A0A090KF41_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KF41, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 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	34.2	Very low	43.9	Very low	237 Å²	237	133.9 Å²	133.9	100%	1.167	71%	0.711	S	S	*	*				0	110.9	0	-73.5	173	-165.8	0	0	107.1	V3	M1-V3 PolarHBondContact O-N 3.08Å
2	L	35.1	Very low	44.1	Very low	174 Å²	174	133.3 Å²	133.3	91%	0.911	71%	0.707	S	S	*	*			trans	-71.9	114.6	173	-90.2	149.5	0	0	0	107.4	M4	L2-M4 PolarHBondContact O-N 3.25Å; L2-M4 VanDerWaalsContact O-N 3.08Å
3	V	39.3	Very low	44	Very low	140 Å²	140	130.5 Å²	130.5	85%	0.848	69%	0.692	S	S	*	*			trans	-70.3	103.2	174.2	178.7	0	0	0	0	107	M1 A5	M1-V3 PolarHBondContact O-N 3.08Å; V3-A5 PolarHBondContact O-N 3.36Å
4	M	41.1	Very low	43.7	Very low	169 Å²	169	125.8 Å²	125.8	83%	0.833	68%	0.675	S	S	*	*			trans	-71.2	109	170.2	-76.9	176.6	56.6	0	0	108.3	L2	L2-M4 PolarHBondContact O-N 3.25Å; L2-M4 VanDerWaalsContact O-N 3.08Å
5	A	43.1	Very low	43.8	Very low	63 Å²	63	120.8 Å²	120.8	52%	0.521	66%	0.658	S	S	.	*			trans	-61.5	142.3	167.9	0	0	0	0	0	109.7	V3 R7	V3-A5 PolarHBondContact O-N 3.36Å; A5-R7 PolarHBondContact O-N 3.34Å
6	P	49.5	Very low	43.8	Very low	76 Å²	76	116.1 Å²	116.1	49%	0.494	64%	0.64	S	S	.	*			trans	-63.7	130	-178.9	-11.4	24.7	0	0	0	109.8	T8 V9 L10	P6-T8 PolarHBondContact O-N 3.35Å; P6-V9 HydrophobicContact CB-CG2 4.25Å; P6-V9 HydrophobicContact CG-CG2 4.09Å; P6-V9 PolarHBondContact O-N 3.1Å; P6-L10 PolarHBondContact O-N 3.01Å
7	R	46.8	Very low	43.5	Very low	214 Å²	214	115.5 Å²	115.5	81%	0.808	64%	0.635	S	S	*	*	H	α-helix	trans	-51.5	-28.2	-179.6	-86.8	177.7	160.5	147.8	-5.7	113.8	A5 L11	A5-R7 PolarHBondContact O-N 3.34Å; R7-L11 WeakPolarHBondContact O-CD1 3.47Å; R7-L11 VanDerWaalsContact O-CG 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.26Å; R7-L11 PolarHBondContact O-N 2.96Å; R7-L11 VanDerWaalsContact O-N 3.1Å
8	T	49.2	Very low	43.2	Very low	96 Å²	96	111.7 Å²	111.7	59%	0.589	62%	0.622	S	S	*	*	H	α-helix	trans	-69.2	-39.3	176.3	35.2	0	0	0	0	113.4	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.35Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L11 PolarHBondContact O-N 2.6Å; T8-L12 WeakPolarHBondContact O-CG 3.4Å; T8-L12 PolarHBondContact O-N 2.95Å
9	V	50.4	Low	43	Very low	74 Å²	74	111.2 Å²	111.2	45%	0.448	62%	0.617	S	S	.	*	H	α-helix	trans	-68.1	-38	176	178.2	0	0	0	0	110.4	P6 L13	P6-V9 HydrophobicContact CB-CG2 4.25Å; P6-V9 HydrophobicContact CG-CG2 4.09Å; P6-V9 PolarHBondContact O-N 3.1Å; V9-L13 HydrophobicContact CG1-CD1 3.89Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 WeakPolarHBondContact O-CD1 3.39Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 3.49Å
10	L	44.7	Very low	42.9	Very low	109 Å²	109	109.4 Å²	109.4	57%	0.571	61%	0.609	S	S	*	*	H	α-helix	trans	-64.8	-40	176.1	-149.4	81.3	0	0	0	111.6	P6 T8 S14	P6-L10 PolarHBondContact O-N 3.01Å; T8-L10 VanDerWaalsContact C-N 3.33Å; L10-S14 WeakPolarHBondContact O-CB 3.39Å; L10-S14 PolarHBondContact O-N 3.01Å; L10-S14 PolarHBondContact O-OG 3.37Å
11	L	49.5	Very low	42.7	Very low	121 Å²	121	112 Å²	112	63%	0.634	62%	0.617	S	S	*	*	H	α-helix	trans	-69.6	-40	178.1	-73.6	166	0	0	0	112.9	R7 T8 S14 A15	R7-L11 WeakPolarHBondContact O-CD1 3.47Å; R7-L11 VanDerWaalsContact O-CG 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.26Å; R7-L11 PolarHBondContact O-N 2.96Å; R7-L11 VanDerWaalsContact O-N 3.1Å; T8-L11 PolarHBondContact O-N 2.6Å; L11-S14 WeakPolarHBondContact O-CB 3.43Å; L11-S14 PolarHBondContact O-N 2.93Å; L11-A15 PolarHBondContact O-N 3.29Å
12	L	46.3	Very low	43.2	Very low	127 Å²	127	105.2 Å²	105.2	67%	0.665	59%	0.589	S	S	*	*	H	α-helix	trans	-67.1	-40.9	175.7	-73	167.9	0	0	0	112	T8 S14 A15 A16	T8-L12 WeakPolarHBondContact O-CG 3.4Å; T8-L12 PolarHBondContact O-N 2.95Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 3.05Å; L12-A15 PolarHBondContact O-N 2.88Å; L12-A16 WeakPolarHBondContact O-CB 3.21Å; L12-A16 PolarHBondContact O-N 2.8Å
13	L	42.3	Very low	43.8	Very low	96 Å²	96	101.3 Å²	101.3	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-64.4	-36.6	172.4	-77.2	163.6	0	0	0	111.8	V9 L17	V9-L13 HydrophobicContact CG1-CD1 3.89Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 WeakPolarHBondContact O-CD1 3.39Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 3.49Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.39Å
14	S	40.9	Very low	44.7	Very low	65 Å²	65	97.6 Å²	97.6	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-67	-39.6	176.2	-53.6	0	0	0	0	112	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.39Å; L10-S14 PolarHBondContact O-N 3.01Å; L10-S14 PolarHBondContact O-OG 3.37Å; L11-S14 WeakPolarHBondContact O-CB 3.43Å; L11-S14 PolarHBondContact O-N 2.93Å; L12-S14 VanDerWaalsContact C-N 3.31Å; L12-S14 PolarHBondContact O-N 3.05Å; S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 2.7Å
15	A	44.3	Very low	46.5	Very low	51 Å²	51	90.5 Å²	90.5	42%	0.421	52%	0.516	S	S	.	.	H	α-helix	trans	-69.3	-42.8	176	0	0	0	0	0	111.7	L11 L12 A18 L19	L11-A15 PolarHBondContact O-N 3.29Å; L12-A15 PolarHBondContact O-N 2.88Å; A15-A18 PolarHBondContact O-N 2.67Å; A15-L19 WeakPolarHBondContact O-CB 3.39Å; A15-L19 WeakPolarHBondContact O-CD1 3.27Å; A15-L19 PolarHBondContact O-N 3.02Å
16	A	43.9	Very low	48.8	Very low	46 Å²	46	90 Å²	90	38%	0.38	51%	0.509	S	S	.	.	H	α-helix	trans	-65.7	-39.3	175.6	0	0	0	0	0	112.4	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.21Å; L12-A16 PolarHBondContact O-N 2.8Å; A16-L19 PolarHBondContact O-N 2.85Å; A16-T20 WeakPolarHBondContact O-CG2 3.22Å; A16-T20 PolarHBondContact O-N 2.91Å; A16-T20 PolarHBondContact O-OG1 2.96Å
17	L	39.2	Very low	51	Low	105 Å²	105	87.7 Å²	87.7	55%	0.55	49%	0.492	S	S	.	.	H	α-helix	trans	-68.5	-39.5	175	-79.7	161.3	0	0	0	112.2	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.39Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.61Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-N 3.03Å; L17-T20 VanDerWaalsContact O-N 3.1Å; L17-T20 PolarHBondContact O-OG1 3.21Å; L17-E21 PolarHBondContact O-N 3.06Å
18	A	37.9	Very low	53.5	Low	48 Å²	48	78.8 Å²	78.8	40%	0.397	46%	0.462	S	S	.	.	H	α-helix	trans	-62.8	-40.5	173.7	0	0	0	0	0	111.4	S14 A15 T20 E21 T22	S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 2.7Å; A15-A18 PolarHBondContact O-N 2.67Å; A18-T20 VanDerWaalsContact C-N 3.29Å; A18-T20 PolarHBondContact O-N 3.42Å; A18-E21 PolarHBondContact O-N 2.92Å; A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.24Å; A18-T22 PolarHBondContact O-N 3.43Å; A18-T22 PolarHBondContact O-OG1 3.37Å; A18-T22 VanDerWaalsContact O-OG1 3.09Å
19	L	38.7	Very low	55.8	Low	101 Å²	101	74.3 Å²	74.3	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-66.7	-24.6	172.2	-94	136.9	0	0	0	113.2	A15 A16 L17	A15-L19 WeakPolarHBondContact O-CB 3.39Å; A15-L19 WeakPolarHBondContact O-CD1 3.27Å; A15-L19 PolarHBondContact O-N 3.02Å; A16-L19 PolarHBondContact O-N 2.85Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.61Å
20	T	41.3	Very low	58.1	Low	76 Å²	76	73.2 Å²	73.2	47%	0.466	42%	0.422	S	S	.	.	H	α-helix	trans	-83.9	-32.6	172.8	52.8	0	0	0	0	113.2	A16 L17 A18	A16-T20 WeakPolarHBondContact O-CG2 3.22Å; A16-T20 PolarHBondContact O-N 2.91Å; A16-T20 PolarHBondContact O-OG1 2.96Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-N 3.03Å; L17-T20 VanDerWaalsContact O-N 3.1Å; L17-T20 PolarHBondContact O-OG1 3.21Å; A18-T20 VanDerWaalsContact C-N 3.29Å; A18-T20 PolarHBondContact O-N 3.42Å
21	E	38.9	Very low	60.7	Low	164 Å²	164	68.7 Å²	68.7	77%	0.766	40%	0.398	S	S	*	.	H	α-helix	trans	-77.7	-29	179.1	-87.3	-172.9	155.4	0	0	113.1	L17 A18 W23	L17-E21 PolarHBondContact O-N 3.06Å; A18-E21 PolarHBondContact O-N 2.92Å; E21-W23 VanDerWaalsContact C-N 3.32Å; E21-W23 PolarHBondContact O-N 2.8Å
22	T	44.2	Very low	63.1	Low	94 Å²	94	67 Å²	67	58%	0.577	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.2	-179.2	56.4	0	0	0	0	114.3	A18	A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.24Å; A18-T22 PolarHBondContact O-N 3.43Å; A18-T22 PolarHBondContact O-OG1 3.37Å; A18-T22 VanDerWaalsContact O-OG1 3.09Å
23	W	49	Very low	65.6	Low	93 Å²	93	61 Å²	61	35%	0.352	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-28.5	-171.5	-77.3	65.7	0	0	0	114.1	E21 G25 E236	E21-W23 VanDerWaalsContact C-N 3.32Å; E21-W23 PolarHBondContact O-N 2.8Å; W23-G25 PolarHBondContact O-N 2.86Å; W23-E236 HydrophobicContact CE3-CB 4.09Å; W23-E236 HydrophobicContact CE3-CG 4.09Å; W23-E236 HydrophobicContact CH2-CB 3.48Å; W23-E236 VanDerWaalsContact CH2-CB 3.48Å; W23-E236 HydrophobicContact CH2-CG 3.03Å; W23-E236 HydrophobicContact CZ2-CG 3.83Å; W23-E236 HydrophobicContact CZ3-CB 3.12Å; W23-E236 HydrophobicContact CZ3-CG 3.18Å
24	A	57.1	Low	68.2	Low	61 Å²	61	58 Å²	58	50%	0.504	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	104.9	-178.6	0	0	0	0	0	110.6	P129	A24-P129 WeakPolarHBondContact O-CG 3.45Å
25	G	78.5	Confident	71	Confident	21 Å²	21	55 Å²	55	22%	0.216	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	17.7	167.1	0	0	0	0	0	116.9	W23 G128 P129	W23-G25 PolarHBondContact O-N 2.86Å; G25-G128 CarbonylContact O-C 3.5Å; G25-P129 WeakPolarHBondContact O-CA 3.42Å; G25-P129 WeakPolarHBondContact O-CG 3.42Å
26	S	92.2	Very high	73.6	Confident	52 Å²	52	55.4 Å²	55.4	36%	0.364	31%	0.313	S	S	.	.			trans	-85.2	142.1	162.3	64.8	0	0	0	0	110.2	V127	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.33Å
27	H	96.6	Very high	76.1	Confident	28 Å²	28	54.1 Å²	54.1	13%	0.13	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.8	-179.9	-65.8	-79.1	0	0	0	111.1	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.34Å; H27-D53 IonicContact CE1-OD2 3.92Å; H27-D53 IonicContact CG-OD2 3.01Å; H27-D53 IonicContact ND1-OD1 3.5Å; H27-D53 IonicContact ND1-OD2 3.77Å; H27-D53 PolarHBondContact ND1-OD2 2.87Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.18Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 3.4Å; H27-V127 PolarHBondContact O-N 2.74Å; H27-L192 HydrophobicContact CB-CD1 4.42Å; H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.45Å
28	S	98	Very high	78.8	Confident	26 Å²	26	52.8 Å²	52.8	18%	0.182	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.7	178.6	64.3	0	0	0	0	111.6	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.32Å; S28-D53 PolarHBondContact N-OD1 2.91Å; S28-D53 PolarHBondContact O-N 3.44Å; S28-D53 PolarHBondContact OG-OD1 3Å; S28-C125 CarbonylContact C-O 3.55Å; S28-C125 VanDerWaalsContact CA-O 3.31Å; S28-C125 WeakPolarHBondContact CA-O 3.19Å; S28-D126 WeakPolarHBondContact CB-OD1 3.23Å
29	M	98.7	Very high	81.4	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.2	166	-175.2	170.4	63.6	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.38Å; M29-Y31 HydrophobicContact CG-CE2 4.23Å; M29-Y31 HydrophobicContact SD-CE2 4.16Å; M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.37Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.37Å; M29-F57 HydrophobicContact CG-CZ 4.5Å; M29-F57 HydrophobicContact SD-CZ 4.24Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.26Å; M29-C125 PolarHBondContact N-O 2.82Å; M29-C125 PolarHBondContact O-N 3.32Å; M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.37Å; M29-W191 HydrophobicContact CE-CB 4.12Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4Å; M29-L192 HydrophobicContact CB-CD2 4.09Å; M29-L192 HydrophobicContact CB-CG 4.25Å; M29-L192 HydrophobicContact CE-CB 4.42Å; M29-L192 HydrophobicContact SD-CB 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.49Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.25Å
30	R	98.7	Very high	83.8	Confident	51 Å²	51	52.4 Å²	52.4	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.6	-177.7	-57.6	-62.4	-178	76	7.5	111.1	F32 G50 Y51 Y123 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; R30-Y51 PolarHBondContact N-O 2.87Å; R30-Y51 PolarHBondContact O-N 3.01Å; R30-Y123 WeakPolarHBondContact CA-O 3.31Å; R30-D126 IonicContact CZ-OD1 3.8Å; R30-D126 IonicContact NE-OD1 3.01Å; R30-D126 PolarHBondContact NE-OD1 3.28Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.05Å; R30-D126 PolarHBondContact NH2-OD1 3.02Å; R30-D126 IonicContact NH2-OD2 2.83Å; R30-D126 PolarHBondContact NH2-OD2 2.78Å; R30-D126 VanDerWaalsContact NH2-OD2 3.13Å; R30-H137 PolarHBondContact NH2-NE2 2.83Å; R30-H137 VanDerWaalsContact NH2-NE2 3.1Å
31	Y	98.8	Very high	86.3	Confident	15 Å²	15	58.9 Å²	58.9	6%	0.059	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.6	167.5	-73.3	-92.6	0	0	0	109.4	M29 V49 F57 V58 F91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.38Å; M29-Y31 HydrophobicContact CG-CE2 4.23Å; M29-Y31 HydrophobicContact SD-CE2 4.16Å; Y31-V49 WeakPolarHBondContact CA-O 3.5Å; Y31-F57 HydrophobicContact CE1-CZ 4.23Å; Y31-F57 HydrophobicContact CE2-CZ 4.31Å; Y31-F57 AromaticContact CZ-CZ 3.72Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.18Å; Y31-V58 HydrophobicContact CE1-CG2 3.84Å; Y31-F91 HydrophobicContact CD1-CZ 4.22Å; Y31-F91 HydrophobicContact CE1-CZ 4.08Å; Y31-M122 WeakPolarHBondContact O-CA 3.39Å; Y31-Y123 HydrophobicContact CD2-CD2 4.44Å; Y31-Y123 AromaticContact CD2-CE2 3.73Å; Y31-Y123 HydrophobicContact CD2-CE2 3.73Å; Y31-Y123 AromaticContact CG-CE2 3.92Å; Y31-Y123 HydrophobicContact CG-CE2 3.92Å; Y31-Y123 AromaticContact CG-CZ 3.79Å; Y31-Y123 PolarHBondContact N-O 2.86Å; Y31-Y123 PolarHBondContact O-N 3.06Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.8	Very high	88.8	Confident	84 Å²	84	53.7 Å²	53.7	37%	0.368	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113.6	176.4	-57.5	-94.1	0	0	0	108.6	R30 S48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-S48 WeakPolarHBondContact O-CA 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.41Å; F32-V49 PolarHBondContact O-N 2.88Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-S121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.12Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.04Å
33	D	98.8	Very high	91.2	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.5	176.5	-60.7	-12.1	0	0	0	109.1	F46 I47 S48 Y98 Q120 S121	D33-F46 HydrophobicContact CB-CE2 3.8Å; D33-F46 HydrophobicContact CB-CZ 3.88Å; D33-I47 CarbonylContact C-O 3.55Å; D33-I47 WeakPolarHBondContact CA-O 3.47Å; D33-S48 WeakPolarHBondContact OD1-CB 3.1Å; D33-S48 PolarHBondContact OD1-OG 3.17Å; D33-Y98 HydrophobicContact CB-CE1 4.13Å; D33-Q120 CarbonylContact O-C 3.59Å; D33-Q120 VanDerWaalsContact O-CA 3.27Å; D33-Q120 WeakPolarHBondContact O-CA 3.36Å; D33-S121 WeakPolarHBondContact CB-OG 3.03Å; D33-S121 PolarHBondContact N-O 3.5Å; D33-S121 PolarHBondContact O-N 2.99Å
34	T	98.8	Very high	93.5	Very high	34 Å²	34	49.6 Å²	49.6	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	119.8	177.4	-61.2	0	0	0	0	109.7	M36 F46 I47 T118 L119 Q120	T34-M36 HydrophobicContact CG2-CE 4.15Å; T34-M36 HydrophobicContact CG2-CG 4.1Å; T34-M36 HydrophobicContact CG2-SD 4.34Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; T34-I47 PolarHBondContact N-O 3.35Å; T34-I47 PolarHBondContact O-N 2.95Å; T34-T118 HydrophobicContact CG2-CG2 3.94Å; T34-L119 WeakPolarHBondContact CA-O 3.11Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å
35	A	98.6	Very high	95.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.4	170.9	0	0	0	0	0	110.8	R45 F46 Y98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.32Å; A35-F46 HydrophobicContact CB-CD2 4.23Å; A35-Y98 HydrophobicContact CB-CD1 3.57Å; A35-Y98 HydrophobicContact CB-CG 4Å; A35-L102 HydrophobicContact CB-CD1 3.81Å; A35-T118 CarbonylContact O-C 3.55Å; A35-T118 WeakPolarHBondContact O-CA 3.45Å; A35-L119 PolarHBondContact N-O 3.21Å; A35-L119 PolarHBondContact O-N 2.78Å
36	M	98.3	Very high	96.4	Very high	61 Å²	61	49.6 Å²	49.6	30%	0.3	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.5	-179.9	-65.6	158.7	-76.6	0	0	109.3	T34 P44 R45 I47 T118	T34-M36 HydrophobicContact CG2-CE 4.15Å; T34-M36 HydrophobicContact CG2-CG 4.1Å; T34-M36 HydrophobicContact CG2-SD 4.34Å; M36-P44 CarbonylContact O-C 3.52Å; M36-P44 WeakPolarHBondContact O-CA 3.36Å; M36-P44 WeakPolarHBondContact O-CB 3.5Å; M36-R45 HydrophobicContact CE-CB 4.47Å; M36-R45 HydrophobicContact CE-CG 4.47Å; M36-R45 PolarHBondContact N-O 2.8Å; M36-R45 PolarHBondContact O-N 3.39Å; M36-I47 HydrophobicContact CE-CD1 3.94Å; M36-I47 HydrophobicContact CE-CG1 4.42Å; M36-T118 HydrophobicContact CG-CG2 4.01Å
37	S	97.4	Very high	96.7	Very high	19 Å²	19	48.9 Å²	48.9	13%	0.133	26%	0.263	C	S	.	.			trans	-68.6	148.2	171.1	78.8	0	0	0	0	110.1	S116 H117	S37-S116 PolarHBondContact O-OG 3.33Å; S37-H117 PolarHBondContact N-O 3.06Å; S37-H117 PolarHBondContact OG-N 3.04Å; S37-H117 PolarHBondContact OG-O 3.3Å
38	R	95.5	Very high	96.8	Very high	76 Å²	76	47.7 Å²	47.7	29%	0.287	26%	0.257	S	S	.	.			trans	-141.3	72.3	-179.2	53.4	174.9	175.6	-159.7	-10.9	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.04Å; R38-R41 HydrophobicContact CB-CB 4.17Å; R38-R41 WeakPolarHBondContact CD-O 3.3Å; R38-R41 HydrophobicContact CG-CB 4.27Å; R38-R41 PolarHBondContact NE-O 2.87Å; R38-R41 PolarHBondContact O-N 2.91Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 3.09Å; R38-E43 PolarHBondContact NH2-O 3.43Å; R38-D63 IonicContact CZ-OD1 3.6Å; R38-D63 IonicContact CZ-OD2 3.56Å; R38-D63 IonicContact NH1-OD1 3.94Å; R38-D63 PolarHBondContact NH1-OD1 3.45Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 3.18Å; R38-D63 IonicContact NH2-OD1 3.59Å; R38-D63 PolarHBondContact NH2-OD1 3.17Å; R38-D63 IonicContact NH2-OD2 3.86Å
39	P	91.8	Very high	96.9	Very high	55 Å²	55	47.9 Å²	47.9	36%	0.357	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	129.4	-176	-26.4	34	0	0	0	112.4	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.25Å; P39-R41 PolarHBondContact O-N 3.04Å; P39-E113 WeakPolarHBondContact CB-O 3.35Å; P39-E113 VanDerWaalsContact CG-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; P39-G115 WeakPolarHBondContact CG-O 3.45Å
40	G	91	Very high	96.9	Very high	87 Å²	87	47.8 Å²	47.8	90%	0.897	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	2.3	-178.3	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.04Å
41	R	92.9	Very high	96.9	Very high	211 Å²	211	48.7 Å²	48.7	80%	0.796	26%	0.261	S	S	*	.	S	Bend	trans	-124.2	22.1	179.3	-59.2	-174.7	-177.9	176.1	1.4	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.17Å; R38-R41 WeakPolarHBondContact CD-O 3.3Å; R38-R41 HydrophobicContact CG-CB 4.27Å; R38-R41 PolarHBondContact NE-O 2.87Å; R38-R41 PolarHBondContact O-N 2.91Å; P39-R41 VanDerWaalsContact C-N 3.25Å; P39-R41 PolarHBondContact O-N 3.04Å
42	G	91.7	Very high	96.9	Very high	56 Å²	56	48 Å²	48	58%	0.577	26%	0.258	S	S	*	.	S	Bend	trans	102	-167.3	179.2	0	0	0	0	0	113.6
43	E	94.9	Very high	96.7	Very high	82 Å²	82	45.4 Å²	45.4	38%	0.383	25%	0.248	S	C	.	.	S	Bend	trans	-69.7	155.7	179.6	-69.1	-63.9	162.5	0	0	112.1	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 3.09Å; R38-E43 PolarHBondContact NH2-O 3.43Å; E43-R45 PolarHBondContact O-N 2.91Å; E43-R99 VanDerWaalsContact CB-NH2 3.34Å; E43-R99 WeakPolarHBondContact OE2-CD 3.32Å; E43-R99 IonicContact OE2-CZ 3.19Å; E43-R99 IonicContact OE2-NE 3.74Å; E43-R99 PolarHBondContact OE2-NE 2.83Å; E43-R99 IonicContact OE2-NH1 3.8Å; E43-R99 IonicContact OE2-NH2 2.78Å; E43-R103 IonicContact OE1-NH2 3.92Å; E43-R103 IonicContact OE2-NH2 3.06Å
44	P	96.7	Very high	96.6	Very high	19 Å²	19	48.2 Å²	48.2	12%	0.123	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-51.6	136.6	174.9	-25.9	34.6	0	0	0	112.2	M36 R99 L102	M36-P44 CarbonylContact O-C 3.52Å; M36-P44 WeakPolarHBondContact O-CA 3.36Å; M36-P44 WeakPolarHBondContact O-CB 3.5Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.17Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.94Å
45	R	98.1	Very high	96.5	Very high	80 Å²	80	47.3 Å²	47.3	30%	0.302	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131	173.4	-177.6	-177.7	-175.2	-178.5	-1.1	108.7	A35 M36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.32Å; M36-R45 HydrophobicContact CE-CB 4.47Å; M36-R45 HydrophobicContact CE-CG 4.47Å; M36-R45 PolarHBondContact N-O 2.8Å; M36-R45 PolarHBondContact O-N 3.39Å; E43-R45 PolarHBondContact O-N 2.91Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; R45-D61 IonicContact CZ-OD1 3.44Å; R45-D61 IonicContact CZ-OD2 3.86Å; R45-D61 IonicContact NE-OD1 3.65Å; R45-D61 PolarHBondContact NE-OD1 2.67Å; R45-D61 IonicContact NE-OD2 3.43Å; R45-D61 IonicContact NH2-OD1 2.74Å; R45-D61 PolarHBondContact NH2-OD1 2.82Å; R45-D61 IonicContact NH2-OD2 3.91Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.4Å; R45-D63 HydrophobicContact CG-CB 4.34Å; R45-D63 IonicContact NE-OD2 3.44Å
46	F	98.6	Very high	96.5	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.1	176.1	177.9	-93.7	0	0	0	109.9	D33 T34 A35 F60 S62 F91 N94 T95 Y98	D33-F46 HydrophobicContact CB-CE2 3.8Å; D33-F46 HydrophobicContact CB-CZ 3.88Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.23Å; F46-F60 AromaticContact CD1-CD1 3.77Å; F46-F60 HydrophobicContact CD1-CD1 3.77Å; F46-F60 AromaticContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 4.01Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; F46-S62 PolarHBondContact N-OG 3.25Å; F46-S62 PolarHBondContact O-N 2.91Å; F46-S62 PolarHBondContact O-OG 3.24Å; F46-F91 HydrophobicContact CE1-CB 4.32Å; F46-F91 HydrophobicContact CE1-CD1 4.08Å; F46-F91 HydrophobicContact CZ-CD1 4.4Å; F46-N94 HydrophobicContact CE1-CB 4.35Å; F46-N94 HydrophobicContact CE2-CB 4.21Å; F46-N94 HydrophobicContact CZ-CB 3.79Å; F46-T95 HydrophobicContact CB-CG2 3.95Å; F46-T95 VanDerWaalsContact CD1-OG1 3.27Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.33Å; F46-Y98 HydrophobicContact CD2-CD1 4.26Å; F46-Y98 HydrophobicContact CD2-CD2 4.27Å; F46-Y98 AromaticContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CE2-CD1 4.1Å; F46-Y98 AromaticContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CE1 4.29Å; F46-Y98 AromaticContact CE2-CE2 3.98Å; F46-Y98 HydrophobicContact CE2-CE2 3.98Å; F46-Y98 AromaticContact CE2-CG 3.83Å; F46-Y98 HydrophobicContact CE2-CG 3.83Å
47	I	98.8	Very high	96.5	Very high	37 Å²	37	47 Å²	47	19%	0.19	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.4	175.6	-57.3	175.6	0	0	0	107.4	D33 T34 M36 R45 V49 F60	D33-I47 CarbonylContact C-O 3.55Å; D33-I47 WeakPolarHBondContact CA-O 3.47Å; T34-I47 PolarHBondContact N-O 3.35Å; T34-I47 PolarHBondContact O-N 2.95Å; M36-I47 HydrophobicContact CE-CD1 3.94Å; M36-I47 HydrophobicContact CE-CG1 4.42Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.43Å
48	S	98.8	Very high	96.6	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.2	168.8	-177.1	0	0	0	0	109.8	F32 D33 R59 F60 F91	F32-S48 WeakPolarHBondContact O-CA 3.47Å; D33-S48 WeakPolarHBondContact OD1-CB 3.1Å; D33-S48 PolarHBondContact OD1-OG 3.17Å; S48-R59 CarbonylContact O-C 3.58Å; S48-R59 WeakPolarHBondContact O-CA 3.47Å; S48-F60 PolarHBondContact N-O 3.07Å; S48-F60 PolarHBondContact O-N 2.86Å; S48-F91 WeakPolarHBondContact OG-CE1 3.4Å
49	V	98.9	Very high	96.7	Very high	30 Å²	30	46.7 Å²	46.7	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.9	172.4	-64.1	0	0	0	0	110	Y31 F32 I47 Y51 Q56 R59	Y31-V49 WeakPolarHBondContact CA-O 3.5Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.41Å; F32-V49 PolarHBondContact O-N 2.88Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.29Å; V49-R59 HydrophobicContact CG1-CB 4.4Å; V49-R59 HydrophobicContact CG1-CG 4.18Å
50	G	98.7	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.3	177	0	0	0	0	0	111.2	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; G50-Q56 WeakPolarHBondContact O-CA 3.49Å; G50-Q56 WeakPolarHBondContact O-CG 3.47Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 2.79Å; G50-V58 PolarHBondContact N-O 3.1Å; G50-V58 VanDerWaalsContact N-O 3.12Å; G50-V58 PolarHBondContact O-N 3.49Å
51	Y	98.7	Very high	97.4	Very high	70 Å²	70	40.9 Å²	40.9	28%	0.275	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.3	178.1	-78.3	-102.6	0	0	0	110.9	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.37Å; R30-Y51 PolarHBondContact N-O 2.87Å; R30-Y51 PolarHBondContact O-N 3.01Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.54Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.78Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.4	156.7	177.3	0	0	0	0	106.3	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.32Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 3.42Å; V52-T55 PolarHBondContact N-O 3.17Å; V52-T55 WeakPolarHBondContact O-CB 3.03Å; V52-T55 PolarHBondContact O-N 3.03Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4Å; V52-W75 HydrophobicContact CB-CH2 4.44Å; V52-W75 HydrophobicContact CB-CZ2 4.5Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å
53	D	96.5	Very high	97.9	Very high	30 Å²	30	32.8 Å²	32.8	16%	0.16	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-126.4	-166.2	-52.9	-41.6	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.34Å; H27-D53 IonicContact CE1-OD2 3.92Å; H27-D53 IonicContact CG-OD2 3.01Å; H27-D53 IonicContact ND1-OD1 3.5Å; H27-D53 IonicContact ND1-OD2 3.77Å; H27-D53 PolarHBondContact ND1-OD2 2.87Å; S28-D53 PolarHBondContact N-OD1 2.91Å; S28-D53 PolarHBondContact O-N 3.44Å; S28-D53 PolarHBondContact OG-OD1 3Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.95Å
54	D	96.5	Very high	98	Very high	61 Å²	61	30.5 Å²	30.5	33%	0.326	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	12.1	177.6	-60.3	-57.5	0	0	0	114.2	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.42Å; D54-Y233 HydrophobicContact CB-CE2 3.87Å; D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.42Å; D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 3.46Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.9	Very high	98	Very high	15 Å²	15	35.2 Å²	35.2	9%	0.092	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.7	-177.9	-57.7	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 3.48Å; V52-T55 PolarHBondContact N-O 3.17Å; V52-T55 WeakPolarHBondContact O-CB 3.03Å; V52-T55 PolarHBondContact O-N 3.03Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.95Å; T55-F57 PolarHBondContact O-N 2.79Å; T55-L203 HydrophobicContact CG2-CD2 4.16Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.49Å; T55-Y233 PolarHBondContact OG1-OH 2.89Å; T55-R263 PolarHBondContact OG1-NE 2.81Å
56	Q	97.9	Very high	98	Very high	54 Å²	54	34.9 Å²	34.9	25%	0.252	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.2	173.1	-166	179	-0.9	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.29Å; G50-Q56 WeakPolarHBondContact O-CA 3.49Å; G50-Q56 WeakPolarHBondContact O-CG 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.54Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.78Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Q56-V58 PolarHBondContact NE2-O 3.31Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.33Å
57	F	98.3	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-23.6	-179.6	74.4	-83.4	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.37Å; M29-F57 HydrophobicContact CG-CZ 4.5Å; M29-F57 HydrophobicContact SD-CZ 4.24Å; Y31-F57 HydrophobicContact CE1-CZ 4.23Å; Y31-F57 HydrophobicContact CE2-CZ 4.31Å; Y31-F57 AromaticContact CZ-CZ 3.72Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.18Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 2.79Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 4Å; T55-F57 PolarHBondContact O-N 2.79Å; F57-R72 PolarHBondContact O-N 2.83Å; F57-A73 HydrophobicContact CB-CB 4.08Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 3.95Å; F57-W75 HydrophobicContact CD1-CH2 4.03Å; F57-W75 AromaticContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CZ3 4.08Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.93Å; 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 3.36Å; F57-Y195 HydrophobicContact CD2-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.91Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.72Å; F57-Y195 HydrophobicContact CZ-CE2 3.72Å
58	V	98.6	Very high	97.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.5	177.4	-72.5	0	0	0	0	112.6	Y31 G50 Q56 E69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.84Å; G50-V58 PolarHBondContact N-O 3.1Å; G50-V58 VanDerWaalsContact N-O 3.12Å; G50-V58 PolarHBondContact O-N 3.49Å; Q56-V58 PolarHBondContact NE2-O 3.31Å; V58-E69 HydrophobicContact CB-CG 3.94Å; V58-E69 WeakPolarHBondContact CB-OE1 2.94Å; V58-E69 HydrophobicContact CG1-CG 4.04Å; V58-E69 WeakPolarHBondContact CG1-OE1 3.41Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.42Å; V58-E70 WeakPolarHBondContact CA-O 3.42Å; V58-I76 HydrophobicContact CG1-CG1 4.28Å; V58-W84 HydrophobicContact CG1-CH2 4.17Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å
59	R	98.6	Very high	97.8	Very high	88 Å²	88	41.6 Å²	41.6	33%	0.332	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142.9	171.2	177.2	172.5	166.7	-172.5	-2.7	111.1	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.58Å; S48-R59 WeakPolarHBondContact O-CA 3.47Å; V49-R59 HydrophobicContact CG1-CB 4.4Å; V49-R59 HydrophobicContact CG1-CG 4.18Å; R59-D61 IonicContact CZ-OD2 3.54Å; R59-D61 IonicContact NH2-OD2 3.37Å; R59-D61 PolarHBondContact NH2-OD2 3.07Å; R59-E70 PolarHBondContact N-O 3.04Å; R59-E70 PolarHBondContact O-N 3.18Å; R59-R72 HydrophobicContact CB-CG 4.04Å
60	F	98.8	Very high	97.8	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.4	165	179.7	-86.2	0	0	0	109.8	F46 I47 S48 P67 F91 K92	F46-F60 AromaticContact CD1-CD1 3.77Å; F46-F60 HydrophobicContact CD1-CD1 3.77Å; F46-F60 AromaticContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 4.01Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.43Å; S48-F60 PolarHBondContact N-O 3.07Å; S48-F60 PolarHBondContact O-N 2.86Å; F60-P67 HydrophobicContact CE2-CB 3.92Å; F60-P67 HydrophobicContact CZ-CB 3.69Å; F60-F91 HydrophobicContact CB-CB 4.12Å; F60-F91 HydrophobicContact CB-CD2 3.92Å; F60-F91 HydrophobicContact CB-CG 3.97Å; F60-F91 HydrophobicContact CD1-CB 3.78Å; F60-F91 HydrophobicContact CD1-CG 4.45Å; F60-F91 HydrophobicContact CD2-CB 3.58Å; F60-F91 HydrophobicContact CD2-CD2 4.21Å; F60-F91 HydrophobicContact CD2-CG 4.21Å; F60-F91 HydrophobicContact CE1-CB 4.04Å; F60-F91 HydrophobicContact CE2-CB 3.85Å; F60-F91 HydrophobicContact CG-CB 3.55Å; F60-F91 HydrophobicContact CG-CD2 4.19Å; F60-F91 AromaticContact CG-CG 3.97Å; F60-F91 HydrophobicContact CG-CG 3.97Å; F60-F91 HydrophobicContact CZ-CB 4.07Å; F60-K92 HydrophobicContact CE2-CG 4.33Å; F60-K92 HydrophobicContact CZ-CG 4.14Å
61	D	98.6	Very high	97.8	Very high	16 Å²	16	46.1 Å²	46.1	9%	0.086	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	118.3	176.6	-163.6	-26.8	0	0	0	109.9	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.44Å; R45-D61 IonicContact CZ-OD2 3.86Å; R45-D61 IonicContact NE-OD1 3.65Å; R45-D61 PolarHBondContact NE-OD1 2.67Å; R45-D61 IonicContact NE-OD2 3.43Å; R45-D61 IonicContact NH2-OD1 2.74Å; R45-D61 PolarHBondContact NH2-OD1 2.82Å; R45-D61 IonicContact NH2-OD2 3.91Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R59-D61 IonicContact CZ-OD2 3.54Å; R59-D61 IonicContact NH2-OD2 3.37Å; R59-D61 PolarHBondContact NH2-OD2 3.07Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.32Å; D61-A64 PolarHBondContact O-N 3.22Å; D61-A64 VanDerWaalsContact O-N 3.16Å
62	S	98.2	Very high	97.7	Very high	27 Å²	27	47.8 Å²	47.8	19%	0.189	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.2	-177.9	70.8	0	0	0	0	113.4	F46 P67	F46-S62 PolarHBondContact N-OG 3.25Å; F46-S62 PolarHBondContact O-N 2.91Å; F46-S62 PolarHBondContact O-OG 3.24Å; S62-P67 WeakPolarHBondContact O-CG 3.39Å
63	D	97.4	Very high	97.6	Very high	70 Å²	70	48 Å²	48	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.1	179.1	-80.7	4.1	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.6Å; R38-D63 IonicContact CZ-OD2 3.56Å; R38-D63 IonicContact NH1-OD1 3.94Å; R38-D63 PolarHBondContact NH1-OD1 3.45Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 3.18Å; R38-D63 IonicContact NH2-OD1 3.59Å; R38-D63 PolarHBondContact NH2-OD1 3.17Å; R38-D63 IonicContact NH2-OD2 3.86Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.4Å; R45-D63 HydrophobicContact CG-CB 4.34Å; R45-D63 IonicContact NE-OD2 3.44Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 2.92Å
64	A	97.3	Very high	97.7	Very high	34 Å²	34	51.6 Å²	51.6	28%	0.281	29%	0.287	S	S	.	.	S	Bend	trans	-61.5	149.5	173.1	0	0	0	0	0	110.8	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.32Å; D61-A64 PolarHBondContact O-N 3.22Å; D61-A64 VanDerWaalsContact O-N 3.16Å; A64-S66 PolarHBondContact O-N 3Å; A64-S66 VanDerWaalsContact O-N 3.17Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.46Å
65	A	96.7	Very high	97.7	Very high	118 Å²	118	49.5 Å²	49.5	98%	0.975	27%	0.274	S	S	*	.	S	Bend	trans	-59.1	-31.3	-180	0	0	0	0	0	112.9
66	S	96.1	Very high	97.7	Very high	74 Å²	74	48.8 Å²	48.8	52%	0.517	27%	0.27	S	S	.	.	S	Bend	trans	-135.1	88.3	172	-177.1	0	0	0	0	108.3	A64 R68	A64-S66 PolarHBondContact O-N 3Å; A64-S66 VanDerWaalsContact O-N 3.17Å; S66-R68 PolarHBondContact O-N 3.47Å; S66-R68 VanDerWaalsContact O-N 3.07Å
67	P	97.2	Very high	97.7	Very high	36 Å²	36	52.3 Å²	52.3	23%	0.234	29%	0.287	C	S	.	.			trans	-61.3	113.9	-175.2	-25.2	35.8	0	0	0	111.6	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.92Å; F60-P67 HydrophobicContact CZ-CB 3.69Å; S62-P67 WeakPolarHBondContact O-CG 3.39Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.46Å; P67-K92 WeakPolarHBondContact O-CE 3.5Å
68	R	98.1	Very high	97.5	Very high	137 Å²	137	58 Å²	58	52%	0.517	31%	0.313	S	S	.	.			trans	-143.7	156.4	177.7	-65.4	-169.3	174.6	-154.5	-5.8	109.3	S66 T88	S66-R68 PolarHBondContact O-N 3.47Å; S66-R68 VanDerWaalsContact O-N 3.07Å; R68-T88 HydrophobicContact CB-CG2 4.33Å; R68-T88 HydrophobicContact CG-CG2 4.15Å
69	E	98.3	Very high	97.5	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.037	32%	0.315	C	S	.	.			trans	-69.8	129.3	166.2	-169.2	-174.8	-143.1	0	0	108.4	V58 W84 N87 T88 F91	V58-E69 HydrophobicContact CB-CG 3.94Å; V58-E69 WeakPolarHBondContact CB-OE1 2.94Å; V58-E69 HydrophobicContact CG1-CG 4.04Å; V58-E69 WeakPolarHBondContact CG1-OE1 3.41Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.42Å; E69-W84 HydrophobicContact CB-CE3 4.21Å; E69-W84 HydrophobicContact CB-CZ3 4.46Å; E69-W84 HydrophobicContact CG-CE3 4.21Å; E69-W84 HydrophobicContact CG-CZ3 4Å; E69-N87 WeakPolarHBondContact OE2-CB 3.34Å; E69-N87 PolarHBondContact OE2-ND2 3.43Å; E69-T88 PolarHBondContact N-OG1 3.1Å; E69-F91 HydrophobicContact CB-CD2 4.24Å; E69-F91 HydrophobicContact CB-CE2 4.32Å; E69-F91 HydrophobicContact CG-CD2 4.37Å; E69-F91 HydrophobicContact CG-CE2 3.97Å; E69-F91 WeakPolarHBondContact OE1-CE2 3.32Å
70	E	98.3	Very high	97.4	Very high	78 Å²	78	56 Å²	56	36%	0.364	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.6	-176.8	-64.6	179.7	169.1	0	0	110.4	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.42Å; R59-E70 PolarHBondContact N-O 3.04Å; R59-E70 PolarHBondContact O-N 3.18Å; E70-R72 IonicContact OE2-CZ 3.91Å; E70-R72 IonicContact OE2-NH1 2.69Å; E70-R72 IonicContact OE2-NH2 2.89Å; E70-R72 PolarHBondContact OE2-NH2 2.84Å
71	P	98.3	Very high	97.4	Very high	47 Å²	47	60.4 Å²	60.4	31%	0.305	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	145.5	174.4	28.1	-34.2	0	0	0	111.4	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.66Å; P71-E77 HydrophobicContact CB-CG 3.8Å; P71-E77 HydrophobicContact CG-CG 4.07Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.06Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.44Å
72	R	97.8	Very high	97.3	Very high	106 Å²	106	67.6 Å²	67.6	40%	0.4	38%	0.379	S	S	.	.			trans	-127.7	-3.5	174.1	-60.9	-63.3	176.7	-148.7	-6.5	113.6	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; F57-R72 PolarHBondContact O-N 2.83Å; R59-R72 HydrophobicContact CB-CG 4.04Å; E70-R72 IonicContact OE2-CZ 3.91Å; E70-R72 IonicContact OE2-NH1 2.69Å; E70-R72 IonicContact OE2-NH2 2.89Å; E70-R72 PolarHBondContact OE2-NH2 2.84Å
73	A	96.4	Very high	97.3	Very high	4 Å²	4	66.8 Å²	66.8	3%	0.033	37%	0.372	C	S	.	.	S	Bend	trans	-134.2	143.8	173.9	0	0	0	0	0	110.8	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.08Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.98Å; A73-I76 WeakPolarHBondContact O-CG2 3.43Å; A73-I76 PolarHBondContact O-N 2.95Å
74	P	96.8	Very high	97.4	Very high	105 Å²	105	65.4 Å²	65.4	68%	0.682	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-59	-36.1	-177.8	-26.7	35.1	0	0	0	114.1	I76 E77	P74-I76 PolarHBondContact O-N 2.03Å; P74-E77 WeakPolarHBondContact O-CB 3.19Å; P74-E77 PolarHBondContact O-N 3.06Å
75	W	96.6	Very high	97.4	Very high	17 Å²	17	68.3 Å²	68.3	6%	0.064	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-70.9	-15	-176.3	53.4	-107.1	0	0	0	114.1	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.44Å; V52-W75 HydrophobicContact CB-CZ2 4.5Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 3.95Å; F57-W75 HydrophobicContact CD1-CH2 4.03Å; F57-W75 AromaticContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CZ3 4.08Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.98Å; W75-Q78 WeakPolarHBondContact O-CG 3.47Å; W75-Q78 PolarHBondContact O-NE2 2.75Å; W75-Y195 HydrophobicContact CE3-CD1 4.45Å; W75-Y195 HydrophobicContact CH2-CD2 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.16Å; W75-Y195 AromaticContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD2 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.64Å; W75-Y195 HydrophobicContact CZ3-CG 3.64Å; W75-N198 WeakPolarHBondContact CB-O 3.44Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å
76	I	97.9	Very high	97.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-88.2	-19.9	174	-163	71.3	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.93Å; 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 3.36Å; V58-I76 HydrophobicContact CG1-CG1 4.28Å; P71-I76 HydrophobicContact CB-CG2 3.66Å; A73-I76 WeakPolarHBondContact O-CG2 3.43Å; A73-I76 PolarHBondContact O-N 2.95Å; P74-I76 PolarHBondContact O-N 2.03Å; I76-Q78 PolarHBondContact O-N 2.85Å; I76-Q78 VanDerWaalsContact O-N 3.12Å; I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.28Å; I76-E79 WeakPolarHBondContact O-CG 3.12Å; I76-E79 PolarHBondContact O-N 2.89Å; I76-Y83 HydrophobicContact CD1-CE1 4.31Å; I76-Y83 HydrophobicContact CG1-CE1 4.32Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4.05Å; I76-W84 WeakPolarHBondContact O-CZ2 3.48Å; I76-Y195 HydrophobicContact CD1-CD1 3.84Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å
77	E	96.8	Very high	97.5	Very high	129 Å²	129	65.8 Å²	65.8	60%	0.603	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.4	-176.7	-64.9	-179	-176	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.8Å; P71-E77 HydrophobicContact CG-CG 4.07Å; P74-E77 WeakPolarHBondContact O-CB 3.19Å; P74-E77 PolarHBondContact O-N 3.06Å; E77-E79 PolarHBondContact O-N 2.72Å
78	Q	95.9	Very high	97.6	Very high	119 Å²	119	64.4 Å²	64.4	56%	0.556	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.5	175.8	70.2	-172.5	-33.7	0	0	113.9	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.47Å; W75-Q78 PolarHBondContact O-NE2 2.75Å; I76-Q78 PolarHBondContact O-N 2.85Å; I76-Q78 VanDerWaalsContact O-N 3.12Å; Q78-N198 PolarHBondContact NE2-ND2 2.73Å; Q78-N198 PolarHBondContact NE2-OD1 2.84Å
79	E	97.6	Very high	97.6	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.056	32%	0.319	C	S	.	.	S	Bend	trans	-65	137.5	176.6	-66.9	-59.7	158.5	0	0	111.1	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.28Å; I76-E79 WeakPolarHBondContact O-CG 3.12Å; I76-E79 PolarHBondContact O-N 2.89Å; E77-E79 PolarHBondContact O-N 2.72Å; E79-Y83 HydrophobicContact CB-CD1 3.72Å; E79-Y83 HydrophobicContact CB-CD2 4.49Å; E79-Y83 HydrophobicContact CB-CE1 4.37Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.4Å; E79-Y83 HydrophobicContact CG-CE1 4.45Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 HydrophobicContact CB-CZ2 4.45Å; E79-W84 PolarHBondContact O-NE1 2.93Å; E79-R194 IonicContact OE1-CZ 3.13Å; E79-R194 IonicContact OE1-NE 3.1Å; E79-R194 PolarHBondContact OE1-NE 3.42Å; E79-R194 IonicContact OE1-NH2 3.71Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 2.69Å; E79-R194 IonicContact OE2-NE 3.48Å; E79-R194 IonicContact OE2-NH2 2.76Å; E79-R194 PolarHBondContact OE2-NH2 3.34Å; E79-N198 PolarHBondContact OE1-ND2 3.06Å
80	G	97	Very high	97.6	Very high	36 Å²	36	66.5 Å²	66.5	37%	0.371	34%	0.335	S	S	.	.			trans	-70.4	167.4	-175.5	0	0	0	0	0	113.7	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.9Å; G80-E82 VanDerWaalsContact O-N 3.14Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 3.16Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å
81	P	97.5	Very high	97.6	Very high	95 Å²	95	63 Å²	63	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-57.5	-32.1	-178.6	23.2	-33.9	0	0	0	113.5	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.83Å; P81-W84 PolarHBondContact O-N 3.3Å; P81-D85 WeakPolarHBondContact O-CB 3.34Å; P81-D85 PolarHBondContact O-N 2.81Å
82	E	97.8	Very high	97.5	Very high	167 Å²	167	64.9 Å²	64.9	78%	0.78	32%	0.322	S	S	*	.	H	α-helix	trans	-60.7	-35.7	177.6	-63.6	-179.5	-178.4	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 2.9Å; G80-E82 VanDerWaalsContact O-N 3.14Å; E82-R86 WeakPolarHBondContact O-CB 3.21Å; E82-R86 PolarHBondContact O-N 2.83Å
83	Y	97.9	Very high	97.6	Very high	10 Å²	10	63.1 Å²	63.1	4%	0.039	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-53	175.5	172	-90.9	0	0	0	110.4	I76 E79 G80 P81 D85 R86 N87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.31Å; I76-Y83 HydrophobicContact CG1-CE1 4.32Å; E79-Y83 HydrophobicContact CB-CD1 3.72Å; E79-Y83 HydrophobicContact CB-CD2 4.49Å; E79-Y83 HydrophobicContact CB-CE1 4.37Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.19Å; E79-Y83 HydrophobicContact CG-CD2 4.4Å; E79-Y83 HydrophobicContact CG-CE1 4.45Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 3.16Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.83Å; Y83-D85 PolarHBondContact O-N 2.8Å; Y83-R86 PolarHBondContact O-N 2.79Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.33Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.48Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.19Å; Y83-N87 WeakPolarHBondContact O-CB 3.3Å; Y83-N87 PolarHBondContact O-N 2.82Å; Y83-N87 PolarHBondContact OH-ND2 3.3Å; Y83-W191 AromaticContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CH2 3.46Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CZ2 4.18Å; Y83-W191 AromaticContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CE3 4.14Å; Y83-W191 AromaticContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CZ2 4.47Å; Y83-W191 AromaticContact CE2-CZ3 3.65Å; Y83-W191 HydrophobicContact CE2-CZ3 3.65Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3.38Å
84	W	98.4	Very high	97.6	Very high	41 Å²	41	64.7 Å²	64.7	16%	0.155	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-42.6	-177.5	-62.1	111.4	0	0	0	112.6	V58 E69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.17Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å; E69-W84 HydrophobicContact CB-CE3 4.21Å; E69-W84 HydrophobicContact CB-CZ3 4.46Å; E69-W84 HydrophobicContact CG-CE3 4.21Å; E69-W84 HydrophobicContact CG-CZ3 4Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.06Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.44Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4.05Å; I76-W84 WeakPolarHBondContact O-CZ2 3.48Å; E79-W84 HydrophobicContact CB-CZ2 4.45Å; E79-W84 PolarHBondContact O-NE1 2.93Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; P81-W84 PolarHBondContact O-N 3.3Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 3.16Å; W84-T88 PolarHBondContact O-OG1 2.89Å
85	D	98.2	Very high	97.6	Very high	95 Å²	95	60.3 Å²	60.3	51%	0.508	30%	0.303	S	S	.	.	H	α-helix	trans	-67.4	-44.2	179.1	-75.8	-21.8	0	0	0	111.2	P81 Y83 Q89	P81-D85 WeakPolarHBondContact O-CB 3.34Å; P81-D85 PolarHBondContact O-N 2.81Å; Y83-D85 PolarHBondContact O-N 2.8Å; D85-Q89 WeakPolarHBondContact O-CB 3.31Å; D85-Q89 PolarHBondContact O-N 2.92Å
86	R	97.9	Very high	97.7	Very high	124 Å²	124	63.5 Å²	63.5	47%	0.468	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-51.7	177.8	-177	-176.1	69.8	-173.1	-0.6	111.3	E82 Y83 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.21Å; E82-R86 PolarHBondContact O-N 2.83Å; Y83-R86 PolarHBondContact O-N 2.79Å; R86-Q89 WeakPolarHBondContact O-CB 3.47Å; R86-Q89 PolarHBondContact O-N 3.41Å; R86-I90 HydrophobicContact CG-CD1 4.27Å; R86-I90 WeakPolarHBondContact O-CG1 3.46Å; R86-I90 PolarHBondContact O-N 3.48Å
87	N	97.8	Very high	97.7	Very high	15 Å²	15	66.3 Å²	66.3	8%	0.08	34%	0.336	C	S	.	.	H	α-helix	trans	-70	-36.8	-177.2	-69.1	-8.9	0	0	0	112.3	E69 Y83 Q89 I90 F91	E69-N87 WeakPolarHBondContact OE2-CB 3.34Å; E69-N87 PolarHBondContact OE2-ND2 3.43Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.33Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.48Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.19Å; Y83-N87 WeakPolarHBondContact O-CB 3.3Å; Y83-N87 PolarHBondContact O-N 2.82Å; Y83-N87 PolarHBondContact OH-ND2 3.3Å; N87-Q89 PolarHBondContact O-N 2.79Å; N87-I90 WeakPolarHBondContact O-CB 3.34Å; N87-I90 PolarHBondContact O-N 3.25Å; N87-I90 VanDerWaalsContact O-N 3.12Å; N87-F91 HydrophobicContact CB-CE2 4.32Å; N87-F91 WeakPolarHBondContact O-CD2 3.36Å; N87-F91 PolarHBondContact O-N 3.19Å
88	T	98.4	Very high	97.8	Very high	8 Å²	8	60.6 Å²	60.6	5%	0.049	31%	0.309	C	S	.	.	H	α-helix	trans	-55.4	-42.6	170.4	-69.5	0	0	0	0	111	R68 E69 W84 F91 K92	R68-T88 HydrophobicContact CB-CG2 4.33Å; R68-T88 HydrophobicContact CG-CG2 4.15Å; E69-T88 PolarHBondContact N-OG1 3.1Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 3.16Å; W84-T88 PolarHBondContact O-OG1 2.89Å; T88-F91 PolarHBondContact O-N 3.4Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CB 3.48Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.5Å; T88-K92 PolarHBondContact O-N 2.79Å
89	Q	98.3	Very high	97.8	Very high	115 Å²	115	57.1 Å²	57.1	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-69.1	-36.4	178.1	-171.1	57.5	29	0	0	112.4	D85 R86 N87 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.31Å; D85-Q89 PolarHBondContact O-N 2.92Å; R86-Q89 WeakPolarHBondContact O-CB 3.47Å; R86-Q89 PolarHBondContact O-N 3.41Å; N87-Q89 PolarHBondContact O-N 2.79Å; Q89-K92 PolarHBondContact O-N 2.99Å; Q89-T93 WeakPolarHBondContact O-CB 3.32Å; Q89-T93 PolarHBondContact O-N 2.95Å; Q89-T93 PolarHBondContact O-OG1 3.3Å
90	I	97.6	Very high	97.8	Very high	73 Å²	73	62.3 Å²	62.3	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-58.5	-53.2	171.8	-68.9	167.9	0	0	0	109.8	R86 N87 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.27Å; R86-I90 WeakPolarHBondContact O-CG1 3.46Å; R86-I90 PolarHBondContact O-N 3.48Å; N87-I90 WeakPolarHBondContact O-CB 3.34Å; N87-I90 PolarHBondContact O-N 3.25Å; N87-I90 VanDerWaalsContact O-N 3.12Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 2.98Å; I90-T93 CarbonylContact O-C 3.59Å; I90-T93 WeakPolarHBondContact O-CA 3.33Å; I90-T93 WeakPolarHBondContact O-CB 3.47Å; I90-T93 PolarHBondContact O-N 2.95Å; I90-N94 PolarHBondContact O-N 3.02Å; I90-N94 PolarHBondContact O-OD1 2.83Å
91	F	98	Very high	97.9	Very high	5 Å²	5	63.2 Å²	63.2	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-31.2	-178.7	-66.7	-56.4	0	0	0	113.9	Y31 F46 S48 F60 E69 N87 T88 T93 N94 T95	Y31-F91 HydrophobicContact CD1-CZ 4.22Å; Y31-F91 HydrophobicContact CE1-CZ 4.08Å; F46-F91 HydrophobicContact CE1-CB 4.32Å; F46-F91 HydrophobicContact CE1-CD1 4.08Å; F46-F91 HydrophobicContact CZ-CD1 4.4Å; S48-F91 WeakPolarHBondContact OG-CE1 3.4Å; F60-F91 HydrophobicContact CB-CB 4.12Å; F60-F91 HydrophobicContact CB-CD2 3.92Å; F60-F91 HydrophobicContact CB-CG 3.97Å; F60-F91 HydrophobicContact CD1-CB 3.78Å; F60-F91 HydrophobicContact CD1-CG 4.45Å; F60-F91 HydrophobicContact CD2-CB 3.58Å; F60-F91 HydrophobicContact CD2-CD2 4.21Å; F60-F91 HydrophobicContact CD2-CG 4.21Å; F60-F91 HydrophobicContact CE1-CB 4.04Å; F60-F91 HydrophobicContact CE2-CB 3.85Å; F60-F91 HydrophobicContact CG-CB 3.55Å; F60-F91 HydrophobicContact CG-CD2 4.19Å; F60-F91 AromaticContact CG-CG 3.97Å; F60-F91 HydrophobicContact CG-CG 3.97Å; F60-F91 HydrophobicContact CZ-CB 4.07Å; E69-F91 HydrophobicContact CB-CD2 4.24Å; E69-F91 HydrophobicContact CB-CE2 4.32Å; E69-F91 HydrophobicContact CG-CD2 4.37Å; E69-F91 HydrophobicContact CG-CE2 3.97Å; E69-F91 WeakPolarHBondContact OE1-CE2 3.32Å; N87-F91 HydrophobicContact CB-CE2 4.32Å; N87-F91 WeakPolarHBondContact O-CD2 3.36Å; N87-F91 PolarHBondContact O-N 3.19Å; T88-F91 PolarHBondContact O-N 3.4Å; F91-T93 VanDerWaalsContact C-N 3.32Å; F91-N94 PolarHBondContact O-N 2.88Å; F91-T95 WeakPolarHBondContact O-CB 3.46Å; F91-T95 PolarHBondContact O-N 3.11Å; F91-T95 PolarHBondContact O-OG1 2.69Å
92	K	97.9	Very high	97.9	Very high	86 Å²	86	59 Å²	59	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-38.2	169.8	-77.3	176.8	178.8	176.7	0	112.1	F60 P67 T88 Q89 I90 T95	F60-K92 HydrophobicContact CE2-CG 4.33Å; F60-K92 HydrophobicContact CZ-CG 4.14Å; P67-K92 WeakPolarHBondContact O-CE 3.5Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CB 3.48Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.5Å; T88-K92 PolarHBondContact O-N 2.79Å; Q89-K92 PolarHBondContact O-N 2.99Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 2.98Å; K92-T95 WeakPolarHBondContact O-CB 3.19Å
93	T	98	Very high	97.9	Very high	70 Å²	70	57.2 Å²	57.2	43%	0.429	27%	0.269	S	S	.	.	H	α-helix	trans	-67.6	-48.5	175.2	-54.1	0	0	0	0	110.1	Q89 I90 F91 T95 Q96 T97	Q89-T93 WeakPolarHBondContact O-CB 3.32Å; Q89-T93 PolarHBondContact O-N 2.95Å; Q89-T93 PolarHBondContact O-OG1 3.3Å; I90-T93 CarbonylContact O-C 3.59Å; I90-T93 WeakPolarHBondContact O-CA 3.33Å; I90-T93 WeakPolarHBondContact O-CB 3.47Å; I90-T93 PolarHBondContact O-N 2.95Å; F91-T93 VanDerWaalsContact C-N 3.32Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.05Å; T93-Q96 WeakPolarHBondContact O-CA 3.12Å; T93-Q96 WeakPolarHBondContact O-CB 3.31Å; T93-Q96 PolarHBondContact O-N 3.07Å; T93-T97 PolarHBondContact O-N 2.76Å; T93-T97 PolarHBondContact O-OG1 3.31Å
94	N	97.1	Very high	97.9	Very high	36 Å²	36	59.4 Å²	59.4	19%	0.193	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-38.7	176	-69.3	10.6	0	0	0	111.8	F46 I90 F91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.35Å; F46-N94 HydrophobicContact CE2-CB 4.21Å; F46-N94 HydrophobicContact CZ-CB 3.79Å; I90-N94 PolarHBondContact O-N 3.02Å; I90-N94 PolarHBondContact O-OD1 2.83Å; F91-N94 PolarHBondContact O-N 2.88Å; N94-Q96 PolarHBondContact O-N 3.33Å; N94-T97 PolarHBondContact O-N 2.89Å; N94-T97 VanDerWaalsContact O-N 3.13Å; N94-Y98 HydrophobicContact CB-CD2 4.38Å; N94-Y98 HydrophobicContact CB-CE2 4.45Å; N94-Y98 VanDerWaalsContact O-CD2 3.23Å; N94-Y98 WeakPolarHBondContact O-CD2 3.41Å; N94-Y98 PolarHBondContact O-N 2.66Å
95	T	97.8	Very high	97.9	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.086	28%	0.278	C	S	.	.	H	α-helix	trans	-56	-36.9	175	-60.3	0	0	0	0	112.1	F46 F91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.95Å; F46-T95 VanDerWaalsContact CD1-OG1 3.27Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.33Å; F91-T95 WeakPolarHBondContact O-CB 3.46Å; F91-T95 PolarHBondContact O-N 3.11Å; F91-T95 PolarHBondContact O-OG1 2.69Å; K92-T95 WeakPolarHBondContact O-CB 3.19Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 3.05Å; T95-R99 WeakPolarHBondContact O-CB 3.21Å; T95-R99 PolarHBondContact O-N 3.26Å
96	Q	97.8	Very high	97.8	Very high	84 Å²	84	56.2 Å²	56.2	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-75.6	-43.9	175.2	-58.6	-50.3	-52.8	0	0	111.7	T93 N94 Y98 R99 E100	T93-Q96 WeakPolarHBondContact O-CA 3.12Å; T93-Q96 WeakPolarHBondContact O-CB 3.31Å; T93-Q96 PolarHBondContact O-N 3.07Å; N94-Q96 PolarHBondContact O-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.13Å; Q96-R99 WeakPolarHBondContact O-CB 3.22Å; Q96-R99 PolarHBondContact O-N 3.13Å; Q96-R99 VanDerWaalsContact O-N 3.17Å; Q96-E100 PolarHBondContact O-N 2.64Å
97	T	97.8	Very high	97.8	Very high	58 Å²	58	52.4 Å²	52.4	36%	0.356	26%	0.264	S	S	.	.	H	α-helix	trans	-56.5	-50.3	177	-56.1	0	0	0	0	111.5	T93 N94 R99 E100 D101	T93-T97 PolarHBondContact O-N 2.76Å; T93-T97 PolarHBondContact O-OG1 3.31Å; N94-T97 PolarHBondContact O-N 2.89Å; N94-T97 VanDerWaalsContact O-N 3.13Å; T97-R99 VanDerWaalsContact C-N 3.25Å; T97-R99 PolarHBondContact O-N 3.05Å; T97-E100 PolarHBondContact O-N 3.16Å; T97-D101 VanDerWaalsContact O-CG 3.3Å; T97-D101 PolarHBondContact O-N 3.44Å
98	Y	98.1	Very high	97.8	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-30.3	179.9	-83	-113.6	0	0	0	112.5	D33 A35 F46 N94 Q96 L102 L119 S121	D33-Y98 HydrophobicContact CB-CE1 4.13Å; A35-Y98 HydrophobicContact CB-CD1 3.57Å; A35-Y98 HydrophobicContact CB-CG 4Å; F46-Y98 HydrophobicContact CD2-CD1 4.26Å; F46-Y98 HydrophobicContact CD2-CD2 4.27Å; F46-Y98 AromaticContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CE2-CD1 4.1Å; F46-Y98 AromaticContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CD2 3.76Å; F46-Y98 HydrophobicContact CE2-CE1 4.29Å; F46-Y98 AromaticContact CE2-CE2 3.98Å; F46-Y98 HydrophobicContact CE2-CE2 3.98Å; F46-Y98 AromaticContact CE2-CG 3.83Å; F46-Y98 HydrophobicContact CE2-CG 3.83Å; N94-Y98 HydrophobicContact CB-CD2 4.38Å; N94-Y98 HydrophobicContact CB-CE2 4.45Å; N94-Y98 VanDerWaalsContact O-CD2 3.23Å; N94-Y98 WeakPolarHBondContact O-CD2 3.41Å; N94-Y98 PolarHBondContact O-N 2.66Å; Q96-Y98 PolarHBondContact O-N 3.13Å; Y98-L102 WeakPolarHBondContact O-CB 3.41Å; Y98-L102 WeakPolarHBondContact O-CG 3.21Å; Y98-L102 PolarHBondContact O-N 2.83Å; Y98-L119 HydrophobicContact CD1-CB 4.31Å; Y98-L119 HydrophobicContact CD1-CD2 3.64Å; Y98-L119 HydrophobicContact CD1-CG 3.82Å; Y98-L119 HydrophobicContact CE1-CD2 4.05Å; Y98-L119 HydrophobicContact CE1-CG 3.94Å; Y98-L119 HydrophobicContact CG-CD2 4.25Å; Y98-S121 WeakPolarHBondContact OH-CB 3.4Å; Y98-S121 PolarHBondContact OH-OG 3.41Å
99	R	97.5	Very high	97.8	Very high	47 Å²	47	57 Å²	57	18%	0.177	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-42.6	173.8	175.6	-170.3	-60	-179.5	-7.8	111.2	E43 P44 T95 Q96 T97 R103	E43-R99 VanDerWaalsContact CB-NH2 3.34Å; E43-R99 WeakPolarHBondContact OE2-CD 3.32Å; E43-R99 IonicContact OE2-CZ 3.19Å; E43-R99 IonicContact OE2-NE 3.74Å; E43-R99 PolarHBondContact OE2-NE 2.83Å; E43-R99 IonicContact OE2-NH1 3.8Å; E43-R99 IonicContact OE2-NH2 2.78Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.17Å; T95-R99 WeakPolarHBondContact O-CB 3.21Å; T95-R99 PolarHBondContact O-N 3.26Å; Q96-R99 WeakPolarHBondContact O-CB 3.22Å; Q96-R99 PolarHBondContact O-N 3.13Å; Q96-R99 VanDerWaalsContact O-N 3.17Å; T97-R99 VanDerWaalsContact C-N 3.25Å; T97-R99 PolarHBondContact O-N 3.05Å; R99-R103 WeakPolarHBondContact O-CG 3.47Å; R99-R103 PolarHBondContact O-N 2.86Å
100	E	97.7	Very high	97.8	Very high	121 Å²	121	58.9 Å²	58.9	57%	0.565	29%	0.294	S	S	*	.	H	α-helix	trans	-68.8	-40.4	175.6	-68.7	-179.6	179.1	0	0	111.6	Q96 T97 R103 T104	Q96-E100 PolarHBondContact O-N 2.64Å; T97-E100 PolarHBondContact O-N 3.16Å; E100-R103 WeakPolarHBondContact O-CB 3.41Å; E100-R103 PolarHBondContact O-N 3.21Å; E100-T104 WeakPolarHBondContact O-CB 3.43Å; E100-T104 PolarHBondContact O-N 3.45Å; E100-T104 PolarHBondContact O-OG1 2.89Å
101	D	98.1	Very high	97.7	Very high	55 Å²	55	58.2 Å²	58.2	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-44.3	177.2	-69.3	-24.6	0	0	0	111.4	T97 R103 T104 L105 L119	T97-D101 VanDerWaalsContact O-CG 3.3Å; T97-D101 PolarHBondContact O-N 3.44Å; D101-R103 VanDerWaalsContact C-N 3.27Å; D101-R103 PolarHBondContact O-N 3.03Å; D101-T104 WeakPolarHBondContact O-CB 3.31Å; D101-T104 PolarHBondContact O-N 3.03Å; D101-T104 VanDerWaalsContact O-N 3.09Å; D101-L105 WeakPolarHBondContact O-CB 3.46Å; D101-L105 VanDerWaalsContact O-CG 3.24Å; D101-L105 WeakPolarHBondContact O-CG 3.47Å; D101-L105 PolarHBondContact O-N 2.96Å; D101-L119 HydrophobicContact CB-CD2 3.57Å
102	L	98.3	Very high	97.6	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-39.5	174.1	-78.6	169.3	0	0	0	112.2	A35 P44 Y98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.81Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.94Å; Y98-L102 WeakPolarHBondContact O-CB 3.41Å; Y98-L102 WeakPolarHBondContact O-CG 3.21Å; Y98-L102 PolarHBondContact O-N 2.83Å; L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.46Å; L102-R106 VanDerWaalsContact O-N 3.14Å; L102-H117 HydrophobicContact CD2-CB 4.23Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L102-Y142 HydrophobicContact CD2-CE2 4.04Å
103	R	97.1	Very high	97.4	Very high	128 Å²	128	64.1 Å²	64.1	48%	0.483	33%	0.327	S	S	.	.	H	α-helix	trans	-68.1	-40.8	175.6	-69	172.8	-174	168.3	2.5	111.5	E43 R99 E100 D101 G107	E43-R103 IonicContact OE1-NH2 3.92Å; E43-R103 IonicContact OE2-NH2 3.06Å; R99-R103 WeakPolarHBondContact O-CG 3.47Å; R99-R103 PolarHBondContact O-N 2.86Å; E100-R103 WeakPolarHBondContact O-CB 3.41Å; E100-R103 PolarHBondContact O-N 3.21Å; D101-R103 VanDerWaalsContact C-N 3.27Å; D101-R103 PolarHBondContact O-N 3.03Å; R103-G107 PolarHBondContact O-N 3.26Å
104	T	97.9	Very high	97.1	Very high	56 Å²	56	64.7 Å²	64.7	34%	0.344	34%	0.34	S	S	.	.	H	α-helix	trans	-66	-48.9	179.7	-61.9	0	0	0	0	111.5	E100 D101 G107 Y108	E100-T104 WeakPolarHBondContact O-CB 3.43Å; E100-T104 PolarHBondContact O-N 3.45Å; E100-T104 PolarHBondContact O-OG1 2.89Å; D101-T104 WeakPolarHBondContact O-CB 3.31Å; D101-T104 PolarHBondContact O-N 3.03Å; D101-T104 VanDerWaalsContact O-N 3.09Å; T104-G107 CarbonylContact O-C 3.58Å; T104-G107 WeakPolarHBondContact O-CA 3.24Å; T104-G107 PolarHBondContact O-N 3.14Å; T104-Y108 HydrophobicContact CG2-CD1 4.32Å; T104-Y108 HydrophobicContact CG2-CD2 4.33Å; T104-Y108 HydrophobicContact CG2-CE1 3.71Å; T104-Y108 HydrophobicContact CG2-CE2 3.72Å; T104-Y108 WeakPolarHBondContact CG2-OH 3.43Å; T104-Y108 PolarHBondContact O-N 2.74Å
105	L	98.2	Very high	96.9	Very high	7 Å²	7	64.2 Å²	64.2	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-46.6	178.9	-70.2	167.5	0	0	0	111.2	D101 G107 Y108 Y109 L119 Y142 Y147	D101-L105 WeakPolarHBondContact O-CB 3.46Å; D101-L105 VanDerWaalsContact O-CG 3.24Å; D101-L105 WeakPolarHBondContact O-CG 3.47Å; D101-L105 PolarHBondContact O-N 2.96Å; L105-G107 PolarHBondContact O-N 2.97Å; L105-Y108 HydrophobicContact CD2-CD2 4.47Å; L105-Y108 PolarHBondContact O-N 2.94Å; L105-Y109 HydrophobicContact CD2-CE2 4.36Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 3.37Å; L105-L119 HydrophobicContact CD1-CD1 3.78Å; L105-L119 HydrophobicContact CD1-CD2 4.01Å; L105-L119 HydrophobicContact CD1-CG 4.34Å; L105-Y142 HydrophobicContact CB-CD1 4.48Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.15Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.55Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.08Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.4Å; L105-Y147 HydrophobicContact CD2-CD2 4.18Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.49Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.06Å
106	R	97.4	Very high	96.9	Very high	62 Å²	62	67.5 Å²	67.5	23%	0.234	37%	0.367	C	S	.	.	H	α-helix	trans	-52.7	-41.4	172.9	-174.1	-172.6	66.8	176.9	10.7	111.8	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.46Å; L102-R106 VanDerWaalsContact O-N 3.14Å; R106-N110 PolarHBondContact O-N 2.71Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.33Å; R106-Q111 PolarHBondContact O-N 2.65Å; R106-E113 IonicContact CZ-OE1 3.51Å; R106-E113 IonicContact NH1-OE1 2.75Å; R106-E113 IonicContact NH2-OE1 3.42Å; R106-E113 PolarHBondContact NH2-OE1 3.28Å
107	G	97.4	Very high	96.9	Very high	44 Å²	44	64.2 Å²	64.2	45%	0.454	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-47.9	174.8	0	0	0	0	0	113.2	R103 T104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.26Å; T104-G107 CarbonylContact O-C 3.58Å; T104-G107 WeakPolarHBondContact O-CA 3.24Å; T104-G107 PolarHBondContact O-N 3.14Å; L105-G107 PolarHBondContact O-N 2.97Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.44Å; G107-N110 PolarHBondContact O-N 3.13Å; G107-N110 VanDerWaalsContact O-N 3.1Å
108	Y	98.1	Very high	96.9	Very high	54 Å²	54	63.3 Å²	63.3	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-59.2	-37.5	178.5	-66.8	-11.7	0	0	0	112.8	T104 L105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.32Å; T104-Y108 HydrophobicContact CG2-CD2 4.33Å; T104-Y108 HydrophobicContact CG2-CE1 3.71Å; T104-Y108 HydrophobicContact CG2-CE2 3.72Å; T104-Y108 WeakPolarHBondContact CG2-OH 3.43Å; T104-Y108 PolarHBondContact O-N 2.74Å; L105-Y108 HydrophobicContact CD2-CD2 4.47Å; L105-Y108 PolarHBondContact O-N 2.94Å; Y108-A163 HydrophobicContact CD2-CB 4.46Å; Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CD2-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.17Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.24Å; Y108-K170 WeakPolarHBondContact OH-CE 3.45Å; Y108-K170 PolarHBondContact OH-NZ 2.83Å
109	Y	98	Very high	96.9	Very high	67 Å²	67	63 Å²	63	26%	0.263	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.9	179.2	-69.4	-71.4	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.36Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 3.37Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.44Å; Y109-Q111 PolarHBondContact O-N 3.23Å; Y109-Y142 AromaticContact CD2-CD1 3.77Å; Y109-Y142 HydrophobicContact CD2-CD1 3.77Å; 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 3.89Å; Y109-Y142 HydrophobicContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Y109-Y147 HydrophobicContact CE2-CD2 4.42Å; Y109-Y147 HydrophobicContact CE2-CE2 4.14Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.36Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.36Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.35Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.92Å; Y109-D161 PolarHBondContact OH-OD2 3.07Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	97.1	Very high	97	Very high	153 Å²	153	64.4 Å²	64.4	82%	0.818	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.5	-177.3	-57.4	-63	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 2.71Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.13Å; G107-N110 VanDerWaalsContact O-N 3.1Å
111	Q	97.3	Very high	97.1	Very high	59 Å²	59	59 Å²	59	28%	0.276	33%	0.328	S	S	.	.			trans	-86.3	152.3	-176.4	-70.7	169.3	-33.1	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.33Å; R106-Q111 PolarHBondContact O-N 2.65Å; Y109-Q111 PolarHBondContact O-N 3.23Å; Q111-H117 PolarHBondContact NE2-CE1 2.89Å; Q111-H117 PolarHBondContact OE1-CE1 2.89Å; Q111-H117 PolarHBondContact OE1-ND1 2.78Å; Q111-Y142 PolarHBondContact OE1-OH 2.96Å; Q111-D143 PolarHBondContact NE2-OD2 3.31Å
112	S	95.4	Very high	97.1	Very high	81 Å²	81	57.3 Å²	57.3	57%	0.566	32%	0.319	S	S	*	.			trans	-69.2	146.6	179.4	176.4	0	0	0	0	112.4	A114 G115	S112-A114 PolarHBondContact O-N 3.03Å; S112-A114 PolarHBondContact OG-N 3.28Å; S112-G115 PolarHBondContact O-N 3.35Å
113	E	92.6	Very high	97.1	Very high	134 Å²	134	58.9 Å²	58.9	63%	0.626	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.5	175.2	-55.1	-153.8	126.4	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.35Å; P39-E113 VanDerWaalsContact CG-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; R106-E113 IonicContact CZ-OE1 3.51Å; R106-E113 IonicContact NH1-OE1 2.75Å; R106-E113 IonicContact NH2-OE1 3.42Å; R106-E113 PolarHBondContact NH2-OE1 3.28Å; E113-G115 VanDerWaalsContact C-N 3.26Å
114	A	92.7	Very high	97.2	Very high	83 Å²	83	52.8 Å²	52.8	69%	0.686	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-12	177.4	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 3.03Å; S112-A114 PolarHBondContact OG-N 3.28Å
115	G	92.9	Very high	97.2	Very high	25 Å²	25	50.1 Å²	50.1	26%	0.258	29%	0.285	S	S	.	.			trans	-75.7	134.7	-179.8	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.45Å; S112-G115 PolarHBondContact O-N 3.35Å; E113-G115 VanDerWaalsContact C-N 3.26Å; G115-H117 PolarHBondContact O-CD2 3.48Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å
116	S	96.6	Very high	97.2	Very high	84 Å²	84	51.1 Å²	51.1	59%	0.587	29%	0.291	S	S	*	.			trans	-82.3	132.1	166.3	-168.9	0	0	0	0	108.6	S37	S37-S116 PolarHBondContact O-OG 3.33Å
117	H	98.3	Very high	97.2	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.069	28%	0.28	C	S	.	.			trans	-132.3	151	-176	-64.5	-70.3	0	0	0	110.6	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.06Å; S37-H117 PolarHBondContact OG-N 3.04Å; S37-H117 PolarHBondContact OG-O 3.3Å; L102-H117 HydrophobicContact CD2-CB 4.23Å; Q111-H117 PolarHBondContact NE2-CE1 2.89Å; Q111-H117 PolarHBondContact OE1-CE1 2.89Å; Q111-H117 PolarHBondContact OE1-ND1 2.78Å; G115-H117 PolarHBondContact O-CD2 3.48Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.41Å; H117-D143 WeakPolarHBondContact CA-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 3.61Å; H117-D143 IonicContact CG-OD1 3.8Å; H117-D143 IonicContact CG-OD2 3.63Å; H117-D143 IonicContact ND1-OD1 2.79Å; H117-D143 PolarHBondContact ND1-OD1 2.69Å; H117-D143 IonicContact ND1-OD2 3.37Å; H117-D143 PolarHBondContact ND1-OD2 3Å
118	T	98.6	Very high	97.1	Very high	39 Å²	39	46.3 Å²	46.3	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.4	-178.6	-50.5	0	0	0	0	110.2	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.94Å; A35-T118 CarbonylContact O-C 3.55Å; A35-T118 WeakPolarHBondContact O-CA 3.45Å; M36-T118 HydrophobicContact CG-CG2 4.01Å; T118-Q120 HydrophobicContact CG2-CG 3.88Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.38Å; T118-Y142 WeakPolarHBondContact O-CD2 3.39Å; T118-D143 PolarHBondContact N-OD1 3.43Å; T118-D143 PolarHBondContact O-N 3.43Å
119	L	98.8	Very high	96.8	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.2	169.7	175.9	60.4	0	0	0	108.1	T34 A35 Y98 D101 L102 L105 Y140 A141 Y142	T34-L119 WeakPolarHBondContact CA-O 3.11Å; A35-L119 PolarHBondContact N-O 3.21Å; A35-L119 PolarHBondContact O-N 2.78Å; Y98-L119 HydrophobicContact CD1-CB 4.31Å; Y98-L119 HydrophobicContact CD1-CD2 3.64Å; Y98-L119 HydrophobicContact CD1-CG 3.82Å; Y98-L119 HydrophobicContact CE1-CD2 4.05Å; Y98-L119 HydrophobicContact CE1-CG 3.94Å; Y98-L119 HydrophobicContact CG-CD2 4.25Å; D101-L119 HydrophobicContact CB-CD2 3.57Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.13Å; L105-L119 HydrophobicContact CD1-CD1 3.78Å; L105-L119 HydrophobicContact CD1-CD2 4.01Å; L105-L119 HydrophobicContact CD1-CG 4.34Å; L119-Y140 HydrophobicContact CD1-CD1 4.36Å; L119-A141 WeakPolarHBondContact CD1-O 3.35Å; L119-Y142 HydrophobicContact CB-CD2 4.49Å
120	Q	98.8	Very high	96.5	Very high	76 Å²	76	50.1 Å²	50.1	36%	0.355	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.8	178.9	-59	177.1	-92	0	0	109.4	D33 T34 T118 Y140 A141	D33-Q120 CarbonylContact O-C 3.59Å; D33-Q120 VanDerWaalsContact O-CA 3.27Å; D33-Q120 WeakPolarHBondContact O-CA 3.36Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å; T118-Q120 HydrophobicContact CG2-CG 3.88Å; Q120-Y140 CarbonylContact O-C 3.56Å; Q120-Y140 VanDerWaalsContact O-CA 3.26Å; Q120-Y140 WeakPolarHBondContact O-CA 3.37Å; Q120-A141 HydrophobicContact CB-CB 4.42Å; Q120-A141 PolarHBondContact N-O 3.32Å; Q120-A141 PolarHBondContact O-N 2.93Å
121	S	98.5	Very high	96.3	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.4	165.3	69.3	0	0	0	0	111.4	F32 D33 Y98 Q139	F32-S121 WeakPolarHBondContact CA-O 3.38Å; D33-S121 WeakPolarHBondContact CB-OG 3.03Å; D33-S121 PolarHBondContact N-O 3.5Å; D33-S121 PolarHBondContact O-N 2.99Å; Y98-S121 WeakPolarHBondContact OH-CB 3.4Å; Y98-S121 PolarHBondContact OH-OG 3.41Å; S121-Q139 CarbonylContact C-O 3.59Å; S121-Q139 WeakPolarHBondContact CA-O 3.45Å; S121-Q139 WeakPolarHBondContact CB-O 3.44Å
122	M	98.6	Very high	96.2	Very high	21 Å²	21	48.8 Å²	48.8	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.5	167.5	-176.6	-79.3	-69.9	0	0	108	Y31 F32 H137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.39Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.12Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.04Å; M122-H137 HydrophobicContact CE-CB 3.9Å; M122-H137 HydrophobicContact SD-CB 3.93Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 3.98Å; M122-Q139 PolarHBondContact N-O 2.94Å; M122-Q139 PolarHBondContact O-N 2.95Å
123	Y	98.7	Very high	96.3	Very high	39 Å²	39	47.3 Å²	47.3	15%	0.153	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.2	173.8	65.1	-88	0	0	0	110.8	R30 Y31 H137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.31Å; Y31-Y123 HydrophobicContact CD2-CD2 4.44Å; Y31-Y123 AromaticContact CD2-CE2 3.73Å; Y31-Y123 HydrophobicContact CD2-CE2 3.73Å; Y31-Y123 AromaticContact CG-CE2 3.92Å; Y31-Y123 HydrophobicContact CG-CE2 3.92Å; Y31-Y123 AromaticContact CG-CZ 3.79Å; Y31-Y123 PolarHBondContact N-O 2.86Å; Y31-Y123 PolarHBondContact O-N 3.06Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.36Å; Y123-H137 WeakPolarHBondContact CB-O 3.46Å; Y123-Y183 AromaticContact CD2-CE1 3.98Å; Y123-Y183 HydrophobicContact CD2-CE1 3.98Å; Y123-Y183 HydrophobicContact CE2-CE1 4.19Å
124	G	98.6	Very high	96.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-175.7	-178.4	0	0	0	0	0	114	M29 G136 H137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.26Å; G124-G136 CarbonylContact O-C 3.59Å; G124-H137 PolarHBondContact N-O 2.86Å; G124-H137 PolarHBondContact O-N 2.9Å; G124-L184 WeakPolarHBondContact O-CD2 3.25Å
125	C	98.6	Very high	96.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.5	-172.9	52.1	0	0	0	0	111.2	S28 M29 L133 R135 C188 V189	S28-C125 CarbonylContact C-O 3.55Å; S28-C125 VanDerWaalsContact CA-O 3.31Å; S28-C125 WeakPolarHBondContact CA-O 3.19Å; M29-C125 PolarHBondContact N-O 2.82Å; M29-C125 PolarHBondContact O-N 3.32Å; C125-L133 HydrophobicContact CB-CD1 3.6Å; C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.22Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.45Å; C125-C188 WeakPolarHBondContact SG-CB 3.16Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.41Å; C125-V189 HydrophobicContact CB-CG2 4.38Å
126	D	98.3	Very high	97	Very high	29 Å²	29	46.6 Å²	46.6	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.9	172.3	-52.9	-27.9	0	0	0	108.2	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.18Å; S28-D126 WeakPolarHBondContact CB-OD1 3.23Å; R30-D126 IonicContact CZ-OD1 3.8Å; R30-D126 IonicContact NE-OD1 3.01Å; R30-D126 PolarHBondContact NE-OD1 3.28Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.05Å; R30-D126 PolarHBondContact NH2-OD1 3.02Å; R30-D126 IonicContact NH2-OD2 2.83Å; R30-D126 PolarHBondContact NH2-OD2 2.78Å; R30-D126 VanDerWaalsContact NH2-OD2 3.13Å; D126-L134 HydrophobicContact CB-CB 4.45Å; D126-L134 PolarHBondContact O-N 2.79Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 2.83Å; D126-R135 PolarHBondContact O-N 3.02Å; D126-H137 IonicContact OD1-NE2 2.84Å; D126-H137 IonicContact OD2-CD2 2.71Å; D126-H137 IonicContact OD2-CE1 3.39Å; D126-H137 IonicContact OD2-NE2 3.72Å; D126-H137 PolarHBondContact OD2-NE2 2.92Å
127	V	97.6	Very high	97	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.9	178.9	-60.7	0	0	0	0	111	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.54Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.33Å; H27-V127 HydrophobicContact CB-CG2 4.04Å; H27-V127 PolarHBondContact N-O 3.4Å; H27-V127 PolarHBondContact O-N 2.74Å; V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.27Å; V127-V189 HydrophobicContact CG1-CB 4.43Å; V127-V189 HydrophobicContact CG1-CG1 4.02Å; V127-V189 HydrophobicContact CG1-CG2 3.98Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.59Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	95.1	Very high	97.1	Very high	4 Å²	4	43.2 Å²	43.2	4%	0.041	22%	0.216	C	C	.	.			trans	-79.8	-179.4	173.6	0	0	0	0	0	112.3	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.5Å; G128-D130 PolarHBondContact O-N 2.76Å; G128-D130 VanDerWaalsContact O-N 3.16Å; G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 2.83Å; G128-R132 PolarHBondContact N-O 2.8Å
129	P	92.1	Very high	97.1	Very high	106 Å²	106	44.9 Å²	44.9	69%	0.688	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.8	177.3	-23	32.6	0	0	0	114.1	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.45Å; G25-P129 WeakPolarHBondContact O-CA 3.42Å; G25-P129 WeakPolarHBondContact O-CG 3.42Å; P129-G131 PolarHBondContact O-N 2.85Å
130	D	91.9	Very high	97.1	Very high	94 Å²	94	46.9 Å²	46.9	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.8	173.7	70.6	-11.1	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.76Å; G128-D130 VanDerWaalsContact O-N 3.16Å; D130-R132 PolarHBondContact O-N 2.96Å; D130-R132 WeakPolarHBondContact OD1-CB 3.18Å; D130-R132 PolarHBondContact OD1-N 3.1Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 WeakPolarHBondContact OD2-CG 3.41Å; D130-R132 IonicContact OD2-CZ 3.53Å; D130-R132 IonicContact OD2-NE 2.67Å; D130-R132 PolarHBondContact OD2-NE 3.22Å; D130-R132 IonicContact OD2-NH1 3.79Å
131	G	92.1	Very high	97.1	Very high	12 Å²	12	44 Å²	44	12%	0.124	22%	0.218	C	C	.	.			trans	72	3.8	-177.4	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 2.83Å; P129-G131 PolarHBondContact O-N 2.85Å; G131-V189 WeakPolarHBondContact O-CG1 3.44Å; G131-R193 VanDerWaalsContact C-NH2 3.3Å; G131-R193 PolarHBondContact O-NE 3.22Å; G131-R193 PolarHBondContact O-NH2 3.13Å
132	R	95.4	Very high	97.1	Very high	172 Å²	172	44.2 Å²	44.2	65%	0.649	22%	0.218	S	C	*	.			trans	-79.2	148.8	-178.9	-64.5	-174.3	-176.6	160.7	-3	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.27Å; G128-R132 PolarHBondContact N-O 2.8Å; D130-R132 PolarHBondContact O-N 2.96Å; D130-R132 WeakPolarHBondContact OD1-CB 3.18Å; D130-R132 PolarHBondContact OD1-N 3.1Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 WeakPolarHBondContact OD2-CG 3.41Å; D130-R132 IonicContact OD2-CZ 3.53Å; D130-R132 IonicContact OD2-NE 2.67Å; D130-R132 PolarHBondContact OD2-NE 3.22Å; D130-R132 IonicContact OD2-NH1 3.79Å; R132-L134 PolarHBondContact O-N 2.71Å
133	L	97.4	Very high	97	Very high	50 Å²	50	46.1 Å²	46.1	26%	0.262	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	123.5	175.6	-174.7	72.1	0	0	0	110.1	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.6Å; L133-R135 WeakPolarHBondContact CD1-O 3.31Å; L133-L154 HydrophobicContact CD2-CD1 4.17Å; L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.69Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.82Å; L133-V189 HydrophobicContact CG-CG2 4.49Å
134	L	97.1	Very high	97	Very high	116 Å²	116	47 Å²	47	61%	0.607	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	-45.1	167.8	-63.8	178.5	0	0	0	110.5	D126 R132	D126-L134 HydrophobicContact CB-CB 4.45Å; D126-L134 PolarHBondContact O-N 2.79Å; R132-L134 PolarHBondContact O-N 2.71Å
135	R	96.9	Very high	97	Very high	106 Å²	106	54.6 Å²	54.6	40%	0.4	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	139.8	-175.4	-172.5	173.7	176.7	136.4	9.5	111.5	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.22Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 2.83Å; D126-R135 PolarHBondContact O-N 3.02Å; L133-R135 WeakPolarHBondContact CD1-O 3.31Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 3.39Å; R135-E152 IonicContact CZ-OE1 3.6Å; R135-E152 IonicContact NH1-OE1 3.96Å; R135-E152 PolarHBondContact NH1-OE1 3.47Å; R135-E152 IonicContact NH2-OE1 3.54Å; R135-E152 PolarHBondContact NH2-OE1 2.9Å
136	G	98.1	Very high	97	Very high	5 Å²	5	60.5 Å²	60.5	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	149.7	168.4	0	0	0	0	0	110.8	G124	G124-G136 CarbonylContact O-C 3.59Å
137	H	98.1	Very high	97	Very high	19 Å²	19	59.7 Å²	59.7	9%	0.088	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.5	-179.3	-54	-95.3	0	0	0	109.6	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.83Å; R30-H137 VanDerWaalsContact NH2-NE2 3.1Å; M122-H137 HydrophobicContact CE-CB 3.9Å; M122-H137 HydrophobicContact SD-CB 3.93Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.36Å; Y123-H137 WeakPolarHBondContact CB-O 3.46Å; G124-H137 PolarHBondContact N-O 2.86Å; G124-H137 PolarHBondContact O-N 2.9Å; D126-H137 IonicContact OD1-NE2 2.84Å; D126-H137 IonicContact OD2-CD2 2.71Å; D126-H137 IonicContact OD2-CE1 3.39Å; D126-H137 IonicContact OD2-NE2 3.72Å; D126-H137 PolarHBondContact OD2-NE2 2.92Å; R135-H137 WeakPolarHBondContact CD-CE1 3.42Å; R135-H137 PolarHBondContact NE-CE1 3.39Å
138	N	98.6	Very high	97.1	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	110.2	161.5	-173.7	14.4	0	0	0	108.6	Y140 L150 D180	N138-Y140 VanDerWaalsContact OD1-CE2 3.24Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.39Å; N138-L150 HydrophobicContact CB-CB 4.06Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 WeakPolarHBondContact O-CB 3.22Å; N138-L150 PolarHBondContact O-N 2.89Å; N138-D180 PolarHBondContact ND2-OD2 3.18Å
139	Q	98.6	Very high	97.2	Very high	74 Å²	74	61.1 Å²	61.1	35%	0.346	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.5	-175	62.8	-173.1	59.1	0	0	111.8	S121 M122 I148 A149	S121-Q139 CarbonylContact C-O 3.59Å; S121-Q139 WeakPolarHBondContact CA-O 3.45Å; S121-Q139 WeakPolarHBondContact CB-O 3.44Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 3.98Å; M122-Q139 PolarHBondContact N-O 2.94Å; M122-Q139 PolarHBondContact O-N 2.95Å; Q139-I148 WeakPolarHBondContact CA-O 3.33Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	Y	98.8	Very high	97.6	Very high	45 Å²	45	56.8 Å²	56.8	18%	0.176	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.5	-177.2	-63.5	-102.2	0	0	0	110.5	L119 Q120 N138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 4.36Å; Q120-Y140 CarbonylContact O-C 3.56Å; Q120-Y140 VanDerWaalsContact O-CA 3.26Å; Q120-Y140 WeakPolarHBondContact O-CA 3.37Å; N138-Y140 VanDerWaalsContact OD1-CE2 3.24Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.39Å; Y140-Y147 WeakPolarHBondContact O-CB 3.32Å; Y140-Y147 PolarHBondContact O-N 3.37Å; Y140-I148 HydrophobicContact CD2-CG2 4.04Å; Y140-I148 HydrophobicContact CG-CG2 4.43Å; Y140-I148 PolarHBondContact N-O 3.27Å; Y140-I148 PolarHBondContact O-N 2.95Å; Y140-W171 AromaticContact CD2-CH2 3.78Å; Y140-W171 HydrophobicContact CD2-CH2 3.78Å; Y140-W171 HydrophobicContact CD2-CZ3 4.22Å; Y140-W171 AromaticContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CH2 3.43Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.43Å; Y140-W171 AromaticContact CE2-CZ3 3.97Å; Y140-W171 HydrophobicContact CE2-CZ3 3.97Å; Y140-W171 AromaticContact CZ-CH2 3.88Å
141	A	98.8	Very high	97.9	Very high	16 Å²	16	54.5 Å²	54.5	13%	0.132	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.2	173.3	0	0	0	0	0	110.4	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.35Å; Q120-A141 HydrophobicContact CB-CB 4.42Å; Q120-A141 PolarHBondContact N-O 3.32Å; Q120-A141 PolarHBondContact O-N 2.93Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 2.99Å; A141-K145 VanDerWaalsContact CB-O 3.3Å; A141-K145 WeakPolarHBondContact CB-O 3.42Å
142	Y	98.8	Very high	98.1	Very high	11 Å²	11	60.5 Å²	60.5	4%	0.043	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.6	177.4	-175.2	-115.7	0	0	0	110.2	L102 L105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.04Å; L105-Y142 HydrophobicContact CB-CD1 4.48Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.15Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.55Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.08Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.77Å; Y109-Y142 HydrophobicContact CD2-CD1 3.77Å; 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 3.89Å; Y109-Y142 HydrophobicContact CE2-CE1 3.89Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Q111-Y142 PolarHBondContact OE1-OH 2.96Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.41Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.38Å; T118-Y142 WeakPolarHBondContact O-CD2 3.39Å; L119-Y142 HydrophobicContact CB-CD2 4.49Å; Y142-G144 PolarHBondContact O-N 2.93Å; Y142-K145 PolarHBondContact N-O 3.36Å; Y142-K145 PolarHBondContact O-N 3.5Å; Y142-K145 VanDerWaalsContact O-N 3.08Å
143	D	98.3	Very high	98.2	Very high	60 Å²	60	56 Å²	56	32%	0.321	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	39.8	-174.5	-66.5	-23.6	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.31Å; H117-D143 WeakPolarHBondContact CA-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 3.61Å; H117-D143 IonicContact CG-OD1 3.8Å; H117-D143 IonicContact CG-OD2 3.63Å; H117-D143 IonicContact ND1-OD1 2.79Å; H117-D143 PolarHBondContact ND1-OD1 2.69Å; H117-D143 IonicContact ND1-OD2 3.37Å; H117-D143 PolarHBondContact ND1-OD2 3Å; T118-D143 PolarHBondContact N-OD1 3.43Å; T118-D143 PolarHBondContact O-N 3.43Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.44Å
144	G	97.4	Very high	98.3	Very high	58 Å²	58	54 Å²	54	60%	0.598	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	9.8	177.6	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 2.93Å
145	K	98.5	Very high	98.3	Very high	159 Å²	159	56.4 Å²	56.4	69%	0.691	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.1	176.4	-62.4	178.7	-177	176.5	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 2.99Å; A141-K145 VanDerWaalsContact CB-O 3.3Å; A141-K145 WeakPolarHBondContact CB-O 3.42Å; Y142-K145 PolarHBondContact N-O 3.36Å; Y142-K145 PolarHBondContact O-N 3.5Å; Y142-K145 VanDerWaalsContact O-N 3.08Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.44Å; K145-Y147 PolarHBondContact O-N 3.47Å
146	D	98.7	Very high	98.3	Very high	125 Å²	125	53.2 Å²	53.2	67%	0.668	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.3	135.1	173.8	-65.1	-33.9	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.32Å
147	Y	98.8	Very high	98.4	Very high	11 Å²	11	53.5 Å²	53.5	4%	0.043	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-63.8	-179.4	177.8	-111.2	0	0	0	110.7	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.4Å; L105-Y147 HydrophobicContact CD2-CD2 4.18Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.49Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.06Å; Y109-Y147 HydrophobicContact CE2-CD2 4.42Å; Y109-Y147 HydrophobicContact CE2-CE2 4.14Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.36Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.36Å; Y140-Y147 WeakPolarHBondContact O-CB 3.32Å; Y140-Y147 PolarHBondContact O-N 3.37Å; K145-Y147 PolarHBondContact O-N 3.47Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 3.15Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A164 HydrophobicContact CD2-CB 3.79Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.66Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.47Å; Y147-T167 HydrophobicContact CE1-CG2 4.28Å; Y147-T167 PolarHBondContact OH-OG1 3.15Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141	177.8	-161.2	172.7	0	0	0	110.2	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.33Å; Y140-I148 HydrophobicContact CD2-CG2 4.04Å; Y140-I148 HydrophobicContact CG-CG2 4.43Å; Y140-I148 PolarHBondContact N-O 3.27Å; Y140-I148 PolarHBondContact O-N 2.95Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.2Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T167 HydrophobicContact CD1-CG2 4.28Å; I148-Q168 HydrophobicContact CD1-CB 3.91Å; I148-W171 HydrophobicContact CD1-CE3 4.18Å; I148-W171 HydrophobicContact CD1-CZ3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.08Å; I148-W171 HydrophobicContact CG2-CZ3 3.79Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	57 Å²	57	26%	0.264	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.8	179.1	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 WeakPolarHBondContact O-CA 3.19Å; A149-T158 PolarHBondContact N-O 3.36Å; A149-T158 PolarHBondContact O-N 3.28Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128	169.5	-175.1	65.1	0	0	0	108.5	N138 L154 W157 A177 D180 L184	N138-L150 HydrophobicContact CB-CB 4.06Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 WeakPolarHBondContact O-CB 3.22Å; N138-L150 PolarHBondContact O-N 2.89Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; L150-W157 HydrophobicContact CB-CE3 4.01Å; L150-W157 HydrophobicContact CB-CH2 3.98Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.85Å; L150-W157 HydrophobicContact CD1-CZ3 4.25Å; L150-W157 HydrophobicContact CG-CH2 4.47Å; L150-W157 HydrophobicContact CG-CZ3 4.5Å; L150-A177 HydrophobicContact CD1-CB 3.93Å; L150-D180 HydrophobicContact CD2-CB 4.07Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å
151	N	98.6	Very high	98.4	Very high	45 Å²	45	56.8 Å²	56.8	24%	0.241	32%	0.315	C	S	.	.			trans	-72.1	162.8	-180	-67.1	-29.4	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.46Å; N151-L154 WeakPolarHBondContact O-CA 3.46Å; N151-L154 PolarHBondContact O-N 3.46Å; N151-S156 WeakPolarHBondContact CB-O 3.47Å; N151-S156 PolarHBondContact N-O 3.45Å; N151-S156 PolarHBondContact ND2-O 3.29Å; N151-S156 PolarHBondContact ND2-OG 3.01Å; N151-T158 PolarHBondContact ND2-OG1 3.39Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-OG1 3.35Å
152	E	97.5	Very high	98.3	Very high	138 Å²	138	61.3 Å²	61.3	65%	0.645	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.9	-179.7	-66.5	-179.9	-175.2	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.6Å; R135-E152 IonicContact NH1-OE1 3.96Å; R135-E152 PolarHBondContact NH1-OE1 3.47Å; R135-E152 IonicContact NH2-OE1 3.54Å; R135-E152 PolarHBondContact NH2-OE1 2.9Å; E152-L154 PolarHBondContact O-N 2.95Å
153	D	97.5	Very high	98.3	Very high	78 Å²	78	61 Å²	61	42%	0.417	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.2	173.7	70.9	3.1	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.46Å; D153-R155 WeakPolarHBondContact O-CG 3.33Å; D153-R155 PolarHBondContact O-N 2.95Å; D153-R155 PolarHBondContact OD1-N 3.44Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.07Å; D153-S156 PolarHBondContact OD1-OG 2.99Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.47Å; D153-S156 PolarHBondContact OD2-OG 3.01Å
154	L	98.1	Very high	98.3	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.042	33%	0.325	C	S	.	.	S	Bend	trans	53.4	28.4	-175.3	-54	-178.8	0	0	0	113.6	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.17Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; N151-L154 WeakPolarHBondContact O-CA 3.46Å; N151-L154 PolarHBondContact O-N 3.46Å; E152-L154 PolarHBondContact O-N 2.95Å; L154-R181 HydrophobicContact CB-CB 4.03Å; L154-R181 HydrophobicContact CB-CG 3.79Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-R181 WeakPolarHBondContact O-CD 3.33Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.16Å
155	R	97.8	Very high	98.4	Very high	166 Å²	166	58.8 Å²	58.8	63%	0.626	31%	0.313	S	S	*	.	S	Bend	trans	-135.7	-31.4	-173.8	-71.4	170.5	-176.3	-95.5	11	112.9	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.33Å; D153-R155 PolarHBondContact O-N 2.95Å; D153-R155 PolarHBondContact OD1-N 3.44Å; R155-R181 VanDerWaalsContact CZ-NH1 3.34Å
156	S	98	Very high	98.4	Very high	40 Å²	40	54.1 Å²	54.1	28%	0.28	30%	0.295	S	S	.	.			trans	-116.6	161.4	-177.3	63.6	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.47Å; N151-S156 PolarHBondContact N-O 3.45Å; N151-S156 PolarHBondContact ND2-O 3.29Å; N151-S156 PolarHBondContact ND2-OG 3.01Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.07Å; D153-S156 PolarHBondContact OD1-OG 2.99Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.47Å; D153-S156 PolarHBondContact OD2-OG 3.01Å
157	W	98.7	Very high	98.4	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.4	-177	-62.3	92.5	0	0	0	111	I148 A149 L150 Q168 W171 V176 A177 D180	I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.2Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; A149-W157 WeakPolarHBondContact O-CA 3.19Å; L150-W157 HydrophobicContact CB-CE3 4.01Å; L150-W157 HydrophobicContact CB-CH2 3.98Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.85Å; L150-W157 HydrophobicContact CD1-CZ3 4.25Å; L150-W157 HydrophobicContact CG-CH2 4.47Å; L150-W157 HydrophobicContact CG-CZ3 4.5Å; W157-Q168 HydrophobicContact CB-CG 4.15Å; W157-Q168 PolarHBondContact O-NE2 3.34Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.45Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.9Å; W157-W171 HydrophobicContact CE3-CZ3 3.9Å; W157-W171 AromaticContact CH2-CE3 3.41Å; W157-W171 HydrophobicContact CH2-CE3 3.41Å; W157-W171 VanDerWaalsContact CH2-CE3 3.41Å; W157-W171 AromaticContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.48Å; W157-W171 AromaticContact CZ2-CZ3 3.95Å; W157-W171 HydrophobicContact CZ2-CZ3 3.95Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; W157-V176 HydrophobicContact CZ2-CB 4.36Å; W157-V176 HydrophobicContact CZ2-CG1 4.07Å; W157-A177 HydrophobicContact CZ2-CB 4.25Å; W157-D180 VanDerWaalsContact CH2-OD2 3.29Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.39Å
158	T	98.8	Very high	98.4	Very high	79 Å²	79	50.2 Å²	50.2	49%	0.485	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.8	166.5	-66.4	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.43Å; A149-T158 PolarHBondContact N-O 3.36Å; A149-T158 PolarHBondContact O-N 3.28Å; N151-T158 PolarHBondContact ND2-OG1 3.39Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-OG1 3.35Å
159	A	98.7	Very high	98.4	Very high	22 Å²	22	57.5 Å²	57.5	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131	175.7	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.7Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.5	Very high	98.4	Very high	61 Å²	61	61.5 Å²	61.5	50%	0.504	31%	0.312	S	S	.	.	S	Bend	trans	-73.8	-31.8	-176.9	0	0	0	0	0	113.2	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.32Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 3.15Å
161	D	98.3	Very high	98.3	Very high	54 Å²	54	63.3 Å²	63.3	29%	0.289	32%	0.318	S	S	.	.	S	Bend	trans	-150.4	-176	-178.1	68.5	28.9	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.35Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.92Å; Y109-D161 PolarHBondContact OH-OD2 3.07Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.89Å; D161-A163 WeakPolarHBondContact OD1-CA 3.4Å; D161-A163 WeakPolarHBondContact OD1-CB 3.18Å; D161-A163 PolarHBondContact OD1-N 3.39Å; D161-A164 PolarHBondContact O-N 2.85Å; D161-A164 PolarHBondContact OD1-N 2.61Å; D161-Q165 WeakPolarHBondContact O-CG 3.19Å; D161-Q165 PolarHBondContact O-N 3.5Å
162	T	98.2	Very high	98.3	Very high	111 Å²	111	65.7 Å²	65.7	68%	0.681	33%	0.328	S	S	*	.	H	α-helix	trans	-64.6	-27.3	-179.2	57.3	0	0	0	0	114.5
163	A	98.1	Very high	98.4	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.033	33%	0.332	C	S	.	.	H	α-helix	trans	-74.4	-43.1	175.2	0	0	0	0	0	110.1	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.89Å; D161-A163 WeakPolarHBondContact OD1-CA 3.4Å; D161-A163 WeakPolarHBondContact OD1-CB 3.18Å; D161-A163 PolarHBondContact OD1-N 3.39Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.43Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 3.38Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-35	173.6	0	0	0	0	0	112.8	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.79Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.66Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.47Å; A159-A164 HydrophobicContact CB-CB 3.7Å; D161-A164 PolarHBondContact O-N 2.85Å; D161-A164 PolarHBondContact OD1-N 2.61Å; A164-I166 PolarHBondContact O-N 3.43Å; A164-T167 WeakPolarHBondContact O-CA 3.06Å; A164-T167 WeakPolarHBondContact O-CB 3.49Å; A164-T167 PolarHBondContact O-N 3.12Å; A164-Q168 PolarHBondContact O-N 3.48Å
165	Q	98.7	Very high	98.4	Very high	73 Å²	73	69.4 Å²	69.4	34%	0.341	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-28.5	173.9	-73.5	174.6	11.9	0	0	113.2	A159 D161 A163 T167 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.19Å; D161-Q165 PolarHBondContact O-N 3.5Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.43Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.31Å; Q165-R169 PolarHBondContact O-N 2.96Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.5	Very high	98.4	Very high	60 Å²	60	62.9 Å²	62.9	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-65.8	-43.4	174.2	-57.3	171.1	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CD2-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CD1 4.36Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.17Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.24Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 3.38Å; A164-I166 PolarHBondContact O-N 3.43Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 3.08Å
167	T	98.5	Very high	98.5	Very high	14 Å²	14	61.4 Å²	61.4	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-67.8	-44.4	177.4	-60.1	0	0	0	0	111.3	Y147 I148 A164 Q165 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.28Å; Y147-T167 PolarHBondContact OH-OG1 3.15Å; I148-T167 HydrophobicContact CD1-CG2 4.28Å; A164-T167 WeakPolarHBondContact O-CA 3.06Å; A164-T167 WeakPolarHBondContact O-CB 3.49Å; A164-T167 PolarHBondContact O-N 3.12Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.46Å; T167-K170 WeakPolarHBondContact O-CB 3.34Å; T167-K170 PolarHBondContact O-N 3.18Å; T167-K170 VanDerWaalsContact O-N 3.07Å; T167-W171 HydrophobicContact CG2-CD2 3.79Å; T167-W171 HydrophobicContact CG2-CE3 4.35Å; T167-W171 HydrophobicContact CG2-CG 4.12Å; T167-W171 HydrophobicContact CG2-CH2 4.42Å; T167-W171 HydrophobicContact CG2-CZ2 3.89Å; T167-W171 WeakPolarHBondContact O-CB 3.29Å; T167-W171 PolarHBondContact O-N 2.95Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	66.5 Å²	66.5	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-50.4	-52.6	174.4	176.4	174.1	16.9	0	0	111.5	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.91Å; W157-Q168 HydrophobicContact CB-CG 4.15Å; W157-Q168 PolarHBondContact O-NE2 3.34Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 3.48Å; Q168-K170 VanDerWaalsContact C-N 3.31Å; Q168-K170 PolarHBondContact O-N 3.37Å; Q168-W171 PolarHBondContact O-N 3.11Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.08Å; Q168-E172 PolarHBondContact NE2-OE1 3.4Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 VanDerWaalsContact O-CG 3.31Å; Q168-E172 WeakPolarHBondContact O-CG 3.16Å; Q168-E172 PolarHBondContact O-N 3.17Å
169	R	98.7	Very high	98.4	Very high	157 Å²	157	69.1 Å²	69.1	59%	0.592	36%	0.361	S	S	*	.	H	α-helix	trans	-60.6	-39.3	179.5	-68.7	170.5	-166.5	148.8	8.7	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.31Å; Q165-R169 PolarHBondContact O-N 2.96Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.46Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 3.02Å
170	K	98.4	Very high	98.4	Very high	116 Å²	116	69.7 Å²	69.7	50%	0.504	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-44.7	176.4	-73.4	178.3	174	-173.1	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 WeakPolarHBondContact OH-CE 3.45Å; Y108-K170 PolarHBondContact OH-NZ 2.83Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 3.08Å; T167-K170 WeakPolarHBondContact O-CB 3.34Å; T167-K170 PolarHBondContact O-N 3.18Å; T167-K170 VanDerWaalsContact O-N 3.07Å; Q168-K170 VanDerWaalsContact C-N 3.31Å; Q168-K170 PolarHBondContact O-N 3.37Å; K170-A173 PolarHBondContact O-N 3.42Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.48Å
171	W	98.5	Very high	98.4	Very high	53 Å²	53	70 Å²	70	20%	0.201	35%	0.349	C	S	.	.	H	α-helix	trans	-71.5	-36.8	-178.1	-75.2	9.7	0	0	0	112.8	Y140 I148 W157 T167 Q168 A174 R175 V176	Y140-W171 AromaticContact CD2-CH2 3.78Å; Y140-W171 HydrophobicContact CD2-CH2 3.78Å; Y140-W171 HydrophobicContact CD2-CZ3 4.22Å; Y140-W171 AromaticContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CH2 3.43Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.43Å; Y140-W171 AromaticContact CE2-CZ3 3.97Å; Y140-W171 HydrophobicContact CE2-CZ3 3.97Å; Y140-W171 AromaticContact CZ-CH2 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.18Å; I148-W171 HydrophobicContact CD1-CZ3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.08Å; I148-W171 HydrophobicContact CG2-CZ3 3.79Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.45Å; W157-W171 AromaticContact CE2-CE3 3.74Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.9Å; W157-W171 HydrophobicContact CE3-CZ3 3.9Å; W157-W171 AromaticContact CH2-CE3 3.41Å; W157-W171 HydrophobicContact CH2-CE3 3.41Å; W157-W171 VanDerWaalsContact CH2-CE3 3.41Å; W157-W171 AromaticContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.48Å; W157-W171 AromaticContact CZ2-CZ3 3.95Å; W157-W171 HydrophobicContact CZ2-CZ3 3.95Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.33Å; W157-W171 HydrophobicContact CZ3-CZ3 3.33Å; T167-W171 HydrophobicContact CG2-CD2 3.79Å; T167-W171 HydrophobicContact CG2-CE3 4.35Å; T167-W171 HydrophobicContact CG2-CG 4.12Å; T167-W171 HydrophobicContact CG2-CH2 4.42Å; T167-W171 HydrophobicContact CG2-CZ2 3.89Å; T167-W171 WeakPolarHBondContact O-CB 3.29Å; T167-W171 PolarHBondContact O-N 2.95Å; Q168-W171 PolarHBondContact O-N 3.11Å; W171-A174 CarbonylContact O-C 3.43Å; W171-A174 PolarHBondContact O-N 2.92Å; W171-R175 WeakPolarHBondContact O-CA 3.48Å; W171-R175 PolarHBondContact O-N 2.9Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.85Å; W171-V176 HydrophobicContact CD2-CB 4.43Å; W171-V176 HydrophobicContact CD2-CG1 4.27Å; W171-V176 HydrophobicContact CD2-CG2 4.42Å; W171-V176 HydrophobicContact CE3-CG1 4.43Å; W171-V176 HydrophobicContact CG-CB 4.1Å; W171-V176 HydrophobicContact CG-CG1 4.43Å; W171-V176 HydrophobicContact CG-CG2 3.79Å; W171-V176 PolarHBondContact O-N 3.17Å
172	E	98.6	Very high	98.4	Very high	96 Å²	96	70.4 Å²	70.4	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-46.4	171.5	-73.6	170.4	175.3	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.08Å; Q168-E172 PolarHBondContact NE2-OE1 3.4Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 VanDerWaalsContact O-CG 3.31Å; Q168-E172 WeakPolarHBondContact O-CG 3.16Å; Q168-E172 PolarHBondContact O-N 3.17Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.47Å; E172-R175 PolarHBondContact O-N 2.8Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.4	Very high	98.4	Very high	88 Å²	88	68.3 Å²	68.3	73%	0.727	34%	0.34	S	S	*	.	H	α-helix	trans	-62.5	-36.2	176.7	0	0	0	0	0	112.6	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 3.02Å; K170-A173 PolarHBondContact O-N 3.42Å
174	A	98.2	Very high	98.4	Very high	59 Å²	59	68.2 Å²	68.2	49%	0.488	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.4	177.2	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.48Å; W171-A174 CarbonylContact O-C 3.43Å; W171-A174 PolarHBondContact O-N 2.92Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.47Å; A174-V176 VanDerWaalsContact C-N 3.29Å; A174-V176 HydrophobicContact CB-CG2 4.09Å; A174-V176 PolarHBondContact O-N 2.91Å
175	R	98	Very high	98.4	Very high	155 Å²	155	72.5 Å²	72.5	59%	0.585	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39.7	-177.7	-57.7	177.2	172.1	-143.8	6.8	114.1	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.48Å; W171-R175 PolarHBondContact O-N 2.9Å; E172-R175 PolarHBondContact O-N 2.8Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 2.8Å; R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.45Å; R175-E178 IonicContact CZ-OE1 3.67Å; R175-E178 IonicContact NE-OE1 3.88Å; R175-E178 IonicContact NH1-OE1 2.83Å; R175-E178 PolarHBondContact NH1-OE1 3.19Å; R175-E178 IonicContact NH1-OE2 3.81Å; R175-E178 WeakPolarHBondContact O-CB 3.39Å; R175-E178 PolarHBondContact O-N 2.72Å
176	V	98.4	Very high	98.4	Very high	28 Å²	28	70.1 Å²	70.1	17%	0.17	35%	0.354	C	S	.	.	H	α-helix	trans	-57.2	-38.4	-178.4	176.7	0	0	0	0	111.7	W157 W171 A174 E178 Q179 D180	W157-V176 HydrophobicContact CZ2-CB 4.36Å; W157-V176 HydrophobicContact CZ2-CG1 4.07Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.85Å; W171-V176 HydrophobicContact CD2-CB 4.43Å; W171-V176 HydrophobicContact CD2-CG1 4.27Å; W171-V176 HydrophobicContact CD2-CG2 4.42Å; W171-V176 HydrophobicContact CE3-CG1 4.43Å; W171-V176 HydrophobicContact CG-CB 4.1Å; W171-V176 HydrophobicContact CG-CG1 4.43Å; W171-V176 HydrophobicContact CG-CG2 3.79Å; W171-V176 PolarHBondContact O-N 3.17Å; A174-V176 VanDerWaalsContact C-N 3.29Å; A174-V176 HydrophobicContact CB-CG2 4.09Å; A174-V176 PolarHBondContact O-N 2.91Å; V176-E178 PolarHBondContact O-N 2.84Å; V176-Q179 WeakPolarHBondContact O-CB 3.46Å; V176-Q179 PolarHBondContact O-N 3.44Å; V176-D180 PolarHBondContact O-N 3.04Å
177	A	98.4	Very high	98.4	Very high	10 Å²	10	70 Å²	70	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-31.3	178	0	0	0	0	0	113.5	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.93Å; W157-A177 HydrophobicContact CZ2-CB 4.25Å; R175-A177 PolarHBondContact O-N 2.8Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.05Å; A177-R181 WeakPolarHBondContact O-CB 3.29Å; A177-R181 PolarHBondContact O-N 3.21Å
178	E	98.3	Very high	98.4	Very high	116 Å²	116	69.4 Å²	69.4	54%	0.542	35%	0.352	S	S	.	.	H	α-helix	trans	-66.9	-36.3	176.7	-65.1	179.5	-171.1	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.45Å; R175-E178 IonicContact CZ-OE1 3.67Å; R175-E178 IonicContact NE-OE1 3.88Å; R175-E178 IonicContact NH1-OE1 2.83Å; R175-E178 PolarHBondContact NH1-OE1 3.19Å; R175-E178 IonicContact NH1-OE2 3.81Å; R175-E178 WeakPolarHBondContact O-CB 3.39Å; R175-E178 PolarHBondContact O-N 2.72Å; V176-E178 PolarHBondContact O-N 2.84Å; E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 3.02Å; E178-A182 VanDerWaalsContact O-N 3.12Å
179	Q	97.6	Very high	98.4	Very high	135 Å²	135	67.8 Å²	67.8	63%	0.631	35%	0.345	S	S	*	.	H	α-helix	trans	-72.9	-47	178.1	-59.5	179.4	13.9	0	0	111.2	V176 A177 R181 A182 Y183	V176-Q179 WeakPolarHBondContact O-CB 3.46Å; V176-Q179 PolarHBondContact O-N 3.44Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.05Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 3.12Å; Q179-A182 PolarHBondContact O-N 3.5Å; Q179-Y183 PolarHBondContact O-N 3.27Å
180	D	98.2	Very high	98.3	Very high	33 Å²	33	66.5 Å²	66.5	18%	0.176	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-44.4	177.4	-70.5	-14.7	0	0	0	110.9	N138 L150 W157 V176 A182 Y183 L184	N138-D180 PolarHBondContact ND2-OD2 3.18Å; L150-D180 HydrophobicContact CD2-CB 4.07Å; W157-D180 VanDerWaalsContact CH2-OD2 3.29Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.39Å; V176-D180 PolarHBondContact O-N 3.04Å; D180-A182 VanDerWaalsContact C-N 3.35Å; D180-A182 PolarHBondContact O-N 3Å; D180-Y183 PolarHBondContact O-N 2.83Å; D180-L184 WeakPolarHBondContact O-CB 3.49Å; D180-L184 WeakPolarHBondContact O-CG 3.3Å; D180-L184 PolarHBondContact O-N 3.22Å
181	R	98.4	Very high	98.3	Very high	67 Å²	67	63.3 Å²	63.3	25%	0.253	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-43.4	176.1	-175.9	171.1	-179.8	-119.9	-16.2	112.3	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.03Å; L154-R181 HydrophobicContact CB-CG 3.79Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-R181 WeakPolarHBondContact O-CD 3.33Å; R155-R181 VanDerWaalsContact CZ-NH1 3.34Å; A177-R181 WeakPolarHBondContact O-CB 3.29Å; A177-R181 PolarHBondContact O-N 3.21Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 3.12Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.43Å; R181-L184 PolarHBondContact O-N 3.44Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.55Å; R181-E185 IonicContact CZ-OE2 3.22Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 2.78Å; R181-E185 PolarHBondContact NE-OE1 2.86Å; R181-E185 IonicContact NE-OE2 3.69Å; R181-E185 PolarHBondContact NE-OE2 2.61Å; R181-E185 IonicContact NH2-OE1 3.74Å; R181-E185 PolarHBondContact NH2-OE1 2.92Å; R181-E185 IonicContact NH2-OE2 3.72Å; R181-E185 PolarHBondContact NH2-OE2 3.05Å; R181-E185 VanDerWaalsContact NH2-OE2 3.1Å; R181-E185 WeakPolarHBondContact O-CB 3.46Å; R181-E185 WeakPolarHBondContact O-CG 3.24Å; R181-E185 PolarHBondContact O-N 2.04Å
182	A	98.5	Very high	98.3	Very high	63 Å²	63	60.8 Å²	60.8	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-39.3	177.3	0	0	0	0	0	112.1	E178 Q179 D180 G186	E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 3.02Å; E178-A182 VanDerWaalsContact O-N 3.12Å; Q179-A182 PolarHBondContact O-N 3.5Å; D180-A182 VanDerWaalsContact C-N 3.35Å; D180-A182 PolarHBondContact O-N 3Å; A182-G186 PolarHBondContact O-N 3.27Å; A182-G186 VanDerWaalsContact O-N 3.15Å
183	Y	98.4	Very high	98.3	Very high	68 Å²	68	61.7 Å²	61.7	27%	0.267	32%	0.321	S	S	.	.	I	π-helix	trans	-66	-48.2	173.4	170	-95.4	0	0	0	112	Y123 Q179 D180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.98Å; Y123-Y183 HydrophobicContact CD2-CE1 3.98Å; Y123-Y183 HydrophobicContact CE2-CE1 4.19Å; Q179-Y183 PolarHBondContact O-N 3.27Å; D180-Y183 PolarHBondContact O-N 2.83Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.43Å; Y183-G186 CarbonylContact O-C 3.53Å; Y183-G186 PolarHBondContact O-N 3.48Å; Y183-T187 HydrophobicContact CD2-CG2 3.86Å; Y183-T187 HydrophobicContact CE2-CG2 3.76Å; Y183-T187 PolarHBondContact O-N 3.14Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.49Å; Y183-C188 PolarHBondContact O-N 3.38Å
184	L	98.6	Very high	98.2	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	31%	0.308	C	S	.	.	I	π-helix	trans	-68.6	-40.3	-175	-69.6	170.6	0	0	0	112.7	G124 L150 L154 D180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.25Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; D180-L184 WeakPolarHBondContact O-CB 3.49Å; D180-L184 WeakPolarHBondContact O-CG 3.3Å; D180-L184 PolarHBondContact O-N 3.22Å; R181-L184 PolarHBondContact O-N 3.44Å; L184-V189 WeakPolarHBondContact O-CG2 3.49Å
185	E	98.3	Very high	98.2	Very high	90 Å²	90	60.6 Å²	60.6	42%	0.421	29%	0.285	S	S	.	.	I	π-helix	trans	-78.7	-24.8	177.9	-68.6	-177	167.8	0	0	113.3	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.69Å; L154-E185 HydrophobicContact CD1-CG 4.16Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.55Å; R181-E185 IonicContact CZ-OE2 3.22Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 2.78Å; R181-E185 PolarHBondContact NE-OE1 2.86Å; R181-E185 IonicContact NE-OE2 3.69Å; R181-E185 PolarHBondContact NE-OE2 2.61Å; R181-E185 IonicContact NH2-OE1 3.74Å; R181-E185 PolarHBondContact NH2-OE1 2.92Å; R181-E185 IonicContact NH2-OE2 3.72Å; R181-E185 PolarHBondContact NH2-OE2 3.05Å; R181-E185 VanDerWaalsContact NH2-OE2 3.1Å; R181-E185 WeakPolarHBondContact O-CB 3.46Å; R181-E185 WeakPolarHBondContact O-CG 3.24Å; R181-E185 PolarHBondContact O-N 2.04Å
186	G	98.1	Very high	98.2	Very high	22 Å²	22	53.9 Å²	53.9	23%	0.227	26%	0.26	C	S	.	.	I	π-helix	trans	-109.4	-92.8	-178	0	0	0	0	0	112.3	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.27Å; A182-G186 VanDerWaalsContact O-N 3.15Å; Y183-G186 CarbonylContact O-C 3.53Å; Y183-G186 PolarHBondContact O-N 3.48Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.97Å; G186-V189 PolarHBondContact O-N 3.24Å; G186-V189 VanDerWaalsContact O-N 3.08Å; G186-E190 WeakPolarHBondContact O-CG 3.45Å; G186-E190 PolarHBondContact O-N 2.94Å
187	T	98.3	Very high	98.1	Very high	59 Å²	59	58.6 Å²	58.6	36%	0.362	28%	0.281	S	S	.	.	I	π-helix	trans	-47.9	-47.9	-172.3	-54.6	0	0	0	0	113.2	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.86Å; Y183-T187 HydrophobicContact CE2-CG2 3.76Å; Y183-T187 PolarHBondContact O-N 3.14Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; T187-V189 PolarHBondContact O-N 3.34Å; T187-E190 PolarHBondContact O-N 2.79Å; T187-W191 VanDerWaalsContact CG2-CD1 3.5Å; T187-W191 WeakPolarHBondContact O-CB 3.45Å; T187-W191 PolarHBondContact O-N 2.88Å
188	C	98.6	Very high	98	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-49	-178.3	-173.1	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.37Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.45Å; C125-C188 WeakPolarHBondContact SG-CB 3.16Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.41Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.49Å; Y183-C188 PolarHBondContact O-N 3.38Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.97Å; C188-W191 PolarHBondContact O-N 3Å; C188-L192 WeakPolarHBondContact O-CB 3.21Å; C188-L192 PolarHBondContact O-N 2.81Å
189	V	98.6	Very high	97.9	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-42.1	179.9	173.2	0	0	0	0	111.2	C125 V127 G131 L133 L184 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.38Å; V127-V189 HydrophobicContact CG1-CB 4.43Å; V127-V189 HydrophobicContact CG1-CG1 4.02Å; V127-V189 HydrophobicContact CG1-CG2 3.98Å; G131-V189 WeakPolarHBondContact O-CG1 3.44Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.82Å; L133-V189 HydrophobicContact CG-CG2 4.49Å; L184-V189 WeakPolarHBondContact O-CG2 3.49Å; G186-V189 PolarHBondContact O-N 3.24Å; G186-V189 VanDerWaalsContact O-N 3.08Å; T187-V189 PolarHBondContact O-N 3.34Å; V189-L192 PolarHBondContact O-N 2.91Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 2.9Å
190	E	98.4	Very high	97.7	Very high	130 Å²	130	53.3 Å²	53.3	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-61.9	-46.1	178.2	-71.7	178	177.3	0	0	112.1	G186 T187 R194	G186-E190 WeakPolarHBondContact O-CG 3.45Å; G186-E190 PolarHBondContact O-N 2.94Å; T187-E190 PolarHBondContact O-N 2.79Å; E190-R194 PolarHBondContact O-N 2.91Å; E190-R194 VanDerWaalsContact O-N 3.11Å
191	W	98.3	Very high	97.4	Very high	49 Å²	49	58.4 Å²	58.4	19%	0.186	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-41.6	177.8	-81.4	100.5	0	0	0	112.2	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.12Å; Y83-W191 AromaticContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CH2 3.46Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CZ2 4.18Å; Y83-W191 AromaticContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CE3 4.14Å; Y83-W191 AromaticContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CZ2 4.47Å; Y83-W191 AromaticContact CE2-CZ3 3.65Å; Y83-W191 HydrophobicContact CE2-CZ3 3.65Å; T187-W191 VanDerWaalsContact CG2-CD1 3.5Å; T187-W191 WeakPolarHBondContact O-CB 3.45Å; T187-W191 PolarHBondContact O-N 2.88Å; C188-W191 PolarHBondContact O-N 3Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.3Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 3.32Å; W191-Y195 HydrophobicContact CB-CE2 4.11Å; W191-Y195 HydrophobicContact CE3-CD1 4.38Å; W191-Y195 AromaticContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE1 3.42Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 PolarHBondContact O-N 2.87Å
192	L	98.5	Very high	97	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-46.5	175.7	174.5	52.4	0	0	0	111.1	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.42Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4Å; M29-L192 HydrophobicContact CB-CD2 4.09Å; M29-L192 HydrophobicContact CB-CG 4.25Å; M29-L192 HydrophobicContact CE-CB 4.42Å; M29-L192 HydrophobicContact SD-CB 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.59Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.21Å; C188-L192 PolarHBondContact O-N 2.81Å; V189-L192 PolarHBondContact O-N 2.91Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.47Å; L192-Y195 PolarHBondContact O-N 3.48Å; L192-L196 HydrophobicContact CD1-CD1 3.95Å; L192-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 HydrophobicContact CD1-CG 3.93Å; L192-L196 HydrophobicContact CG-CD1 4.09Å; L192-L196 WeakPolarHBondContact O-CG 3.43Å; L192-L196 PolarHBondContact O-N 2.93Å
193	R	97.4	Very high	96.7	Very high	115 Å²	115	54.5 Å²	54.5	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-59.9	-42.5	175.8	-71.3	175.4	-173.6	172.5	3	112.6	G131 V189 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.3Å; G131-R193 PolarHBondContact O-NE 3.22Å; G131-R193 PolarHBondContact O-NH2 3.13Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 2.9Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.3Å; R193-Y195 VanDerWaalsContact C-N 3.33Å; R193-Y195 PolarHBondContact O-N 2.99Å; R193-L196 PolarHBondContact O-N 2.98Å; R193-E197 PolarHBondContact O-N 2.89Å
194	R	97.6	Very high	96.3	Very high	121 Å²	121	55.8 Å²	55.8	46%	0.457	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-42.8	175.7	178.5	-179.2	174.2	114.4	-5.8	111.3	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.13Å; E79-R194 IonicContact OE1-NE 3.1Å; E79-R194 PolarHBondContact OE1-NE 3.42Å; E79-R194 IonicContact OE1-NH2 3.71Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 2.69Å; E79-R194 IonicContact OE2-NE 3.48Å; E79-R194 IonicContact OE2-NH2 2.76Å; E79-R194 PolarHBondContact OE2-NH2 3.34Å; E190-R194 PolarHBondContact O-N 2.91Å; E190-R194 VanDerWaalsContact O-N 3.11Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 3.32Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.47Å; R194-E197 PolarHBondContact O-N 3.43Å; R194-N198 VanDerWaalsContact O-CB 3.23Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.2Å; R194-N198 PolarHBondContact O-OD1 3.18Å
195	Y	97.9	Very high	96	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-39.4	179	-62.2	-25.7	0	0	0	112.8	M29 V52 F57 W75 I76 Y83 W191 L192 R193 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.49Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; F57-Y195 HydrophobicContact CD2-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.91Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.72Å; F57-Y195 HydrophobicContact CZ-CE2 3.72Å; W75-Y195 HydrophobicContact CE3-CD1 4.45Å; W75-Y195 HydrophobicContact CH2-CD2 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.16Å; W75-Y195 AromaticContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD1 3.75Å; W75-Y195 HydrophobicContact CZ3-CD2 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.64Å; W75-Y195 HydrophobicContact CZ3-CG 3.64Å; I76-Y195 HydrophobicContact CD1-CD1 3.84Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3.38Å; W191-Y195 HydrophobicContact CB-CE2 4.11Å; W191-Y195 HydrophobicContact CE3-CD1 4.38Å; W191-Y195 AromaticContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE1 3.42Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.42Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 PolarHBondContact O-N 2.87Å; L192-Y195 PolarHBondContact O-N 3.48Å; R193-Y195 VanDerWaalsContact C-N 3.33Å; R193-Y195 PolarHBondContact O-N 2.99Å; Y195-N198 PolarHBondContact O-N 3.45Å; Y195-G199 WeakPolarHBondContact O-CA 3.35Å; Y195-G199 PolarHBondContact O-N 3.26Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å
196	L	96.8	Very high	95.8	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-44.8	173.9	-69	169.3	0	0	0	111.3	H27 V52 L192 R193 G199 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.45Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; L192-L196 HydrophobicContact CD1-CD1 3.95Å; L192-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 HydrophobicContact CD1-CG 3.93Å; L192-L196 HydrophobicContact CG-CD1 4.09Å; L192-L196 WeakPolarHBondContact O-CG 3.43Å; L192-L196 PolarHBondContact O-N 2.93Å; R193-L196 PolarHBondContact O-N 2.98Å; L196-G199 CarbonylContact O-C 3.56Å; L196-G199 PolarHBondContact O-N 3.34Å; L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 WeakPolarHBondContact O-CB 3.26Å; L196-K200 PolarHBondContact O-N 3.13Å; L196-L203 HydrophobicContact CD2-CB 4.04Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å
197	E	96.3	Very high	95.7	Very high	127 Å²	127	59.2 Å²	59.2	59%	0.593	28%	0.28	S	S	*	.	H	α-helix	trans	-64.5	-47	176.1	-173.5	62.3	-150.7	0	0	111.6	R193 R194 G199	R193-E197 PolarHBondContact O-N 2.89Å; R194-E197 PolarHBondContact O-N 3.43Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.12Å
198	N	96.6	Very high	95.7	Very high	51 Å²	51	59.5 Å²	59.5	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-36.6	178.8	-79.3	-0.7	0	0	0	113	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.44Å; Q78-N198 PolarHBondContact NE2-ND2 2.73Å; Q78-N198 PolarHBondContact NE2-OD1 2.84Å; E79-N198 PolarHBondContact OE1-ND2 3.06Å; R194-N198 VanDerWaalsContact O-CB 3.23Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.2Å; R194-N198 PolarHBondContact O-OD1 3.18Å; Y195-N198 PolarHBondContact O-N 3.45Å
199	G	95.7	Very high	95.7	Very high	3 Å²	3	59.9 Å²	59.9	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	13.4	-174.1	0	0	0	0	0	114	Y195 L196 E197 D201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.35Å; Y195-G199 PolarHBondContact O-N 3.26Å; L196-G199 CarbonylContact O-C 3.56Å; L196-G199 PolarHBondContact O-N 3.34Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.12Å; G199-D201 PolarHBondContact O-N 2.85Å; G199-T202 CarbonylContact O-C 3.52Å; G199-T202 WeakPolarHBondContact O-CA 3.49Å; G199-T202 PolarHBondContact O-N 3.34Å; G199-T202 PolarHBondContact O-OG1 2.9Å; G199-L203 PolarHBondContact O-N 2.91Å
200	K	93.6	Very high	95.7	Very high	96 Å²	96	67 Å²	67	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-48.3	-48	-167.7	-177.5	168.5	-172.8	160.7	0	115.1	L196 T202 E204	L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 WeakPolarHBondContact O-CB 3.26Å; L196-K200 PolarHBondContact O-N 3.13Å; K200-T202 PolarHBondContact O-N 2.6Å; K200-E204 VanDerWaalsContact CE-OE2 3.24Å; K200-E204 WeakPolarHBondContact CE-OE2 3.21Å; K200-E204 HydrophobicContact CG-CB 4.49Å; K200-E204 HydrophobicContact CG-CG 4.35Å; K200-E204 WeakPolarHBondContact CG-OE2 3.28Å; K200-E204 PolarHBondContact O-N 2.95Å
201	D	91.8	Very high	95.7	Very high	140 Å²	140	62.6 Å²	62.6	75%	0.749	30%	0.297	S	S	*	.	H	α-helix	trans	-61	-20.7	180	-66.5	-19.9	0	0	0	113.4	G199 R205	G199-D201 PolarHBondContact O-N 2.85Å; D201-R205 PolarHBondContact O-NH1 2.84Å
202	T	91.5	Very high	95.6	Very high	45 Å²	45	64 Å²	64	28%	0.276	31%	0.306	S	S	.	.	H	α-helix	trans	-101.1	-69.3	174.1	55.8	0	0	0	0	110.8	G199 K200 E204 R205 R263	G199-T202 CarbonylContact O-C 3.52Å; G199-T202 WeakPolarHBondContact O-CA 3.49Å; G199-T202 PolarHBondContact O-N 3.34Å; G199-T202 PolarHBondContact O-OG1 2.9Å; K200-T202 PolarHBondContact O-N 2.6Å; T202-E204 PolarHBondContact O-N 3.46Å; T202-R205 WeakPolarHBondContact O-CB 3.5Å; T202-R205 PolarHBondContact O-N 2.94Å; T202-R263 VanDerWaalsContact CA-NH1 3.3Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 VanDerWaalsContact O-CZ 3.32Å; T202-R263 PolarHBondContact O-NH1 3.07Å; T202-R263 PolarHBondContact O-NH2 2.92Å
203	L	91.9	Very high	95.6	Very high	4 Å²	4	65 Å²	65	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-35.8	-166	-62.1	171.8	0	0	0	114	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; T55-L203 HydrophobicContact CG2-CD2 4.16Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å; L196-L203 HydrophobicContact CD2-CB 4.04Å; L196-L203 HydrophobicContact CD2-CD1 4.27Å; G199-L203 PolarHBondContact O-N 2.91Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.32Å
204	E	89.4	Confident	95.6	Very high	94 Å²	94	61.1 Å²	61.1	44%	0.439	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.5	177.9	-61.3	-174.2	-179.2	0	0	112.9	K200 T202	K200-E204 VanDerWaalsContact CE-OE2 3.24Å; K200-E204 WeakPolarHBondContact CE-OE2 3.21Å; K200-E204 HydrophobicContact CG-CB 4.49Å; K200-E204 HydrophobicContact CG-CG 4.35Å; K200-E204 WeakPolarHBondContact CG-OE2 3.28Å; K200-E204 PolarHBondContact O-N 2.95Å; T202-E204 PolarHBondContact O-N 3.46Å
205	R	92.5	Very high	95.5	Very high	118 Å²	118	57.9 Å²	57.9	45%	0.445	29%	0.291	S	S	.	.			trans	-96.8	113.5	-179.9	-167.3	-176.9	79.3	-146.8	2.9	111	D201 T202 L203 D207 Y233	D201-R205 PolarHBondContact O-NH1 2.84Å; T202-R205 WeakPolarHBondContact O-CB 3.5Å; T202-R205 PolarHBondContact O-N 2.94Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.32Å; R205-D207 IonicContact CZ-OD1 3.16Å; R205-D207 IonicContact CZ-OD2 3.51Å; R205-D207 IonicContact NE-OD1 2.63Å; R205-D207 PolarHBondContact NE-OD1 3.49Å; R205-D207 IonicContact NE-OD2 2.74Å; R205-D207 IonicContact NH2-OD1 3.53Å; R205-D207 IonicContact NH2-OD2 3.4Å; R205-D207 PolarHBondContact NH2-OD2 2.9Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å
206	A	94.8	Very high	95.4	Very high	32 Å²	32	61.8 Å²	61.8	26%	0.264	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-84.4	123.3	166.3	0	0	0	0	0	110.8	Y233 E288	A206-Y233 CarbonylContact C-O 3.49Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.13Å; A206-E288 HydrophobicContact CB-CB 4.5Å; A206-E288 HydrophobicContact CB-CG 4.32Å
207	D	96.3	Very high	95.2	Very high	36 Å²	36	65.9 Å²	65.9	19%	0.193	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-97.5	117.5	175.6	-68.8	-33.7	0	0	0	108.2	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.16Å; R205-D207 IonicContact CZ-OD2 3.51Å; R205-D207 IonicContact NE-OD1 2.63Å; R205-D207 PolarHBondContact NE-OD1 3.49Å; R205-D207 IonicContact NE-OD2 2.74Å; R205-D207 IonicContact NH2-OD1 3.53Å; R205-D207 IonicContact NH2-OD2 3.4Å; R205-D207 PolarHBondContact NH2-OD2 2.9Å; D207-F232 CarbonylContact O-C 3.59Å; D207-F232 WeakPolarHBondContact O-CA 3.39Å; D207-F232 WeakPolarHBondContact O-CB 3.49Å; D207-Y233 PolarHBondContact N-O 2.93Å; D207-Y233 PolarHBondContact O-N 3.42Å; D207-H287 PolarHBondContact O-CE1 3.02Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å
208	P	97.4	Very high	95	Very high	65 Å²	65	64.4 Å²	64.4	42%	0.422	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-70.7	149.4	-176	25.2	-32.9	0	0	0	112.9	L290	P208-L290 HydrophobicContact CB-CD2 3.92Å; P208-L290 HydrophobicContact CB-CG 4.47Å
209	P	98.2	Very high	94.9	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.058	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67.6	135.1	179.3	28.2	-35.3	0	0	0	112.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 3.24Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 3.94Å; P209-I237 HydrophobicContact CG-CD1 4.01Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.07Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	98.3	Very high	94.6	Very high	157 Å²	157	71.7 Å²	71.7	68%	0.683	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	109.5	163.6	-63.3	173.7	-172.3	168.4	0	108.2	L230	K210-L230 PolarHBondContact N-O 3.07Å; K210-L230 PolarHBondContact O-N 3.29Å
211	T	98.1	Very high	94.6	Very high	36 Å²	36	74.1 Å²	74.1	22%	0.221	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.3	-172	54.5	0	0	0	0	112.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 3.24Å; T211-W228 WeakPolarHBondContact CA-O 3.3Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; T211-L294 HydrophobicContact CG2-CD1 4.29Å; T211-L296 HydrophobicContact CG2-CD1 4.41Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.49Å
212	H	97.3	Very high	94.8	Very high	79 Å²	79	71.8 Å²	71.8	37%	0.366	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	159	170.8	64	-75.9	0	0	0	110.9	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.42Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.34Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.12Å
213	V	98.1	Very high	95	Very high	22 Å²	22	69.7 Å²	69.7	13%	0.133	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.8	176.7	-179.2	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 WeakPolarHBondContact CA-O 3.42Å; V213-C227 HydrophobicContact CG2-CB 4.41Å; V213-W241 HydrophobicContact CG1-CH2 3.89Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.81Å; V213-L296 HydrophobicContact CG2-CD2 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.8	Very high	95.3	Very high	33 Å²	33	70.5 Å²	70.5	20%	0.202	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.6	175.1	55.6	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.64Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; T214-R226 PolarHBondContact N-O 3.46Å; T214-R226 PolarHBondContact O-N 2.78Å; T214-R226 WeakPolarHBondContact OG1-CB 3.35Å; T214-R226 PolarHBondContact OG1-O 3.49Å; T214-W228 PolarHBondContact OG1-NE1 3.38Å
215	H	96.3	Very high	95.7	Very high	53 Å²	53	66 Å²	66	25%	0.245	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126	-179	169.4	-93.6	0	0	0	109.6	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.23Å; H215-T224 WeakPolarHBondContact CA-O 3.47Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.53Å; H215-W298 HydrophobicContact CB-CD2 4.05Å; H215-W298 VanDerWaalsContact CB-CE2 3.47Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 3.95Å; H215-W298 AromaticContact CG-CE2 3.72Å; H215-W298 AromaticContact CG-CZ2 3.73Å; H215-W298 AromaticContact ND1-CZ2 3.85Å
216	H	94.8	Very high	95.9	Very high	84 Å²	84	62.9 Å²	62.9	39%	0.389	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	105.8	-178.9	-59.5	83.8	0	0	0	109.1	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.64Å; H216-I218 PolarHBondContact O-N 2.86Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 WeakPolarHBondContact O-CA 3.35Å; H216-T224 PolarHBondContact N-O 3.08Å; H216-T224 PolarHBondContact O-N 3.45Å; H216-R226 PolarHBondContact CE1-NH1 3.01Å
217	P	94.3	Very high	96.1	Very high	99 Å²	99	61.4 Å²	61.4	64%	0.643	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	132.3	173.6	-21.2	31.5	0	0	0	111
218	I	92.3	Very high	96.2	Very high	97 Å²	97	62 Å²	62	50%	0.497	32%	0.318	S	S	.	.			trans	-100.5	-44.3	174.3	-51.4	173.3	0	0	0	109.4	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.86Å; I218-E222 PolarHBondContact N-O 3.03Å; I218-T224 VanDerWaalsContact CD1-OG1 3.28Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.46Å; I218-V272 HydrophobicContact CD1-CG1 3.94Å; I218-V272 HydrophobicContact CD1-CG2 4.05Å
219	S	92.8	Very high	96.3	Very high	54 Å²	54	58.9 Å²	58.9	38%	0.378	30%	0.298	S	S	.	.	S	Bend	trans	-147.7	-179.1	178	72.7	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.22Å; S219-H221 PolarHBondContact OG-N 2.86Å; S219-E222 PolarHBondContact N-O 2.84Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.87Å
220	D	90.3	Very high	96.3	Very high	152 Å²	152	61 Å²	61	81%	0.813	31%	0.309	S	S	*	.	S	Bend	trans	-62.7	-19.6	173	-65.4	-21.9	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.25Å
221	H	93.2	Very high	96.2	Very high	147 Å²	147	54.6 Å²	54.6	68%	0.681	29%	0.287	S	S	*	.	S	Bend	trans	-106	-16.4	-174.4	-56	-48.8	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.22Å; S219-H221 PolarHBondContact OG-N 2.86Å; H221-P274 CarbonylContact O-C 3.6Å; H221-P274 WeakPolarHBondContact O-CA 3.06Å; H221-S275 PolarHBondContact O-N 2.86Å; H221-S275 PolarHBondContact O-OG 3.33Å
222	E	95.4	Very high	96.2	Very high	91 Å²	91	52.9 Å²	52.9	43%	0.425	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.4	-171.5	-66.2	-178.9	163.4	0	0	112.8	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.03Å; S219-E222 PolarHBondContact N-O 2.84Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.87Å; E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.25Å; E222-S275 PolarHBondContact N-OG 2.89Å
223	A	96.2	Very high	96.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154	172.6	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.23Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 WeakPolarHBondContact O-CA 3.35Å; A223-V272 WeakPolarHBondContact O-CA 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.41Å; A223-V273 PolarHBondContact O-N 3.3Å
224	T	97.6	Very high	96.1	Very high	22 Å²	22	49 Å²	49	14%	0.135	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.5	168.5	-51.7	0	0	0	0	109.9	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.47Å; H216-T224 PolarHBondContact N-O 3.08Å; H216-T224 PolarHBondContact O-N 3.45Å; I218-T224 VanDerWaalsContact CD1-OG1 3.28Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.46Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 2.94Å
225	L	98.1	Very high	96.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.5	162.5	-64	-175.4	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.33Å; L225-V271 HydrophobicContact CB-CG1 4.22Å; L225-V271 PolarHBondContact N-O 3.37Å; L225-V271 PolarHBondContact O-N 3.21Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.95Å
226	R	98.3	Very high	96.1	Very high	52 Å²	52	50.4 Å²	50.4	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.8	176.1	-178.8	-178	-61.9	113.2	2.6	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.42Å; T214-R226 PolarHBondContact N-O 3.46Å; T214-R226 PolarHBondContact O-N 2.78Å; T214-R226 WeakPolarHBondContact OG1-CB 3.35Å; T214-R226 PolarHBondContact OG1-O 3.49Å; H216-R226 PolarHBondContact CE1-NH1 3.01Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.43Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.3	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.2	175.2	-173.1	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.41Å; C227-W241 HydrophobicContact CB-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.38Å; C227-W268 WeakPolarHBondContact O-CB 3.16Å; C227-A269 PolarHBondContact N-O 2.92Å; C227-A269 PolarHBondContact O-N 2.91Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.23Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.88Å
228	W	98.4	Very high	96.3	Very high	48 Å²	48	44.8 Å²	44.8	18%	0.182	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.6	179.8	-70.2	89.7	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.3Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.42Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.34Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.12Å; T214-W228 PolarHBondContact OG1-NE1 3.38Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.39Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å
229	A	98.6	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124	162.1	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.49Å; A229-I237 HydrophobicContact CB-CD1 3.59Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.31Å; A229-K267 PolarHBondContact N-O 2.64Å; A229-K267 PolarHBondContact O-N 2.88Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.4	Very high	96.8	Very high	54 Å²	54	39.9 Å²	39.9	28%	0.283	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.8	-174.6	-58.7	176.5	0	0	0	110.9	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.07Å; K210-L230 PolarHBondContact O-N 3.29Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.39Å; L230-F232 PolarHBondContact O-N 2.92Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.7	Very high	97.2	Very high	22 Å²	22	32.7 Å²	32.7	23%	0.227	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71	29.5	167.5	0	0	0	0	0	114.1	F265	G231-F265 PolarHBondContact N-O 2.98Å
232	F	97.9	Very high	97.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	155.1	-179.5	59.4	-89.1	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.59Å; D207-F232 WeakPolarHBondContact O-CA 3.39Å; D207-F232 WeakPolarHBondContact O-CB 3.49Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.49Å; L230-F232 PolarHBondContact O-N 2.92Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.24Å; F232-I237 HydrophobicContact CD2-CD1 4.04Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.36Å; F232-I237 HydrophobicContact CE2-CB 3.71Å; F232-I237 HydrophobicContact CE2-CD1 3.99Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4.02Å; F232-I237 HydrophobicContact CZ-CB 4.05Å; F232-I237 HydrophobicContact CZ-CD1 3.9Å; F232-I237 HydrophobicContact CZ-CG2 3.49Å; F232-I237 VanDerWaalsContact CZ-CG2 3.49Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.46Å; F232-F265 WeakPolarHBondContact CD1-O 3.28Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.19Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.97Å; F232-F265 PolarHBondContact O-N 3.25Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.82Å; F232-H287 AromaticContact CD2-NE2 3.68Å
233	Y	96.6	Very high	97.5	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-149.7	137	172.1	178.3	-84	0	0	0	108.8	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.87Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.49Å; T55-Y233 PolarHBondContact OG1-OH 2.89Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å; A206-Y233 CarbonylContact C-O 3.49Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.13Å; D207-Y233 PolarHBondContact N-O 2.93Å; D207-Y233 PolarHBondContact O-N 3.42Å; Y233-R263 HydrophobicContact CD2-CG 3.92Å; Y233-R263 HydrophobicContact CE2-CG 4.13Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.3Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; Y233-F265 HydrophobicContact CE2-CE2 4.49Å; Y233-H287 PolarHBondContact O-CE1 2.85Å
234	P	96	Very high	97.4	Very high	17 Å²	17	31.5 Å²	31.5	11%	0.11	16%	0.163	C	C	.	.	S	Bend	cis	-71.9	179.8	2.1	30.3	-36.3	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.42Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 2.83Å; P234-E288 WeakPolarHBondContact CG-OE2 3.34Å
235	A	96.9	Very high	97.1	Very high	15 Å²	15	32.9 Å²	32.9	12%	0.124	18%	0.182	C	C	.	.	S	Bend	trans	-70.4	-26.5	-174.6	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 WeakPolarHBondContact OD2-CB 3.32Å; D54-A235 PolarHBondContact OD2-N 3.46Å; A235-I237 PolarHBondContact O-N 3.49Å; A235-T257 HydrophobicContact CB-CG2 4.41Å; A235-T257 WeakPolarHBondContact O-CG2 3.11Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.77Å; A235-F265 HydrophobicContact CB-CZ 3.63Å
236	E	96	Very high	97	Very high	99 Å²	99	39.8 Å²	39.8	46%	0.463	21%	0.214	S	C	.	.			trans	-63.6	125.6	176.5	-170.6	83.9	-179	0	0	110	W23 P234 H287	W23-E236 HydrophobicContact CE3-CB 4.09Å; W23-E236 HydrophobicContact CE3-CG 4.09Å; W23-E236 HydrophobicContact CH2-CB 3.48Å; W23-E236 VanDerWaalsContact CH2-CB 3.48Å; W23-E236 HydrophobicContact CH2-CG 3.03Å; W23-E236 HydrophobicContact CZ2-CG 3.83Å; W23-E236 HydrophobicContact CZ3-CB 3.12Å; W23-E236 HydrophobicContact CZ3-CG 3.18Å; P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 2.83Å
237	I	96.8	Very high	96.8	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.046	23%	0.229	C	C	.	.			trans	-151.5	144.2	172.3	-164.6	170.5	0	0	0	109.1	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.94Å; P209-I237 HydrophobicContact CG-CD1 4.01Å; A229-I237 HydrophobicContact CB-CD1 3.59Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.24Å; F232-I237 HydrophobicContact CD2-CD1 4.04Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.36Å; F232-I237 HydrophobicContact CE2-CB 3.71Å; F232-I237 HydrophobicContact CE2-CD1 3.99Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4.02Å; F232-I237 HydrophobicContact CZ-CB 4.05Å; F232-I237 HydrophobicContact CZ-CD1 3.9Å; F232-I237 HydrophobicContact CZ-CG2 3.49Å; F232-I237 VanDerWaalsContact CZ-CG2 3.49Å; A235-I237 PolarHBondContact O-N 3.49Å; I237-L239 HydrophobicContact CB-CD1 4.36Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 3.97Å; I237-K267 HydrophobicContact CG2-CB 4.15Å; I237-K267 HydrophobicContact CG2-CD 3.52Å; I237-K267 HydrophobicContact CG2-CG 4.49Å; I237-V285 HydrophobicContact CD1-CG1 3.92Å; I237-V285 HydrophobicContact CG1-CG1 4.23Å; I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; I237-H287 HydrophobicContact CD1-CB 4.35Å; I237-H287 HydrophobicContact CG1-CB 4.11Å
238	T	97.4	Very high	96.6	Very high	57 Å²	57	43 Å²	43	35%	0.35	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122	172.4	-63	0	0	0	0	109.9	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; T238-Q286 PolarHBondContact N-O 3.21Å; T238-Q286 PolarHBondContact O-N 3.13Å
239	L	97.7	Very high	96.2	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.6	173.3	-88.1	64.1	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; I237-L239 HydrophobicContact CB-CD1 4.36Å; I237-L239 HydrophobicContact CD1-CD1 3.63Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 3.97Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.27Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.4	Very high	95.7	Very high	40 Å²	40	55 Å²	55	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.4	175.9	59.4	0	0	0	0	111.8	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; T240-H284 PolarHBondContact N-O 3.01Å; T240-H284 PolarHBondContact O-N 3.31Å
241	W	98.1	Very high	95.2	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.8	168.9	-82.4	106.2	0	0	0	110.1	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.89Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.61Å; W241-A269 PolarHBondContact NE1-O 3.15Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; W241-T282 WeakPolarHBondContact CA-O 3.38Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.17Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.8	Very high	95	Very high	41 Å²	41	57.9 Å²	57.9	19%	0.192	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.5	171.5	-69.6	-173.9	-7.5	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.27Å; Q242-D247 PolarHBondContact NE2-OD1 3.4Å; Q242-Y281 CarbonylContact O-C 3.47Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.13Å; Q242-T282 PolarHBondContact N-O 3.12Å; Q242-T282 PolarHBondContact O-N 3.2Å; Q242-H284 PolarHBondContact OE1-NE2 2.77Å
243	R	97.3	Very high	95	Very high	73 Å²	73	63.4 Å²	63.4	28%	0.275	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.5	168.5	-176.1	-172.3	-175.7	179.7	0.5	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.34Å; R243-E246 PolarHBondContact N-O 3.04Å; R243-E246 PolarHBondContact O-N 3.46Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 3.73Å; R243-E277 IonicContact NE-OE2 2.96Å; R243-E277 IonicContact NH2-OE1 2.7Å; R243-E277 IonicContact NH2-OE2 3.7Å; R243-E277 PolarHBondContact NH2-OE2 2.87Å; R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.39Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.39Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.07Å
244	D	95.1	Very high	95	Very high	100 Å²	100	67.5 Å²	67.5	54%	0.535	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	29	-175.1	-53.4	-49.7	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 2.88Å; D244-R280 IonicContact OD1-NE 3.39Å; D244-R280 PolarHBondContact OD1-NE 3.18Å; D244-R280 IonicContact OD2-CZ 2.76Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 3.26Å; D244-R280 IonicContact OD2-NH2 3.71Å; D244-R280 PolarHBondContact OD2-NH2 3.31Å
245	G	91	Very high	95	Very high	51 Å²	51	68.3 Å²	68.3	53%	0.526	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-0.4	-177.5	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.34Å
246	E	95.2	Very high	95	Very high	145 Å²	145	75.8 Å²	75.8	68%	0.678	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	127.7	175.7	-63.3	-173.4	170.4	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; R243-E246 PolarHBondContact N-O 3.04Å; R243-E246 PolarHBondContact O-N 3.46Å; E246-Q248 PolarHBondContact O-NE2 2.82Å
247	D	94.8	Very high	95.1	Very high	95 Å²	95	73.2 Å²	73.2	51%	0.508	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	134.1	-179.2	-68.7	-29.2	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.27Å; Q242-D247 PolarHBondContact NE2-OD1 3.4Å
248	Q	94.4	Very high	95.1	Very high	25 Å²	25	77.3 Å²	77.3	12%	0.117	40%	0.402	C	S	.	.			trans	-104.6	36.9	-177.4	-58	-60.9	-70	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.61Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 2.82Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3Å; Q248-D251 PolarHBondContact O-N 2.54Å; Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 2.87Å; Q248-T252 PolarHBondContact O-OG1 3Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å
249	T	89.1	Confident	95.1	Very high	107 Å²	107	79.1 Å²	79.1	66%	0.656	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-37.3	-169.2	-48.7	0	0	0	0	114
250	Q	88.8	Confident	95.1	Very high	192 Å²	192	81.2 Å²	81.2	90%	0.897	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-31.1	-178.4	-66.1	-174.9	7.7	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3Å
251	D	87.3	Confident	94.8	Very high	113 Å²	113	83 Å²	83	60%	0.604	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	1.9	-177.6	-56.7	-52.2	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.54Å
252	T	94.6	Very high	94.6	Very high	24 Å²	24	88.2 Å²	88.2	15%	0.147	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.2	179.8	-63.7	0	0	0	0	110.7	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 2.87Å; Q248-T252 PolarHBondContact O-OG1 3Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.93Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.5Å
253	E	96.6	Very high	94.3	Very high	115 Å²	115	89.1 Å²	89.1	54%	0.537	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	107	163.7	-173.9	-174.5	-170.3	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.81Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.39Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.41Å; E253-A269 CarbonylContact O-C 3.46Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.83Å; E253-A270 PolarHBondContact O-N 3.2Å
254	L	96.6	Very high	94.3	Very high	90 Å²	90	86.5 Å²	86.5	47%	0.471	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.5	178.5	-174.3	68.4	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.93Å; L254-K267 HydrophobicContact CD1-CD 4.45Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255	V	96.6	Very high	94.4	Very high	34 Å²	34	82.9 Å²	82.9	21%	0.206	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-82.7	153.8	175	-65.1	0	0	0	0	112.1	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.19Å; V255-K267 PolarHBondContact O-NZ 3.16Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 2.85Å
256	E	96.7	Very high	94.8	Very high	172 Å²	172	82.7 Å²	82.7	80%	0.804	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-57.3	148.3	167	-67.6	-175.5	170.2	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 2.81Å
257	T	97.9	Very high	94.9	Very high	46 Å²	46	76.8 Å²	76.8	28%	0.282	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-68.7	130.9	173.9	-56.3	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; A235-T257 HydrophobicContact CB-CG2 4.41Å; A235-T257 WeakPolarHBondContact O-CG2 3.11Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; T257-K267 WeakPolarHBondContact OG1-CD 3.17Å; T257-K267 PolarHBondContact OG1-NZ 3.45Å; T257-K267 VanDerWaalsContact OG1-NZ 3.14Å
258	R	97.4	Very high	95.1	Very high	95 Å²	95	73.5 Å²	73.5	36%	0.358	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.7	-175	68.4	-168.4	-178.1	-166.1	1.6	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.81Å; R258-F265 WeakPolarHBondContact O-CA 3.19Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.24Å; R258-Q266 PolarHBondContact O-N 3.06Å
259	P	97.3	Very high	95.3	Very high	94 Å²	94	72.3 Å²	72.3	61%	0.61	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	145.5	178.3	28.9	-34.6	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	95.7	Very high	51 Å²	51	67.3 Å²	67.3	42%	0.421	36%	0.362	S	S	.	.			trans	-90.3	-15.3	173.2	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.37Å; A260-T264 WeakPolarHBondContact CB-O 3.24Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.83Å
261	G	93.1	Very high	96.2	Very high	79 Å²	79	58.3 Å²	58.3	81%	0.814	32%	0.321	S	S	*	.	S	Bend	trans	95	-4.1	179.8	0	0	0	0	0	114.6
262	D	92.6	Very high	96.6	Very high	110 Å²	110	56.3 Å²	56.3	59%	0.588	31%	0.312	S	S	*	.	S	Bend	trans	-117.3	32.7	180	64.9	-5.3	0	0	0	111.8	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.37Å; D262-T264 PolarHBondContact O-N 2.78Å; D262-T264 WeakPolarHBondContact OD1-CB 3.35Å; D262-T264 PolarHBondContact OD1-N 2.88Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.31Å
263	R	92.1	Very high	96.7	Very high	60 Å²	60	55.2 Å²	55.2	23%	0.226	31%	0.306	C	S	.	.	S	Bend	trans	73.4	-21.6	-169.3	-177.7	-175.5	171.3	-141.1	-12.4	115	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.81Å; T202-R263 VanDerWaalsContact CA-NH1 3.3Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 VanDerWaalsContact O-CZ 3.32Å; T202-R263 PolarHBondContact O-NH1 3.07Å; T202-R263 PolarHBondContact O-NH2 2.92Å; Y233-R263 HydrophobicContact CD2-CG 3.92Å; Y233-R263 HydrophobicContact CE2-CG 4.13Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.3Å; R263-F265 WeakPolarHBondContact O-CE2 3.33Å
264	T	96.8	Very high	96.7	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.11	29%	0.294	C	S	.	.			trans	-84.7	167.7	-177.9	75.5	0	0	0	0	113	F232 A260 D262	F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.46Å; A260-T264 WeakPolarHBondContact CB-O 3.24Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.83Å; D262-T264 PolarHBondContact O-N 2.78Å; D262-T264 WeakPolarHBondContact OD1-CB 3.35Å; D262-T264 PolarHBondContact OD1-N 2.88Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.31Å
265	F	98.3	Very high	96.6	Very high	25 Å²	25	50.3 Å²	50.3	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	163.6	179.8	-64.7	-87.8	0	0	0	112	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 2.98Å; F232-F265 WeakPolarHBondContact CD1-O 3.28Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.19Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.97Å; F232-F265 PolarHBondContact O-N 3.25Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; Y233-F265 HydrophobicContact CE2-CE2 4.49Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.77Å; A235-F265 HydrophobicContact CB-CZ 3.63Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; R258-F265 WeakPolarHBondContact O-CA 3.19Å; P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.33Å
266	Q	98.3	Very high	96.4	Very high	46 Å²	46	51.9 Å²	51.9	22%	0.215	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.3	174.6	43.1	167.3	-19.7	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.31Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.24Å; R258-Q266 PolarHBondContact O-N 3.06Å
267	K	98.6	Very high	96.3	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.096	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.6	177.3	-162.2	-176.4	-170.9	69	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.64Å; A229-K267 PolarHBondContact O-N 2.88Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.15Å; I237-K267 HydrophobicContact CG2-CD 3.52Å; I237-K267 HydrophobicContact CG2-CG 4.49Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L254-K267 HydrophobicContact CD1-CD 4.45Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.19Å; V255-K267 PolarHBondContact O-NZ 3.16Å; T257-K267 WeakPolarHBondContact OG1-CD 3.17Å; T257-K267 PolarHBondContact OG1-NZ 3.45Å; T257-K267 VanDerWaalsContact OG1-NZ 3.14Å
268	W	98.3	Very high	96.2	Very high	25 Å²	25	45 Å²	45	10%	0.095	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.2	169.3	58.8	-98.3	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.38Å; C227-W268 WeakPolarHBondContact O-CB 3.16Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.81Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.39Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.41Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 2.85Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269	A	98.3	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.8	173.9	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.43Å; C227-A269 PolarHBondContact N-O 2.92Å; C227-A269 PolarHBondContact O-N 2.91Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 3.15Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.46Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270	A	97.9	Very high	96	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.017	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.3	179.8	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.33Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.5Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.83Å; E253-A270 PolarHBondContact O-N 3.2Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271	V	97.9	Very high	96.1	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.4	176	62.9	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 2.94Å; L225-V271 HydrophobicContact CB-CG1 4.22Å; L225-V271 PolarHBondContact N-O 3.37Å; L225-V271 PolarHBondContact O-N 3.21Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å
272	V	97.6	Very high	96.3	Very high	71 Å²	71	40.1 Å²	40.1	43%	0.43	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.4	171.4	-178.8	0	0	0	0	108.1	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 3.94Å; I218-V272 HydrophobicContact CD1-CG2 4.05Å; E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; A223-V272 WeakPolarHBondContact O-CA 3.47Å
273	V	96.6	Very high	96.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.6	-175.9	-51.8	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.25Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.41Å; A223-V273 PolarHBondContact O-N 3.3Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.5	Very high	96.9	Very high	45 Å²	45	33.8 Å²	33.8	29%	0.292	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	139.6	170.3	-20	32.2	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.6Å; H221-P274 WeakPolarHBondContact O-CA 3.06Å; P274-G276 PolarHBondContact O-N 3.5Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 WeakPolarHBondContact O-CB 3.1Å; P274-E277 PolarHBondContact O-N 3.16Å
275	S	93.1	Very high	96.9	Very high	57 Å²	57	33 Å²	33	40%	0.399	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127.1	175.5	-63.8	0	0	0	0	111	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.25Å; H221-S275 PolarHBondContact O-N 2.86Å; H221-S275 PolarHBondContact O-OG 3.33Å; E222-S275 PolarHBondContact N-OG 2.89Å; S275-E278 WeakPolarHBondContact CA-OE1 3.43Å
276	G	91.9	Very high	96.9	Very high	67 Å²	67	35.4 Å²	35.4	69%	0.691	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-6.3	-178.7	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.5Å; G276-E278 WeakPolarHBondContact CA-OE2 3.43Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.74Å; G276-E278 PolarHBondContact N-OE2 3.26Å
277	E	95.6	Very high	96.8	Very high	55 Å²	55	34.1 Å²	34.1	26%	0.257	19%	0.188	S	C	.	.			trans	-99.7	4.1	175.7	-65.4	-159.5	-154.2	0	0	113.6	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.73Å; R243-E277 IonicContact NE-OE2 2.96Å; R243-E277 IonicContact NH2-OE1 2.7Å; R243-E277 IonicContact NH2-OE2 3.7Å; R243-E277 PolarHBondContact NH2-OE2 2.87Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 WeakPolarHBondContact O-CB 3.1Å; P274-E277 PolarHBondContact O-N 3.16Å; E277-Q279 PolarHBondContact O-N 3.03Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.38Å; E277-R280 IonicContact OE1-NH1 3.5Å; E277-R280 IonicContact OE2-CZ 3.09Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.61Å; E277-R280 PolarHBondContact OE2-NH1 3.23Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.41Å
278	E	95.1	Very high	96.5	Very high	20 Å²	20	37 Å²	37	9%	0.093	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.5	-32.5	-170.8	-57.1	80.7	-177.1	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.53Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.43Å; G276-E278 WeakPolarHBondContact CA-OE2 3.43Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.74Å; G276-E278 PolarHBondContact N-OE2 3.26Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.12Å; E278-Y281 PolarHBondContact O-N 3.24Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; 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 3.7Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	95.2	Very high	96.3	Very high	95 Å²	95	36.8 Å²	36.8	44%	0.444	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-72.6	-15.7	-179.1	-63.1	-56.9	-46.7	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.03Å; Q279-R297 PolarHBondContact O-NE 3.3Å; Q279-W298 PolarHBondContact NE2-O 3.2Å
280	R	96.8	Very high	96.1	Very high	102 Å²	102	38 Å²	38	39%	0.385	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-76.4	-16.9	172.7	-63.5	174.2	68.6	178.4	5.2	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.39Å; D244-R280 PolarHBondContact N-O 2.88Å; D244-R280 IonicContact OD1-NE 3.39Å; D244-R280 PolarHBondContact OD1-NE 3.18Å; D244-R280 IonicContact OD2-CZ 2.76Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 3.26Å; D244-R280 IonicContact OD2-NH2 3.71Å; D244-R280 PolarHBondContact OD2-NH2 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.38Å; E277-R280 IonicContact OE1-NH1 3.5Å; E277-R280 IonicContact OE2-CZ 3.09Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.61Å; E277-R280 PolarHBondContact OE2-NH1 3.23Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.12Å
281	Y	97.6	Very high	95.9	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.027	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.1	-177.4	-69.3	-100.3	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.47Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.13Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.39Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.07Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.41Å; E278-Y281 PolarHBondContact O-N 3.24Å; E278-Y281 VanDerWaalsContact O-N 3.17Å
282	T	97.9	Very high	95.7	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132	176	47.3	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.38Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.12Å; Q242-T282 PolarHBondContact O-N 3.2Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; T282-T295 HydrophobicContact CG2-CG2 3.92Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.28Å; T282-R297 HydrophobicContact CG2-CG 3.64Å
283	C	98.1	Very high	95.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.2	169.9	174.7	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.23Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.88Å; T240-C283 CarbonylContact O-C 3.59Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; W241-C283 HydrophobicContact CD2-CB 4.17Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; C283-L296 HydrophobicContact CB-CB 4.32Å; C283-L296 PolarHBondContact N-O 2.9Å; C283-L296 PolarHBondContact O-N 3.09Å
284	H	97.8	Very high	95.6	Very high	37 Å²	37	53.9 Å²	53.9	17%	0.171	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.4	176.9	-65	-109.7	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.27Å; T240-H284 PolarHBondContact N-O 3.01Å; T240-H284 PolarHBondContact O-N 3.31Å; Q242-H284 PolarHBondContact OE1-NE2 2.77Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; H284-T295 PolarHBondContact ND1-OG1 3.21Å
285	V	98.1	Very high	95.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.7	-178.4	-174.8	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.12Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; I237-V285 HydrophobicContact CD1-CG1 3.92Å; I237-V285 HydrophobicContact CG1-CG1 4.23Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; V285-P293 WeakPolarHBondContact O-CA 3.44Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.95Å; V285-L294 PolarHBondContact O-N 2.89Å; V285-L296 HydrophobicContact CG2-CD1 3.77Å
286	Q	97.5	Very high	95.9	Very high	77 Å²	77	54.3 Å²	54.3	36%	0.36	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.8	173.8	-52.6	179.5	13.2	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; T238-Q286 PolarHBondContact N-O 3.21Å; T238-Q286 PolarHBondContact O-N 3.13Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	96	Very high	96	Very high	19 Å²	19	58.1 Å²	58.1	9%	0.088	29%	0.291	C	S	.	.			trans	-158.1	146.3	-177.8	-174.4	-97.4	0	0	0	108.8	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.02Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.07Å; F232-H287 AromaticContact CD2-CD2 3.82Å; F232-H287 AromaticContact CD2-NE2 3.68Å; Y233-H287 PolarHBondContact O-CE1 2.85Å; P234-H287 PolarHBondContact O-NE2 2.83Å; E236-H287 PolarHBondContact O-CD2 2.83Å; I237-H287 HydrophobicContact CD1-CB 4.35Å; I237-H287 HydrophobicContact CG1-CB 4.11Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 2.91Å; H287-G289 PolarHBondContact O-N 3.25Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.14Å; H287-L290 WeakPolarHBondContact O-CB 3.22Å; H287-L290 PolarHBondContact O-N 3.45Å
288	E	93.1	Very high	96.1	Very high	83 Å²	83	57.6 Å²	57.6	39%	0.388	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.4	-179.2	-175.3	-177.3	175.7	0	0	113	A206 P234 L290	A206-E288 HydrophobicContact CB-CB 4.5Å; A206-E288 HydrophobicContact CB-CG 4.32Å; P234-E288 WeakPolarHBondContact CG-OE2 3.34Å; E288-L290 PolarHBondContact O-N 3.06Å
289	G	93.5	Very high	95.8	Very high	19 Å²	19	64.7 Å²	64.7	20%	0.196	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.2	177.9	0	0	0	0	0	114	H287	H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 2.91Å; H287-G289 PolarHBondContact O-N 3.25Å
290	L	95.1	Very high	95.2	Very high	25 Å²	25	64 Å²	64	13%	0.131	32%	0.323	C	S	.	.			trans	-95.5	125.9	178.9	-65.7	171.2	0	0	0	110.9	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.92Å; P208-L290 HydrophobicContact CB-CG 4.47Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.14Å; H287-L290 WeakPolarHBondContact O-CB 3.22Å; H287-L290 PolarHBondContact O-N 3.45Å; E288-L290 PolarHBondContact O-N 3.06Å; L290-K292 WeakPolarHBondContact CB-O 3.27Å; L290-K292 PolarHBondContact O-N 2.88Å; L290-K292 VanDerWaalsContact O-N 3.17Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	P	93.2	Very high	93.5	Very high	135 Å²	135	64 Å²	64	88%	0.877	34%	0.339	S	S	*	.	S	Bend	trans	-66.7	-20.5	176.9	28.2	-35.5	0	0	0	112.8
292	K	93.4	Very high	91.1	Very high	152 Å²	152	69 Å²	69	66%	0.661	38%	0.375	S	S	*	.	S	Bend	trans	-151.6	150.2	172.5	61.7	-178.4	-179.2	178.6	0	109.2	L290	L290-K292 WeakPolarHBondContact CB-O 3.27Å; L290-K292 PolarHBondContact O-N 2.88Å; L290-K292 VanDerWaalsContact O-N 3.17Å
293	P	95.7	Very high	88.6	Confident	71 Å²	71	76.4 Å²	76.4	46%	0.461	41%	0.409	S	S	.	.			trans	-52.2	141.9	172.8	-27.8	36.1	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.44Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	96.6	Very high	85.8	Confident	53 Å²	53	80.7 Å²	80.7	28%	0.277	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144	174.5	-62.5	178.1	0	0	0	110.2	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.29Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.95Å; V285-L294 PolarHBondContact O-N 2.89Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L294-L296 HydrophobicContact CB-CD1 4.11Å
295	T	97.7	Very high	83.3	Confident	86 Å²	86	84.9 Å²	84.9	53%	0.528	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.3	170.6	-57.8	0	0	0	0	108.1	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.92Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; H284-T295 PolarHBondContact ND1-OG1 3.21Å
296	L	97.1	Very high	81.1	Confident	26 Å²	26	88.3 Å²	88.3	14%	0.136	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.4	-179	-61.6	100.9	0	0	0	110.6	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.41Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.49Å; V213-L296 HydrophobicContact CG2-CB 3.81Å; V213-L296 HydrophobicContact CG2-CD2 4.49Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.28Å; C283-L296 HydrophobicContact CB-CB 4.32Å; C283-L296 PolarHBondContact N-O 2.9Å; C283-L296 PolarHBondContact O-N 3.09Å; V285-L296 HydrophobicContact CG2-CD1 3.77Å; L294-L296 HydrophobicContact CB-CD1 4.11Å
297	R	96.1	Very high	79	Confident	146 Å²	146	88.5 Å²	88.5	55%	0.551	50%	0.496	S	S	*	.			trans	-116.4	163	163.7	-71.3	-173.2	176.9	135.8	2	109	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.3Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; R297-E299 PolarHBondContact O-N 3.2Å
298	W	95.9	Very high	77.2	Confident	45 Å²	45	93.5 Å²	93.5	17%	0.17	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-68.9	120.2	166.6	171.9	56.2	0	0	0	109.8	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.05Å; H215-W298 VanDerWaalsContact CB-CE2 3.47Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 3.95Å; H215-W298 AromaticContact CG-CE2 3.72Å; H215-W298 AromaticContact CG-CZ2 3.73Å; H215-W298 AromaticContact ND1-CZ2 3.85Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.95Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; 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 3.7Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3.2Å; W298-P300 HydrophobicContact CE3-CG 4.36Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.08Å
299	E	89.7	Confident	75.6	Confident	168 Å²	168	95.2 Å²	95.2	79%	0.785	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-97.3	118.3	167.7	-71	-178.9	176.1	0	0	108	R297 S301	R297-E299 PolarHBondContact O-N 3.2Å; E299-S301 PolarHBondContact O-N 3.33Å
300	P	82.4	Confident	74.2	Confident	81 Å²	81	96.3 Å²	96.3	53%	0.526	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-56.1	119.4	169.7	-18.5	29.3	0	0	0	107	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.36Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 3.98Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.08Å; P300-S302 PolarHBondContact O-N 3.14Å
301	S	61.9	Low	73	Confident	101 Å²	101	99.8 Å²	99.8	71%	0.706	57%	0.567	S	S	*	*			trans	-52.4	113.9	-179.4	33.5	0	0	0	0	108.3	E299 Q303	E299-S301 PolarHBondContact O-N 3.33Å; S301-Q303 PolarHBondContact O-N 3.26Å
302	S	46.1	Very low	72	Confident	112 Å²	112	97.6 Å²	97.6	78%	0.783	55%	0.551	S	S	*	*			trans	-67.7	77.7	158.6	60.6	0	0	0	0	105.6	P300 S304	P300-S302 PolarHBondContact O-N 3.14Å; S302-S304 PolarHBondContact O-N 2.86Å
303	Q	44.6	Very low	71.1	Confident	168 Å²	168	92.8 Å²	92.8	79%	0.785	54%	0.54	S	S	*	.			trans	-56.3	92.2	145.7	-83.3	-172.3	-10.4	0	0	103.5	S301 T305	S301-Q303 PolarHBondContact O-N 3.26Å; Q303-T305 PolarHBondContact O-N 3.43Å
304	S	40.8	Very low	70.3	Confident	91 Å²	91	91.1 Å²	91.1	64%	0.636	54%	0.535	S	S	*	.			trans	-57	96.1	168.9	174.7	0	0	0	0	104	S302 V306	S302-S304 PolarHBondContact O-N 2.86Å; S304-V306 PolarHBondContact O-N 2.82Å; S304-V306 VanDerWaalsContact OG-CG2 3.26Å; S304-V306 WeakPolarHBondContact OG-CG2 3.49Å
305	T	45.6	Very low	69.6	Low	125 Å²	125	93.9 Å²	93.9	77%	0.767	55%	0.55	S	S	*	.			trans	-63.8	70	155.8	-44.1	0	0	0	0	104.8	Q303 P307	Q303-T305 PolarHBondContact O-N 3.43Å; T305-P307 WeakPolarHBondContact O-CD 3.17Å; T305-P307 VanDerWaalsContact O-N 3.09Å
306	V	51.8	Low	68.9	Low	72 Å²	72	92.4 Å²	92.4	44%	0.436	55%	0.546	S	S	.	.			trans	-48.8	120.7	153.1	-179	0	0	0	0	102.3	S304 I308 I311	S304-V306 PolarHBondContact O-N 2.82Å; S304-V306 VanDerWaalsContact OG-CG2 3.26Å; S304-V306 WeakPolarHBondContact OG-CG2 3.49Å; V306-I308 PolarHBondContact O-N 2.87Å; V306-I311 HydrophobicContact CG1-CD1 4.09Å
307	P	52.7	Low	68.2	Low	81 Å²	81	95.6 Å²	95.6	53%	0.526	57%	0.566	S	S	.	*			trans	-70.5	86.3	-174.5	28.3	-32.1	0	0	0	106.2	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.17Å; T305-P307 VanDerWaalsContact O-N 3.09Å; P307-V309 PolarHBondContact O-N 3.14Å; P307-V309 VanDerWaalsContact O-N 3.13Å; P307-G310 WeakPolarHBondContact O-CA 3.13Å; P307-G310 PolarHBondContact O-N 3.27Å; P307-I311 PolarHBondContact O-N 3.18Å
308	I	59.3	Low	67.6	Low	124 Å²	124	93.8 Å²	93.8	64%	0.636	57%	0.567	S	S	*	*	H	α-helix	trans	-53.4	-33.1	172.9	-67.3	168.3	0	0	0	107.8	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 2.87Å; I308-G310 PolarHBondContact O-N 3.06Å; I308-I311 PolarHBondContact O-N 3.05Å; I308-V312 HydrophobicContact CG2-CG2 4.25Å; I308-V312 WeakPolarHBondContact O-CB 3.36Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 3.34Å
309	V	57.8	Low	67	Low	118 Å²	118	94 Å²	94	72%	0.715	58%	0.578	S	S	*	*	H	α-helix	trans	-58.4	-41	171	-176	0	0	0	0	112.9	P307 A313	P307-V309 PolarHBondContact O-N 3.14Å; P307-V309 VanDerWaalsContact O-N 3.13Å; V309-A313 WeakPolarHBondContact O-CB 3.49Å; V309-A313 PolarHBondContact O-N 3.18Å
310	G	63.9	Low	66.7	Low	43 Å²	43	91 Å²	91	44%	0.443	57%	0.571	S	S	.	*	H	α-helix	trans	-70	-37.9	179.1	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.13Å; P307-G310 PolarHBondContact O-N 3.27Å; I308-G310 PolarHBondContact O-N 3.06Å; G310-G314 PolarHBondContact O-N 2.98Å
311	I	70.9	Confident	66.9	Low	98 Å²	98	91.5 Å²	91.5	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-70	-43.5	175.9	-61.7	174.4	0	0	0	110.4	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 4.09Å; P307-I311 PolarHBondContact O-N 3.18Å; I308-I311 PolarHBondContact O-N 3.05Å; I311-G314 PolarHBondContact O-N 2.92Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.1Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.99Å
312	V	72.8	Confident	67.9	Low	89 Å²	89	90.6 Å²	90.6	54%	0.539	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-42.9	177.9	172.7	0	0	0	0	111.4	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.25Å; I308-V312 WeakPolarHBondContact O-CB 3.36Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 3.34Å; V312-L315 PolarHBondContact O-N 2.81Å; V312-A316 WeakPolarHBondContact O-CB 3.34Å; V312-A316 PolarHBondContact O-N 3Å
313	A	72.9	Confident	69.6	Low	51 Å²	51	90.5 Å²	90.5	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-63.5	-43	175	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.49Å; V309-A313 PolarHBondContact O-N 3.18Å; A313-A316 PolarHBondContact O-N 3.4Å; A313-V317 WeakPolarHBondContact O-CG2 3.49Å; A313-V317 PolarHBondContact O-N 3.04Å
314	G	79.4	Confident	71.4	Confident	36 Å²	36	84.4 Å²	84.4	37%	0.371	54%	0.535	S	S	.	.	H	α-helix	trans	-60.7	-44.7	176.2	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.98Å; I311-G314 PolarHBondContact O-N 2.92Å; G314-V317 PolarHBondContact O-N 3.49Å; G314-L318 WeakPolarHBondContact O-CB 3.43Å; G314-L318 PolarHBondContact O-N 2.73Å
315	L	83.1	Confident	73.3	Confident	111 Å²	111	83 Å²	83	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-66.5	-38.4	177.1	-73.6	170.9	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.1Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.99Å; V312-L315 PolarHBondContact O-N 2.81Å; L315-L318 PolarHBondContact O-N 3.01Å; L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3Å
316	A	81.3	Confident	75	Confident	54 Å²	54	81.1 Å²	81.1	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-43.2	176.4	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.34Å; V312-A316 PolarHBondContact O-N 3Å; A313-A316 PolarHBondContact O-N 3.4Å; A316-A319 PolarHBondContact O-N 2.98Å; A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.12Å
317	V	83.3	Confident	76.4	Confident	93 Å²	93	81.4 Å²	81.4	56%	0.564	52%	0.518	S	S	*	.	H	α-helix	trans	-63.7	-44.5	176.2	174.1	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.49Å; A313-V317 PolarHBondContact O-N 3.04Å; G314-V317 PolarHBondContact O-N 3.49Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.47Å; V317-V320 PolarHBondContact O-N 2.83Å; V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.33Å; V317-V321 PolarHBondContact O-N 2.83Å
318	L	83.9	Confident	77.4	Confident	109 Å²	109	80 Å²	80	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-59	-44.1	175.8	-105	156.3	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.43Å; G314-L318 PolarHBondContact O-N 2.73Å; L315-L318 PolarHBondContact O-N 3.01Å; L318-V320 PolarHBondContact O-N 3.34Å; L318-V321 PolarHBondContact O-N 3.04Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.36Å; L318-V322 PolarHBondContact O-N 3.47Å
319	A	82.7	Confident	78.1	Confident	49 Å²	49	76.7 Å²	76.7	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-43.6	177.4	0	0	0	0	0	112	L315 A316 V317 V321 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3Å; A316-A319 PolarHBondContact O-N 2.98Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.47Å; A319-V321 PolarHBondContact O-N 2.94Å; A319-V322 PolarHBondContact O-N 2.87Å; A319-I323 WeakPolarHBondContact O-CB 3.46Å; A319-I323 WeakPolarHBondContact O-CD1 3.49Å; A319-I323 WeakPolarHBondContact O-CG1 3.5Å; A319-I323 PolarHBondContact O-N 2.9Å
320	V	84	Confident	78.9	Confident	104 Å²	104	75 Å²	75	63%	0.63	49%	0.494	S	S	*	.	H	α-helix	trans	-63.4	-42.3	177.3	173.4	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 2.83Å; L318-V320 PolarHBondContact O-N 3.34Å; V320-I323 PolarHBondContact O-N 3.31Å; V320-G324 PolarHBondContact O-N 3.01Å
321	V	85.8	Confident	79.3	Confident	92 Å²	92	79.2 Å²	79.2	56%	0.558	50%	0.504	S	S	*	.	H	α-helix	trans	-64	-44	177.8	172.5	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.33Å; V317-V321 PolarHBondContact O-N 2.83Å; L318-V321 PolarHBondContact O-N 3.04Å; A319-V321 PolarHBondContact O-N 2.94Å; V321-G324 PolarHBondContact O-N 3.26Å; V321-A325 WeakPolarHBondContact O-CB 3.45Å; V321-A325 PolarHBondContact O-N 3.17Å
322	V	83.8	Confident	79	Confident	82 Å²	82	78.8 Å²	78.8	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-45.2	178.6	172.5	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.36Å; L318-V322 PolarHBondContact O-N 3.47Å; A319-V322 PolarHBondContact O-N 2.87Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.24Å; V322-A325 PolarHBondContact O-N 3.05Å; V322-V326 HydrophobicContact CG1-CG2 4.43Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.46Å; V322-V326 PolarHBondContact O-N 3.47Å
323	I	82.3	Confident	78.6	Confident	111 Å²	111	84.1 Å²	84.1	57%	0.569	52%	0.519	S	S	*	.	H	α-helix	trans	-61.3	-44.9	176.6	-67.1	165.8	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.46Å; A319-I323 WeakPolarHBondContact O-CD1 3.49Å; A319-I323 WeakPolarHBondContact O-CG1 3.5Å; A319-I323 PolarHBondContact O-N 2.9Å; V320-I323 PolarHBondContact O-N 3.31Å; I323-A325 PolarHBondContact O-N 3.39Å; I323-V326 PolarHBondContact O-N 2.77Å; I323-V327 HydrophobicContact CG2-CG2 4.4Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.17Å; I323-V327 PolarHBondContact O-N 3.16Å
324	G	81.8	Confident	77.8	Confident	40 Å²	40	91.7 Å²	91.7	41%	0.412	54%	0.537	S	S	.	.	H	α-helix	trans	-59	-44.4	176.1	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.01Å; V321-G324 PolarHBondContact O-N 3.26Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.24Å; G324-V327 PolarHBondContact O-N 2.63Å; G324-A328 WeakPolarHBondContact O-CB 3.16Å; G324-A328 PolarHBondContact O-N 3.05Å
325	A	80.4	Confident	76.5	Confident	61 Å²	61	99.1 Å²	99.1	50%	0.504	56%	0.559	S	S	.	*	H	α-helix	trans	-65	-41.6	177.4	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.45Å; V321-A325 PolarHBondContact O-N 3.17Å; V322-A325 PolarHBondContact O-N 3.05Å; I323-A325 PolarHBondContact O-N 3.39Å; A325-A328 PolarHBondContact O-N 2.89Å; A325-A329 WeakPolarHBondContact O-CB 3.4Å; A325-A329 PolarHBondContact O-N 3.01Å
326	V	81.8	Confident	75.1	Confident	85 Å²	85	98.3 Å²	98.3	52%	0.515	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-45.4	176.5	171.8	0	0	0	0	110.8	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.43Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.46Å; V322-V326 PolarHBondContact O-N 3.47Å; I323-V326 PolarHBondContact O-N 2.77Å; V326-A328 PolarHBondContact O-N 3.39Å; V326-A329 PolarHBondContact O-N 3.18Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.42Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.38Å; V326-V330 PolarHBondContact O-N 2.89Å
327	V	79.6	Confident	73.6	Confident	79 Å²	79	100.3 Å²	100.3	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-61.7	-44.8	177.1	172.7	0	0	0	0	110.9	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.4Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.17Å; I323-V327 PolarHBondContact O-N 3.16Å; G324-V327 PolarHBondContact O-N 2.63Å; V327-A329 PolarHBondContact O-N 3.37Å; V327-V330 PolarHBondContact O-N 2.69Å; V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.21Å; V327-M331 WeakPolarHBondContact O-CB 3.41Å; V327-M331 WeakPolarHBondContact O-CG 3.21Å; V327-M331 PolarHBondContact O-N 3.42Å
328	A	74.9	Confident	71.9	Confident	52 Å²	52	99.4 Å²	99.4	43%	0.43	58%	0.583	S	S	.	*	H	α-helix	trans	-62.1	-41.9	177.1	0	0	0	0	0	112.4	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.16Å; G324-A328 PolarHBondContact O-N 3.05Å; A325-A328 PolarHBondContact O-N 2.89Å; V326-A328 PolarHBondContact O-N 3.39Å; A328-M331 PolarHBondContact O-N 2.88Å; A328-C332 WeakPolarHBondContact O-CB 3.23Å; A328-C332 PolarHBondContact O-N 2.74Å; A328-C332 PolarHBondContact O-SG 2.89Å
329	A	74.5	Confident	69.8	Low	54 Å²	54	97.6 Å²	97.6	45%	0.446	59%	0.59	S	S	.	*	H	α-helix	trans	-66	-41.5	176.7	0	0	0	0	0	112.4	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.4Å; A325-A329 PolarHBondContact O-N 3.01Å; V326-A329 PolarHBondContact O-N 3.18Å; V327-A329 PolarHBondContact O-N 3.37Å; A329-C332 PolarHBondContact O-N 2.91Å; A329-R333 WeakPolarHBondContact O-CB 3.27Å; A329-R333 PolarHBondContact O-N 3.26Å
330	V	73.6	Confident	67.6	Low	82 Å²	82	105.8 Å²	105.8	50%	0.497	62%	0.617	S	S	.	*	H	α-helix	trans	-65.3	-41.4	175.8	170.4	0	0	0	0	111	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.42Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.38Å; V326-V330 PolarHBondContact O-N 2.89Å; V327-V330 PolarHBondContact O-N 2.69Å; V330-R333 PolarHBondContact O-N 3.07Å; V330-R334 WeakPolarHBondContact O-CB 3.27Å; V330-R334 PolarHBondContact O-N 2.96Å
331	M	72.4	Confident	65.3	Low	132 Å²	132	104.6 Å²	104.6	65%	0.65	63%	0.626	S	S	*	*	H	α-helix	trans	-65.2	-40.1	175.1	-73.8	-174.6	68.8	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.21Å; V327-M331 WeakPolarHBondContact O-CB 3.41Å; V327-M331 WeakPolarHBondContact O-CG 3.21Å; V327-M331 PolarHBondContact O-N 3.42Å; A328-M331 PolarHBondContact O-N 2.88Å; M331-R334 PolarHBondContact O-N 3.17Å; M331-K335 WeakPolarHBondContact O-CB 3.33Å; M331-K335 PolarHBondContact O-N 3.42Å
332	C	65.8	Low	62.8	Low	89 Å²	89	104.2 Å²	104.2	60%	0.601	64%	0.641	S	S	*	*	H	α-helix	trans	-63.1	-43	173.6	-72	0	0	0	0	111.6	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.23Å; A328-C332 PolarHBondContact O-N 2.74Å; A328-C332 PolarHBondContact O-SG 2.89Å; A329-C332 PolarHBondContact O-N 2.91Å; C332-K335 PolarHBondContact O-N 3.27Å; C332-S336 PolarHBondContact O-N 3.29Å; C332-S336 VanDerWaalsContact O-N 3.12Å; C332-S336 PolarHBondContact O-OG 3.3Å
333	R	63.7	Low	60.4	Low	200 Å²	200	105.9 Å²	105.9	76%	0.755	66%	0.656	S	S	*	*	H	α-helix	trans	-65.1	-37.9	176.2	-82.3	-171	167.4	-176.7	-2.5	113.2	A329 V330 K335 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.27Å; A329-R333 PolarHBondContact O-N 3.26Å; V330-R333 PolarHBondContact O-N 3.07Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 2.75Å; R333-S336 WeakPolarHBondContact CA-OG 3.46Å; R333-S336 PolarHBondContact O-N 2.98Å; R333-S336 PolarHBondContact O-OG 2.72Å; R333-S337 PolarHBondContact O-N 3.32Å
334	R	56.4	Low	58.1	Low	210 Å²	210	110.7 Å²	110.7	79%	0.792	67%	0.668	S	S	*	*	H	α-helix	trans	-67.1	-28.8	174	-107.4	-175.9	172.1	179.6	-1.6	112.9	V330 M331	V330-R334 WeakPolarHBondContact O-CB 3.27Å; V330-R334 PolarHBondContact O-N 2.96Å; M331-R334 PolarHBondContact O-N 3.17Å
335	K	51.8	Low	55.9	Low	192 Å²	192	114.8 Å²	114.8	84%	0.835	69%	0.691	S	S	*	*	H	α-helix	trans	-79.5	-23.7	176.7	-162.1	169.2	-179.4	177.7	0	112.8	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.33Å; M331-K335 PolarHBondContact O-N 3.42Å; C332-K335 PolarHBondContact O-N 3.27Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 2.75Å
336	S	53	Low	53.8	Low	95 Å²	95	120.4 Å²	120.4	66%	0.664	71%	0.706	S	S	*	*	H	α-helix	trans	-89.6	-11.9	176.9	54.2	0	0	0	0	115.2	C332 R333 G338	C332-S336 PolarHBondContact O-N 3.29Å; C332-S336 VanDerWaalsContact O-N 3.12Å; C332-S336 PolarHBondContact O-OG 3.3Å; R333-S336 WeakPolarHBondContact CA-OG 3.46Å; R333-S336 PolarHBondContact O-N 2.98Å; R333-S336 PolarHBondContact O-OG 2.72Å; S336-G338 VanDerWaalsContact C-N 3.34Å; S336-G338 PolarHBondContact O-N 2.73Å
337	S	50	Low	51.5	Low	95 Å²	95	121.2 Å²	121.2	66%	0.664	72%	0.722	S	S	*	*	S	Bend	trans	-94.8	29.1	-177.4	71.4	0	0	0	0	114.2	R333	R333-S337 PolarHBondContact O-N 3.32Å
338	G	46.9	Very low	49.3	Very low	75 Å²	75	121.9 Å²	121.9	77%	0.773	74%	0.736	S	S	*	*	S	Bend	trans	-119	74	176	0	0	0	0	0	112.1	S336	S336-G338 VanDerWaalsContact C-N 3.34Å; S336-G338 PolarHBondContact O-N 2.73Å
339	G	40.9	Very low	47.4	Very low	70 Å²	70	124.3 Å²	124.3	72%	0.722	75%	0.748	S	S	*	*			trans	148.1	120.6	157.9	0	0	0	0	0	118.3
340	K	35.9	Very low	45.5	Very low	222 Å²	222	127.5 Å²	127.5	97%	0.965	77%	0.767	S	S	*	*			trans	70.2	136	157.1	-73.3	163.3	172	169.8	0	116.8
341	G	35.7	Very low	43.8	Very low	79 Å²	79	130.7 Å²	130.7	81%	0.814	78%	0.782	S	S	*	*			cis	134.5	114.3	11.4	0	0	0	0	0	109.8
342	G	33.8	Very low	42.5	Very low	84 Å²	84	130.4 Å²	130.4	87%	0.866	79%	0.793	S	S	*	*			trans	90.2	118.8	145.7	0	0	0	0	0	122.1
343	S	32.6	Very low	41.2	Very low	116 Å²	116	130.8 Å²	130.8	81%	0.811	80%	0.802	S	S	*	*				104	116.6	128.5	-159.4	0	0	0	0	122.3
344	Y	35.1	Very low	40.2	Very low	212 Å²	212	131 Å²	131	83%	0.831	81%	0.812	S	S	*	*			trans	0.1	139.3	151.4	-80	-95	0	0	0	122.3
345	S	35.3	Very low	39.2	Very low	127 Å²	127	124.1 Å²	124.1	89%	0.888	81%	0.806	S	S	*	*			trans	-148.3	133.2	133.6	-48.3	0	0	0	0	110.2
346	Q	36.2	Very low	38.7	Very low	178 Å²	178	120.3 Å²	120.3	83%	0.832	80%	0.804	S	S	*	*			trans	-100.5	141	-179.1	177.6	179.2	2.1	0	0	109.7
347	A	32.9	Very low	38	Very low	103 Å²	103	123.2 Å²	123.2	85%	0.851	81%	0.812	S	S	*	*			trans	-153.6	119	155	0	0	0	0	0	110.1
348	A	34.6	Very low	37.5	Very low	92 Å²	92	124.2 Å²	124.2	76%	0.76	81%	0.814	S	S	*	*			trans	-76.4	166.8	167.4	0	0	0	0	0	109.9
349	C	33.8	Very low	37.3	Very low	103 Å²	103	125.2 Å²	125.2	70%	0.696	81%	0.808	S	S	*	*			cis	-175.4	146.5	-11.2	176	0	0	0	0	104.2
350	S	35.2	Very low	37.2	Very low	121 Å²	121	129.3 Å²	129.3	85%	0.846	81%	0.813	S	S	*	*			trans	-156.8	128.5	147	-40.2	0	0	0	0	110.6
351	D	38.4	Very low	37.3	Very low	150 Å²	150	125.1 Å²	125.1	80%	0.802	81%	0.806	S	S	*	*			trans	-58.3	154.2	176.6	-68.1	-55.7	0	0	0	115.2
352	S	43.7	Very low	37.7	Very low	126 Å²	126	129.5 Å²	129.5	88%	0.881	84%	0.835	S	S	*	*				-165	129.7	125.5	-71.6	0	0	0	0	110
353	A	39.8	Very low	37.9	Very low	96 Å²	96	131.8 Å²	131.8	79%	0.793	83%	0.833	S	S	*	*			trans	-84.6	147.6	-177.7	0	0	0	0	0	113.3
354	Q	42.6	Very low	38.2	Very low	206 Å²	206	132.6 Å²	132.6	96%	0.963	84%	0.835	S	S	*	*			trans	162	128	148.4	-99.1	174.8	-1.1	0	0	106.2
355	G	35	Very low	38.3	Very low	65 Å²	65	128.2 Å²	128.2	67%	0.67	84%	0.835	S	S	*	*			cis	158.1	135.6	6	0	0	0	0	0	106.2
356	S	40.8	Very low	38.5	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	83%	0.832	S	S	*	*			trans	68.7	112.7	154.4	-47.4	0	0	0	0	117.8
357	D	39.9	Very low	38.7	Very low	155 Å²	155	125.2 Å²	125.2	83%	0.829	83%	0.832	S	S	*	*				65.2	134.6	88.1	-77	-18.9	0	0	0	111.9
358	V	38.8	Very low	39.1	Very low	117 Å²	117	126.7 Å²	126.7	71%	0.709	83%	0.83	S	S	*	*			cis	-177.4	150.6	18.3	114.1	0	0	0	0	107.6
359	S	41.7	Very low	39.4	Very low	95 Å²	95	129.1 Å²	129.1	66%	0.664	84%	0.835	S	S	*	*			trans	64.9	118.8	146	-52.6	0	0	0	0	124.2
360	L	40.7	Very low	39.8	Very low	157 Å²	157	131.2 Å²	131.2	82%	0.822	85%	0.846	S	S	*	*				20.6	125.3	110.2	-76.1	155	0	0	0	117.3
361	T	36.8	Very low	40.2	Very low	134 Å²	134	132 Å²	132	82%	0.822	85%	0.846	S	S	*	*				-175.2	150.7	97.2	7.3	0	0	0	0	112.4
362	A	44.3	Very low	40.3	Very low	171 Å²	171	130.4 Å²	130.4	100%	1.413	85%	0.85	S	S	*	*			trans	42.8	0	143.4	0	0	0	0	0	120.6

Retrieved 362 of 362 residues in 83.9 ms (Link to these results)

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