH1 3.49Å; E43-R99 VanDerWaalsContact OE1-NH1 3.15Å; E43-R99 IonicContact OE1-NH2 3.81Å; E43-R99 PolarHBondContact OE1-NH2 3.48Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 3.18Å; E43-R99 IonicContact OE2-NE 3.12Å; E43-R99 PolarHBondContact OE2-NE 2.64Å; E43-R99 IonicContact OE2-NH1 3.89Å; E43-R99 PolarHBondContact OE2-NH1 2.87Å; E43-R99 IonicContact OE2-NH2 3.02Å; E43-R99 PolarHBondContact OE2-NH2 3Å
44	P	97.6	Very high	97.2	Very high	27 Å²	27	49.4 Å²	49.4	18%	0.175	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-51.7	134.8	171.6	-25	34.5	0	0	0	111.6	V36 R99 L102	V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.46Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.21Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.83Å
45	R	98.4	Very high	97.1	Very high	90 Å²	90	48 Å²	48	34%	0.34	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127	174.1	-176.3	-177.9	-176.8	-177.8	-1.5	108.6	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.57Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.25Å; V36-R45 PolarHBondContact N-O 3.05Å; V36-R45 PolarHBondContact O-N 2.79Å; E43-R45 PolarHBondContact O-N 3.02Å; R45-I47 HydrophobicContact CG-CG1 4.26Å; R45-D61 IonicContact CZ-OD1 3.6Å; R45-D61 IonicContact CZ-OD2 2.64Å; R45-D61 IonicContact NE-OD1 3.85Å; R45-D61 PolarHBondContact NE-OD1 3.21Å; R45-D61 IonicContact NE-OD2 2.97Å; R45-D61 IonicContact NH2-OD1 2.89Å; R45-D61 PolarHBondContact NH2-OD1 3.49Å; R45-D61 IonicContact NH2-OD2 3.05Å; R45-D61 PolarHBondContact NH2-OD2 2.97Å; R45-S62 WeakPolarHBondContact CA-OG 3.5Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 3.78Å
46	F	98.8	Very high	97.1	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.8	175.7	174.6	-88.2	0	0	0	109.7	Y33 S35 F60 S62 Y91 Q94 A95	Y33-F46 HydrophobicContact CD1-CZ 4.14Å; Y33-F46 HydrophobicContact CD2-CE2 4.12Å; Y33-F46 HydrophobicContact CD2-CZ 4.06Å; Y33-F46 HydrophobicContact CE2-CZ 4.43Å; Y33-F46 HydrophobicContact CG-CE2 4.03Å; Y33-F46 AromaticContact CG-CZ 3.88Å; Y33-F46 HydrophobicContact CG-CZ 3.88Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.33Å; F46-F60 AromaticContact CD1-CD1 3.63Å; F46-F60 HydrophobicContact CD1-CD1 3.63Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.81Å; F46-F60 HydrophobicContact CE1-CD1 3.81Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; F46-S62 PolarHBondContact N-OG 3.25Å; F46-S62 PolarHBondContact O-N 2.87Å; F46-S62 PolarHBondContact O-OG 2.86Å; F46-Y91 HydrophobicContact CE1-CD1 4.17Å; F46-Y91 HydrophobicContact CE1-CG 4.44Å; F46-Y91 HydrophobicContact CZ-CD1 4.32Å; F46-Q94 HydrophobicContact CE2-CB 4.24Å; F46-Q94 HydrophobicContact CE2-CG 3.69Å; F46-Q94 HydrophobicContact CZ-CB 4.14Å; F46-Q94 HydrophobicContact CZ-CG 3.9Å; F46-A95 HydrophobicContact CB-CB 3.66Å; F46-A95 HydrophobicContact CD1-CB 4.05Å; F46-A95 HydrophobicContact CD2-CB 4.1Å; F46-A95 HydrophobicContact CG-CB 3.68Å
47	I	98.8	Very high	97.1	Very high	48 Å²	48	48.1 Å²	48.1	25%	0.246	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.2	173.7	-56.3	176.4	0	0	0	108	Y33 T34 R45 F60	Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.19Å; T34-I47 PolarHBondContact N-O 2.86Å; T34-I47 PolarHBondContact O-N 2.87Å; R45-I47 HydrophobicContact CG-CG1 4.26Å; I47-F60 WeakPolarHBondContact CA-O 3.36Å
48	S	98.8	Very high	97.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.8	171	163.7	0	0	0	0	109.8	F32 Y33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.49Å; Y33-S48 VanDerWaalsContact CD1-CB 3.48Å; Y33-S48 WeakPolarHBondContact CD1-OG 3.22Å; Y33-S48 WeakPolarHBondContact CE1-OG 3.48Å; S48-R59 CarbonylContact O-C 3.54Å; S48-R59 VanDerWaalsContact O-CA 3.31Å; S48-R59 WeakPolarHBondContact O-CA 3.31Å; S48-F60 PolarHBondContact N-O 3.49Å; S48-F60 PolarHBondContact O-N 2.77Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.32Å
49	V	98.9	Very high	97.2	Very high	31 Å²	31	47.9 Å²	47.9	19%	0.188	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.4	169.5	-63.6	0	0	0	0	109.9	Y31 F32 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.25Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 3.24Å; F32-V49 PolarHBondContact O-N 3.23Å; V49-Y51 HydrophobicContact CB-CE2 4.08Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.23Å
50	G	98.8	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.6	176.5	0	0	0	0	0	111	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.48Å; R30-G50 WeakPolarHBondContact O-CA 3.42Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 2.94Å; G50-F57 PolarHBondContact O-N 3.43Å; G50-V58 PolarHBondContact N-O 2.67Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 3.06Å
51	Y	98.8	Very high	97.8	Very high	67 Å²	67	42 Å²	42	26%	0.263	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.6	178.9	-78	-102.7	0	0	0	110.8	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.29Å; R30-Y51 PolarHBondContact N-O 3.19Å; R30-Y51 PolarHBondContact O-N 3.17Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; V49-Y51 HydrophobicContact CB-CE2 4.08Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.45Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.54Å; Y51-Q56 HydrophobicContact CE1-CG 4.28Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.6	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.1	156.5	177.1	0	0	0	0	106.2	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.09Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; V52-D54 PolarHBondContact O-N 2.91Å; V52-T55 PolarHBondContact N-O 2.8Å; V52-T55 WeakPolarHBondContact O-CB 3.39Å; V52-T55 PolarHBondContact O-N 3.02Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4Å; V52-W75 HydrophobicContact CB-CH2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.94Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	97	Very high	98.2	Very high	29 Å²	29	34.3 Å²	34.3	16%	0.155	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-125.4	-166.5	-51.1	-39.4	0	0	0	110.5	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.5Å; H27-D53 IonicContact CE1-OD2 3.58Å; H27-D53 IonicContact CG-OD2 3.48Å; H27-D53 IonicContact ND1-OD1 3.47Å; H27-D53 IonicContact ND1-OD2 2.7Å; H27-D53 PolarHBondContact ND1-OD2 2.94Å; S28-D53 PolarHBondContact N-OD1 3.24Å; S28-D53 PolarHBondContact O-N 3.46Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	96.9	Very high	98.3	Very high	61 Å²	61	31.6 Å²	31.6	33%	0.326	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	10.3	178.6	-62.1	-55.1	0	0	0	113.7	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.91Å; D54-Y233 HydrophobicContact CB-CE2 3.96Å; D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 2.91Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	97.3	Very high	98.3	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.6	-177.3	-58.1	0	0	0	0	111.5	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.8Å; V52-T55 WeakPolarHBondContact O-CB 3.39Å; V52-T55 PolarHBondContact O-N 3.02Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 3.41Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.42Å; T55-Y233 PolarHBondContact OG1-OH 3.3Å; T55-R263 PolarHBondContact OG1-NE 2.74Å
56	Q	98.1	Very high	98.2	Very high	54 Å²	54	35.3 Å²	35.3	25%	0.252	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.2	173.1	-166.3	179.6	-4.1	0	0	110.3	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.45Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.54Å; Y51-Q56 HydrophobicContact CE1-CG 4.28Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 3.16Å; Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.38Å
57	F	98.4	Very high	98.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-23	-179.7	74.5	-83.3	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 AromaticContact CE1-CZ 3.96Å; Y31-F57 HydrophobicContact CE1-CZ 3.96Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.03Å; G50-F57 WeakPolarHBondContact O-CD1 2.94Å; G50-F57 PolarHBondContact O-N 3.43Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4Å; T55-F57 PolarHBondContact O-N 3.41Å; F57-R72 PolarHBondContact O-N 2.99Å; F57-A73 HydrophobicContact CB-CB 4.09Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.98Å; F57-W75 HydrophobicContact CD1-CH2 4.03Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.29Å; F57-I76 VanDerWaalsContact O-CG2 3.25Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.63Å; F57-Y195 HydrophobicContact CE2-CE2 3.63Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.78Å; F57-Y195 HydrophobicContact CZ-CE2 3.78Å
58	V	98.7	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.5	176.7	-71.9	0	0	0	0	112.6	Y31 V49 G50 Q56 E69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 4.03Å; V49-V58 WeakPolarHBondContact CA-O 3.4Å; G50-V58 PolarHBondContact N-O 2.67Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 3.06Å; Q56-V58 PolarHBondContact NE2-O 3.16Å; V58-E69 HydrophobicContact CB-CG 3.92Å; V58-E69 WeakPolarHBondContact CB-OE1 3.4Å; V58-E69 HydrophobicContact CG1-CG 3.97Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.47Å; V58-E70 WeakPolarHBondContact CA-O 3.35Å; V58-I76 HydrophobicContact CG1-CG1 4.29Å; V58-W84 HydrophobicContact CG1-CH2 4.27Å; V58-W84 HydrophobicContact CG1-CZ3 3.97Å
59	R	98.7	Very high	98.1	Very high	84 Å²	84	41.3 Å²	41.3	32%	0.317	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.4	171	178.5	174.8	170.5	-176.8	-4	110.9	S48 V49 D61 E69 E70 R72	S48-R59 CarbonylContact O-C 3.54Å; S48-R59 VanDerWaalsContact O-CA 3.31Å; S48-R59 WeakPolarHBondContact O-CA 3.31Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.23Å; R59-D61 IonicContact CZ-OD2 3.29Å; R59-D61 IonicContact NH2-OD2 3.15Å; R59-D61 PolarHBondContact NH2-OD2 2.91Å; R59-E69 WeakPolarHBondContact O-CA 3.44Å; R59-E70 PolarHBondContact N-O 3.47Å; R59-E70 PolarHBondContact O-N 2.8Å; R59-R72 HydrophobicContact CB-CG 3.98Å
60	F	98.9	Very high	98.1	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.7	164.4	178.1	-80.2	0	0	0	109.5	F46 I47 S48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.63Å; F46-F60 HydrophobicContact CD1-CD1 3.63Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.81Å; F46-F60 HydrophobicContact CE1-CD1 3.81Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; I47-F60 WeakPolarHBondContact CA-O 3.36Å; S48-F60 PolarHBondContact N-O 3.49Å; S48-F60 PolarHBondContact O-N 2.77Å; F60-P67 HydrophobicContact CE1-CB 4.42Å; F60-P67 HydrophobicContact CE2-CB 3.93Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.31Å; F60-Y91 HydrophobicContact CB-CD2 3.83Å; F60-Y91 HydrophobicContact CB-CE2 4.35Å; F60-Y91 HydrophobicContact CB-CG 3.98Å; F60-Y91 HydrophobicContact CD1-CG 4.5Å; F60-Y91 AromaticContact CD2-CD2 3.87Å; F60-Y91 HydrophobicContact CD2-CD2 3.87Å; F60-Y91 HydrophobicContact CD2-CG 4.1Å; F60-Y91 AromaticContact CG-CD2 4Å; F60-Y91 HydrophobicContact CG-CD2 4Å; F60-Y91 AromaticContact CG-CG 3.95Å; F60-Y91 HydrophobicContact CG-CG 3.95Å; F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 3.99Å
61	D	98.8	Very high	98	Very high	18 Å²	18	45.5 Å²	45.5	10%	0.096	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	119.4	176.7	-163.3	-28.2	0	0	0	109.7	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.6Å; R45-D61 IonicContact CZ-OD2 2.64Å; R45-D61 IonicContact NE-OD1 3.85Å; R45-D61 PolarHBondContact NE-OD1 3.21Å; R45-D61 IonicContact NE-OD2 2.97Å; R45-D61 IonicContact NH2-OD1 2.89Å; R45-D61 PolarHBondContact NH2-OD1 3.49Å; R45-D61 IonicContact NH2-OD2 3.05Å; R45-D61 PolarHBondContact NH2-OD2 2.97Å; R59-D61 IonicContact CZ-OD2 3.29Å; R59-D61 IonicContact NH2-OD2 3.15Å; R59-D61 PolarHBondContact NH2-OD2 2.91Å; D61-D63 PolarHBondContact O-N 3.27Å; D61-D63 PolarHBondContact OD1-N 2.99Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 3.07Å
62	S	98.4	Very high	98	Very high	33 Å²	33	47.7 Å²	47.7	23%	0.231	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.7	-178.3	68	0	0	0	0	113.4	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.5Å; F46-S62 PolarHBondContact N-OG 3.25Å; F46-S62 PolarHBondContact O-N 2.87Å; F46-S62 PolarHBondContact O-OG 2.86Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.49Å
63	D	97.9	Very high	97.9	Very high	69 Å²	69	47.9 Å²	47.9	37%	0.369	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.8	179.5	-78.9	4.7	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.47Å; R38-D63 IonicContact CZ-OD2 3.58Å; R38-D63 IonicContact NH1-OD1 3.37Å; R38-D63 PolarHBondContact NH1-OD1 2.79Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 2.03Å; R38-D63 IonicContact NH2-OD1 2.73Å; R38-D63 PolarHBondContact NH2-OD1 2.79Å; R38-D63 IonicContact NH2-OD2 3.63Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 3.78Å; D61-D63 PolarHBondContact O-N 3.27Å; D61-D63 PolarHBondContact OD1-N 2.99Å
64	A	97.4	Very high	97.9	Very high	34 Å²	34	51.6 Å²	51.6	28%	0.281	29%	0.287	S	S	.	.	S	Bend	trans	-61.9	149.9	172.8	0	0	0	0	0	110.8	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 3.07Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.82Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.35Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.42Å
65	A	97.1	Very high	97.9	Very high	117 Å²	117	49.5 Å²	49.5	97%	0.967	28%	0.275	S	S	*	.	S	Bend	trans	-59	-32.2	-179.4	0	0	0	0	0	113
66	S	96.7	Very high	98	Very high	77 Å²	77	48.8 Å²	48.8	54%	0.538	27%	0.27	S	S	.	.	S	Bend	trans	-134.5	88.7	171.7	-175.5	0	0	0	0	108.6	A64 R68	A64-S66 PolarHBondContact O-N 2.82Å; S66-R68 PolarHBondContact O-N 3.34Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	97.6	Very high	97.9	Very high	31 Å²	31	52.2 Å²	52.2	20%	0.201	29%	0.286	C	S	.	.			trans	-62.2	114.4	-174.4	-25.1	35.6	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.42Å; F60-P67 HydrophobicContact CE2-CB 3.93Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; S62-P67 WeakPolarHBondContact O-CG 3.49Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.35Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.42Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; P67-K92 PolarHBondContact O-NZ 3.48Å
68	R	98.3	Very high	97.8	Very high	138 Å²	138	57.9 Å²	57.9	52%	0.521	31%	0.313	S	S	.	.			trans	-144.1	157.2	177.5	-67.2	-167.2	169.8	-166.6	-8.2	109.9	F60 S66 T88	F60-R68 VanDerWaalsContact CD2-C 3.46Å; F60-R68 WeakPolarHBondContact CD2-O 3.31Å; S66-R68 PolarHBondContact O-N 3.34Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-T88 HydrophobicContact CB-CG2 4.36Å; R68-T88 HydrophobicContact CG-CG2 4.13Å
69	E	98.5	Very high	97.8	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.037	32%	0.315	C	S	.	.			trans	-68.5	130.9	166.1	-171.1	-179.2	-131.2	0	0	108.6	V58 R59 Y83 W84 N87 T88 Y91	V58-E69 HydrophobicContact CB-CG 3.92Å; V58-E69 WeakPolarHBondContact CB-OE1 3.4Å; V58-E69 HydrophobicContact CG1-CG 3.97Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.47Å; R59-E69 WeakPolarHBondContact O-CA 3.44Å; E69-Y83 WeakPolarHBondContact OE2-CE1 3.44Å; E69-W84 HydrophobicContact CB-CE3 4.15Å; E69-W84 HydrophobicContact CB-CZ3 4.47Å; E69-W84 HydrophobicContact CG-CE3 4.07Å; E69-W84 HydrophobicContact CG-CZ3 3.92Å; E69-N87 WeakPolarHBondContact OE2-CB 3.47Å; E69-N87 PolarHBondContact OE2-ND2 2.74Å; E69-T88 PolarHBondContact N-OG1 3.3Å; E69-Y91 HydrophobicContact CB-CD2 4.09Å; E69-Y91 HydrophobicContact CB-CE2 3.79Å; E69-Y91 VanDerWaalsContact CD-CE2 3.47Å; E69-Y91 HydrophobicContact CG-CD2 4.42Å; E69-Y91 HydrophobicContact CG-CE2 3.65Å; E69-Y91 WeakPolarHBondContact OE1-CE2 3.3Å; E69-Y91 PolarHBondContact OE1-OH 2.96Å
70	E	98.4	Very high	97.7	Very high	73 Å²	73	55.8 Å²	55.8	34%	0.341	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.4	-177.4	-63.9	176.6	160.8	0	0	110.4	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.35Å; R59-E70 PolarHBondContact N-O 3.47Å; R59-E70 PolarHBondContact O-N 2.8Å; E70-R72 IonicContact OE2-CZ 2.92Å; E70-R72 IonicContact OE2-NH1 3.96Å; E70-R72 IonicContact OE2-NH2 2.75Å; E70-R72 PolarHBondContact OE2-NH2 2.82Å
71	P	98.4	Very high	97.6	Very high	46 Å²	46	59.7 Å²	59.7	30%	0.299	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	145.5	174.2	28.4	-34.2	0	0	0	111.3	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.68Å; P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.68Å; P71-W84 HydrophobicContact CB-CZ2 4.15Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.27Å
72	R	97.9	Very high	97.6	Very high	112 Å²	112	65.7 Å²	65.7	42%	0.423	37%	0.367	S	S	.	.			trans	-128.8	-1.2	174.2	-60.8	-64.3	175.3	-144.4	6.1	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; F57-R72 PolarHBondContact O-N 2.99Å; R59-R72 HydrophobicContact CB-CG 3.98Å; E70-R72 IonicContact OE2-CZ 2.92Å; E70-R72 IonicContact OE2-NH1 3.96Å; E70-R72 IonicContact OE2-NH2 2.75Å; E70-R72 PolarHBondContact OE2-NH2 2.82Å
73	A	96.8	Very high	97.6	Very high	4 Å²	4	64.6 Å²	64.6	3%	0.033	36%	0.358	C	S	.	.	S	Bend	trans	-136.9	144.2	173.1	0	0	0	0	0	111	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.09Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.03Å; A73-W75 PolarHBondContact O-N 2.94Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 2.91Å
74	P	97.1	Very high	97.6	Very high	107 Å²	107	63.2 Å²	63.2	70%	0.695	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-58.9	-36.7	-177.6	-26.8	35.2	0	0	0	114	I76 E77	P74-I76 PolarHBondContact O-N 2.83Å; P74-E77 WeakPolarHBondContact O-CB 3.49Å; P74-E77 PolarHBondContact O-N 2.88Å; P74-E77 VanDerWaalsContact O-N 3.17Å
75	W	96.9	Very high	97.7	Very high	17 Å²	17	65.5 Å²	65.5	6%	0.064	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-70.7	-14.4	-176.1	53.9	-106.1	0	0	0	114.2	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.45Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.98Å; F57-W75 HydrophobicContact CD1-CH2 4.03Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.16Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.03Å; A73-W75 PolarHBondContact O-N 2.94Å; W75-Q78 WeakPolarHBondContact O-CG 3.22Å; W75-Q78 PolarHBondContact O-NE2 2.89Å; W75-Y195 HydrophobicContact CE3-CD1 4.42Å; W75-Y195 HydrophobicContact CH2-CD2 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD2 4.28Å; W75-Y195 HydrophobicContact CZ3-CE1 4.48Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.12Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å
76	I	98.1	Very high	97.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-89	-19.7	174.1	-163.1	71.5	0	0	0	111.9	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.29Å; F57-I76 VanDerWaalsContact O-CG2 3.25Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; V58-I76 HydrophobicContact CG1-CG1 4.29Å; P71-I76 HydrophobicContact CB-CG2 3.68Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 2.91Å; P74-I76 PolarHBondContact O-N 2.83Å; I76-Q78 PolarHBondContact O-N 3.09Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.18Å; I76-E79 WeakPolarHBondContact O-CB 3.41Å; I76-E79 WeakPolarHBondContact O-CG 3.43Å; I76-E79 PolarHBondContact O-N 2.78Å; I76-Y83 HydrophobicContact CD1-CE1 4.33Å; I76-Y83 HydrophobicContact CG1-CE1 4.34Å; I76-W84 HydrophobicContact CB-CH2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.18Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 WeakPolarHBondContact O-CZ2 3.12Å; I76-Y195 HydrophobicContact CD1-CD1 3.86Å; I76-Y195 HydrophobicContact CD1-CE1 3.31Å
77	E	97.1	Very high	97.8	Very high	126 Å²	126	62.8 Å²	62.8	59%	0.589	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.7	-176.5	-65.1	-179.5	-173.6	0	0	113.4	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.49Å; P74-E77 PolarHBondContact O-N 2.88Å; P74-E77 VanDerWaalsContact O-N 3.17Å; E77-E79 PolarHBondContact O-N 2.93Å
78	Q	96.2	Very high	97.9	Very high	118 Å²	118	61.4 Å²	61.4	55%	0.551	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-12.5	175.9	70.4	-173.7	-39.9	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.22Å; W75-Q78 PolarHBondContact O-NE2 2.89Å; I76-Q78 PolarHBondContact O-N 3.09Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-N198 PolarHBondContact NE2-ND2 3.21Å
79	E	97.8	Very high	97.9	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.056	30%	0.302	C	S	.	.	S	Bend	trans	-65.2	137.6	177.3	-67	-60.5	155.8	0	0	111	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.18Å; I76-E79 WeakPolarHBondContact O-CB 3.41Å; I76-E79 WeakPolarHBondContact O-CG 3.43Å; I76-E79 PolarHBondContact O-N 2.78Å; E77-E79 PolarHBondContact O-N 2.93Å; E79-Y83 HydrophobicContact CB-CD1 3.71Å; E79-Y83 HydrophobicContact CB-CD2 4.44Å; E79-Y83 HydrophobicContact CB-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.35Å; E79-Y83 HydrophobicContact CG-CE1 4.43Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 HydrophobicContact CB-CZ2 4.34Å; E79-W84 PolarHBondContact O-NE1 2.79Å; E79-R194 VanDerWaalsContact CD-NH2 3.29Å; E79-R194 IonicContact OE1-CZ 3.7Å; E79-R194 IonicContact OE1-NE 2.99Å; E79-R194 PolarHBondContact OE1-NE 2.83Å; E79-R194 IonicContact OE1-NH2 3.39Å; E79-R194 PolarHBondContact OE1-NH2 3.23Å; E79-R194 VanDerWaalsContact OE1-NH2 3.08Å; E79-R194 IonicContact OE2-CZ 3.69Å; E79-R194 IonicContact OE2-NE 3.38Å; E79-R194 IonicContact OE2-NH2 3.65Å; E79-R194 PolarHBondContact OE2-NH2 3.12Å; E79-N198 PolarHBondContact OE1-ND2 2.83Å
80	G	97.3	Very high	97.9	Very high	28 Å²	28	64 Å²	64	29%	0.289	32%	0.32	S	S	.	.			trans	-69.2	166.6	-175.5	0	0	0	0	0	113.9	E82 Y83	G80-E82 PolarHBondContact O-N 2.99Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.46Å; G80-Y83 PolarHBondContact O-N 3.15Å
81	P	97.8	Very high	97.9	Very high	86 Å²	86	60.8 Å²	60.8	56%	0.558	31%	0.305	S	S	*	.	H	α-helix	trans	-57.4	-31.9	-179.4	24.4	-33.8	0	0	0	113.1	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.76Å; P81-W84 PolarHBondContact O-N 3.38Å; P81-D85 WeakPolarHBondContact O-CB 3.29Å; P81-D85 PolarHBondContact O-N 3.16Å
82	E	98	Very high	97.9	Very high	143 Å²	143	62.3 Å²	62.3	67%	0.668	31%	0.307	S	S	*	.	H	α-helix	trans	-63	-33	178.3	-58.3	86.8	176.9	0	0	112.6	G80 R86	G80-E82 PolarHBondContact O-N 2.99Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.37Å; E82-R86 PolarHBondContact O-N 2.94Å
83	Y	98.3	Very high	97.9	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-53.2	175.9	172.9	-90.4	0	0	0	110.4	E69 I76 E79 G80 P81 R86 N87 W191 Y195	E69-Y83 WeakPolarHBondContact OE2-CE1 3.44Å; I76-Y83 HydrophobicContact CD1-CE1 4.33Å; I76-Y83 HydrophobicContact CG1-CE1 4.34Å; E79-Y83 HydrophobicContact CB-CD1 3.71Å; E79-Y83 HydrophobicContact CB-CD2 4.44Å; E79-Y83 HydrophobicContact CB-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.35Å; E79-Y83 HydrophobicContact CG-CE1 4.43Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.46Å; G80-Y83 PolarHBondContact O-N 3.15Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.76Å; Y83-R86 PolarHBondContact O-N 2.86Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.28Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.45Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.42Å; Y83-N87 WeakPolarHBondContact O-CB 3.44Å; Y83-N87 PolarHBondContact O-N 3.24Å; Y83-N87 PolarHBondContact OH-ND2 2.97Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.23Å; Y83-W191 AromaticContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CE3 4.21Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CZ2 4.48Å; Y83-W191 AromaticContact CE2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CZ3 3.69Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y195 PolarHBondContact OH-OH 2.97Å
84	W	98.5	Very high	98	Very high	40 Å²	40	61 Å²	61	15%	0.152	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-42.6	-177.2	-60.5	111	0	0	0	112.3	V58 E69 P71 I76 E79 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.27Å; V58-W84 HydrophobicContact CG1-CZ3 3.97Å; E69-W84 HydrophobicContact CB-CE3 4.15Å; E69-W84 HydrophobicContact CB-CZ3 4.47Å; E69-W84 HydrophobicContact CG-CE3 4.07Å; E69-W84 HydrophobicContact CG-CZ3 3.92Å; P71-W84 HydrophobicContact CB-CH2 3.68Å; P71-W84 HydrophobicContact CB-CZ2 4.15Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; I76-W84 HydrophobicContact CB-CH2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.18Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 WeakPolarHBondContact O-CZ2 3.12Å; E79-W84 HydrophobicContact CB-CZ2 4.34Å; E79-W84 PolarHBondContact O-NE1 2.79Å; P81-W84 PolarHBondContact O-N 3.38Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.75Å; W84-T88 PolarHBondContact O-OG1 3.26Å
85	D	98.4	Very high	98.1	Very high	82 Å²	82	56.7 Å²	56.7	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-66.5	-46.8	178.5	-78.5	-21.7	0	0	0	110.9	P81 N87 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.29Å; P81-D85 PolarHBondContact O-N 3.16Å; D85-N87 PolarHBondContact O-N 3.14Å; D85-T88 PolarHBondContact O-N 2.76Å; D85-Q89 WeakPolarHBondContact O-CG 3.31Å; D85-Q89 PolarHBondContact O-N 3.36Å; D85-Q89 VanDerWaalsContact O-N 3.07Å
86	R	98.3	Very high	98.1	Very high	122 Å²	122	60.8 Å²	60.8	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-58.9	-50.9	178.3	-177.9	-175.3	68.3	-171.3	-1.9	111.5	E82 Y83 Q89 I90 W191	E82-R86 WeakPolarHBondContact O-CB 3.37Å; E82-R86 PolarHBondContact O-N 2.94Å; Y83-R86 PolarHBondContact O-N 2.86Å; R86-Q89 PolarHBondContact O-N 3.28Å; R86-I90 HydrophobicContact CG-CD1 4.19Å; R86-I90 WeakPolarHBondContact O-CG1 3.4Å; R86-I90 PolarHBondContact O-N 3.39Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.28Å
87	N	98.3	Very high	98.1	Very high	15 Å²	15	64 Å²	64	8%	0.08	33%	0.328	C	S	.	.	H	α-helix	trans	-69.2	-36.6	-177.3	-68.1	-11.1	0	0	0	112	E69 Y83 D85 Q89 I90 Y91	E69-N87 WeakPolarHBondContact OE2-CB 3.47Å; E69-N87 PolarHBondContact OE2-ND2 2.74Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.28Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.45Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.42Å; Y83-N87 WeakPolarHBondContact O-CB 3.44Å; Y83-N87 PolarHBondContact O-N 3.24Å; Y83-N87 PolarHBondContact OH-ND2 2.97Å; D85-N87 PolarHBondContact O-N 3.14Å; N87-Q89 VanDerWaalsContact C-N 3.26Å; N87-Q89 PolarHBondContact O-N 2.83Å; N87-I90 WeakPolarHBondContact O-CB 3.47Å; N87-I90 PolarHBondContact O-N 2.85Å; N87-I90 VanDerWaalsContact O-N 3.09Å; N87-Y91 HydrophobicContact CB-CE2 4.03Å; N87-Y91 WeakPolarHBondContact O-CD2 3.48Å; N87-Y91 PolarHBondContact O-N 3.31Å
88	T	98.7	Very high	98.2	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-55.5	-43.2	171.2	-68.5	0	0	0	0	111.5	R68 E69 W84 D85 K92	R68-T88 HydrophobicContact CB-CG2 4.36Å; R68-T88 HydrophobicContact CG-CG2 4.13Å; E69-T88 PolarHBondContact N-OG1 3.3Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.75Å; W84-T88 PolarHBondContact O-OG1 3.26Å; D85-T88 PolarHBondContact O-N 2.76Å; T88-K92 HydrophobicContact CG2-CD 4.21Å; T88-K92 WeakPolarHBondContact O-CG 3.41Å; T88-K92 PolarHBondContact O-N 3.36Å; T88-K92 VanDerWaalsContact O-N 3.07Å
89	Q	98.6	Very high	98.3	Very high	118 Å²	118	56.6 Å²	56.6	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-66.9	-39.3	175.8	-63.7	-54.4	-34.5	0	0	112.2	D85 R86 N87 Y91 K92 A93	D85-Q89 WeakPolarHBondContact O-CG 3.31Å; D85-Q89 PolarHBondContact O-N 3.36Å; D85-Q89 VanDerWaalsContact O-N 3.07Å; R86-Q89 PolarHBondContact O-N 3.28Å; N87-Q89 VanDerWaalsContact C-N 3.26Å; N87-Q89 PolarHBondContact O-N 2.83Å; Q89-Y91 PolarHBondContact O-N 2.67Å; Q89-K92 PolarHBondContact O-N 3.06Å; Q89-A93 WeakPolarHBondContact O-CB 3.39Å; Q89-A93 PolarHBondContact O-N 2.62Å
90	I	98.3	Very high	98.3	Very high	82 Å²	82	62 Å²	62	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-57.7	-49.2	175.1	-69.4	168.4	0	0	0	110.7	R86 N87 K92 A93 Q94	R86-I90 HydrophobicContact CG-CD1 4.19Å; R86-I90 WeakPolarHBondContact O-CG1 3.4Å; R86-I90 PolarHBondContact O-N 3.39Å; N87-I90 WeakPolarHBondContact O-CB 3.47Å; N87-I90 PolarHBondContact O-N 2.85Å; N87-I90 VanDerWaalsContact O-N 3.09Å; I90-K92 PolarHBondContact O-N 3.46Å; I90-A93 PolarHBondContact O-N 3.15Å; I90-Q94 WeakPolarHBondContact O-CB 3.32Å; I90-Q94 PolarHBondContact O-N 2.77Å
91	Y	98.6	Very high	98.4	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.02	31%	0.314	C	S	.	.	H	α-helix	trans	-66.7	-36.3	179.4	-62.2	-56	0	0	0	112.9	Y31 Y33 F46 S48 F60 E69 N87 Q89 Q94 A95	Y31-Y91 WeakPolarHBondContact CE1-OH 3.32Å; Y33-Y91 HydrophobicContact CE1-CD1 4.18Å; Y33-Y91 AromaticContact CE1-CE1 3.76Å; Y33-Y91 HydrophobicContact CE1-CE1 3.76Å; Y33-Y91 AromaticContact CZ-CE1 3.85Å; Y33-Y91 VanDerWaalsContact OH-CE1 3.32Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.38Å; F46-Y91 HydrophobicContact CE1-CD1 4.17Å; F46-Y91 HydrophobicContact CE1-CG 4.44Å; F46-Y91 HydrophobicContact CZ-CD1 4.32Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.32Å; F60-Y91 HydrophobicContact CB-CD2 3.83Å; F60-Y91 HydrophobicContact CB-CE2 4.35Å; F60-Y91 HydrophobicContact CB-CG 3.98Å; F60-Y91 HydrophobicContact CD1-CG 4.5Å; F60-Y91 AromaticContact CD2-CD2 3.87Å; F60-Y91 HydrophobicContact CD2-CD2 3.87Å; F60-Y91 HydrophobicContact CD2-CG 4.1Å; F60-Y91 AromaticContact CG-CD2 4Å; F60-Y91 HydrophobicContact CG-CD2 4Å; F60-Y91 AromaticContact CG-CG 3.95Å; F60-Y91 HydrophobicContact CG-CG 3.95Å; E69-Y91 HydrophobicContact CB-CD2 4.09Å; E69-Y91 HydrophobicContact CB-CE2 3.79Å; E69-Y91 VanDerWaalsContact CD-CE2 3.47Å; E69-Y91 HydrophobicContact CG-CD2 4.42Å; E69-Y91 HydrophobicContact CG-CE2 3.65Å; E69-Y91 WeakPolarHBondContact OE1-CE2 3.3Å; E69-Y91 PolarHBondContact OE1-OH 2.96Å; N87-Y91 HydrophobicContact CB-CE2 4.03Å; N87-Y91 WeakPolarHBondContact O-CD2 3.48Å; N87-Y91 PolarHBondContact O-N 3.31Å; Q89-Y91 PolarHBondContact O-N 2.67Å; Y91-Q94 PolarHBondContact O-N 3.1Å; Y91-A95 WeakPolarHBondContact O-CB 3.49Å; Y91-A95 PolarHBondContact O-N 3.2Å
92	K	98.6	Very high	98.4	Very high	79 Å²	79	58.8 Å²	58.8	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-42.2	174	-75.2	177.9	179.2	178.6	0	112	F60 P67 T88 Q89 I90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 3.99Å; P67-K92 WeakPolarHBondContact O-CE 3.35Å; P67-K92 PolarHBondContact O-NZ 3.48Å; T88-K92 HydrophobicContact CG2-CD 4.21Å; T88-K92 WeakPolarHBondContact O-CG 3.41Å; T88-K92 PolarHBondContact O-N 3.36Å; T88-K92 VanDerWaalsContact O-N 3.07Å; Q89-K92 PolarHBondContact O-N 3.06Å; I90-K92 PolarHBondContact O-N 3.46Å; K92-A95 PolarHBondContact O-N 3.28Å; K92-Q96 PolarHBondContact O-N 3.03Å
93	A	98.6	Very high	98.4	Very high	58 Å²	58	59.7 Å²	59.7	48%	0.479	29%	0.287	S	S	.	.	H	α-helix	trans	-67.1	-40.5	175.6	0	0	0	0	0	111.7	Q89 I90 Q96 T97	Q89-A93 WeakPolarHBondContact O-CB 3.39Å; Q89-A93 PolarHBondContact O-N 2.62Å; I90-A93 PolarHBondContact O-N 3.15Å; A93-Q96 PolarHBondContact O-N 2.82Å; A93-T97 PolarHBondContact O-N 2.83Å; A93-T97 PolarHBondContact O-OG1 3.15Å
94	Q	98.5	Very high	98.4	Very high	29 Å²	29	62.8 Å²	62.8	14%	0.136	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-41.6	175.4	-173.1	67	62.6	0	0	111.5	Y33 F46 I90 Y91 Q96 T97 D98 R121	Y33-Q94 HydrophobicContact CD2-CG 3.72Å; Y33-Q94 HydrophobicContact CE2-CG 3.65Å; F46-Q94 HydrophobicContact CE2-CB 4.24Å; F46-Q94 HydrophobicContact CE2-CG 3.69Å; F46-Q94 HydrophobicContact CZ-CB 4.14Å; F46-Q94 HydrophobicContact CZ-CG 3.9Å; I90-Q94 WeakPolarHBondContact O-CB 3.32Å; I90-Q94 PolarHBondContact O-N 2.77Å; Y91-Q94 PolarHBondContact O-N 3.1Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 2.7Å; Q94-T97 CarbonylContact O-C 3.59Å; Q94-T97 WeakPolarHBondContact O-CB 3.06Å; Q94-T97 PolarHBondContact O-N 3.1Å; Q94-D98 PolarHBondContact NE2-OD1 2.78Å; Q94-D98 PolarHBondContact O-N 3.23Å; Q94-R121 VanDerWaalsContact OE1-NH1 3.1Å
95	A	98.5	Very high	98.4	Very high	17 Å²	17	61.2 Å²	61.2	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-37.7	176.5	0	0	0	0	0	112.4	F46 Y91 K92 R99	F46-A95 HydrophobicContact CB-CB 3.66Å; F46-A95 HydrophobicContact CD1-CB 4.05Å; F46-A95 HydrophobicContact CD2-CB 4.1Å; F46-A95 HydrophobicContact CG-CB 3.68Å; Y91-A95 WeakPolarHBondContact O-CB 3.49Å; Y91-A95 PolarHBondContact O-N 3.2Å; K92-A95 PolarHBondContact O-N 3.28Å; A95-R99 WeakPolarHBondContact O-CB 3.19Å; A95-R99 PolarHBondContact O-N 2.87Å
96	Q	98.3	Very high	98.3	Very high	103 Å²	103	60 Å²	60	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-69.5	-41	173.3	-61.1	-51.3	-48.7	0	0	112.1	K92 A93 Q94 D98 R99 E100	K92-Q96 PolarHBondContact O-N 3.03Å; A93-Q96 PolarHBondContact O-N 2.82Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 2.7Å; Q96-D98 VanDerWaalsContact C-N 3.34Å; Q96-D98 PolarHBondContact O-N 3.02Å; Q96-R99 WeakPolarHBondContact O-CB 3.35Å; Q96-R99 PolarHBondContact O-N 3.4Å; Q96-E100 PolarHBondContact O-N 3.16Å
97	T	98.3	Very high	98.3	Very high	69 Å²	69	56.2 Å²	56.2	42%	0.423	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.3	-56.7	0	0	0	0	111.6	A93 Q94 E100 S101	A93-T97 PolarHBondContact O-N 2.83Å; A93-T97 PolarHBondContact O-OG1 3.15Å; Q94-T97 CarbonylContact O-C 3.59Å; Q94-T97 WeakPolarHBondContact O-CB 3.06Å; Q94-T97 PolarHBondContact O-N 3.1Å; T97-E100 PolarHBondContact O-N 3.3Å; T97-S101 WeakPolarHBondContact O-CB 3.49Å; T97-S101 PolarHBondContact O-N 3.41Å; T97-S101 PolarHBondContact O-OG 3.03Å
98	D	98.4	Very high	98.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-37	177.9	-80.4	18.5	0	0	0	111.6	S35 Q94 Q96 S101 L102 L119	S35-D98 WeakPolarHBondContact OG-CB 3.43Å; S35-D98 PolarHBondContact OG-OD2 3.26Å; Q94-D98 PolarHBondContact NE2-OD1 2.78Å; Q94-D98 PolarHBondContact O-N 3.23Å; Q96-D98 VanDerWaalsContact C-N 3.34Å; Q96-D98 PolarHBondContact O-N 3.02Å; D98-S101 PolarHBondContact O-N 2.83Å; D98-L102 WeakPolarHBondContact O-CB 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.41Å; D98-L102 PolarHBondContact O-N 2.96Å; D98-L119 HydrophobicContact CB-CD2 4.23Å
99	R	98.1	Very high	98.2	Very high	86 Å²	86	61.4 Å²	61.4	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-46.8	172.9	174.5	-168.7	173	166.1	15.1	111.5	E43 P44 A95 Q96 S101 R103	E43-R99 VanDerWaalsContact CD-NH1 3.25Å; E43-R99 IonicContact OE1-CZ 3.96Å; E43-R99 IonicContact OE1-NE 3.67Å; E43-R99 IonicContact OE1-NH1 3.72Å; E43-R99 PolarHBondContact OE1-NH1 3.49Å; E43-R99 VanDerWaalsContact OE1-NH1 3.15Å; E43-R99 IonicContact OE1-NH2 3.81Å; E43-R99 PolarHBondContact OE1-NH2 3.48Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 3.18Å; E43-R99 IonicContact OE2-NE 3.12Å; E43-R99 PolarHBondContact OE2-NE 2.64Å; E43-R99 IonicContact OE2-NH1 3.89Å; E43-R99 PolarHBondContact OE2-NH1 2.87Å; E43-R99 IonicContact OE2-NH2 3.02Å; E43-R99 PolarHBondContact OE2-NH2 3Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.21Å; A95-R99 WeakPolarHBondContact O-CB 3.19Å; A95-R99 PolarHBondContact O-N 2.87Å; Q96-R99 WeakPolarHBondContact O-CB 3.35Å; Q96-R99 PolarHBondContact O-N 3.4Å; R99-S101 VanDerWaalsContact C-N 3.34Å; R99-R103 PolarHBondContact O-N 3.3Å
100	E	98.2	Very high	98.2	Very high	127 Å²	127	63.1 Å²	63.1	59%	0.593	32%	0.319	S	S	*	.	H	α-helix	trans	-64.9	-40.7	175.5	-70.5	-177.9	-178.1	0	0	111.5	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.16Å; T97-E100 PolarHBondContact O-N 3.3Å; E100-L102 PolarHBondContact O-N 3.2Å; E100-R103 PolarHBondContact O-N 2.96Å; E100-N104 PolarHBondContact O-N 3.22Å; E100-N104 PolarHBondContact O-ND2 2.97Å
101	S	98.4	Very high	98.1	Very high	37 Å²	37	62 Å²	62	26%	0.259	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-44.5	177.3	-61	0	0	0	0	111.8	T97 D98 R99 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.49Å; T97-S101 PolarHBondContact O-N 3.41Å; T97-S101 PolarHBondContact O-OG 3.03Å; D98-S101 PolarHBondContact O-N 2.83Å; R99-S101 VanDerWaalsContact C-N 3.34Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.41Å; S101-N104 PolarHBondContact O-N 2.93Å; S101-N104 VanDerWaalsContact O-N 3.17Å; S101-L105 WeakPolarHBondContact O-CB 3.42Å; S101-L105 WeakPolarHBondContact O-CD1 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.5Å; S101-L105 PolarHBondContact O-N 3.02Å
102	L	98.5	Very high	98	Very high	9 Å²	9	65.7 Å²	65.7	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-58.6	-40.3	174.2	-77.3	167.8	0	0	0	112	P44 D98 E100 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.83Å; D98-L102 WeakPolarHBondContact O-CB 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.41Å; D98-L102 PolarHBondContact O-N 2.96Å; E100-L102 PolarHBondContact O-N 3.2Å; L102-R106 WeakPolarHBondContact O-CB 3.3Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.1Å; L102-Y142 HydrophobicContact CD2-CE2 4.01Å
103	R	97.5	Very high	97.7	Very high	162 Å²	162	68.3 Å²	68.3	61%	0.611	35%	0.351	S	S	*	.	H	α-helix	trans	-65.9	-42.5	175.6	-175.8	-175.2	-92.7	163.6	-8	111.6	R99 E100 S101 G107	R99-R103 PolarHBondContact O-N 3.3Å; E100-R103 PolarHBondContact O-N 2.96Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.41Å; R103-G107 PolarHBondContact O-N 3.01Å
104	N	97.9	Very high	97.5	Very high	75 Å²	75	69.5 Å²	69.5	40%	0.401	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-47.9	178.2	-71	-28.6	0	0	0	111.9	E100 S101 R106 G107 Y108	E100-N104 PolarHBondContact O-N 3.22Å; E100-N104 PolarHBondContact O-ND2 2.97Å; S101-N104 PolarHBondContact O-N 2.93Å; S101-N104 VanDerWaalsContact O-N 3.17Å; N104-R106 PolarHBondContact O-N 2.97Å; N104-G107 CarbonylContact O-C 3.49Å; N104-G107 WeakPolarHBondContact O-CA 3.28Å; N104-G107 PolarHBondContact O-N 3.44Å; N104-Y108 HydrophobicContact CB-CE2 4.36Å; N104-Y108 WeakPolarHBondContact O-CD1 3.43Å; N104-Y108 PolarHBondContact O-N 3.09Å
105	L	98.4	Very high	97.3	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-59.3	-48.1	179.6	-72.4	163.1	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.42Å; S101-L105 WeakPolarHBondContact O-CD1 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.5Å; S101-L105 PolarHBondContact O-N 3.02Å; L105-G107 PolarHBondContact O-N 2.89Å; L105-Y108 PolarHBondContact O-N 3.38Å; L105-Y109 HydrophobicContact CD2-CE2 4.16Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.36Å; L105-Y109 PolarHBondContact O-N 2.99Å; L105-L119 HydrophobicContact CD1-CD1 3.83Å; L105-L119 HydrophobicContact CD1-CD2 4.3Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.1Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CG 4.09Å; L105-Y142 HydrophobicContact CD2-CG 4.43Å; L105-Y142 HydrophobicContact CG-CD2 4.33Å; L105-Y142 HydrophobicContact CG-CE2 4.4Å; L105-Y147 HydrophobicContact CD2-CD1 4.38Å; L105-Y147 HydrophobicContact CD2-CD2 3.96Å; L105-Y147 HydrophobicContact CD2-CE1 3.86Å; L105-Y147 HydrophobicContact CD2-CE2 3.34Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.11Å
106	R	97.6	Very high	97.3	Very high	57 Å²	57	72 Å²	72	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-53.3	-40.9	173.7	-173.1	-172.5	65.5	178.3	9.9	112.1	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.3Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.08Å; N104-R106 PolarHBondContact O-N 2.97Å; R106-N110 PolarHBondContact O-N 3.07Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.43Å; R106-Q111 PolarHBondContact O-N 3.43Å; R106-E113 IonicContact CZ-OE1 3.5Å; R106-E113 IonicContact NH1-OE1 3.12Å; R106-E113 PolarHBondContact NH1-OE1 2.94Å; R106-E113 IonicContact NH2-OE1 2.74Å; R106-E113 PolarHBondContact NH2-OE1 3.37Å
107	G	97.6	Very high	97.3	Very high	42 Å²	42	68 Å²	68	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-46.3	174.6	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.01Å; N104-G107 CarbonylContact O-C 3.49Å; N104-G107 WeakPolarHBondContact O-CA 3.28Å; N104-G107 PolarHBondContact O-N 3.44Å; L105-G107 PolarHBondContact O-N 2.89Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.42Å; G107-N110 PolarHBondContact O-N 2.95Å; G107-N110 VanDerWaalsContact O-N 3.13Å
108	Y	98.1	Very high	97.3	Very high	59 Å²	59	66.5 Å²	66.5	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-35.7	179.8	-61.6	-15.8	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.36Å; N104-Y108 WeakPolarHBondContact O-CD1 3.43Å; N104-Y108 PolarHBondContact O-N 3.09Å; L105-Y108 PolarHBondContact O-N 3.38Å; Y108-I166 HydrophobicContact CD1-CD1 4.1Å; Y108-I166 HydrophobicContact CD2-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4.24Å; Y108-I166 HydrophobicContact CE2-CB 4.3Å; Y108-I166 HydrophobicContact CE2-CG2 4.07Å; Y108-I166 HydrophobicContact CG-CD1 4.13Å; Y108-K170 PolarHBondContact OH-NZ 2.69Å
109	Y	98.1	Very high	97.4	Very high	69 Å²	69	66.7 Å²	66.7	27%	0.271	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.5	178.1	-68.5	-70.6	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.16Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.36Å; L105-Y109 PolarHBondContact O-N 2.99Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.42Å; Y109-Q111 PolarHBondContact O-N 3.38Å; Y109-Y142 AromaticContact CD2-CD1 3.79Å; Y109-Y142 HydrophobicContact CD2-CD1 3.79Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.57Å; Y109-Y142 HydrophobicContact CE2-CD1 3.57Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.13Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.24Å; Y109-D161 PolarHBondContact OH-OD2 2.96Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	97.3	Very high	97.4	Very high	154 Å²	154	66.2 Å²	66.2	82%	0.824	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	39.6	-177.3	-57.9	-58.8	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.07Å; G107-N110 PolarHBondContact O-N 2.95Å; G107-N110 VanDerWaalsContact O-N 3.13Å
111	Q	97.6	Very high	97.4	Very high	59 Å²	59	61.8 Å²	61.8	28%	0.276	34%	0.338	S	S	.	.			trans	-86.4	151.8	-176.5	-71.1	169.5	-33.7	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.43Å; R106-Q111 PolarHBondContact O-N 3.43Å; Y109-Q111 PolarHBondContact O-N 3.38Å; Q111-H117 PolarHBondContact NE2-CE1 3.24Å; Q111-H117 PolarHBondContact OE1-CE1 2.91Å; Q111-H117 PolarHBondContact OE1-ND1 2.89Å; Q111-Y142 PolarHBondContact OE1-OH 3.18Å; Q111-D143 PolarHBondContact NE2-OD2 2.85Å
112	S	95.8	Very high	97.4	Very high	82 Å²	82	61.1 Å²	61.1	57%	0.573	33%	0.33	S	S	*	.			trans	-67.5	147.1	178.8	176.3	0	0	0	0	112.4	A114 G115	S112-A114 PolarHBondContact O-N 3.12Å; S112-A114 PolarHBondContact OG-N 3.36Å; S112-G115 PolarHBondContact O-N 3.01Å
113	E	93.3	Very high	97.5	Very high	133 Å²	133	61.6 Å²	61.6	62%	0.621	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-19	174.9	-55.3	-153.4	128.2	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.41Å; P39-E113 WeakPolarHBondContact CG-O 3.36Å; R106-E113 IonicContact CZ-OE1 3.5Å; R106-E113 IonicContact NH1-OE1 3.12Å; R106-E113 PolarHBondContact NH1-OE1 2.94Å; R106-E113 IonicContact NH2-OE1 2.74Å; R106-E113 PolarHBondContact NH2-OE1 3.37Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114	A	93.9	Very high	97.5	Very high	83 Å²	83	53.9 Å²	53.9	69%	0.686	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.3	179.1	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 3.12Å; S112-A114 PolarHBondContact OG-N 3.36Å
115	G	94.7	Very high	97.6	Very high	26 Å²	26	50.3 Å²	50.3	27%	0.268	28%	0.284	S	S	.	.	S	Bend	trans	-75.6	135.3	-179.5	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.44Å; S112-G115 PolarHBondContact O-N 3.01Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-H117 PolarHBondContact O-CD2 3.44Å; G115-H117 VanDerWaalsContact O-CD2 3.27Å
116	S	97.8	Very high	97.6	Very high	74 Å²	74	51.5 Å²	51.5	52%	0.517	29%	0.29	S	S	.	.			trans	-81.1	134.9	164.3	179.5	0	0	0	0	108.5	S37	S37-S116 WeakPolarHBondContact O-CB 3.31Å; S37-S116 PolarHBondContact O-OG 3.18Å
117	H	98.5	Very high	97.6	Very high	18 Å²	18	48.8 Å²	48.8	8%	0.083	28%	0.28	C	S	.	.			trans	-132.7	150.6	-176.4	-65	-71.6	0	0	0	110	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.02Å; S37-H117 PolarHBondContact OG-N 3.35Å; S37-H117 PolarHBondContact OG-O 3.49Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; Q111-H117 PolarHBondContact NE2-CE1 3.24Å; Q111-H117 PolarHBondContact OE1-CE1 2.91Å; Q111-H117 PolarHBondContact OE1-ND1 2.89Å; G115-H117 PolarHBondContact O-CD2 3.44Å; G115-H117 VanDerWaalsContact O-CD2 3.27Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.44Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.93Å; H117-Y142 PolarHBondContact ND1-OH 2.87Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 3.47Å; H117-D143 IonicContact CG-OD1 3.85Å; H117-D143 IonicContact CG-OD2 2.8Å; H117-D143 IonicContact ND1-OD1 3.86Å; H117-D143 IonicContact ND1-OD2 3.87Å; H117-D143 PolarHBondContact ND1-OD2 3.01Å
118	T	98.8	Very high	97.5	Very high	38 Å²	38	47 Å²	47	23%	0.233	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.1	-175.9	-60.5	0	0	0	0	110.3	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.07Å; S35-T118 CarbonylContact O-C 3.6Å; S35-T118 WeakPolarHBondContact O-CA 3.13Å; V36-T118 HydrophobicContact CG2-CG2 4.26Å; T118-Q120 HydrophobicContact CG2-CG 3.94Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 2.99Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.25Å; T118-D143 PolarHBondContact N-OD1 2.79Å; T118-D143 PolarHBondContact O-N 3.14Å
119	L	98.9	Very high	97.2	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127	170.1	175.7	62.7	0	0	0	108.5	S35 D98 L102 L105 F140	S35-L119 PolarHBondContact N-O 3.29Å; S35-L119 PolarHBondContact O-N 3.45Å; D98-L119 HydrophobicContact CB-CD2 4.23Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.1Å; L105-L119 HydrophobicContact CD1-CD1 3.83Å; L105-L119 HydrophobicContact CD1-CD2 4.3Å; L119-F140 HydrophobicContact CD1-CD1 4.11Å
120	Q	98.9	Very high	97	Very high	76 Å²	76	50.5 Å²	50.5	36%	0.355	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.8	177.2	-67.4	171.5	-80.8	0	0	110.1	Y33 T34 T118 F140 A141	Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.34Å; T34-Q120 HydrophobicContact CG2-CG 4.1Å; T118-Q120 HydrophobicContact CG2-CG 3.94Å; Q120-F140 CarbonylContact O-C 3.59Å; Q120-F140 WeakPolarHBondContact O-CA 3.44Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.75Å; Q120-A141 PolarHBondContact O-N 3.12Å
121	R	98.7	Very high	96.8	Very high	35 Å²	35	43.8 Å²	43.8	13%	0.132	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.8	172.6	-175.5	-171.1	-178.5	-174.2	-5.8	109.2	F32 Y33 Q94 Y123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.36Å; Y33-R121 HydrophobicContact CD2-CB 4.38Å; Y33-R121 PolarHBondContact N-O 3.41Å; Y33-R121 PolarHBondContact O-N 2.93Å; Q94-R121 VanDerWaalsContact OE1-NH1 3.1Å; R121-Y123 HydrophobicContact CG-CD1 4.26Å; R121-N138 PolarHBondContact NE-OD1 2.92Å; R121-N138 PolarHBondContact NH2-OD1 2.8Å; R121-Q139 CarbonylContact C-O 3.58Å; R121-Q139 WeakPolarHBondContact CA-O 3.45Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.68Å; R121-F140 HydrophobicContact CB-CG 4.42Å; R121-F140 HydrophobicContact CB-CZ 4.21Å; R121-F140 HydrophobicContact CG-CD1 3.94Å; R121-F140 HydrophobicContact CG-CD2 4.29Å; R121-F140 HydrophobicContact CG-CE1 3.55Å; R121-F140 HydrophobicContact CG-CE2 3.9Å; R121-F140 HydrophobicContact CG-CG 4.31Å; R121-F140 HydrophobicContact CG-CZ 3.54Å
122	M	98.8	Very high	96.7	Very high	22 Å²	22	49.2 Å²	49.2	11%	0.108	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.1	165.1	-175.9	-78.1	-73.7	0	0	108.4	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.3Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CZ-CG 4.05Å; M122-H137 HydrophobicContact CE-CB 4Å; M122-H137 HydrophobicContact SD-CB 4.01Å; M122-N138 CarbonylContact O-C 3.42Å; M122-N138 WeakPolarHBondContact O-CA 3.32Å; M122-Q139 HydrophobicContact CB-CG 4.15Å; M122-Q139 HydrophobicContact CE-CG 4.01Å; M122-Q139 PolarHBondContact N-O 2.74Å; M122-Q139 PolarHBondContact O-N 2.83Å
123	Y	98.8	Very high	96.8	Very high	20 Å²	20	47.7 Å²	47.7	8%	0.078	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.5	172	74.1	-82.1	0	0	0	110.9	Y31 Y33 R121 H137 N138 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.8Å; Y31-Y123 HydrophobicContact CD2-CE2 3.8Å; Y31-Y123 AromaticContact CD2-CZ 3.74Å; Y31-Y123 HydrophobicContact CG-CE1 4.21Å; Y31-Y123 HydrophobicContact CG-CE2 4.31Å; Y31-Y123 AromaticContact CG-CZ 3.79Å; Y31-Y123 PolarHBondContact N-O 3.45Å; Y31-Y123 PolarHBondContact O-N 3.35Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD2-CE1 4.31Å; Y33-Y123 AromaticContact CE1-CE1 3.95Å; Y33-Y123 HydrophobicContact CE1-CE1 3.95Å; Y33-Y123 HydrophobicContact CE2-CD1 4.49Å; Y33-Y123 AromaticContact CE2-CE1 3.61Å; Y33-Y123 HydrophobicContact CE2-CE1 3.61Å; Y33-Y123 AromaticContact CZ-CE1 3.44Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.44Å; Y33-Y123 AromaticContact CZ-CZ 3.95Å; Y33-Y123 PolarHBondContact OH-OH 2.98Å; R121-Y123 HydrophobicContact CG-CD1 4.26Å; Y123-H137 CarbonylContact C-O 3.55Å; Y123-H137 WeakPolarHBondContact CA-O 3.41Å; Y123-H137 VanDerWaalsContact CB-O 3.25Å; Y123-H137 WeakPolarHBondContact CB-O 3.18Å; Y123-N138 WeakPolarHBondContact CB-OD1 3.48Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.64Å; Y123-Y183 HydrophobicContact CE2-CE1 3.64Å; Y123-Y183 AromaticContact CE2-CZ 3.89Å
124	G	98.7	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159	-176.1	-176.2	0	0	0	0	0	113.6	M29 H137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; G124-H137 PolarHBondContact N-O 3.12Å; G124-H137 PolarHBondContact O-N 2.96Å; G124-L184 WeakPolarHBondContact O-CD2 3.5Å
125	C	98.7	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147	-175.9	52	0	0	0	0	110.9	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.45Å; M29-C125 PolarHBondContact N-O 3.39Å; M29-C125 PolarHBondContact O-N 3.48Å; C125-L133 HydrophobicContact CB-CD1 3.6Å; C125-R135 CarbonylContact C-O 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.36Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 3.15Å; C125-C188 PolarHBondContact N-SG 2.89Å; C125-C188 WeakPolarHBondContact SG-CB 3.18Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.83Å; C125-V189 HydrophobicContact CB-CG2 4.45Å
126	D	98.4	Very high	97.3	Very high	30 Å²	30	46.9 Å²	46.9	16%	0.16	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.2	172.1	-51.7	-26.3	0	0	0	108.2	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.47Å; H27-D126 WeakPolarHBondContact O-CA 3.36Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å; R30-D126 IonicContact CZ-OD1 2.7Å; R30-D126 IonicContact NE-OD1 3.66Å; R30-D126 PolarHBondContact NE-OD1 3.43Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 3.8Å; R30-D126 PolarHBondContact NH2-OD1 2.89Å; R30-D126 IonicContact NH2-OD2 3.91Å; R30-D126 PolarHBondContact NH2-OD2 3.36Å; R30-D126 VanDerWaalsContact NH2-OD2 3.12Å; D126-L134 HydrophobicContact CB-CB 4.5Å; D126-L134 PolarHBondContact O-N 3.41Å; D126-R135 HydrophobicContact CB-CB 4.37Å; D126-R135 PolarHBondContact N-O 3.01Å; D126-R135 PolarHBondContact O-N 2.81Å; D126-H137 IonicContact OD1-CD2 3.94Å; D126-H137 IonicContact OD1-NE2 2.81Å; D126-H137 IonicContact OD2-CD2 3.63Å; D126-H137 IonicContact OD2-CE1 3.37Å; D126-H137 IonicContact OD2-NE2 3.51Å; D126-H137 PolarHBondContact OD2-NE2 2.99Å
127	V	97.9	Very high	97.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146	179	-60.9	0	0	0	0	111.3	S26 H27 R132 V189 L192	S26-V127 WeakPolarHBondContact CA-O 3.38Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.96Å; H27-V127 PolarHBondContact O-N 2.89Å; V127-R132 CarbonylContact C-O 3.51Å; V127-R132 WeakPolarHBondContact CA-O 3.48Å; V127-R132 WeakPolarHBondContact CB-O 3.23Å; V127-V189 HydrophobicContact CG1-CB 4.44Å; V127-V189 HydrophobicContact CG1-CG1 4.06Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.59Å; V127-L192 HydrophobicContact CG2-CG 4.19Å
128	G	95.4	Very high	97.3	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	22%	0.216	C	C	.	.			trans	-79	179.9	174	0	0	0	0	0	112.4	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.34Å; G128-G131 WeakPolarHBondContact O-CA 3.25Å; G128-G131 PolarHBondContact O-N 2.83Å; G128-R132 PolarHBondContact N-O 3.13Å
129	P	92.9	Very high	97.3	Very high	106 Å²	106	45.3 Å²	45.3	69%	0.688	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.2	176.8	-24	33.6	0	0	0	114.1	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.39Å; G25-P129 VanDerWaalsContact O-CA 3.3Å; G25-P129 WeakPolarHBondContact O-CA 3.2Å; P129-G131 PolarHBondContact O-N 3.42Å
130	D	92.7	Very high	97.3	Very high	96 Å²	96	46.3 Å²	46.3	51%	0.513	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.1	173.9	71.1	-10.9	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.34Å; D130-R132 PolarHBondContact O-N 3.38Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 PolarHBondContact OD1-N 2.93Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 WeakPolarHBondContact OD2-CG 3.37Å; D130-R132 IonicContact OD2-CZ 3.49Å; D130-R132 IonicContact OD2-NE 3.8Å; D130-R132 IonicContact OD2-NH1 2.69Å
131	G	93	Very high	97.3	Very high	12 Å²	12	43.4 Å²	43.4	12%	0.124	21%	0.214	C	C	.	.			trans	73.4	3.9	-178.1	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.25Å; G128-G131 PolarHBondContact O-N 2.83Å; P129-G131 PolarHBondContact O-N 3.42Å; G131-V189 WeakPolarHBondContact O-CG1 3.05Å; G131-R193 VanDerWaalsContact C-NH2 3.27Å; G131-R193 PolarHBondContact O-NE 3.17Å; G131-R193 PolarHBondContact O-NH2 3.03Å
132	R	95.8	Very high	97.3	Very high	173 Å²	173	42.2 Å²	42.2	65%	0.653	21%	0.21	S	C	*	.			trans	-78.7	149.7	-179.7	-64.5	-174.7	-176.6	162.1	-2.5	111.2	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.51Å; V127-R132 WeakPolarHBondContact CA-O 3.48Å; V127-R132 WeakPolarHBondContact CB-O 3.23Å; G128-R132 PolarHBondContact N-O 3.13Å; D130-R132 PolarHBondContact O-N 3.38Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 PolarHBondContact OD1-N 2.93Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 WeakPolarHBondContact OD2-CG 3.37Å; D130-R132 IonicContact OD2-CZ 3.49Å; D130-R132 IonicContact OD2-NE 3.8Å; D130-R132 IonicContact OD2-NH1 2.69Å; R132-L134 PolarHBondContact O-N 3.26Å
133	L	97.6	Very high	97.3	Very high	50 Å²	50	44 Å²	44	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	124.2	175.6	-175.4	73	0	0	0	110	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.6Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; L133-L154 HydrophobicContact CD2-CD1 4.14Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L133-V189 HydrophobicContact CB-CG2 3.97Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å; L133-V189 HydrophobicContact CG-CG2 4.48Å
134	L	97.3	Very high	97.2	Very high	114 Å²	114	45.9 Å²	45.9	60%	0.597	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	-45	167.9	-64.6	178	0	0	0	110.6	D126 R132	D126-L134 HydrophobicContact CB-CB 4.5Å; D126-L134 PolarHBondContact O-N 3.41Å; R132-L134 PolarHBondContact O-N 3.26Å
135	R	97.1	Very high	97.2	Very high	106 Å²	106	53.5 Å²	53.5	40%	0.4	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	138.3	-175.5	-171.7	172.7	176.1	137.6	8.9	111.6	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.36Å; D126-R135 HydrophobicContact CB-CB 4.37Å; D126-R135 PolarHBondContact N-O 3.01Å; D126-R135 PolarHBondContact O-N 2.81Å; L133-R135 WeakPolarHBondContact CD1-O 3.38Å; R135-H137 WeakPolarHBondContact CD-CE1 3.23Å; R135-H137 PolarHBondContact NE-CE1 2.79Å; R135-E152 IonicContact CZ-OE1 3.6Å; R135-E152 IonicContact NH1-OE1 3.03Å; R135-E152 PolarHBondContact NH1-OE1 3.33Å; R135-E152 IonicContact NH2-OE1 3.55Å; R135-E152 PolarHBondContact NH2-OE1 2.86Å
136	G	98.1	Very high	97.2	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.9	168.6	0	0	0	0	0	111
137	H	98.3	Very high	97.3	Very high	19 Å²	19	58.5 Å²	58.5	9%	0.088	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.3	-178.1	-55.9	-93.4	0	0	0	110.2	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.88Å; R30-H137 VanDerWaalsContact NH2-NE2 3.14Å; M122-H137 HydrophobicContact CE-CB 4Å; M122-H137 HydrophobicContact SD-CB 4.01Å; Y123-H137 CarbonylContact C-O 3.55Å; Y123-H137 WeakPolarHBondContact CA-O 3.41Å; Y123-H137 VanDerWaalsContact CB-O 3.25Å; Y123-H137 WeakPolarHBondContact CB-O 3.18Å; G124-H137 PolarHBondContact N-O 3.12Å; G124-H137 PolarHBondContact O-N 2.96Å; D126-H137 IonicContact OD1-CD2 3.94Å; D126-H137 IonicContact OD1-NE2 2.81Å; D126-H137 IonicContact OD2-CD2 3.63Å; D126-H137 IonicContact OD2-CE1 3.37Å; D126-H137 IonicContact OD2-NE2 3.51Å; D126-H137 PolarHBondContact OD2-NE2 2.99Å; R135-H137 WeakPolarHBondContact CD-CE1 3.23Å; R135-H137 PolarHBondContact NE-CE1 2.79Å
138	N	98.7	Very high	97.3	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	106	164.2	178.1	84.3	0	0	0	109.2	R121 M122 Y123 L150 L180	R121-N138 PolarHBondContact NE-OD1 2.92Å; R121-N138 PolarHBondContact NH2-OD1 2.8Å; M122-N138 CarbonylContact O-C 3.42Å; M122-N138 WeakPolarHBondContact O-CA 3.32Å; Y123-N138 WeakPolarHBondContact CB-OD1 3.48Å; N138-L150 HydrophobicContact CB-CB 4.11Å; N138-L150 HydrophobicContact CB-CD2 4.21Å; N138-L150 WeakPolarHBondContact O-CB 3.39Å; N138-L150 PolarHBondContact O-N 2.84Å; N138-L180 HydrophobicContact CB-CD1 4.3Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.41Å
139	Q	98.7	Very high	97.5	Very high	76 Å²	76	59.8 Å²	59.8	36%	0.355	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.6	-175.1	65.1	-167.3	48.9	0	0	111.6	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.58Å; R121-Q139 WeakPolarHBondContact CA-O 3.45Å; M122-Q139 HydrophobicContact CB-CG 4.15Å; M122-Q139 HydrophobicContact CE-CG 4.01Å; M122-Q139 PolarHBondContact N-O 2.74Å; M122-Q139 PolarHBondContact O-N 2.83Å; Q139-I148 WeakPolarHBondContact CA-O 3.46Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	F	98.8	Very high	97.7	Very high	24 Å²	24	55.5 Å²	55.5	11%	0.105	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.6	179.9	-67.3	-103.7	0	0	0	110.7	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.11Å; Q120-F140 CarbonylContact O-C 3.59Å; Q120-F140 WeakPolarHBondContact O-CA 3.44Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.68Å; R121-F140 HydrophobicContact CB-CG 4.42Å; R121-F140 HydrophobicContact CB-CZ 4.21Å; R121-F140 HydrophobicContact CG-CD1 3.94Å; R121-F140 HydrophobicContact CG-CD2 4.29Å; R121-F140 HydrophobicContact CG-CE1 3.55Å; R121-F140 HydrophobicContact CG-CE2 3.9Å; R121-F140 HydrophobicContact CG-CG 4.31Å; R121-F140 HydrophobicContact CG-CZ 3.54Å; F140-Y147 HydrophobicContact CB-CD1 4.4Å; F140-Y147 WeakPolarHBondContact O-CB 3.39Å; F140-Y147 PolarHBondContact O-N 2.86Å; F140-I148 HydrophobicContact CB-CG2 4.21Å; F140-I148 HydrophobicContact CD2-CG2 4.11Å; F140-I148 HydrophobicContact CG-CG2 4.48Å; F140-I148 PolarHBondContact N-O 2.85Å; F140-I148 PolarHBondContact O-N 3.34Å; F140-W171 AromaticContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CZ3 4.27Å; F140-W171 AromaticContact CE2-CH2 3.39Å; F140-W171 HydrophobicContact CE2-CH2 3.39Å; F140-W171 HydrophobicContact CE2-CZ2 4.41Å; F140-W171 HydrophobicContact CE2-CZ3 4.02Å; F140-W171 AromaticContact CZ-CH2 3.85Å; F140-W171 HydrophobicContact CZ-CH2 3.85Å; F140-W171 HydrophobicContact CZ-CZ2 4.49Å
141	A	98.9	Very high	98	Very high	15 Å²	15	53 Å²	53	12%	0.124	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.9	170.6	0	0	0	0	0	110.2	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.75Å; Q120-A141 PolarHBondContact O-N 3.12Å; A141-K145 CarbonylContact C-O 3.58Å; A141-K145 WeakPolarHBondContact CA-O 3.4Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.5Å
142	Y	98.8	Very high	98.2	Very high	10 Å²	10	58.9 Å²	58.9	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.8	176.5	-175.9	-116.8	0	0	0	109.8	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.01Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.1Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CG 4.09Å; L105-Y142 HydrophobicContact CD2-CG 4.43Å; L105-Y142 HydrophobicContact CG-CD2 4.33Å; L105-Y142 HydrophobicContact CG-CE2 4.4Å; Y109-Y142 AromaticContact CD2-CD1 3.79Å; Y109-Y142 HydrophobicContact CD2-CD1 3.79Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.57Å; Y109-Y142 HydrophobicContact CE2-CD1 3.57Å; Y109-Y142 AromaticContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CE2-CE1 3.87Å; Y109-Y142 HydrophobicContact CG-CE1 4.47Å; Q111-Y142 PolarHBondContact OE1-OH 3.18Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.44Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.93Å; H117-Y142 PolarHBondContact ND1-OH 2.87Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 2.99Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.25Å; Y142-G144 PolarHBondContact O-N 3.1Å; Y142-K145 PolarHBondContact N-O 3.24Å; Y142-K145 PolarHBondContact O-N 3.4Å
143	D	98.4	Very high	98.3	Very high	61 Å²	61	54.5 Å²	54.5	33%	0.326	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.7	-174.6	-65.9	-22.5	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.85Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 3.47Å; H117-D143 IonicContact CG-OD1 3.85Å; H117-D143 IonicContact CG-OD2 2.8Å; H117-D143 IonicContact ND1-OD1 3.86Å; H117-D143 IonicContact ND1-OD2 3.87Å; H117-D143 PolarHBondContact ND1-OD2 3.01Å; T118-D143 PolarHBondContact N-OD1 2.79Å; T118-D143 PolarHBondContact O-N 3.14Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3Å
144	G	97.8	Very high	98.3	Very high	59 Å²	59	52.6 Å²	52.6	61%	0.608	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	7.9	177.8	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.1Å
145	K	98.6	Very high	98.4	Very high	160 Å²	160	50.5 Å²	50.5	70%	0.696	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	144.8	176.8	-62.3	179.2	-177.5	177.6	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.58Å; A141-K145 WeakPolarHBondContact CA-O 3.4Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.5Å; Y142-K145 PolarHBondContact N-O 3.24Å; Y142-K145 PolarHBondContact O-N 3.4Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3Å; K145-Y147 PolarHBondContact O-N 3.07Å
146	D	98.7	Very high	98.4	Very high	125 Å²	125	47.1 Å²	47.1	67%	0.668	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.9	135.3	174	-67	-33.8	0	0	0	110.7	A160	D146-A160 WeakPolarHBondContact O-CB 3.31Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.035	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-63.6	-179.4	179.1	-108.4	0	0	0	110.6	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.38Å; L105-Y147 HydrophobicContact CD2-CD2 3.96Å; L105-Y147 HydrophobicContact CD2-CE1 3.86Å; L105-Y147 HydrophobicContact CD2-CE2 3.34Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.11Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.13Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; F140-Y147 HydrophobicContact CB-CD1 4.4Å; F140-Y147 WeakPolarHBondContact O-CB 3.39Å; F140-Y147 PolarHBondContact O-N 2.86Å; K145-Y147 PolarHBondContact O-N 3.07Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 3Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 2.98Å; Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.42Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.33Å; Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 PolarHBondContact OH-OG1 3.49Å
148	I	98.8	Very high	98.5	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.5	178.5	-161.3	173.6	0	0	0	110.5	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.46Å; F140-I148 HydrophobicContact CB-CG2 4.21Å; F140-I148 HydrophobicContact CD2-CG2 4.11Å; F140-I148 HydrophobicContact CG-CG2 4.48Å; F140-I148 PolarHBondContact N-O 2.85Å; F140-I148 PolarHBondContact O-N 3.34Å; I148-W157 HydrophobicContact CD1-CB 4.28Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.16Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 4.05Å; I148-T158 WeakPolarHBondContact CA-O 3.32Å; I148-T158 WeakPolarHBondContact CG1-O 3.44Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.19Å; I148-W171 HydrophobicContact CD1-CZ3 4.37Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.72Å
149	A	98.8	Very high	98.5	Very high	30 Å²	30	51.3 Å²	51.3	25%	0.248	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.9	179	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; A149-T158 PolarHBondContact N-O 3.19Å; A149-T158 PolarHBondContact O-N 3.45Å
150	L	98.8	Very high	98.5	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.6	167.6	-176.2	68.2	0	0	0	108.3	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 4.11Å; N138-L150 HydrophobicContact CB-CD2 4.21Å; N138-L150 WeakPolarHBondContact O-CB 3.39Å; N138-L150 PolarHBondContact O-N 2.84Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; L150-W157 HydrophobicContact CB-CE3 4.09Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.73Å; L150-W157 HydrophobicContact CD1-CD2 4.24Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; L150-A177 HydrophobicContact CD1-CB 3.98Å; L150-L180 HydrophobicContact CD2-CB 4.21Å; L150-L180 HydrophobicContact CD2-CD1 4.41Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	51.9 Å²	51.9	24%	0.235	31%	0.306	C	S	.	.			trans	-72.7	164	-179.7	-67.7	-26.8	0	0	0	111.5	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 3.32Å; N151-D153 VanDerWaalsContact O-N 3.1Å; N151-L154 PolarHBondContact O-N 3.4Å; N151-S156 WeakPolarHBondContact CB-O 3.22Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 2.94Å; N151-S156 PolarHBondContact ND2-OG 2.6Å; N151-W157 PolarHBondContact ND2-N 3.46Å; N151-T158 PolarHBondContact ND2-OG1 2.95Å; N151-T158 WeakPolarHBondContact OD1-CB 3.23Å; N151-T158 PolarHBondContact OD1-OG1 2.74Å
152	E	97.5	Very high	98.4	Very high	135 Å²	135	56.4 Å²	56.4	63%	0.631	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.8	-178.9	-66.6	-179.2	-174	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.6Å; R135-E152 IonicContact NH1-OE1 3.03Å; R135-E152 PolarHBondContact NH1-OE1 3.33Å; R135-E152 IonicContact NH2-OE1 3.55Å; R135-E152 PolarHBondContact NH2-OE1 2.86Å; E152-L154 PolarHBondContact O-N 3.39Å
153	D	97.6	Very high	98.4	Very high	82 Å²	82	56.2 Å²	56.2	44%	0.439	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.8	174.4	68.3	22.4	0	0	0	114.1	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.32Å; N151-D153 VanDerWaalsContact O-N 3.1Å; D153-S155 PolarHBondContact O-N 2.91Å; D153-S155 VanDerWaalsContact O-N 3.13Å; D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 PolarHBondContact OD1-N 3.15Å; D153-S155 PolarHBondContact OD1-OG 2.95Å; D153-S155 PolarHBondContact OD2-OG 3.39Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.88Å; D153-S156 PolarHBondContact OD1-OG 2.83Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 3.06Å
154	L	98.1	Very high	98.4	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.047	32%	0.317	C	S	.	.	S	Bend	trans	54.1	26.2	-177.2	-52.5	-178.3	0	0	0	114.3	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.14Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; N151-L154 PolarHBondContact O-N 3.4Å; E152-L154 PolarHBondContact O-N 3.39Å; L154-R181 HydrophobicContact CB-CB 4.1Å; L154-R181 HydrophobicContact CB-CG 3.97Å; L154-R181 HydrophobicContact CD1-CG 4.3Å; L154-L184 HydrophobicContact CD2-CD1 4.01Å; L154-E185 HydrophobicContact CD1-CG 4.15Å
155	S	97.8	Very high	98.4	Very high	70 Å²	70	54 Å²	54	49%	0.49	30%	0.304	S	S	.	.	S	Bend	trans	-136.5	-26.9	-174.8	70	0	0	0	0	113.4	D153 A177	D153-S155 PolarHBondContact O-N 2.91Å; D153-S155 VanDerWaalsContact O-N 3.13Å; D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 PolarHBondContact OD1-N 3.15Å; D153-S155 PolarHBondContact OD1-OG 2.95Å; D153-S155 PolarHBondContact OD2-OG 3.39Å; S155-A177 WeakPolarHBondContact O-CB 3.27Å
156	S	98.1	Very high	98.4	Very high	36 Å²	36	49.2 Å²	49.2	25%	0.252	29%	0.286	S	S	.	.			trans	-118.8	165.3	-177.8	70.3	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.22Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 2.94Å; N151-S156 PolarHBondContact ND2-OG 2.6Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.88Å; D153-S156 PolarHBondContact OD1-OG 2.83Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 3.06Å
157	W	98.8	Very high	98.4	Very high	12 Å²	12	44 Å²	44	5%	0.045	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.3	-174.6	-60.7	92.9	0	0	0	111.6	I148 A149 L150 N151 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.28Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.16Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.38Å; I148-W157 HydrophobicContact CG1-CE3 4.05Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; L150-W157 HydrophobicContact CB-CE3 4.09Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.73Å; L150-W157 HydrophobicContact CD1-CD2 4.24Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; N151-W157 PolarHBondContact ND2-N 3.46Å; W157-Q168 HydrophobicContact CB-CG 4.08Å; W157-Q168 PolarHBondContact O-NE2 3.13Å; W157-W171 HydrophobicContact CD2-CE3 4.06Å; W157-W171 AromaticContact CE2-CE3 3.86Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CH2-CD2 4.4Å; W157-W171 AromaticContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CE3 3.25Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.49Å; W157-W171 HydrophobicContact CZ3-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.49Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; W157-V176 HydrophobicContact CH2-CG1 4.44Å; W157-V176 HydrophobicContact CZ2-CB 4.28Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; W157-L180 HydrophobicContact CH2-CD1 3.41Å; W157-L180 VanDerWaalsContact CH2-CD1 3.41Å; W157-L180 HydrophobicContact CZ2-CD1 3.9Å
158	T	98.8	Very high	98.4	Very high	79 Å²	79	45.5 Å²	45.5	49%	0.485	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.8	165.5	-65.6	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.32Å; I148-T158 WeakPolarHBondContact CG1-O 3.44Å; A149-T158 PolarHBondContact N-O 3.19Å; A149-T158 PolarHBondContact O-N 3.45Å; N151-T158 PolarHBondContact ND2-OG1 2.95Å; N151-T158 WeakPolarHBondContact OD1-CB 3.23Å; N151-T158 PolarHBondContact OD1-OG1 2.74Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	52.8 Å²	52.8	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.6	175.5	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.46Å
160	A	98.5	Very high	98.4	Very high	59 Å²	59	56.5 Å²	56.5	49%	0.488	30%	0.304	S	S	.	.	S	Bend	trans	-74	-31.8	-176.7	0	0	0	0	0	113.4	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.31Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 3Å
161	D	98.3	Very high	98.4	Very high	54 Å²	54	58.7 Å²	58.7	29%	0.289	31%	0.311	S	S	.	.	S	Bend	trans	-151.3	-174.7	-178.1	66.4	27.8	0	0	0	113.1	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.24Å; Y109-D161 PolarHBondContact OH-OD2 2.96Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.48Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.5Å; D161-A163 PolarHBondContact OD1-N 3.3Å; D161-A164 PolarHBondContact O-N 3.39Å; D161-A164 PolarHBondContact OD1-N 2.93Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 2.7Å
162	T	98.3	Very high	98.4	Very high	110 Å²	110	61 Å²	61	68%	0.675	32%	0.32	S	S	*	.	H	α-helix	trans	-66.8	-27.4	-178.7	52.1	0	0	0	0	113.7
163	A	98.3	Very high	98.4	Very high	5 Å²	5	58.8 Å²	58.8	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-72.3	-44.2	174	0	0	0	0	0	110.1	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 2.98Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.48Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.5Å; D161-A163 PolarHBondContact OD1-N 3.3Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.93Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.3Å; A163-I166 PolarHBondContact O-N 3.49Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-34.1	174.5	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.42Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.33Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 3.39Å; D161-A164 PolarHBondContact OD1-N 2.93Å; A164-I166 PolarHBondContact O-N 2.87Å; A164-T167 WeakPolarHBondContact O-CB 3.42Å; A164-T167 PolarHBondContact O-N 3.35Å; A164-T167 VanDerWaalsContact O-N 3.07Å; A164-Q168 PolarHBondContact O-N 3.34Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	64.9 Å²	64.9	35%	0.346	36%	0.355	S	S	.	.	H	α-helix	trans	-60.5	-27.8	173.3	-73.1	173.7	9.1	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 2.7Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.93Å; Q165-R169 WeakPolarHBondContact O-CG 3.25Å; Q165-R169 PolarHBondContact O-N 2.92Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.5	Very high	98.5	Very high	59 Å²	59	63 Å²	63	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-45.8	173.9	-57.7	170.4	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.1Å; Y108-I166 HydrophobicContact CD2-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CG2 4.24Å; Y108-I166 HydrophobicContact CE2-CB 4.3Å; Y108-I166 HydrophobicContact CE2-CG2 4.07Å; Y108-I166 HydrophobicContact CG-CD1 4.13Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.3Å; A163-I166 PolarHBondContact O-N 3.49Å; A164-I166 PolarHBondContact O-N 2.87Å; I166-K170 WeakPolarHBondContact O-CG 3.2Å; I166-K170 PolarHBondContact O-N 3.48Å
167	T	98.5	Very high	98.5	Very high	17 Å²	17	61.6 Å²	61.6	10%	0.104	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-44.8	174.8	-68.2	0	0	0	0	111.3	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 PolarHBondContact OH-OG1 3.49Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; A164-T167 WeakPolarHBondContact O-CB 3.42Å; A164-T167 PolarHBondContact O-N 3.35Å; A164-T167 VanDerWaalsContact O-N 3.07Å; T167-R169 PolarHBondContact O-N 3.4Å; T167-K170 WeakPolarHBondContact O-CB 3.42Å; T167-K170 PolarHBondContact O-N 3.35Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.12Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 3.81Å; T167-W171 HydrophobicContact CG2-CZ3 4.36Å; T167-W171 WeakPolarHBondContact O-CB 3.36Å; T167-W171 PolarHBondContact O-N 2.88Å
168	Q	98.7	Very high	98.5	Very high	39 Å²	39	66.1 Å²	66.1	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-52.2	-53.7	177.6	177.6	175	12.7	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.08Å; W157-Q168 PolarHBondContact O-NE2 3.13Å; A159-Q168 HydrophobicContact CB-CB 4.46Å; A164-Q168 PolarHBondContact O-N 3.34Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.02Å; Q168-W171 PolarHBondContact O-N 3.12Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.5Å; Q168-E172 PolarHBondContact NE2-OE1 3.3Å; Q168-E172 WeakPolarHBondContact O-CB 3.19Å; Q168-E172 WeakPolarHBondContact O-CG 3.03Å; Q168-E172 PolarHBondContact O-N 2.83Å
169	R	98.7	Very high	98.4	Very high	157 Å²	157	69 Å²	69	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-58.8	-39.2	179.8	-68.9	170.8	-166.4	151.3	8.4	112.4	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.25Å; Q165-R169 PolarHBondContact O-N 2.92Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 3.4Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.05Å; R169-A173 PolarHBondContact O-N 3.45Å
170	K	98.4	Very high	98.4	Very high	107 Å²	107	68.9 Å²	68.9	47%	0.465	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-43.3	176.5	-71.9	177.5	175.6	-173.3	0	111.6	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.69Å; I166-K170 WeakPolarHBondContact O-CG 3.2Å; I166-K170 PolarHBondContact O-N 3.48Å; T167-K170 WeakPolarHBondContact O-CB 3.42Å; T167-K170 PolarHBondContact O-N 3.35Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.02Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.28Å; K170-A174 PolarHBondContact O-N 3.34Å
171	W	98.5	Very high	98.4	Very high	61 Å²	61	71.2 Å²	71.2	23%	0.231	35%	0.353	C	S	.	.	H	α-helix	trans	-72.8	-35.5	-178.2	-76.2	8	0	0	0	112.9	F140 I148 W157 T167 Q168 A174 R175 V176	F140-W171 AromaticContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CH2 3.79Å; F140-W171 HydrophobicContact CD2-CZ3 4.27Å; F140-W171 AromaticContact CE2-CH2 3.39Å; F140-W171 HydrophobicContact CE2-CH2 3.39Å; F140-W171 HydrophobicContact CE2-CZ2 4.41Å; F140-W171 HydrophobicContact CE2-CZ3 4.02Å; F140-W171 AromaticContact CZ-CH2 3.85Å; F140-W171 HydrophobicContact CZ-CH2 3.85Å; F140-W171 HydrophobicContact CZ-CZ2 4.49Å; I148-W171 HydrophobicContact CD1-CE3 4.19Å; I148-W171 HydrophobicContact CD1-CZ3 4.37Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.72Å; W157-W171 HydrophobicContact CD2-CE3 4.06Å; W157-W171 AromaticContact CE2-CE3 3.86Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CH2-CD2 4.4Å; W157-W171 AromaticContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CE3 3.25Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.49Å; W157-W171 HydrophobicContact CZ3-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.49Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.12Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 3.81Å; T167-W171 HydrophobicContact CG2-CZ3 4.36Å; T167-W171 WeakPolarHBondContact O-CB 3.36Å; T167-W171 PolarHBondContact O-N 2.88Å; Q168-W171 PolarHBondContact O-N 3.12Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 2.85Å; W171-R175 PolarHBondContact O-N 3.18Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.89Å; W171-V176 HydrophobicContact CD2-CB 4.5Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CG-CB 4.11Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.83Å; W171-V176 PolarHBondContact O-N 3.05Å
172	E	98.6	Very high	98.4	Very high	93 Å²	93	73.4 Å²	73.4	44%	0.435	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-47.6	171.1	-72.7	170	174.5	0	0	110.9	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.5Å; Q168-E172 PolarHBondContact NE2-OE1 3.3Å; Q168-E172 WeakPolarHBondContact O-CB 3.19Å; Q168-E172 WeakPolarHBondContact O-CG 3.03Å; Q168-E172 PolarHBondContact O-N 2.83Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.08Å; E172-R175 PolarHBondContact O-N 3.35Å
173	A	98.4	Very high	98.4	Very high	89 Å²	89	71.1 Å²	71.1	74%	0.736	35%	0.348	S	S	*	.	H	α-helix	trans	-60.9	-35.8	176.5	0	0	0	0	0	112.6	R169	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.05Å; R169-A173 PolarHBondContact O-N 3.45Å
174	A	98.3	Very high	98.4	Very high	61 Å²	61	71 Å²	71	50%	0.504	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.5	176.9	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.28Å; K170-A174 PolarHBondContact O-N 3.34Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 2.85Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.08Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.04Å; A174-V176 PolarHBondContact O-N 3.32Å
175	R	98.1	Very high	98.4	Very high	158 Å²	158	75 Å²	75	60%	0.596	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39	-178.9	-58.8	178.6	171.8	-145	6.1	114.2	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.18Å; E172-R175 PolarHBondContact O-N 3.35Å; R175-A177 PolarHBondContact O-N 2.84Å; R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 WeakPolarHBondContact CD-OE1 3.34Å; R175-E178 IonicContact CZ-OE1 3.94Å; R175-E178 IonicContact NE-OE1 2.7Å; R175-E178 IonicContact NH1-OE1 3Å; R175-E178 PolarHBondContact NH1-OE1 3.39Å; R175-E178 VanDerWaalsContact NH1-OE1 3.12Å; R175-E178 IonicContact NH1-OE2 3.35Å; R175-E178 PolarHBondContact O-N 2.89Å; R175-E178 VanDerWaalsContact O-N 3.12Å
176	V	98.4	Very high	98.4	Very high	29 Å²	29	72.6 Å²	72.6	18%	0.176	36%	0.36	C	S	.	.	H	α-helix	trans	-59.3	-33.3	-177.3	176.1	0	0	0	0	112	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.44Å; W157-V176 HydrophobicContact CZ2-CB 4.28Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.89Å; W171-V176 HydrophobicContact CD2-CB 4.5Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CG-CB 4.11Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.83Å; W171-V176 PolarHBondContact O-N 3.05Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.04Å; A174-V176 PolarHBondContact O-N 3.32Å; V176-E178 VanDerWaalsContact C-N 3.32Å; V176-E178 PolarHBondContact O-N 3.12Å; V176-Q179 PolarHBondContact O-N 3.33Å; V176-L180 HydrophobicContact CG1-CD1 3.91Å; V176-L180 HydrophobicContact CG1-CG 4.3Å; V176-L180 PolarHBondContact O-N 3.05Å; V176-L180 VanDerWaalsContact O-N 3.1Å
177	A	98.4	Very high	98.3	Very high	8 Å²	8	72.6 Å²	72.6	7%	0.066	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-37.4	178.1	0	0	0	0	0	112.8	L150 S155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.98Å; S155-A177 WeakPolarHBondContact O-CB 3.27Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; R175-A177 PolarHBondContact O-N 2.84Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.83Å; A177-L180 PolarHBondContact O-N 3.25Å; A177-R181 VanDerWaalsContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.31Å; A177-R181 PolarHBondContact O-N 2.92Å
178	E	98.1	Very high	98.4	Very high	106 Å²	106	71.8 Å²	71.8	50%	0.495	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-39.7	179	-63.9	177.7	-171.4	0	0	111.6	R175 V176 T182	R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 WeakPolarHBondContact CD-OE1 3.34Å; R175-E178 IonicContact CZ-OE1 3.94Å; R175-E178 IonicContact NE-OE1 2.7Å; R175-E178 IonicContact NH1-OE1 3Å; R175-E178 PolarHBondContact NH1-OE1 3.39Å; R175-E178 VanDerWaalsContact NH1-OE1 3.12Å; R175-E178 IonicContact NH1-OE2 3.35Å; R175-E178 PolarHBondContact O-N 2.89Å; R175-E178 VanDerWaalsContact O-N 3.12Å; V176-E178 VanDerWaalsContact C-N 3.32Å; V176-E178 PolarHBondContact O-N 3.12Å; E178-T182 PolarHBondContact O-N 3.2Å; E178-T182 VanDerWaalsContact O-N 3.08Å; E178-T182 PolarHBondContact O-OG1 2.92Å
179	Q	97.3	Very high	98.3	Very high	140 Å²	140	70.2 Å²	70.2	65%	0.654	35%	0.351	S	S	*	.	H	α-helix	trans	-68.4	-45	177.2	-62.9	-179.9	-4.6	0	0	111.6	V176 A177 T182 Y183	V176-Q179 PolarHBondContact O-N 3.33Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.83Å; Q179-T182 PolarHBondContact O-N 2.92Å; Q179-Y183 PolarHBondContact O-N 2.76Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å
180	L	98.2	Very high	98.3	Very high	21 Å²	21	69 Å²	69	11%	0.11	35%	0.351	C	S	.	.	H	α-helix	trans	-64.5	-42.9	178	-71.4	171.4	0	0	0	111.5	N138 L150 W157 V176 A177 T182 Y183 L184	N138-L180 HydrophobicContact CB-CD1 4.3Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.41Å; L150-L180 HydrophobicContact CD2-CB 4.21Å; L150-L180 HydrophobicContact CD2-CD1 4.41Å; W157-L180 HydrophobicContact CH2-CD1 3.41Å; W157-L180 VanDerWaalsContact CH2-CD1 3.41Å; W157-L180 HydrophobicContact CZ2-CD1 3.9Å; V176-L180 HydrophobicContact CG1-CD1 3.91Å; V176-L180 HydrophobicContact CG1-CG 4.3Å; V176-L180 PolarHBondContact O-N 3.05Å; V176-L180 VanDerWaalsContact O-N 3.1Å; A177-L180 PolarHBondContact O-N 3.25Å; L180-T182 VanDerWaalsContact C-N 3.34Å; L180-T182 PolarHBondContact O-N 3.04Å; L180-Y183 PolarHBondContact O-N 2.76Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 WeakPolarHBondContact O-CG 3.3Å; L180-L184 PolarHBondContact O-N 3.02Å
181	R	98.4	Very high	98.3	Very high	107 Å²	107	66.1 Å²	66.1	40%	0.404	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-47.8	174.8	-178.5	178.2	176.4	167.5	10.4	111.4	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.1Å; L154-R181 HydrophobicContact CB-CG 3.97Å; L154-R181 HydrophobicContact CD1-CG 4.3Å; A177-R181 VanDerWaalsContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.31Å; A177-R181 PolarHBondContact O-N 2.92Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.1Å; R181-L184 PolarHBondContact O-N 2.04Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.46Å; R181-E185 IonicContact CZ-OE1 3.67Å; R181-E185 IonicContact CZ-OE2 3.79Å; R181-E185 VanDerWaalsContact NE-CD 3.25Å; R181-E185 IonicContact NE-OE1 3.85Å; R181-E185 PolarHBondContact NE-OE1 3.23Å; R181-E185 IonicContact NE-OE2 2.91Å; R181-E185 PolarHBondContact NE-OE2 3.38Å; R181-E185 IonicContact NH2-OE1 2.81Å; R181-E185 PolarHBondContact NH2-OE1 2.62Å; R181-E185 IonicContact NH2-OE2 3.7Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 PolarHBondContact O-N 3.32Å
182	T	98.4	Very high	98.4	Very high	101 Å²	101	63.2 Å²	63.2	62%	0.62	33%	0.327	S	S	*	.	H	α-helix	trans	-57.4	-43.1	177.4	-57.4	0	0	0	0	111.7	E178 Q179 L180 G186	E178-T182 PolarHBondContact O-N 3.2Å; E178-T182 VanDerWaalsContact O-N 3.08Å; E178-T182 PolarHBondContact O-OG1 2.92Å; Q179-T182 PolarHBondContact O-N 2.92Å; L180-T182 VanDerWaalsContact C-N 3.34Å; L180-T182 PolarHBondContact O-N 3.04Å; T182-G186 PolarHBondContact O-N 2.87Å; T182-G186 VanDerWaalsContact O-N 3.14Å
183	Y	98.4	Very high	98.3	Very high	62 Å²	62	64.3 Å²	64.3	24%	0.243	33%	0.327	C	S	.	.	I	π-helix	trans	-66	-46.1	175.5	171.2	-94.4	0	0	0	112.5	Y123 Q179 L180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.64Å; Y123-Y183 HydrophobicContact CE2-CE1 3.64Å; Y123-Y183 AromaticContact CE2-CZ 3.89Å; Q179-Y183 PolarHBondContact O-N 2.76Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å; L180-Y183 PolarHBondContact O-N 2.76Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.1Å; Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.75Å; Y183-T187 PolarHBondContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.3Å; Y183-C188 PolarHBondContact O-N 3.28Å
184	L	98.6	Very high	98.3	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	31%	0.314	C	S	.	.	I	π-helix	trans	-70.8	-40.2	-174.3	-70.4	170.4	0	0	0	112.5	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.5Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å; L154-L184 HydrophobicContact CD2-CD1 4.01Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 WeakPolarHBondContact O-CG 3.3Å; L180-L184 PolarHBondContact O-N 3.02Å; R181-L184 PolarHBondContact O-N 2.04Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å
185	E	98.3	Very high	98.3	Very high	86 Å²	86	63 Å²	63	40%	0.402	29%	0.29	S	S	.	.	I	π-helix	trans	-77.9	-27.8	177.8	-70.1	179.1	160.4	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L154-E185 HydrophobicContact CD1-CG 4.15Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.46Å; R181-E185 IonicContact CZ-OE1 3.67Å; R181-E185 IonicContact CZ-OE2 3.79Å; R181-E185 VanDerWaalsContact NE-CD 3.25Å; R181-E185 IonicContact NE-OE1 3.85Å; R181-E185 PolarHBondContact NE-OE1 3.23Å; R181-E185 IonicContact NE-OE2 2.91Å; R181-E185 PolarHBondContact NE-OE2 3.38Å; R181-E185 IonicContact NH2-OE1 2.81Å; R181-E185 PolarHBondContact NH2-OE1 2.62Å; R181-E185 IonicContact NH2-OE2 3.7Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 PolarHBondContact O-N 3.32Å
186	G	98.3	Very high	98.3	Very high	22 Å²	22	56.1 Å²	56.1	23%	0.227	27%	0.265	C	S	.	.	I	π-helix	trans	-106.1	-93.2	-178.8	0	0	0	0	0	112.5	T182 C188 V189 E190	T182-G186 PolarHBondContact O-N 2.87Å; T182-G186 VanDerWaalsContact O-N 3.14Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.85Å; G186-C188 VanDerWaalsContact O-N 3.14Å; G186-V189 PolarHBondContact O-N 2.83Å; G186-E190 PolarHBondContact O-N 3.29Å
187	T	98.3	Very high	98.2	Very high	59 Å²	59	60.3 Å²	60.3	36%	0.362	28%	0.283	S	S	.	.	I	π-helix	trans	-48.3	-46.4	-171.4	-54.5	0	0	0	0	113.3	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.75Å; Y183-T187 PolarHBondContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 2.99Å; T187-E190 PolarHBondContact O-N 3.13Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.34Å; T187-W191 PolarHBondContact O-N 2.9Å
188	C	98.7	Very high	98.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-48.8	-179.1	-172.2	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.25Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 3.15Å; C125-C188 PolarHBondContact N-SG 2.89Å; C125-C188 WeakPolarHBondContact SG-CB 3.18Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.83Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.3Å; Y183-C188 PolarHBondContact O-N 3.28Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.85Å; G186-C188 VanDerWaalsContact O-N 3.14Å; C188-W191 PolarHBondContact O-N 2.99Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 3.1Å
189	V	98.6	Very high	98.1	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-42.8	179.7	172.7	0	0	0	0	111.1	C125 V127 G131 L133 L184 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.45Å; V127-V189 HydrophobicContact CG1-CB 4.44Å; V127-V189 HydrophobicContact CG1-CG1 4.06Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; G131-V189 WeakPolarHBondContact O-CG1 3.05Å; L133-V189 HydrophobicContact CB-CG2 3.97Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å; L133-V189 HydrophobicContact CG-CG2 4.48Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å; G186-V189 PolarHBondContact O-N 2.83Å; T187-V189 PolarHBondContact O-N 2.99Å; V189-L192 PolarHBondContact O-N 3.01Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.21Å; V189-R193 PolarHBondContact O-N 2.88Å
190	E	98.5	Very high	98	Very high	130 Å²	130	56 Å²	56	61%	0.607	26%	0.262	S	S	*	.	H	α-helix	trans	-61.9	-46.7	178.3	-70.9	177.4	175.8	0	0	112.2	G186 T187 R193 R194	G186-E190 PolarHBondContact O-N 3.29Å; T187-E190 PolarHBondContact O-N 3.13Å; E190-R193 PolarHBondContact O-N 2.92Å; E190-R194 PolarHBondContact O-N 2.71Å
191	W	98.5	Very high	97.7	Very high	48 Å²	48	63 Å²	63	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-68.1	-41.1	177.8	-81.9	100.3	0	0	0	112.2	M29 Y83 R86 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.11Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.23Å; Y83-W191 AromaticContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CE3 4.21Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CZ2 4.48Å; Y83-W191 AromaticContact CE2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CZ3 3.69Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.28Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 WeakPolarHBondContact O-CB 3.34Å; T187-W191 PolarHBondContact O-N 2.9Å; C188-W191 PolarHBondContact O-N 2.99Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.3Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 2.91Å; W191-Y195 HydrophobicContact CB-CE2 4.11Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.84Å; W191-Y195 HydrophobicContact CZ3-CE1 3.84Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 PolarHBondContact O-N 2.85Å
192	L	98.6	Very high	97.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-45.9	175.3	174.7	52.8	0	0	0	111	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.45Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.33Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V127-L192 HydrophobicContact CB-CD2 4.35Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.59Å; V127-L192 HydrophobicContact CG2-CG 4.19Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 3.1Å; V189-L192 PolarHBondContact O-N 3.01Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.85Å; L192-Y195 PolarHBondContact O-N 2.91Å; L192-L196 HydrophobicContact CD1-CD1 3.9Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.44Å
193	R	98.1	Very high	97.2	Very high	116 Å²	116	55.4 Å²	55.4	44%	0.438	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-43.3	175.5	-71.7	173.3	-175.6	177.5	2.5	112.4	G131 V189 E190 W191 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.27Å; G131-R193 PolarHBondContact O-NE 3.17Å; G131-R193 PolarHBondContact O-NH2 3.03Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.21Å; V189-R193 PolarHBondContact O-N 2.88Å; E190-R193 PolarHBondContact O-N 2.92Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.3Å; R193-L196 PolarHBondContact O-N 2.84Å; R193-E197 PolarHBondContact O-N 2.98Å
194	R	98.1	Very high	97	Very high	120 Å²	120	56.8 Å²	56.8	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-45.2	175.7	177	179.2	174	126.7	-3.6	111.4	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.29Å; E79-R194 IonicContact OE1-CZ 3.7Å; E79-R194 IonicContact OE1-NE 2.99Å; E79-R194 PolarHBondContact OE1-NE 2.83Å; E79-R194 IonicContact OE1-NH2 3.39Å; E79-R194 PolarHBondContact OE1-NH2 3.23Å; E79-R194 VanDerWaalsContact OE1-NH2 3.08Å; E79-R194 IonicContact OE2-CZ 3.69Å; E79-R194 IonicContact OE2-NE 3.38Å; E79-R194 IonicContact OE2-NH2 3.65Å; E79-R194 PolarHBondContact OE2-NH2 3.12Å; E190-R194 PolarHBondContact O-N 2.71Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 2.91Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.85Å; R194-E197 PolarHBondContact O-N 3.34Å; R194-N198 VanDerWaalsContact O-CB 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.27Å; R194-N198 PolarHBondContact O-N 3.5Å; R194-N198 PolarHBondContact O-OD1 3.13Å
195	Y	98.3	Very high	96.7	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-39.7	178.7	-61.6	-26.3	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.94Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.63Å; F57-Y195 HydrophobicContact CE2-CE2 3.63Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.78Å; F57-Y195 HydrophobicContact CZ-CE2 3.78Å; W75-Y195 HydrophobicContact CE3-CD1 4.42Å; W75-Y195 HydrophobicContact CH2-CD2 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD2 4.28Å; W75-Y195 HydrophobicContact CZ3-CE1 4.48Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; I76-Y195 HydrophobicContact CD1-CD1 3.86Å; I76-Y195 HydrophobicContact CD1-CE1 3.31Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y195 PolarHBondContact OH-OH 2.97Å; W191-Y195 HydrophobicContact CB-CE2 4.11Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.84Å; W191-Y195 HydrophobicContact CZ3-CE1 3.84Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 PolarHBondContact O-N 2.85Å; L192-Y195 PolarHBondContact O-N 2.91Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.06Å; Y195-N198 PolarHBondContact O-N 3.08Å; Y195-G199 WeakPolarHBondContact O-CA 3.33Å; Y195-G199 PolarHBondContact O-N 2.91Å; Y195-L203 WeakPolarHBondContact O-CD1 3.43Å
196	L	97.5	Very high	96.6	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-36.5	175.1	-71.3	170.2	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4.01Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.45Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.9Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.44Å; R193-L196 PolarHBondContact O-N 2.84Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.38Å; L196-K200 PolarHBondContact O-N 2.6Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 HydrophobicContact CD2-CG 4.44Å; L196-Q204 PolarHBondContact O-NE2 3.28Å
197	E	97.1	Very high	96.5	Very high	118 Å²	118	60.5 Å²	60.5	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-72.1	-49.2	174.7	-171.9	58.9	-152.1	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.98Å; R194-E197 PolarHBondContact O-N 3.34Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.06Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 2.88Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.18Å
198	N	97.3	Very high	96.5	Very high	53 Å²	53	60.9 Å²	60.9	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-58.5	-39.1	178.6	-77.9	1.1	0	0	0	112.9	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.21Å; E79-N198 PolarHBondContact OE1-ND2 2.83Å; R194-N198 VanDerWaalsContact O-CB 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.27Å; R194-N198 PolarHBondContact O-N 3.5Å; R194-N198 PolarHBondContact O-OD1 3.13Å; Y195-N198 PolarHBondContact O-N 3.08Å
199	G	96.4	Very high	96.5	Very high	4 Å²	4	61.3 Å²	61.3	4%	0.041	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	14.9	-176.7	0	0	0	0	0	114	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.33Å; Y195-G199 PolarHBondContact O-N 2.91Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.31Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.49Å; G199-T202 PolarHBondContact O-N 2.63Å; G199-T202 PolarHBondContact O-OG1 3.47Å; G199-L203 PolarHBondContact O-N 2.84Å
200	K	94.8	Very high	96.5	Very high	106 Å²	106	68.5 Å²	68.5	46%	0.461	32%	0.318	S	S	.	.	H	α-helix	trans	-49.6	-43.3	-169	-178.4	174	-173.8	173	0	115.1	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.38Å; L196-K200 PolarHBondContact O-N 2.6Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.18Å; K200-T202 PolarHBondContact O-N 2.81Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 HydrophobicContact CG-CB 4.47Å; K200-Q204 PolarHBondContact O-N 3.36Å
201	E	92.8	Very high	96.4	Very high	169 Å²	169	64 Å²	64	79%	0.79	30%	0.299	S	S	*	.	H	α-helix	trans	-62.3	-23.1	179.3	-61.8	-172.3	162	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.31Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 PolarHBondContact O-NH1 3.14Å
202	T	92.8	Very high	96.4	Very high	44 Å²	44	65.5 Å²	65.5	27%	0.27	31%	0.308	S	S	.	.	H	α-helix	trans	-101.6	-70	177.2	55.9	0	0	0	0	110.4	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.49Å; G199-T202 PolarHBondContact O-N 2.63Å; G199-T202 PolarHBondContact O-OG1 3.47Å; K200-T202 PolarHBondContact O-N 2.81Å; K200-T202 VanDerWaalsContact O-N 3.16Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.4Å; T202-R205 WeakPolarHBondContact O-CB 3.45Å; T202-R205 PolarHBondContact O-N 3.09Å; T202-R263 VanDerWaalsContact CA-NH1 3.25Å; T202-R263 PolarHBondContact O-NH1 3.2Å; T202-R263 PolarHBondContact O-NH2 3.38Å
203	L	93.9	Very high	96.4	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-33.9	-167.3	-61.2	172	0	0	0	114.2	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.12Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å; Y195-L203 WeakPolarHBondContact O-CD1 3.43Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 PolarHBondContact O-N 2.84Å; L203-R205 VanDerWaalsContact C-N 3.35Å
204	Q	92.8	Very high	96.3	Very high	91 Å²	91	62.7 Å²	62.7	43%	0.425	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	11.5	180	-59.1	-178.3	38.9	0	0	112.9	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.44Å; L196-Q204 PolarHBondContact O-NE2 3.28Å; K200-Q204 HydrophobicContact CG-CB 4.47Å; K200-Q204 PolarHBondContact O-N 3.36Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.4Å
205	R	93.6	Very high	96.2	Very high	118 Å²	118	59.5 Å²	59.5	45%	0.445	29%	0.294	S	S	.	.			trans	-106.2	118.2	177.1	-169.3	-177.5	79	-147.4	3.1	110.1	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 3.14Å; T202-R205 WeakPolarHBondContact O-CB 3.45Å; T202-R205 PolarHBondContact O-N 3.09Å; L203-R205 VanDerWaalsContact C-N 3.35Å; R205-D207 IonicContact CZ-OD1 3.08Å; R205-D207 IonicContact CZ-OD2 3.37Å; R205-D207 IonicContact NE-OD1 2.78Å; R205-D207 PolarHBondContact NE-OD1 3.21Å; R205-D207 IonicContact NE-OD2 2.99Å; R205-D207 IonicContact NH2-OD1 2.62Å; R205-D207 IonicContact NH2-OD2 2.72Å; R205-D207 PolarHBondContact NH2-OD2 3.14Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.24Å
206	A	95.4	Very high	96.1	Very high	32 Å²	32	63.3 Å²	63.3	26%	0.264	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-87.5	126	167.2	0	0	0	0	0	110.2	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.32Å; A206-E288 HydrophobicContact CB-CG 4.34Å
207	D	96.8	Very high	95.9	Very high	36 Å²	36	67.4 Å²	67.4	19%	0.193	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-99.8	117.4	175.3	-67.4	-31.9	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.08Å; R205-D207 IonicContact CZ-OD2 3.37Å; R205-D207 IonicContact NE-OD1 2.78Å; R205-D207 PolarHBondContact NE-OD1 3.21Å; R205-D207 IonicContact NE-OD2 2.99Å; R205-D207 IonicContact NH2-OD1 2.62Å; R205-D207 IonicContact NH2-OD2 2.72Å; R205-D207 PolarHBondContact NH2-OD2 3.14Å; D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.22Å; D207-F232 WeakPolarHBondContact O-CB 3.38Å; D207-Y233 PolarHBondContact N-O 3.31Å; D207-Y233 PolarHBondContact O-N 3.16Å; D207-H287 PolarHBondContact O-CE1 3.19Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å
208	P	97.6	Very high	95.6	Very high	67 Å²	67	66.2 Å²	66.2	44%	0.435	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-70.3	150.2	-175.8	25.1	-32.8	0	0	0	112.8	L290	P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.46Å
209	P	98.3	Very high	95.4	Very high	9 Å²	9	66.2 Å²	66.2	6%	0.058	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-68.1	135.5	179.2	28.2	-34.8	0	0	0	112.3	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.17Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.4	Very high	95	Very high	158 Å²	158	73.2 Å²	73.2	69%	0.687	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	109.5	163.7	-62.7	175.3	-172.8	170.1	0	108.1	L230	K210-L230 PolarHBondContact N-O 2.82Å; K210-L230 PolarHBondContact O-N 3.42Å
211	T	98.2	Very high	95	Very high	35 Å²	35	75 Å²	75	22%	0.215	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.7	-172.1	53.6	0	0	0	0	112.9	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.17Å; T211-W228 WeakPolarHBondContact CA-O 3.4Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 3.99Å; T211-L294 HydrophobicContact CG2-CD1 4.33Å; T211-L296 HydrophobicContact CG2-CD1 4.42Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.26Å
212	H	97.4	Very high	95.1	Very high	80 Å²	80	71.4 Å²	71.4	37%	0.37	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159.3	170.8	63.7	-74.3	0	0	0	110.8	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.49Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.07Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.76Å; H212-W228 PolarHBondContact O-N 2.88Å
213	V	98.2	Very high	95.2	Very high	22 Å²	22	69.4 Å²	69.4	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.6	176	-179	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.47Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.9	Very high	95.4	Very high	35 Å²	35	70.2 Å²	70.2	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.2	174.4	51.9	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.98Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.48Å; T214-R226 PolarHBondContact N-O 3.19Å; T214-R226 PolarHBondContact O-N 3.41Å; T214-R226 WeakPolarHBondContact OG1-CB 3.4Å; T214-R226 PolarHBondContact OG1-O 3.07Å; T214-W228 PolarHBondContact OG1-NE1 3.33Å
215	H	96.3	Very high	95.7	Very high	53 Å²	53	65.9 Å²	65.9	25%	0.245	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.3	-178.9	169.3	-90.8	0	0	0	109.7	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.41Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; H215-E278 IonicContact NE2-OE1 3.78Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.83Å; H215-W298 AromaticContact CG-NE1 4Å
216	H	94.6	Very high	95.9	Very high	83 Å²	83	62.7 Å²	62.7	38%	0.384	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	105.9	-179.2	-58.2	83.8	0	0	0	108.9	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.98Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-V218 PolarHBondContact O-N 3.04Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; H216-T224 PolarHBondContact N-O 2.87Å; H216-T224 PolarHBondContact O-N 3.22Å; H216-R226 PolarHBondContact CE1-NH1 3.43Å
217	P	93.8	Very high	96	Very high	98 Å²	98	61.1 Å²	61.1	64%	0.636	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	131.5	172.7	-20.3	30.6	0	0	0	110.6
218	V	91.6	Very high	96.1	Very high	93 Å²	93	61.7 Å²	61.7	56%	0.564	32%	0.321	S	S	*	.			trans	-104.2	-41	176	-179.5	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.04Å; V218-E222 PolarHBondContact N-O 3.48Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.19Å
219	S	92	Very high	96.2	Very high	53 Å²	53	58.5 Å²	58.5	37%	0.371	30%	0.3	S	S	.	.	S	Bend	trans	-147.5	-179.1	174.5	72.4	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.47Å; S219-H221 PolarHBondContact OG-N 2.96Å; S219-E222 PolarHBondContact N-O 2.92Å; S219-E222 VanDerWaalsContact O-O 3.07Å; S219-E222 PolarHBondContact OG-N 3Å
220	D	89.6	Confident	96.2	Very high	152 Å²	152	60.6 Å²	60.6	81%	0.813	31%	0.311	S	S	*	.	S	Bend	trans	-62.3	-20.4	172.6	-65.9	-22.6	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.46Å; D220-S275 VanDerWaalsContact O-OG 3.05Å
221	H	93.3	Very high	96.1	Very high	143 Å²	143	54.3 Å²	54.3	66%	0.662	29%	0.29	S	S	*	.	S	Bend	trans	-106.8	-14.8	-174.3	-55.2	-48.8	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.47Å; S219-H221 PolarHBondContact OG-N 2.96Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.25Å; H221-S275 PolarHBondContact O-N 2.81Å; H221-S275 PolarHBondContact O-OG 3.4Å
222	E	95.3	Very high	96.1	Very high	93 Å²	93	52.6 Å²	52.6	44%	0.435	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.4	-171.6	-65.4	-179.9	168	0	0	112.5	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.48Å; S219-E222 PolarHBondContact N-O 2.92Å; S219-E222 VanDerWaalsContact O-O 3.07Å; S219-E222 PolarHBondContact OG-N 3Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; E222-V273 WeakPolarHBondContact CA-O 3.48Å; E222-S275 PolarHBondContact N-OG 3.47Å
223	A	95.9	Very high	96.1	Very high	2 Å²	2	49 Å²	49	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.6	171.4	0	0	0	0	0	111	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.41Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; A223-V272 WeakPolarHBondContact O-CA 3.16Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.31Å; A223-V273 WeakPolarHBondContact O-CG2 3.48Å; A223-V273 PolarHBondContact O-N 2.6Å
224	T	97.6	Very high	96	Very high	21 Å²	21	48.8 Å²	48.8	13%	0.129	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.3	170.3	-55.6	0	0	0	0	109.8	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.87Å; H216-T224 PolarHBondContact O-N 3.22Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.19Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.45Å
225	L	98.1	Very high	96	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.9	164.7	-64.1	-175.4	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.48Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.08Å; L225-W241 HydrophobicContact CD1-CZ3 4.24Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 2.83Å; L225-V271 PolarHBondContact O-N 2.86Å; L225-V273 HydrophobicContact CD1-CG1 4.05Å; L225-V273 HydrophobicContact CD1-CG2 4.11Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.89Å; L225-E278 HydrophobicContact CD1-CB 4.04Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 3.97Å
226	R	98.4	Very high	96.1	Very high	51 Å²	51	52 Å²	52	19%	0.192	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.9	176.3	-176.9	-179.2	-62.9	110.8	2.6	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.47Å; T214-R226 PolarHBondContact N-O 3.19Å; T214-R226 PolarHBondContact O-N 3.41Å; T214-R226 WeakPolarHBondContact OG1-CB 3.4Å; T214-R226 PolarHBondContact OG1-O 3.07Å; H216-R226 PolarHBondContact CE1-NH1 3.43Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.33Å; R226-A270 HydrophobicContact CB-CB 4.05Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.4	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.9	174.7	-172.6	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.16Å; C227-W268 WeakPolarHBondContact O-CB 3.33Å; C227-A269 PolarHBondContact N-O 2.91Å; C227-A269 PolarHBondContact O-N 3.46Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.4Å; C227-C283 WeakPolarHBondContact SG-CB 3.41Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.78Å
228	W	98.5	Very high	96.3	Very high	48 Å²	48	46.6 Å²	46.6	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.7	179.7	-70.2	90.5	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.4Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.49Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.07Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.76Å; H212-W228 PolarHBondContact O-N 2.88Å; T214-W228 PolarHBondContact OG1-NE1 3.33Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.6	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.5	162.3	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; A229-K267 PolarHBondContact N-O 3.17Å; A229-K267 PolarHBondContact O-N 2.83Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.4	Very high	96.9	Very high	53 Å²	53	42 Å²	42	28%	0.277	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.9	-174.6	-59	177	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.82Å; K210-L230 PolarHBondContact O-N 3.42Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 PolarHBondContact O-N 3.11Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.9	Very high	97.3	Very high	25 Å²	25	34.9 Å²	34.9	26%	0.258	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	29.2	167.3	0	0	0	0	0	114.2	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.32Å; G231-F265 PolarHBondContact N-O 2.84Å
232	F	98.1	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	155.4	-179.4	58.8	-88.9	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.56Å; D207-F232 WeakPolarHBondContact O-CA 3.22Å; D207-F232 WeakPolarHBondContact O-CB 3.38Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; L230-F232 PolarHBondContact O-N 3.11Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.74Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.84Å; F232-I237 HydrophobicContact CE2-CG1 4.38Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.59Å; F232-T257 HydrophobicContact CE2-CG2 4.14Å; F232-T257 HydrophobicContact CZ-CG2 3.98Å; F232-T264 CarbonylContact O-C 3.6Å; F232-T264 WeakPolarHBondContact O-CA 3.45Å; F232-F265 WeakPolarHBondContact CD1-O 3.22Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.48Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.4Å; F232-F265 PolarHBondContact O-N 2.67Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	97	Very high	97.6	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.016	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-148.8	137	171.5	178.1	-82.1	0	0	0	108.8	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.96Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.42Å; T55-Y233 PolarHBondContact OG1-OH 3.3Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.24Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.32Å; D207-Y233 PolarHBondContact N-O 3.31Å; D207-Y233 PolarHBondContact O-N 3.16Å; Y233-R263 HydrophobicContact CD2-CG 3.9Å; Y233-R263 HydrophobicContact CE2-CG 4.08Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.3Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; Y233-H287 PolarHBondContact O-CE1 3.5Å
234	P	96.4	Very high	97.6	Very high	18 Å²	18	33.6 Å²	33.6	12%	0.117	17%	0.174	C	C	.	.	S	Bend	cis	-72.3	179.7	1.7	30.7	-36.5	0	0	0	113.2	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-H287 PolarHBondContact O-NE2 3.37Å
235	A	97.1	Very high	97.3	Very high	15 Å²	15	35 Å²	35	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	-70	-26.9	-176.5	0	0	0	0	0	113.6	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 2.91Å; A235-I237 PolarHBondContact O-N 3.31Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.68Å
236	E	96.4	Very high	97.2	Very high	139 Å²	139	41.8 Å²	41.8	65%	0.65	22%	0.224	S	C	*	.			trans	-63	119	179.1	-172.3	57.1	-142.4	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.33Å; E236-H287 PolarHBondContact O-CD2 2.95Å
237	I	97.1	Very high	97	Very high	11 Å²	11	44 Å²	44	6%	0.056	24%	0.24	C	C	.	.			trans	-155.5	142.1	-177	-163.7	172.3	0	0	0	109.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.74Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.84Å; F232-I237 HydrophobicContact CE2-CG1 4.38Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.59Å; A235-I237 PolarHBondContact O-N 3.31Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; I237-V285 HydrophobicContact CD1-CG1 4.09Å; I237-V285 HydrophobicContact CG1-CG1 4.38Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.42Å; I237-H287 HydrophobicContact CD1-CB 4.39Å; I237-H287 HydrophobicContact CG1-CB 4.11Å
238	T	97.4	Very high	96.9	Very high	58 Å²	58	45.2 Å²	45.2	36%	0.356	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.6	173.7	-62.3	0	0	0	0	110.3	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; T238-Q286 PolarHBondContact N-O 3.23Å; T238-Q286 PolarHBondContact O-N 3.02Å
239	L	97.8	Very high	96.4	Very high	7 Å²	7	48 Å²	48	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.3	172.2	-87.1	63.6	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.13Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; L239-H284 WeakPolarHBondContact CA-O 3.28Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.6	Very high	95.9	Very high	41 Å²	41	57.2 Å²	57.2	25%	0.252	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.3	178.7	48.4	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.49Å; T240-C283 WeakPolarHBondContact O-CA 3.44Å; T240-H284 PolarHBondContact N-O 3.02Å; T240-H284 PolarHBondContact O-N 3.24Å; T240-H284 WeakPolarHBondContact OG1-CB 3.49Å
241	W	98.2	Very high	95.4	Very high	3 Å²	3	60 Å²	60	1%	0.011	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.2	169.8	-82.7	106.3	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.08Å; L225-W241 HydrophobicContact CD1-CZ3 4.24Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 3Å; W241-A269 PolarHBondContact NE1-O 3.27Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.2Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.37Å; W241-T282 WeakPolarHBondContact CA-O 3.34Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.96Å
242	Q	97.9	Very high	95.2	Very high	43 Å²	43	59.9 Å²	59.9	20%	0.201	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.5	171.6	-69.8	-174.1	-8.3	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.16Å; Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.39Å; Q242-D247 PolarHBondContact NE2-OD1 2.81Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.45Å; Q242-T282 PolarHBondContact N-O 3.24Å; Q242-T282 PolarHBondContact O-N 2.98Å; Q242-H284 PolarHBondContact OE1-NE2 2.85Å
243	R	97.5	Very high	95.1	Very high	68 Å²	68	65.4 Å²	65.4	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.8	168.3	-176.6	-172.4	-175.9	178.8	-0.5	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.15Å; R243-E246 PolarHBondContact N-O 2.75Å; R243-E246 PolarHBondContact O-N 3.24Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; R243-E277 IonicContact CZ-OE2 3.09Å; R243-E277 IonicContact NE-OE2 2.83Å; R243-E277 IonicContact NH2-OE1 2.62Å; R243-E277 IonicContact NH2-OE2 2.8Å; R243-E277 PolarHBondContact NH2-OE2 3.44Å; R243-R280 WeakPolarHBondContact CA-O 3.46Å; R243-R280 HydrophobicContact CG-CB 4.37Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.31Å; R243-Y281 HydrophobicContact CG-CD1 4.5Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	95.5	Very high	95.1	Very high	101 Å²	101	69.4 Å²	69.4	54%	0.54	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	29.1	-175.3	-53.1	-50.8	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 2.79Å; D244-R280 IonicContact OD1-NE 3.6Å; D244-R280 PolarHBondContact OD1-NE 2.81Å; D244-R280 IonicContact OD2-CZ 2.76Å; D244-R280 IonicContact OD2-NE 3.73Å; D244-R280 PolarHBondContact OD2-NE 2.77Å; D244-R280 IonicContact OD2-NH2 3.78Å; D244-R280 PolarHBondContact OD2-NH2 2.84Å
245	G	91.5	Very high	95.1	Very high	49 Å²	49	70.1 Å²	70.1	51%	0.505	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-0.6	-177.8	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.15Å
246	E	95.4	Very high	95.1	Very high	143 Å²	143	77.1 Å²	77.1	67%	0.668	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.6	175.9	-63.2	-173.3	171.2	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.16Å; R243-E246 PolarHBondContact N-O 2.75Å; R243-E246 PolarHBondContact O-N 3.24Å; E246-Q248 PolarHBondContact O-NE2 3.48Å
247	D	95	Very high	95.2	Very high	98 Å²	98	72.5 Å²	72.5	52%	0.524	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.7	-179.3	-68.9	-23.7	0	0	0	112.4	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.39Å; Q242-D247 PolarHBondContact NE2-OD1 2.81Å
248	Q	94.6	Very high	95.2	Very high	25 Å²	25	76.9 Å²	76.9	12%	0.117	40%	0.399	C	S	.	.			trans	-104.7	38.2	-177.6	-57.5	-61.2	-70.8	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 3Å; R243-Q248 HydrophobicContact CB-CG 4.01Å; E246-Q248 PolarHBondContact O-NE2 3.48Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.87Å; Q248-D251 PolarHBondContact O-N 3Å; Q248-T252 VanDerWaalsContact O-CB 3.31Å; Q248-T252 WeakPolarHBondContact O-CB 3.06Å; Q248-T252 PolarHBondContact O-N 2.89Å; Q248-T252 PolarHBondContact O-OG1 3.08Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å
249	T	88.7	Confident	95.2	Very high	108 Å²	108	78.5 Å²	78.5	66%	0.663	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.9	-168.9	-47.2	0	0	0	0	113.9
250	Q	88.5	Confident	95.1	Very high	192 Å²	192	80.6 Å²	80.6	90%	0.897	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.3	-178.5	-66.8	-174.7	8.4	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.87Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	87.3	Confident	94.9	Very high	112 Å²	112	82.3 Å²	82.3	60%	0.599	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	0.6	-177.4	-56.7	-52.4	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3Å
252	T	94.4	Very high	94.6	Very high	23 Å²	23	87.3 Å²	87.3	14%	0.141	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.1	179.2	-63.7	0	0	0	0	110.7	Q248 Q250 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.31Å; Q248-T252 WeakPolarHBondContact O-CB 3.06Å; Q248-T252 PolarHBondContact O-N 2.89Å; Q248-T252 PolarHBondContact O-OG1 3.08Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.49Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.2Å
253	E	96.7	Very high	94.4	Very high	115 Å²	115	88.2 Å²	88.2	54%	0.537	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	107.7	163.1	-173.7	-174.2	-172.5	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.24Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.19Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.34Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.39Å; E253-A270 PolarHBondContact O-N 2.8Å
254	L	96.6	Very high	94.4	Very high	88 Å²	88	85.8 Å²	85.8	46%	0.461	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.5	177.9	-173.8	67.8	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.49Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255	V	96.6	Very high	94.5	Very high	34 Å²	34	82.2 Å²	82.2	21%	0.206	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-84.7	154.3	175.2	-64.8	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.32Å; V255-K267 PolarHBondContact O-NZ 3.38Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.36Å; V255-W268 PolarHBondContact N-O 2.85Å
256	E	96.6	Very high	94.9	Very high	162 Å²	162	82 Å²	82	76%	0.757	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.5	146.1	168.3	-67.5	-57.4	157.3	0	0	111.7	R258	E256-R258 PolarHBondContact O-N 3.37Å
257	T	97.8	Very high	95	Very high	42 Å²	42	76 Å²	76	26%	0.258	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.1	128.7	174	-56.7	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.14Å; F232-T257 HydrophobicContact CZ-CG2 3.98Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.29Å; T257-K267 PolarHBondContact OG1-NZ 3.23Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
258	R	97.4	Very high	95.2	Very high	102 Å²	102	72.5 Å²	72.5	39%	0.385	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.3	-174.5	68	-169.8	-179	-179.1	4.9	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.37Å; R258-F265 WeakPolarHBondContact O-CA 3.38Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 3.24Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.06Å
259	P	97.3	Very high	95.3	Very high	93 Å²	93	71.3 Å²	71.3	60%	0.604	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	145.5	178.3	28.8	-34.7	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	96.4	Very high	95.8	Very high	51 Å²	51	66.2 Å²	66.2	42%	0.421	36%	0.356	S	S	.	.			trans	-90.1	-14.8	173.2	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.48Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.37Å; A260-T264 PolarHBondContact N-O 2.89Å
261	G	93	Very high	96.2	Very high	77 Å²	77	57.2 Å²	57.2	79%	0.794	31%	0.314	S	S	*	.	S	Bend	trans	94.8	-4.4	179.6	0	0	0	0	0	114.6
262	D	92.9	Very high	96.7	Very high	108 Å²	108	55.6 Å²	55.6	58%	0.578	31%	0.308	S	S	*	.	S	Bend	trans	-117.1	32	-179.8	64.9	-5.2	0	0	0	111.8	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.48Å; D262-T264 PolarHBondContact O-N 2.79Å; D262-T264 WeakPolarHBondContact OD1-CB 3.46Å; D262-T264 PolarHBondContact OD1-N 3.25Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.81Å
263	R	92.8	Very high	96.8	Very high	61 Å²	61	54.5 Å²	54.5	23%	0.23	30%	0.302	C	S	.	.	S	Bend	trans	73.5	-20.4	-169.6	-176.8	-176.5	167.6	-137.7	-16	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.74Å; T202-R263 VanDerWaalsContact CA-NH1 3.25Å; T202-R263 PolarHBondContact O-NH1 3.2Å; T202-R263 PolarHBondContact O-NH2 3.38Å; Y233-R263 HydrophobicContact CD2-CG 3.9Å; Y233-R263 HydrophobicContact CE2-CG 4.08Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.3Å; R263-F265 WeakPolarHBondContact O-CE2 3.4Å
264	T	97.3	Very high	96.8	Very high	18 Å²	18	51.2 Å²	51.2	11%	0.11	29%	0.29	C	S	.	.			trans	-85.5	168.6	-178.5	75.9	0	0	0	0	112.7	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.32Å; F232-T264 CarbonylContact O-C 3.6Å; F232-T264 WeakPolarHBondContact O-CA 3.45Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.37Å; A260-T264 PolarHBondContact N-O 2.89Å; D262-T264 PolarHBondContact O-N 2.79Å; D262-T264 WeakPolarHBondContact OD1-CB 3.46Å; D262-T264 PolarHBondContact OD1-N 3.25Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.81Å
265	F	98.4	Very high	96.7	Very high	25 Å²	25	49.7 Å²	49.7	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	163.6	-179.6	-64.4	-87.9	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 2.84Å; F232-F265 WeakPolarHBondContact CD1-O 3.22Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.48Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.4Å; F232-F265 PolarHBondContact O-N 2.67Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.68Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.38Å; P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.4Å
266	Q	98.4	Very high	96.4	Very high	45 Å²	45	51.2 Å²	51.2	21%	0.21	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.6	174.2	45.6	170	-23.3	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 3.24Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.06Å
267	K	98.6	Very high	96.4	Very high	16 Å²	16	46 Å²	46	7%	0.07	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154	176.7	-161.8	-176.4	-171.6	70	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.17Å; A229-K267 PolarHBondContact O-N 2.83Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.32Å; V255-K267 PolarHBondContact O-NZ 3.38Å; T257-K267 WeakPolarHBondContact OG1-CD 3.29Å; T257-K267 PolarHBondContact OG1-NZ 3.23Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
268	W	98.4	Very high	96.3	Very high	25 Å²	25	45 Å²	45	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.6	169.3	59.4	-99.7	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.16Å; C227-W268 WeakPolarHBondContact O-CB 3.33Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.24Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.19Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.36Å; V255-W268 PolarHBondContact N-O 2.85Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
269	A	98.3	Very high	96.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.8	173.7	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.33Å; C227-A269 PolarHBondContact N-O 2.91Å; C227-A269 PolarHBondContact O-N 3.46Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; W241-A269 PolarHBondContact NE1-O 3.27Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.34Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270	A	98.1	Very high	96.2	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145	179.9	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; R226-A270 HydrophobicContact CB-CB 4.05Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.2Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.39Å; E253-A270 PolarHBondContact O-N 2.8Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
271	V	97.9	Very high	96.2	Very high	3 Å²	3	43 Å²	43	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.2	175.7	62.7	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.45Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 2.83Å; L225-V271 PolarHBondContact O-N 2.86Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.2Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.37Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.4Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å
272	V	97.4	Very high	96.5	Very high	77 Å²	77	39.8 Å²	39.8	47%	0.467	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.3	171.3	-178.3	0	0	0	0	108	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; A223-V272 WeakPolarHBondContact O-CA 3.16Å
273	V	96.7	Very high	96.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.4	-175.4	-51.6	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.48Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.31Å; A223-V273 WeakPolarHBondContact O-CG2 3.48Å; A223-V273 PolarHBondContact O-N 2.6Å; L225-V273 HydrophobicContact CD1-CG1 4.05Å; L225-V273 HydrophobicContact CD1-CG2 4.11Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.89Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.4Å; V273-E278 HydrophobicContact CG2-CG 3.95Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.71Å
274	P	96.5	Very high	97	Very high	45 Å²	45	33.4 Å²	33.4	29%	0.292	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	140	170.3	-20.1	32.3	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.25Å; P274-G276 PolarHBondContact O-N 3.29Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.42Å; P274-E277 PolarHBondContact O-N 3.27Å
275	S	93.1	Very high	97	Very high	56 Å²	56	32.5 Å²	32.5	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	128	175.1	-63.6	0	0	0	0	110.9	D220 H221 E222 E277 E278	D220-S275 PolarHBondContact O-OG 3.46Å; D220-S275 VanDerWaalsContact O-OG 3.05Å; H221-S275 PolarHBondContact O-N 2.81Å; H221-S275 PolarHBondContact O-OG 3.4Å; E222-S275 PolarHBondContact N-OG 3.47Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.07Å
276	G	92.2	Very high	97	Very high	66 Å²	66	35.6 Å²	35.6	68%	0.68	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.5	-6.1	-178.4	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.29Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 2.91Å
277	E	95.8	Very high	96.9	Very high	54 Å²	54	34.2 Å²	34.2	25%	0.252	19%	0.188	S	C	.	.			trans	-99.8	3.4	175.8	-65.6	-159	-152.4	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.09Å; R243-E277 IonicContact NE-OE2 2.83Å; R243-E277 IonicContact NH2-OE1 2.62Å; R243-E277 IonicContact NH2-OE2 2.8Å; R243-E277 PolarHBondContact NH2-OE2 3.44Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.42Å; P274-E277 PolarHBondContact O-N 3.27Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.41Å; E277-R280 WeakPolarHBondContact O-CB 3.32Å; E277-R280 PolarHBondContact O-N 3.38Å; E277-R280 IonicContact OE1-NH1 3.69Å; E277-R280 IonicContact OE2-CZ 3.4Å; E277-R280 IonicContact OE2-NE 2.66Å; E277-R280 IonicContact OE2-NH1 3.5Å; E277-R280 PolarHBondContact OE2-NH1 2.85Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.1Å
278	E	95.3	Very high	96.6	Very high	20 Å²	20	38.3 Å²	38.3	9%	0.093	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.3	-32.3	-170.5	-56	80.9	-178.2	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.78Å; L225-E278 HydrophobicContact CD1-CB 4.04Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; V273-E278 HydrophobicContact CG2-CG 3.95Å; S275-E278 WeakPolarHBondContact CA-OE1 3.07Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 2.91Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.94Å; E278-Y281 PolarHBondContact O-N 3.23Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.8Å
279	Q	95.4	Very high	96.4	Very high	94 Å²	94	38 Å²	38	44%	0.439	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-72.7	-16.8	-179	-62.7	-56.6	-45.3	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.41Å; Q279-R297 PolarHBondContact O-NE 2.87Å; Q279-W298 PolarHBondContact NE2-O 3.4Å
280	R	96.9	Very high	96.3	Very high	103 Å²	103	39.2 Å²	39.2	39%	0.389	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-75	-17.4	172.7	-63.3	174.3	67.8	178.2	5.9	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.46Å; R243-R280 HydrophobicContact CG-CB 4.37Å; D244-R280 PolarHBondContact N-O 2.79Å; D244-R280 IonicContact OD1-NE 3.6Å; D244-R280 PolarHBondContact OD1-NE 2.81Å; D244-R280 IonicContact OD2-CZ 2.76Å; D244-R280 IonicContact OD2-NE 3.73Å; D244-R280 PolarHBondContact OD2-NE 2.77Å; D244-R280 IonicContact OD2-NH2 3.78Å; D244-R280 PolarHBondContact OD2-NH2 2.84Å; E277-R280 WeakPolarHBondContact O-CB 3.32Å; E277-R280 PolarHBondContact O-N 3.38Å; E277-R280 IonicContact OE1-NH1 3.69Å; E277-R280 IonicContact OE2-CZ 3.4Å; E277-R280 IonicContact OE2-NE 2.66Å; E277-R280 IonicContact OE2-NH1 3.5Å; E277-R280 PolarHBondContact OE2-NH1 2.85Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.94Å
281	Y	97.7	Very high	96	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.7	-177.5	-69.3	-100.3	0	0	0	111.4	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.45Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.31Å; R243-Y281 HydrophobicContact CG-CD1 4.5Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.71Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.1Å; E278-Y281 PolarHBondContact O-N 3.23Å
282	T	98.1	Very high	95.8	Very high	10 Å²	10	52.7 Å²	52.7	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132	175.6	46.7	0	0	0	0	110.8	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.34Å; Q242-T282 PolarHBondContact N-O 3.24Å; Q242-T282 PolarHBondContact O-N 2.98Å; T282-H284 PolarHBondContact O-CD2 2.74Å; T282-H284 PolarHBondContact OG1-NE2 3.37Å; T282-T295 HydrophobicContact CG2-CG2 3.85Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; T282-R297 HydrophobicContact CG2-CG 3.63Å
283	C	98.2	Very high	95.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.6	169.4	174.9	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.4Å; C227-C283 WeakPolarHBondContact SG-CB 3.41Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.78Å; T240-C283 CarbonylContact O-C 3.49Å; T240-C283 WeakPolarHBondContact O-CA 3.44Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.96Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.18Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 2.67Å; C283-L296 PolarHBondContact O-N 3.24Å
284	H	97.9	Very high	95.7	Very high	35 Å²	35	55.4 Å²	55.4	16%	0.162	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.3	177.1	-64.3	-111.9	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.28Å; T240-H284 PolarHBondContact N-O 3.02Å; T240-H284 PolarHBondContact O-N 3.24Å; T240-H284 WeakPolarHBondContact OG1-CB 3.49Å; Q242-H284 PolarHBondContact OE1-NE2 2.85Å; T282-H284 PolarHBondContact O-CD2 2.74Å; T282-H284 PolarHBondContact OG1-NE2 3.37Å; H284-L294 WeakPolarHBondContact CA-O 3.37Å; H284-T295 PolarHBondContact ND1-OG1 3.3Å
285	V	98.1	Very high	95.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.2	-177.9	-174.5	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 3.99Å; I237-V285 HydrophobicContact CD1-CG1 4.09Å; I237-V285 HydrophobicContact CG1-CG1 4.38Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-P293 WeakPolarHBondContact O-CA 3.5Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.06Å; V285-L294 PolarHBondContact O-N 2.8Å; V285-L296 HydrophobicContact CG2-CD1 3.74Å
286	Q	97.6	Very high	96	Very high	89 Å²	89	56 Å²	56	42%	0.416	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.8	173.8	-53.3	-179	11.9	0	0	109.4	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.42Å; T238-Q286 PolarHBondContact N-O 3.23Å; T238-Q286 PolarHBondContact O-N 3.02Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	96.3	Very high	96.2	Very high	17 Å²	17	59.5 Å²	59.5	8%	0.079	30%	0.298	C	S	.	.			trans	-158.4	145.9	-178.1	-174.3	-99.3	0	0	0	109.1	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.19Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.5Å; P234-H287 PolarHBondContact O-NE2 3.37Å; E236-H287 PolarHBondContact O-CD2 2.95Å; I237-H287 HydrophobicContact CD1-CB 4.39Å; I237-H287 HydrophobicContact CG1-CB 4.11Å; H287-G289 PolarHBondContact ND1-N 3.28Å; H287-G289 PolarHBondContact O-N 3.06Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.18Å; H287-L290 WeakPolarHBondContact O-CB 3.17Å; H287-L290 PolarHBondContact O-N 3.06Å
288	E	93.4	Very high	96.2	Very high	101 Å²	101	59.2 Å²	59.2	47%	0.472	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.1	-179.3	-176.8	179.6	-179.2	0	0	113.1	G25 A206 L290	G25-E288 PolarHBondContact N-OE1 3.06Å; A206-E288 HydrophobicContact CB-CG 4.34Å; E288-L290 PolarHBondContact O-N 2.8Å
289	G	93.7	Very high	95.9	Very high	19 Å²	19	66.3 Å²	66.3	20%	0.196	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.4	177.4	0	0	0	0	0	114	H287	H287-G289 PolarHBondContact ND1-N 3.28Å; H287-G289 PolarHBondContact O-N 3.06Å
290	L	95.1	Very high	95.3	Very high	26 Å²	26	65.6 Å²	65.6	14%	0.136	33%	0.331	C	S	.	.			trans	-95.4	126.4	179.1	-65.4	170.7	0	0	0	110.7	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.46Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.18Å; H287-L290 WeakPolarHBondContact O-CB 3.17Å; H287-L290 PolarHBondContact O-N 3.06Å; E288-L290 PolarHBondContact O-N 2.8Å; L290-K292 PolarHBondContact O-N 3.46Å; L290-K292 VanDerWaalsContact O-N 3.16Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.97Å
291	P	93.3	Very high	93.6	Very high	134 Å²	134	65.6 Å²	65.6	87%	0.87	35%	0.347	S	S	*	.	S	Bend	trans	-66.4	-20.3	177	27.7	-35.1	0	0	0	112.9
292	K	93.4	Very high	91.1	Very high	153 Å²	153	70.6 Å²	70.6	67%	0.665	38%	0.383	S	S	*	.	S	Bend	trans	-153.7	148.8	174.1	50.7	178.7	175.6	176.4	0	109.1	L290	L290-K292 PolarHBondContact O-N 3.46Å; L290-K292 VanDerWaalsContact O-N 3.16Å
293	P	95.8	Very high	88.6	Confident	80 Å²	80	78 Å²	78	52%	0.519	42%	0.417	S	S	.	.			trans	-52	143.2	174.5	-28.1	36.1	0	0	0	112.3	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.5Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	96.4	Very high	85.8	Confident	56 Å²	56	82.2 Å²	82.2	29%	0.293	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.2	174.7	-62.7	178.3	0	0	0	110.2	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.33Å; H284-L294 WeakPolarHBondContact CA-O 3.37Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 3.06Å; V285-L294 PolarHBondContact O-N 2.8Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.97Å; L294-L296 HydrophobicContact CB-CD1 4.14Å
295	T	97.8	Very high	83.4	Confident	84 Å²	84	86.4 Å²	86.4	52%	0.515	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.6	170.2	-58.9	0	0	0	0	108.1	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.85Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.18Å; H284-T295 PolarHBondContact ND1-OG1 3.3Å
296	L	97.2	Very high	81.1	Confident	28 Å²	28	91 Å²	91	15%	0.147	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.9	-179.2	-60.2	102.6	0	0	0	110.5	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.42Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.26Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 2.67Å; C283-L296 PolarHBondContact O-N 3.24Å; V285-L296 HydrophobicContact CG2-CD1 3.74Å; L294-L296 HydrophobicContact CB-CD1 4.14Å
297	R	96.3	Very high	79	Confident	141 Å²	141	90.8 Å²	90.8	53%	0.532	50%	0.504	S	S	.	.			trans	-114	163.7	163.3	-70.8	-170.7	174.9	108	4	109	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 2.87Å; T282-R297 HydrophobicContact CG2-CG 3.63Å; R297-E299 PolarHBondContact O-N 2.9Å
298	W	95.9	Very high	77.3	Confident	48 Å²	48	95.5 Å²	95.5	18%	0.182	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-68.9	121.7	166	170.6	57.8	0	0	0	109.9	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.83Å; H215-W298 AromaticContact CG-NE1 4Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 3.97Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.8Å; Q279-W298 PolarHBondContact NE2-O 3.4Å; W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.17Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 3.95Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.04Å
299	E	89.6	Confident	75.8	Confident	169 Å²	169	96.6 Å²	96.6	79%	0.79	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-98.6	118.4	168.5	-70.5	-178.6	175.8	0	0	108.3	R297 S301	R297-E299 PolarHBondContact O-N 2.9Å; E299-S301 PolarHBondContact O-N 2.85Å; E299-S301 VanDerWaalsContact O-N 3.09Å
300	P	81.6	Confident	74.6	Confident	78 Å²	78	97.9 Å²	97.9	51%	0.506	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-56.6	120.4	170.8	-18.5	29.1	0	0	0	107.4	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.17Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 3.95Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.04Å; P300-S302 PolarHBondContact O-N 2.96Å
301	S	61.4	Low	73.6	Confident	103 Å²	103	101 Å²	101	72%	0.72	57%	0.571	S	S	*	*			trans	-51.5	113.5	-178.3	46.3	0	0	0	0	109	E299 Q303	E299-S301 PolarHBondContact O-N 2.85Å; E299-S301 VanDerWaalsContact O-N 3.09Å; S301-Q303 PolarHBondContact O-N 2.9Å
302	S	46.6	Very low	72.8	Confident	111 Å²	111	99 Å²	99	78%	0.776	56%	0.556	S	S	*	*			trans	-70.2	73.3	163.4	63.6	0	0	0	0	106.9	P300 S304	P300-S302 PolarHBondContact O-N 2.96Å; S302-S304 PolarHBondContact O-N 3.38Å
303	Q	44.5	Very low	72	Confident	167 Å²	167	94.3 Å²	94.3	78%	0.78	55%	0.546	S	S	*	.			trans	-62.4	80.6	145.4	-86.7	-174.8	-14.9	0	0	104.7	S301 T305	S301-Q303 PolarHBondContact O-N 2.9Å; Q303-T305 PolarHBondContact O-N 2.95Å
304	S	40.5	Very low	71.4	Confident	87 Å²	87	92.4 Å²	92.4	61%	0.608	54%	0.54	S	S	*	.			trans	-58	95.6	161.5	-175	0	0	0	0	103.7	S302 I306	S302-S304 PolarHBondContact O-N 3.38Å; S304-I306 PolarHBondContact O-N 2.7Å; S304-I306 WeakPolarHBondContact OG-CG1 3.1Å
305	T	46	Very low	70.9	Confident	124 Å²	124	95.1 Å²	95.1	76%	0.761	56%	0.555	S	S	*	*			trans	-66.5	73.4	158.5	-37.2	0	0	0	0	104.1	Q303 P307	Q303-T305 PolarHBondContact O-N 2.95Å; T305-P307 VanDerWaalsContact O-CD 3.29Å; T305-P307 WeakPolarHBondContact O-CD 3.22Å
306	I	50.5	Low	70.2	Confident	97 Å²	97	93.8 Å²	93.8	50%	0.497	55%	0.552	S	S	.	*			trans	-50.2	119.6	157.6	-60.8	179	0	0	0	102.3	S304 I308 I311	S304-I306 PolarHBondContact O-N 2.7Å; S304-I306 WeakPolarHBondContact OG-CG1 3.1Å; I306-I308 HydrophobicContact CB-CG1 4.31Å; I306-I308 HydrophobicContact CG2-CG1 4.15Å; I306-I308 PolarHBondContact O-N 3.35Å; I306-I311 HydrophobicContact CG2-CD1 4.26Å
307	P	54.2	Low	69.7	Low	83 Å²	83	97 Å²	97	54%	0.539	57%	0.573	S	S	.	*			trans	-74.3	73.1	-175.9	30.4	-33	0	0	0	107	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.29Å; T305-P307 WeakPolarHBondContact O-CD 3.22Å; P307-V309 PolarHBondContact O-N 2.91Å; P307-G310 WeakPolarHBondContact O-CA 3.4Å; P307-G310 PolarHBondContact O-N 2.7Å; P307-I311 PolarHBondContact O-N 3.29Å
308	I	59.5	Low	69.2	Low	117 Å²	117	95.5 Å²	95.5	60%	0.6	58%	0.575	S	S	*	*	H	α-helix	trans	-56.2	-36	178.1	-65.2	170.1	0	0	0	108.1	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.31Å; I306-I308 HydrophobicContact CG2-CG1 4.15Å; I306-I308 PolarHBondContact O-N 3.35Å; I308-G310 PolarHBondContact O-N 3.48Å; I308-I311 PolarHBondContact O-N 3.35Å; I308-V312 HydrophobicContact CG2-CG2 4.33Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 WeakPolarHBondContact O-CG2 3.35Å; I308-V312 PolarHBondContact O-N 2.9Å
309	V	61.8	Low	68.7	Low	124 Å²	124	95.6 Å²	95.6	75%	0.752	59%	0.586	S	S	*	*	H	α-helix	trans	-60.4	-41.4	172.3	-179.2	0	0	0	0	112.3	P307 A313	P307-V309 PolarHBondContact O-N 2.91Å; V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.34Å; V309-A313 PolarHBondContact O-N 3Å
310	G	68.1	Low	68.6	Low	45 Å²	45	92.5 Å²	92.5	46%	0.464	58%	0.578	S	S	.	*	H	α-helix	trans	-68.7	-38.5	179	0	0	0	0	0	113.2	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.4Å; P307-G310 PolarHBondContact O-N 2.7Å; I308-G310 PolarHBondContact O-N 3.48Å; G310-G314 PolarHBondContact O-N 3.08Å
311	I	74.1	Confident	68.8	Low	93 Å²	93	93.3 Å²	93.3	48%	0.477	58%	0.582	S	S	.	*	H	α-helix	trans	-69.1	-43.7	176.5	-62.6	172.5	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.26Å; P307-I311 PolarHBondContact O-N 3.29Å; I308-I311 PolarHBondContact O-N 3.35Å; I311-G314 PolarHBondContact O-N 3.03Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 WeakPolarHBondContact O-CG 3.01Å; I311-L315 PolarHBondContact O-N 3.37Å
312	V	76.7	Confident	70	Confident	91 Å²	91	92.4 Å²	92.4	55%	0.552	57%	0.571	S	S	*	*	H	α-helix	trans	-64.8	-43.3	177.9	172.6	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.33Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 WeakPolarHBondContact O-CG2 3.35Å; I308-V312 PolarHBondContact O-N 2.9Å; V312-L315 PolarHBondContact O-N 3.11Å; V312-A316 WeakPolarHBondContact O-CB 3.28Å; V312-A316 PolarHBondContact O-N 3.09Å
313	A	77.4	Confident	71.8	Confident	55 Å²	55	92.3 Å²	92.3	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-62.7	-43.5	175.2	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.34Å; V309-A313 PolarHBondContact O-N 3Å; A313-A316 PolarHBondContact O-N 3.03Å; A313-V317 WeakPolarHBondContact O-CG2 3.43Å; A313-V317 PolarHBondContact O-N 2.72Å; A313-V317 VanDerWaalsContact O-N 3.09Å
314	G	82.8	Confident	73.6	Confident	39 Å²	39	86.3 Å²	86.3	40%	0.402	54%	0.544	S	S	.	.	H	α-helix	trans	-60.4	-45.6	176.6	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.08Å; I311-G314 PolarHBondContact O-N 3.03Å; G314-V317 PolarHBondContact O-N 2.91Å; G314-L318 PolarHBondContact O-N 3.5Å
315	L	86.1	Confident	75.5	Confident	113 Å²	113	84.7 Å²	84.7	59%	0.592	54%	0.536	S	S	*	.	H	α-helix	trans	-65.7	-38.5	177.9	-73.5	171.2	0	0	0	112.6	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 WeakPolarHBondContact O-CG 3.01Å; I311-L315 PolarHBondContact O-N 3.37Å; V312-L315 PolarHBondContact O-N 3.11Å; L315-L318 PolarHBondContact O-N 2.99Å; L315-A319 PolarHBondContact O-N 3.21Å
316	A	83.7	Confident	77.3	Confident	56 Å²	56	82.7 Å²	82.7	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-43.5	177	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.28Å; V312-A316 PolarHBondContact O-N 3.09Å; A313-A316 PolarHBondContact O-N 3.03Å; A316-A319 PolarHBondContact O-N 2.93Å; A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.33Å; A316-V320 VanDerWaalsContact O-N 3.12Å
317	V	85.8	Confident	78.7	Confident	96 Å²	96	81.7 Å²	81.7	58%	0.582	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-44.1	176	173.7	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.43Å; A313-V317 PolarHBondContact O-N 2.72Å; A313-V317 VanDerWaalsContact O-N 3.09Å; G314-V317 PolarHBondContact O-N 2.91Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.42Å; V317-V320 PolarHBondContact O-N 2.84Å; V317-V321 HydrophobicContact CG1-CG2 4.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.01Å; V317-V321 PolarHBondContact O-N 3.27Å
318	L	87.1	Confident	79.8	Confident	110 Å²	110	80.1 Å²	80.1	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-60.4	-42.7	178.2	-123.2	150.3	0	0	0	111.9	G314 L315 V321 V322	G314-L318 PolarHBondContact O-N 3.5Å; L315-L318 PolarHBondContact O-N 2.99Å; L318-V321 PolarHBondContact O-N 3.01Å; L318-V322 HydrophobicContact CD2-CG2 4.4Å; L318-V322 VanDerWaalsContact O-CG2 3.3Å; L318-V322 WeakPolarHBondContact O-CG2 3.37Å; L318-V322 PolarHBondContact O-N 2.92Å
319	A	85.7	Confident	80.5	Confident	50 Å²	50	78.5 Å²	78.5	41%	0.413	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-43.6	176.3	0	0	0	0	0	112.3	L315 A316 V317 V321 V322 I323	L315-A319 PolarHBondContact O-N 3.21Å; A316-A319 PolarHBondContact O-N 2.93Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.42Å; A319-V321 PolarHBondContact O-N 3.29Å; A319-V322 PolarHBondContact O-N 3.34Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.44Å; A319-I323 PolarHBondContact O-N 3.46Å
320	V	85.8	Confident	81.1	Confident	104 Å²	104	76.3 Å²	76.3	63%	0.63	50%	0.498	S	S	*	.	H	α-helix	trans	-62.9	-42.5	177.4	173.3	0	0	0	0	111.4	A316 V317 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.33Å; A316-V320 VanDerWaalsContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 2.84Å; V320-I323 PolarHBondContact O-N 3.42Å; V320-G324 PolarHBondContact O-N 3.17Å
321	V	87.3	Confident	81.2	Confident	95 Å²	95	80.2 Å²	80.2	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-44.1	177.8	172.8	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.01Å; V317-V321 PolarHBondContact O-N 3.27Å; L318-V321 PolarHBondContact O-N 3.01Å; A319-V321 PolarHBondContact O-N 3.29Å; V321-G324 PolarHBondContact O-N 3.31Å; V321-A325 WeakPolarHBondContact O-CB 3.42Å; V321-A325 PolarHBondContact O-N 3.01Å
322	V	85.8	Confident	81	Confident	83 Å²	83	80 Å²	80	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-45.9	178.6	172.5	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 HydrophobicContact CD2-CG2 4.4Å; L318-V322 VanDerWaalsContact O-CG2 3.3Å; L318-V322 WeakPolarHBondContact O-CG2 3.37Å; L318-V322 PolarHBondContact O-N 2.92Å; A319-V322 PolarHBondContact O-N 3.34Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.49Å; V322-A325 PolarHBondContact O-N 2.83Å; V322-V326 HydrophobicContact CG1-CG2 4.49Å; V322-V326 VanDerWaalsContact O-CG2 3.31Å; V322-V326 WeakPolarHBondContact O-CG2 3.34Å; V322-V326 PolarHBondContact O-N 3.25Å
323	I	84.3	Confident	80.4	Confident	110 Å²	110	85.2 Å²	85.2	56%	0.564	52%	0.521	S	S	*	.	H	α-helix	trans	-60.7	-45.1	176.9	-66.5	166.2	0	0	0	110.2	A319 V320 A325 V326 V327	A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.44Å; A319-I323 PolarHBondContact O-N 3.46Å; V320-I323 PolarHBondContact O-N 3.42Å; I323-A325 PolarHBondContact O-N 3.19Å; I323-V326 PolarHBondContact O-N 2.62Å; I323-V327 HydrophobicContact CG2-CG2 4.38Å; I323-V327 WeakPolarHBondContact O-CG2 3.34Å; I323-V327 PolarHBondContact O-N 3.46Å
324	G	82.4	Confident	79.6	Confident	40 Å²	40	92.6 Å²	92.6	41%	0.412	54%	0.537	S	S	.	.	H	α-helix	trans	-59.3	-44.3	176.8	0	0	0	0	0	113	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.17Å; V321-G324 PolarHBondContact O-N 3.31Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.49Å; G324-V327 PolarHBondContact O-N 3.07Å; G324-A328 WeakPolarHBondContact O-CB 3.43Å; G324-A328 PolarHBondContact O-N 2.86Å
325	A	81.6	Confident	78.2	Confident	54 Å²	54	99.8 Å²	99.8	45%	0.446	56%	0.557	S	S	.	*	H	α-helix	trans	-65.3	-39.3	177.8	0	0	0	0	0	112.5	V321 V322 I323 T329	V321-A325 WeakPolarHBondContact O-CB 3.42Å; V321-A325 PolarHBondContact O-N 3.01Å; V322-A325 PolarHBondContact O-N 2.83Å; I323-A325 PolarHBondContact O-N 3.19Å; A325-T329 WeakPolarHBondContact O-CB 3.37Å; A325-T329 PolarHBondContact O-N 2.92Å; A325-T329 PolarHBondContact O-OG1 2.73Å
326	V	82.5	Confident	76.7	Confident	81 Å²	81	99.2 Å²	99.2	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-66.4	-44.7	175.9	173.1	0	0	0	0	111	V322 I323 A328 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.49Å; V322-V326 VanDerWaalsContact O-CG2 3.31Å; V322-V326 WeakPolarHBondContact O-CG2 3.34Å; V322-V326 PolarHBondContact O-N 3.25Å; I323-V326 PolarHBondContact O-N 2.62Å; V326-A328 PolarHBondContact O-N 2.64Å; V326-T329 WeakPolarHBondContact CA-OG1 3.44Å; V326-T329 PolarHBondContact O-N 3.19Å; V326-T329 PolarHBondContact O-OG1 3.37Å; V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.38Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.11Å; V326-V330 PolarHBondContact O-N 3.2Å
327	V	80.5	Confident	75.1	Confident	76 Å²	76	104 Å²	104	46%	0.461	59%	0.593	S	S	.	*	H	α-helix	trans	-62.9	-44.6	177.1	173.1	0	0	0	0	110.8	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.38Å; I323-V327 WeakPolarHBondContact O-CG2 3.34Å; I323-V327 PolarHBondContact O-N 3.46Å; G324-V327 PolarHBondContact O-N 3.07Å; V327-T329 PolarHBondContact O-N 3.07Å; V327-V330 PolarHBondContact O-N 3.32Å; V327-M331 HydrophobicContact CG1-CG 4.36Å; V327-M331 HydrophobicContact CG1-SD 4.04Å; V327-M331 WeakPolarHBondContact O-CB 3.49Å; V327-M331 VanDerWaalsContact O-CG 3.31Å; V327-M331 WeakPolarHBondContact O-CG 3.47Å; V327-M331 PolarHBondContact O-N 2.97Å
328	A	76.6	Confident	74.6	Confident	51 Å²	51	104.4 Å²	104.4	42%	0.421	59%	0.593	S	S	.	*	H	α-helix	trans	-61.6	-44	177.6	0	0	0	0	0	112.2	G324 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.43Å; G324-A328 PolarHBondContact O-N 2.86Å; V326-A328 PolarHBondContact O-N 2.64Å; A328-M331 PolarHBondContact O-N 3.29Å; A328-C332 WeakPolarHBondContact O-CB 3.41Å; A328-C332 PolarHBondContact O-N 3.15Å; A328-C332 PolarHBondContact O-SG 2.94Å
329	T	74.8	Confident	73.9	Confident	82 Å²	82	104.1 Å²	104.1	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-66.3	-39.3	177	40.9	0	0	0	0	112.6	A325 V326 V327 C332 R333	A325-T329 WeakPolarHBondContact O-CB 3.37Å; A325-T329 PolarHBondContact O-N 2.92Å; A325-T329 PolarHBondContact O-OG1 2.73Å; V326-T329 WeakPolarHBondContact CA-OG1 3.44Å; V326-T329 PolarHBondContact O-N 3.19Å; V326-T329 PolarHBondContact O-OG1 3.37Å; V327-T329 PolarHBondContact O-N 3.07Å; T329-C332 PolarHBondContact O-N 2.74Å; T329-R333 WeakPolarHBondContact O-CB 3.31Å; T329-R333 WeakPolarHBondContact O-CG 3.23Å; T329-R333 PolarHBondContact O-N 2.72Å
330	V	73.6	Confident	73.2	Confident	78 Å²	78	107.1 Å²	107.1	47%	0.473	60%	0.604	S	S	.	*	H	α-helix	trans	-65	-42.2	174	170.5	0	0	0	0	111.2	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.38Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.11Å; V326-V330 PolarHBondContact O-N 3.2Å; V327-V330 PolarHBondContact O-N 3.32Å; V330-R333 PolarHBondContact O-N 3.3Å; V330-R334 WeakPolarHBondContact O-CB 3.14Å; V330-R334 PolarHBondContact O-N 3.05Å
331	M	72	Confident	72.5	Confident	127 Å²	127	107.2 Å²	107.2	63%	0.626	60%	0.603	S	S	*	*	H	α-helix	trans	-65.6	-41.4	176.7	-73.9	-175.3	71.1	0	0	112.3	V327 A328 R333 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.36Å; V327-M331 HydrophobicContact CG1-SD 4.04Å; V327-M331 WeakPolarHBondContact O-CB 3.49Å; V327-M331 VanDerWaalsContact O-CG 3.31Å; V327-M331 WeakPolarHBondContact O-CG 3.47Å; V327-M331 PolarHBondContact O-N 2.97Å; A328-M331 PolarHBondContact O-N 3.29Å; M331-R333 VanDerWaalsContact C-N 3.34Å; M331-R333 PolarHBondContact O-N 2.93Å; M331-R334 PolarHBondContact O-N 3.04Å; M331-K335 PolarHBondContact O-N 3.16Å; M331-K335 VanDerWaalsContact O-N 3.13Å
332	C	69.3	Low	71.6	Confident	89 Å²	89	108 Å²	108	60%	0.601	61%	0.605	S	S	*	*	H	α-helix	trans	-62	-40.8	174.1	-77.4	0	0	0	0	111.9	A328 T329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.41Å; A328-C332 PolarHBondContact O-N 3.15Å; A328-C332 PolarHBondContact O-SG 2.94Å; T329-C332 PolarHBondContact O-N 2.74Å; C332-K335 PolarHBondContact O-N 3.07Å; C332-S336 PolarHBondContact O-N 3.28Å; C332-S336 PolarHBondContact O-OG 3.08Å
333	R	64.6	Low	70.6	Confident	201 Å²	201	109.7 Å²	109.7	76%	0.758	61%	0.611	S	S	*	*	H	α-helix	trans	-67.5	-34.9	175.3	-78.5	-174.5	166.4	-179.4	-2.6	113.4	T329 V330 M331 K335 S336	T329-R333 WeakPolarHBondContact O-CB 3.31Å; T329-R333 WeakPolarHBondContact O-CG 3.23Å; T329-R333 PolarHBondContact O-N 2.72Å; V330-R333 PolarHBondContact O-N 3.3Å; M331-R333 VanDerWaalsContact C-N 3.34Å; M331-R333 PolarHBondContact O-N 2.93Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 2.72Å; R333-S336 PolarHBondContact O-OG 3.18Å
334	R	59	Low	69.7	Low	209 Å²	209	109.6 Å²	109.6	79%	0.789	62%	0.615	S	S	*	*	H	α-helix	trans	-71.8	-21.3	175.3	-107.1	-177.1	166.7	179.4	-3.4	114.3	V330 M331	V330-R334 WeakPolarHBondContact O-CB 3.14Å; V330-R334 PolarHBondContact O-N 3.05Å; M331-R334 PolarHBondContact O-N 3.04Å
335	K	55	Low	68.7	Low	190 Å²	190	115 Å²	115	83%	0.826	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-7.4	179.9	-142.1	177.8	-173.7	-177.9	0	113.2	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.16Å; M331-K335 VanDerWaalsContact O-N 3.13Å; C332-K335 PolarHBondContact O-N 3.07Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 2.72Å
336	S	53.5	Low	67.6	Low	101 Å²	101	120.1 Å²	120.1	71%	0.706	65%	0.646	S	S	*	*			trans	-112.6	8	-179.5	41.1	0	0	0	0	113.3	C332 R333	C332-S336 PolarHBondContact O-N 3.28Å; C332-S336 PolarHBondContact O-OG 3.08Å; R333-S336 PolarHBondContact O-OG 3.18Å
337	S	50	Low	66.3	Low	156 Å²	156	123.6 Å²	123.6	100%	1.091	66%	0.66	S	S	*	*			trans	-117.1	0	162.8	-175.8	0	0	0	0	108.8

Retrieved 337 of 337 residues in 258.4 ms (Link to these results)

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