A0A090KKF6_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KKF6, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	44	Very low	237 Å²	237	142.5 Å²	142.5	100%	1.167	71%	0.712	S	S	*	*				0	122.6	0	-74.5	156.4	153.3	0	0	108.3
2	R	35.8	Very low	44	Very low	253 Å²	253	141.4 Å²	141.4	96%	0.955	71%	0.71	S	S	*	*			trans	-82.7	112.4	166.1	-92.8	-178.5	170.6	165.5	-3.3	107.2	M4	R2-M4 PolarHBondContact O-N 3.31Å; R2-M4 VanDerWaalsContact O-N 3.14Å
3	V	39.3	Very low	43.6	Very low	140 Å²	140	138.5 Å²	138.5	85%	0.848	70%	0.697	S	S	*	*			trans	-72.4	104.8	170.9	179.4	0	0	0	0	107	A5	V3-A5 PolarHBondContact O-N 3.27Å
4	M	41.6	Very low	43.6	Very low	177 Å²	177	133.4 Å²	133.4	87%	0.872	68%	0.68	S	S	*	*			trans	-84	96.8	178.3	-167.8	169.7	69.3	0	0	107.8	R2	R2-M4 PolarHBondContact O-N 3.31Å; R2-M4 VanDerWaalsContact O-N 3.14Å
5	A	46.5	Very low	43.5	Very low	53 Å²	53	126.7 Å²	126.7	44%	0.438	66%	0.658	S	S	.	*			trans	-56.6	134.2	175	0	0	0	0	0	109.7	V3 R7	V3-A5 PolarHBondContact O-N 3.27Å; A5-R7 PolarHBondContact O-N 3.33Å
6	P	46	Very low	43.3	Very low	76 Å²	76	122 Å²	122	49%	0.494	64%	0.643	S	S	.	*			trans	-65.4	130.1	-176.2	23.1	-29.4	0	0	0	110.1	T8 L9	P6-T8 PolarHBondContact O-N 3.28Å; P6-L9 HydrophobicContact CG-CB 4.27Å; P6-L9 WeakPolarHBondContact O-CB 3.33Å; P6-L9 PolarHBondContact O-N 3.5Å
7	R	49.7	Very low	42.7	Very low	218 Å²	218	121.2 Å²	121.2	82%	0.823	64%	0.639	S	S	*	*	H	α-helix	trans	-54.7	-27.8	-176.1	-80.8	176.7	162.6	149.2	-7.4	113.7	A5 I10 L11	A5-R7 PolarHBondContact O-N 3.33Å; R7-I10 PolarHBondContact O-N 2.88Å; R7-L11 PolarHBondContact O-N 3.43Å; R7-L11 VanDerWaalsContact O-N 3.16Å
8	T	49.8	Very low	42.4	Very low	96 Å²	96	117.5 Å²	117.5	59%	0.589	63%	0.628	S	S	*	*	H	α-helix	trans	-63.4	-35.8	173.6	37.1	0	0	0	0	113.5	P6 L12	P6-T8 PolarHBondContact O-N 3.28Å; T8-L12 WeakPolarHBondContact O-CG 3.48Å; T8-L12 PolarHBondContact O-N 2.87Å; T8-L12 VanDerWaalsContact O-N 3.11Å
9	L	42.9	Very low	42.1	Very low	100 Å²	100	115.9 Å²	115.9	52%	0.524	62%	0.619	S	S	.	*	H	α-helix	trans	-69.4	-37	177.9	-140.6	88.3	0	0	0	111.6	P6 L13	P6-L9 HydrophobicContact CG-CB 4.27Å; P6-L9 WeakPolarHBondContact O-CB 3.33Å; P6-L9 PolarHBondContact O-N 3.5Å; L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.48Å
10	I	47.6	Very low	41.9	Very low	94 Å²	94	114.7 Å²	114.7	48%	0.482	62%	0.616	S	S	.	*	H	α-helix	trans	-67.4	-43.7	178.3	-62.8	172	0	0	0	109.9	R7 L13 S14	R7-I10 PolarHBondContact O-N 2.88Å; I10-L13 PolarHBondContact O-N 2.87Å; I10-S14 PolarHBondContact O-N 2.87Å; I10-S14 PolarHBondContact O-OG 3.36Å
11	L	50.4	Low	41.6	Very low	123 Å²	123	116.9 Å²	116.9	64%	0.644	62%	0.623	S	S	*	*	H	α-helix	trans	-63.7	-40.7	176.6	-74.1	166.3	0	0	0	113	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.43Å; R7-L11 VanDerWaalsContact O-N 3.16Å; L11-S14 PolarHBondContact O-N 3.36Å; L11-G15 PolarHBondContact O-N 3.35Å
12	L	44.3	Very low	42	Very low	130 Å²	130	110.8 Å²	110.8	68%	0.681	60%	0.599	S	S	*	*	H	α-helix	trans	-64.1	-40.8	175	-75	166.4	0	0	0	112	T8 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.48Å; T8-L12 PolarHBondContact O-N 2.87Å; T8-L12 VanDerWaalsContact O-N 3.11Å; L12-G15 PolarHBondContact O-N 3.37Å; L12-A16 WeakPolarHBondContact O-CB 3.42Å; L12-A16 PolarHBondContact O-N 2.7Å
13	L	38.8	Very low	42.7	Very low	104 Å²	104	102.4 Å²	102.4	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-66.9	-35.2	173.7	-75.8	163.7	0	0	0	112.5	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.48Å; I10-L13 PolarHBondContact O-N 2.87Å; L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 2.93Å
14	S	42.7	Very low	43.4	Very low	66 Å²	66	97.8 Å²	97.8	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-42.2	174	-57.7	0	0	0	0	112.4	I10 L11 A18	I10-S14 PolarHBondContact O-N 2.87Å; I10-S14 PolarHBondContact O-OG 3.36Å; L11-S14 PolarHBondContact O-N 3.36Å; S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.35Å
15	G	42.7	Very low	44.8	Very low	34 Å²	34	92.3 Å²	92.3	35%	0.351	52%	0.522	S	S	.	.	H	α-helix	trans	-64.5	-44	174.9	0	0	0	0	0	112.3	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.35Å; L12-G15 PolarHBondContact O-N 3.37Å; G15-A18 PolarHBondContact O-N 2.89Å; G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 PolarHBondContact O-N 3.45Å
16	A	39.7	Very low	46.9	Very low	51 Å²	51	93.1 Å²	93.1	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-41.4	176	0	0	0	0	0	112.6	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.42Å; L12-A16 PolarHBondContact O-N 2.7Å; A16-L19 PolarHBondContact O-N 2.9Å; A16-T20 WeakPolarHBondContact O-CG2 3.36Å; A16-T20 PolarHBondContact O-N 2.91Å; A16-T20 PolarHBondContact O-OG1 3.06Å
17	L	34	Very low	49.3	Very low	109 Å²	109	91 Å²	91	57%	0.571	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-43.3	176.9	-80.4	164.2	0	0	0	112.1	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 2.93Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.46Å; L17-T20 PolarHBondContact O-N 3.48Å; L17-T20 VanDerWaalsContact O-N 3.12Å; L17-T20 PolarHBondContact O-OG1 3.42Å; L17-E21 PolarHBondContact O-N 2.91Å
18	A	37.2	Very low	51.5	Low	54 Å²	54	81.8 Å²	81.8	45%	0.446	48%	0.477	S	S	.	.	H	α-helix	trans	-61.9	-39.3	174.1	0	0	0	0	0	112.2	S14 G15 T20 E21 T22	S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.35Å; G15-A18 PolarHBondContact O-N 2.89Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.4Å; A18-E21 PolarHBondContact O-N 3.5Å; A18-T22 PolarHBondContact O-N 3.37Å; A18-T22 PolarHBondContact O-OG1 2.91Å
19	L	37.3	Very low	53.8	Low	87 Å²	87	77.2 Å²	77.2	46%	0.455	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-27.3	173	-89.2	157.5	0	0	0	113.5	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.45Å; G15-L19 PolarHBondContact O-N 3.45Å; A16-L19 PolarHBondContact O-N 2.9Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.3Å; L19-T22 PolarHBondContact O-OG1 2.91Å
20	T	36.9	Very low	56.5	Low	91 Å²	91	74.8 Å²	74.8	56%	0.558	43%	0.433	S	S	*	.	H	α-helix	trans	-84.1	-28.9	174.7	51.7	0	0	0	0	113.8	A16 L17 A18	A16-T20 WeakPolarHBondContact O-CG2 3.36Å; A16-T20 PolarHBondContact O-N 2.91Å; A16-T20 PolarHBondContact O-OG1 3.06Å; L17-T20 WeakPolarHBondContact CA-OG1 3.46Å; L17-T20 PolarHBondContact O-N 3.48Å; L17-T20 VanDerWaalsContact O-N 3.12Å; L17-T20 PolarHBondContact O-OG1 3.42Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.4Å
21	E	36.6	Very low	58.9	Low	161 Å²	161	70.6 Å²	70.6	75%	0.752	41%	0.411	S	S	*	.	H	α-helix	trans	-72.4	-30.2	176.1	-89.9	-174.5	147	0	0	112.6	L17 A18 W23	L17-E21 PolarHBondContact O-N 2.91Å; A18-E21 PolarHBondContact O-N 3.5Å; E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.38Å
22	T	42	Very low	61.2	Low	109 Å²	109	68.8 Å²	68.8	67%	0.669	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.7	179.8	49.4	0	0	0	0	115.1	A18 L19	A18-T22 PolarHBondContact O-N 3.37Å; A18-T22 PolarHBondContact O-OG1 2.91Å; L19-T22 PolarHBondContact O-OG1 2.91Å
23	W	50.5	Low	63.8	Low	78 Å²	78	62.8 Å²	62.8	30%	0.295	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	8.7	-176.2	-67.7	64.7	0	0	0	113.2	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.38Å; W23-C25 PolarHBondContact O-N 3.35Å; W23-H287 VanDerWaalsContact CH2-C 3.44Å; W23-H287 WeakPolarHBondContact CH2-O 3.22Å; W23-H287 WeakPolarHBondContact CZ3-O 3.25Å; W23-E288 VanDerWaalsContact CZ3-C 3.43Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; W23-L290 WeakPolarHBondContact CH2-O 3.47Å; W23-L290 WeakPolarHBondContact CZ3-O 3.47Å
24	A	53.8	Low	66.7	Low	43 Å²	43	59.8 Å²	59.8	36%	0.355	35%	0.353	S	S	.	.	S	Bend	trans	-78	105.5	172.1	0	0	0	0	0	107.8	S26 P129	A24-S26 PolarHBondContact O-N 3.43Å; A24-P129 HydrophobicContact CB-CB 3.95Å; A24-P129 HydrophobicContact CB-CG 3.28Å; A24-P129 WeakPolarHBondContact O-CG 3.5Å
25	C	71.6	Confident	69.4	Low	61 Å²	61	56.7 Å²	56.7	41%	0.412	33%	0.331	S	S	.	.			trans	-47.2	104.5	-170.7	-64	0	0	0	0	112.7	W23	W23-C25 PolarHBondContact O-N 3.35Å
26	S	90.6	Very high	72	Confident	70 Å²	70	57.4 Å²	57.4	49%	0.49	33%	0.329	S	S	.	.			trans	-98.3	138.2	171.6	60.4	0	0	0	0	109.1	A24 L127	A24-S26 PolarHBondContact O-N 3.43Å; S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.4Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å
27	H	95.3	Very high	74.8	Confident	32 Å²	32	55.8 Å²	55.8	15%	0.148	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150	-178.8	-68.2	-74.7	0	0	0	111.4	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 2.74Å; H27-D53 IonicContact CG-OD2 3.69Å; H27-D53 IonicContact ND1-OD1 3.36Å; H27-D53 IonicContact ND1-OD2 3.14Å; H27-D53 PolarHBondContact ND1-OD2 3.14Å; H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.42Å; H27-L127 PolarHBondContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 2.87Å; H27-L192 HydrophobicContact CB-CD1 4.42Å; H27-L196 HydrophobicContact CB-CD1 3.62Å; H27-L196 HydrophobicContact CB-CD2 3.92Å; H27-L196 HydrophobicContact CB-CG 4.36Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.34Å
28	S	97.4	Very high	77.7	Confident	24 Å²	24	54 Å²	54	17%	0.168	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.5	-178.8	65.5	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.32Å; S28-D53 PolarHBondContact N-OD1 2.92Å; S28-D53 PolarHBondContact O-N 2.95Å; S28-D53 PolarHBondContact OG-OD1 3.41Å; S28-C125 CarbonylContact C-O 3.51Å; S28-C125 WeakPolarHBondContact CA-O 3.43Å; S28-D126 WeakPolarHBondContact CB-OD1 3.35Å
29	M	98.6	Very high	80.4	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.2	166	-178.8	175.8	58.7	0	0	108	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.21Å; M29-Y31 HydrophobicContact CG-CE2 3.94Å; M29-Y31 HydrophobicContact SD-CE2 3.85Å; M29-Y51 WeakPolarHBondContact CA-O 3.45Å; M29-V52 HydrophobicContact CB-CG2 4.46Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; M29-C125 PolarHBondContact N-O 2.77Å; M29-C125 PolarHBondContact O-N 3.02Å; M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.4Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.37Å; M29-L192 HydrophobicContact CB-CB 4.01Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.93Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.32Å; M29-Y195 HydrophobicContact SD-CD2 3.8Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	83	Confident	48 Å²	48	54 Å²	54	18%	0.181	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.5	-176.9	-53.7	-61.4	-175.5	74.9	6	110.2	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.91Å; R30-G50 WeakPolarHBondContact O-CA 3.27Å; R30-Y51 PolarHBondContact N-O 3.15Å; R30-Y51 PolarHBondContact O-N 3.14Å; R30-D126 IonicContact CZ-OD1 3.43Å; R30-D126 VanDerWaalsContact CZ-OD1 3.26Å; R30-D126 IonicContact CZ-OD2 2.7Å; R30-D126 IonicContact NE-OD1 3.67Å; R30-D126 PolarHBondContact NE-OD1 3.37Å; R30-D126 IonicContact NH2-OD1 2.8Å; R30-D126 PolarHBondContact NH2-OD1 3.08Å; R30-D126 IonicContact NH2-OD2 3.73Å; R30-D126 PolarHBondContact NH2-OD2 3.18Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.05Å
31	Y	98.8	Very high	85.6	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.027	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.8	168.8	-68.9	-98.8	0	0	0	108.9	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.21Å; M29-Y31 HydrophobicContact CG-CE2 3.94Å; M29-Y31 HydrophobicContact SD-CE2 3.85Å; Y31-V49 WeakPolarHBondContact CA-O 3.4Å; Y31-F57 HydrophobicContact CE1-CZ 4.22Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; Y31-V58 HydrophobicContact CE1-CG2 4.03Å; Y31-M122 WeakPolarHBondContact O-CA 3.18Å; Y31-Y123 HydrophobicContact CD2-CD2 4.2Å; Y31-Y123 AromaticContact CD2-CE2 3.46Å; Y31-Y123 HydrophobicContact CD2-CE2 3.46Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.46Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CE2-CE2 4.23Å; Y31-Y123 HydrophobicContact CG-CE1 4.35Å; Y31-Y123 AromaticContact CG-CE2 3.75Å; Y31-Y123 HydrophobicContact CG-CE2 3.75Å; Y31-Y123 AromaticContact CG-CZ 3.6Å; Y31-Y123 PolarHBondContact N-O 2.71Å; Y31-Y123 PolarHBondContact O-N 2.72Å
32	F	98.8	Very high	88.3	Confident	84 Å²	84	54.6 Å²	54.6	37%	0.368	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	111.3	177.9	-56	-96.8	0	0	0	108.7	R30 S48 V49 Y51 W121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.91Å; F32-S48 WeakPolarHBondContact O-CA 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 3.02Å; F32-V49 PolarHBondContact O-N 2.7Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; F32-W121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 4.06Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.28Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CG-CG 4.37Å; F32-M122 HydrophobicContact CZ-CG 4.07Å
33	D	98.8	Very high	90.8	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.9	176.5	-70.7	-1.3	0	0	0	109.4	F46 I47 S48 Q94 Q120 W121	D33-F46 HydrophobicContact CB-CE2 3.82Å; D33-F46 HydrophobicContact CB-CZ 4.01Å; D33-F46 WeakPolarHBondContact OD2-CZ 3.43Å; D33-I47 CarbonylContact C-O 3.58Å; D33-I47 WeakPolarHBondContact CA-O 3.34Å; D33-S48 WeakPolarHBondContact OD1-CA 3.37Å; D33-S48 WeakPolarHBondContact OD1-CB 3.4Å; D33-S48 PolarHBondContact OD1-OG 3.18Å; D33-Q94 WeakPolarHBondContact OD2-CG 3.41Å; D33-Q120 WeakPolarHBondContact O-CA 3.14Å; D33-W121 HydrophobicContact CB-CB 4.23Å; D33-W121 HydrophobicContact CB-CE3 4.23Å; D33-W121 PolarHBondContact N-O 2.99Å; D33-W121 PolarHBondContact O-N 3.26Å
34	T	98.9	Very high	93	Very high	41 Å²	41	51.3 Å²	51.3	25%	0.252	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	118	179.3	-61.8	0	0	0	0	109.9	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.04Å; T34-F46 WeakPolarHBondContact O-CA 3.34Å; T34-I47 PolarHBondContact N-O 3.39Å; T34-I47 PolarHBondContact O-N 2.93Å; T34-T118 HydrophobicContact CG2-CG2 4.15Å; T34-L119 WeakPolarHBondContact CA-O 3.48Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å
35	A	98.7	Very high	95.1	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.8	175.9	0	0	0	0	0	110.4	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 WeakPolarHBondContact CA-O 3.38Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; A35-D98 HydrophobicContact CB-CB 3.62Å; A35-L102 HydrophobicContact CB-CD1 3.91Å; A35-T118 WeakPolarHBondContact O-CA 3.46Å; A35-L119 HydrophobicContact CB-CB 4.48Å; A35-L119 PolarHBondContact N-O 2.93Å; A35-L119 PolarHBondContact O-N 3.39Å
36	V	98.6	Very high	96.4	Very high	50 Å²	50	50.8 Å²	50.8	30%	0.303	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.6	-179.6	-172.5	0	0	0	0	109.4	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.04Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.36Å; V36-P44 WeakPolarHBondContact O-CB 3.22Å; V36-R45 PolarHBondContact N-O 2.94Å; V36-R45 PolarHBondContact O-N 3.3Å; V36-H117 WeakPolarHBondContact CA-O 3.23Å; V36-T118 HydrophobicContact CG2-CG2 4.3Å
37	S	97.8	Very high	96.8	Very high	17 Å²	17	49.6 Å²	49.6	12%	0.119	27%	0.27	C	S	.	.			trans	-68.1	146.9	173.2	77	0	0	0	0	110.6	G115 S116 H117	S37-G115 PolarHBondContact OG-O 3.38Å; S37-S116 PolarHBondContact O-OG 2.91Å; S37-H117 PolarHBondContact N-O 2.87Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.25Å
38	R	95.9	Very high	97	Very high	72 Å²	72	48 Å²	48	27%	0.272	26%	0.263	S	S	.	.			trans	-138.3	75.6	179.4	54.7	174.2	173.1	-157.4	-14.6	111.6	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.39Å; R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 WeakPolarHBondContact CD-O 3.24Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 2.81Å; R38-R41 PolarHBondContact O-N 3.46Å; R38-E43 VanDerWaalsContact CZ-O 3.24Å; R38-E43 PolarHBondContact NE-O 3.44Å; R38-E43 PolarHBondContact NH2-O 2.9Å; R38-D63 IonicContact CZ-OD1 3.57Å; R38-D63 IonicContact CZ-OD2 3.62Å; R38-D63 IonicContact NH1-OD1 3.42Å; R38-D63 PolarHBondContact NH1-OD1 2.99Å; R38-D63 IonicContact NH1-OD2 2.79Å; R38-D63 PolarHBondContact NH1-OD2 3.34Å; R38-D63 IonicContact NH2-OD1 2.65Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 3.12Å
39	P	92.8	Very high	97	Very high	49 Å²	49	48.1 Å²	48.1	32%	0.318	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	134	-179.1	-28.4	36.3	0	0	0	112.6	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.87Å; P39-R41 VanDerWaalsContact O-N 3.14Å; P39-E113 WeakPolarHBondContact CB-O 3.2Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; P39-G115 VanDerWaalsContact CG-O 3.23Å; P39-G115 WeakPolarHBondContact CG-O 3.22Å
40	G	91.4	Very high	97	Very high	91 Å²	91	48.1 Å²	48.1	94%	0.938	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	0	-176.4	0	0	0	0	0	116.3	R38	R38-G40 PolarHBondContact O-N 3.39Å
41	R	93.3	Very high	97	Very high	208 Å²	208	49.3 Å²	49.3	79%	0.785	27%	0.267	S	S	*	.	S	Bend	trans	-122.3	21.9	-177.3	-59	-175.8	-179.5	-171.9	0.5	113.9	R38 P39	R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 WeakPolarHBondContact CD-O 3.24Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 2.81Å; R38-R41 PolarHBondContact O-N 3.46Å; P39-R41 PolarHBondContact O-N 2.87Å; P39-R41 VanDerWaalsContact O-N 3.14Å
42	G	91.7	Very high	97	Very high	56 Å²	56	49 Å²	49	58%	0.577	27%	0.266	S	S	*	.	S	Bend	trans	95.6	-161	179	0	0	0	0	0	113.6
43	E	94.5	Very high	96.9	Very high	93 Å²	93	46.3 Å²	46.3	44%	0.435	26%	0.256	S	S	.	.	S	Bend	trans	-73.5	153.9	-176	-63.8	-58.7	170.2	0	0	112.7	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.24Å; R38-E43 PolarHBondContact NE-O 3.44Å; R38-E43 PolarHBondContact NH2-O 2.9Å; E43-R45 PolarHBondContact O-N 3.33Å; E43-R99 IonicContact OE1-CZ 2.94Å; E43-R99 IonicContact OE1-NE 2.75Å; E43-R99 IonicContact OE1-NH2 3.26Å; E43-R99 PolarHBondContact OE1-NH2 2.94Å; E43-R99 IonicContact OE2-CZ 3.8Å; E43-R99 IonicContact OE2-NE 3.72Å; E43-R99 PolarHBondContact OE2-NE 3.33Å; E43-R99 IonicContact OE2-NH2 2.77Å; E43-R99 PolarHBondContact OE2-NH2 3Å
44	P	97.3	Very high	96.7	Very high	26 Å²	26	49.1 Å²	49.1	17%	0.169	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-50.3	134.6	175.9	-26.7	35.2	0	0	0	112.1	V36 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.36Å; V36-P44 WeakPolarHBondContact O-CB 3.22Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.26Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.86Å
45	R	98.4	Very high	96.6	Very high	90 Å²	90	48.5 Å²	48.5	34%	0.34	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.4	173.2	-176.3	-176.5	-176.5	-179.8	-0.9	108.3	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.56Å; A35-R45 WeakPolarHBondContact CA-O 3.38Å; V36-R45 PolarHBondContact N-O 2.94Å; V36-R45 PolarHBondContact O-N 3.3Å; E43-R45 PolarHBondContact O-N 3.33Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; R45-D61 IonicContact CZ-OD1 3.52Å; R45-D61 IonicContact CZ-OD2 3.9Å; R45-D61 IonicContact NE-OD1 2.67Å; R45-D61 PolarHBondContact NE-OD1 2.82Å; R45-D61 IonicContact NE-OD2 2.65Å; R45-D61 VanDerWaalsContact NH2-CG 3.35Å; R45-D61 IonicContact NH2-OD1 3.38Å; R45-D61 PolarHBondContact NH2-OD1 3.04Å; R45-D61 IonicContact NH2-OD2 3.17Å; R45-D61 PolarHBondContact NH2-OD2 2.91Å; R45-S62 WeakPolarHBondContact CA-OG 3.37Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.34Å; R45-D63 IonicContact NE-OD2 2.63Å
46	F	98.8	Very high	96.6	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.013	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.3	174.9	175.6	-90.8	0	0	0	109.7	D33 T34 A35 F60 S62 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.82Å; D33-F46 HydrophobicContact CB-CZ 4.01Å; D33-F46 WeakPolarHBondContact OD2-CZ 3.43Å; T34-F46 WeakPolarHBondContact O-CA 3.34Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.81Å; F46-F60 HydrophobicContact CD1-CE1 3.81Å; F46-F60 AromaticContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; F46-S62 PolarHBondContact N-OG 2.94Å; F46-S62 WeakPolarHBondContact O-CB 3.46Å; F46-S62 PolarHBondContact O-N 3.46Å; F46-S62 PolarHBondContact O-OG 2.87Å; F46-Q94 HydrophobicContact CE2-CB 4.19Å; F46-Q94 HydrophobicContact CE2-CG 3.71Å; F46-Q94 HydrophobicContact CZ-CB 3.95Å; F46-Q94 HydrophobicContact CZ-CG 3.81Å; F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.76Å; F46-A95 HydrophobicContact CD2-CB 4.13Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CG-CB 3.59Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.39Å
47	I	98.8	Very high	96.6	Very high	44 Å²	44	48.5 Å²	48.5	23%	0.226	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.9	173.1	-56.6	176.8	0	0	0	107.1	D33 T34 R45 V49 F60	D33-I47 CarbonylContact C-O 3.58Å; D33-I47 WeakPolarHBondContact CA-O 3.34Å; T34-I47 PolarHBondContact N-O 3.39Å; T34-I47 PolarHBondContact O-N 2.93Å; R45-I47 HydrophobicContact CG-CG1 4.33Å; I47-V49 HydrophobicContact CG2-CG1 4.45Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å
48	S	98.8	Very high	96.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.8	170.3	-179.5	0	0	0	0	109.5	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.34Å; D33-S48 WeakPolarHBondContact OD1-CA 3.37Å; D33-S48 WeakPolarHBondContact OD1-CB 3.4Å; D33-S48 PolarHBondContact OD1-OG 3.18Å; S48-R59 CarbonylContact O-C 3.6Å; S48-R59 WeakPolarHBondContact O-CA 3.3Å; S48-F60 PolarHBondContact N-O 2.93Å; S48-F60 PolarHBondContact O-N 2.67Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.39Å
49	V	98.8	Very high	96.7	Very high	26 Å²	26	47.7 Å²	47.7	16%	0.158	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.8	171.7	-63.4	0	0	0	0	110.3	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.4Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 3.02Å; F32-V49 PolarHBondContact O-N 2.7Å; I47-V49 HydrophobicContact CG2-CG1 4.45Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.14Å; V49-R59 HydrophobicContact CG1-CG 4.28Å
50	G	98.6	Very high	97	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.2	176.9	0	0	0	0	0	111	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.27Å; G50-F57 WeakPolarHBondContact O-CD1 3.07Å; G50-F57 PolarHBondContact O-N 3.37Å; G50-V58 PolarHBondContact N-O 3.33Å; G50-V58 PolarHBondContact O-N 3.41Å
51	Y	98.6	Very high	97.3	Very high	73 Å²	73	42 Å²	42	29%	0.286	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.4	179.5	-77.2	-103.5	0	0	0	110.7	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.45Å; R30-Y51 PolarHBondContact N-O 3.15Å; R30-Y51 PolarHBondContact O-N 3.14Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.3Å; Y51-Q56 HydrophobicContact CE1-CB 3.6Å; Y51-Q56 HydrophobicContact CE1-CG 4.31Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å
52	V	98.2	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119	157.1	175.4	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.32Å; M29-V52 HydrophobicContact CB-CG2 4.46Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; V52-D54 PolarHBondContact O-N 3.23Å; V52-T55 PolarHBondContact N-O 3.07Å; V52-T55 WeakPolarHBondContact O-CB 3.45Å; V52-T55 PolarHBondContact O-N 2.7Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.92Å; V52-W75 HydrophobicContact CB-CH2 4.22Å; V52-W75 HydrophobicContact CB-CZ2 4.34Å; V52-W75 HydrophobicContact CG2-CH2 3.82Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.87Å; V52-Y195 HydrophobicContact CG2-CG 4.4Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.33Å; V52-L203 HydrophobicContact CB-CD2 4.25Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å
53	D	95.8	Very high	97.8	Very high	29 Å²	29	34.4 Å²	34.4	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-130.2	-165.2	-52	-42.7	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 2.74Å; H27-D53 IonicContact CG-OD2 3.69Å; H27-D53 IonicContact ND1-OD1 3.36Å; H27-D53 IonicContact ND1-OD2 3.14Å; H27-D53 PolarHBondContact ND1-OD2 3.14Å; S28-D53 PolarHBondContact N-OD1 2.92Å; S28-D53 PolarHBondContact O-N 2.95Å; S28-D53 PolarHBondContact OG-OD1 3.41Å; D53-T55 VanDerWaalsContact C-N 3.28Å; D53-T55 PolarHBondContact O-N 3.01Å
54	D	95.7	Very high	98	Very high	62 Å²	62	31.7 Å²	31.7	33%	0.332	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	2.4	177.5	-62.8	-60.6	0	0	0	114	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.23Å; D54-Y233 HydrophobicContact CB-CE2 3.98Å; D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.49Å; D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.4Å; D54-A235 WeakPolarHBondContact OD2-CB 3.42Å; D54-A235 PolarHBondContact OD2-N 3.46Å; D54-F265 HydrophobicContact CB-CE2 3.72Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	96.7	Very high	98	Very high	29 Å²	29	36 Å²	36	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.5	-175.7	-63.6	0	0	0	0	111.9	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.36Å; V52-T55 PolarHBondContact N-O 3.07Å; V52-T55 WeakPolarHBondContact O-CB 3.45Å; V52-T55 PolarHBondContact O-N 2.7Å; D53-T55 VanDerWaalsContact C-N 3.28Å; D53-T55 PolarHBondContact O-N 3.01Å; T55-F57 PolarHBondContact O-N 2.84Å; T55-A73 HydrophobicContact CG2-CB 4.29Å; T55-W75 HydrophobicContact CG2-CZ2 4.4Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.34Å; T55-Y233 PolarHBondContact OG1-OH 2.89Å
56	Q	97.7	Very high	97.9	Very high	50 Å²	50	35.8 Å²	35.8	23%	0.234	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.1	171.9	-166	-177.1	2.2	0	0	110.6	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.3Å; Y51-Q56 HydrophobicContact CE1-CB 3.6Å; Y51-Q56 HydrophobicContact CE1-CG 4.31Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å; Q56-V58 PolarHBondContact NE2-O 3.09Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; Q56-R72 CarbonylContact O-C 3.56Å
57	F	98.1	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-23.2	179.9	76.4	-82.6	0	0	0	114.6	M29 Y31 G50 V52 T55 P71 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; Y31-F57 HydrophobicContact CE1-CZ 4.22Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.07Å; G50-F57 PolarHBondContact O-N 3.37Å; V52-F57 HydrophobicContact CG2-CD1 3.94Å; V52-F57 HydrophobicContact CG2-CE1 3.92Å; T55-F57 PolarHBondContact O-N 2.84Å; F57-P71 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 2.94Å; F57-A73 HydrophobicContact CB-CB 4.06Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.41Å; F57-W75 VanDerWaalsContact CB-CZ2 3.41Å; F57-W75 HydrophobicContact CB-CZ3 3.85Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CH2 3.78Å; F57-W75 AromaticContact CD2-CZ3 3.93Å; F57-W75 HydrophobicContact CD2-CZ3 3.93Å; F57-W75 AromaticContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CZ2 4.11Å; F57-W75 AromaticContact CG-CZ3 3.99Å; F57-W75 HydrophobicContact CG-CZ3 3.99Å; F57-V76 HydrophobicContact CB-CG1 4.41Å; F57-V76 HydrophobicContact CD2-CB 4.34Å; F57-V76 HydrophobicContact CD2-CG1 4.4Å; F57-V76 HydrophobicContact CD2-CG2 4.14Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.48Å; F57-Y195 HydrophobicContact CD2-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.19Å; F57-Y195 HydrophobicContact CE2-CE1 4.5Å; F57-Y195 AromaticContact CE2-CE2 3.54Å; F57-Y195 HydrophobicContact CE2-CE2 3.54Å; F57-Y195 AromaticContact CE2-CZ 3.72Å; F57-Y195 HydrophobicContact CZ-CD2 4.21Å; F57-Y195 AromaticContact CZ-CE2 3.65Å; F57-Y195 HydrophobicContact CZ-CE2 3.65Å
58	V	98.4	Very high	97.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.7	175.2	-73.7	0	0	0	0	113.4	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 4.03Å; V49-V58 WeakPolarHBondContact CA-O 3.14Å; G50-V58 PolarHBondContact N-O 3.33Å; G50-V58 PolarHBondContact O-N 3.41Å; Q56-V58 PolarHBondContact NE2-O 3.09Å; V58-E70 WeakPolarHBondContact CA-O 3.29Å; V58-W84 HydrophobicContact CG1-CH2 3.9Å; V58-W84 HydrophobicContact CG1-CZ3 3.85Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.21Å
59	R	98.4	Very high	97.7	Very high	72 Å²	72	42.7 Å²	42.7	27%	0.272	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147	169.2	-177.8	178.2	174.7	110.8	5.1	110.8	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.6Å; S48-R59 WeakPolarHBondContact O-CA 3.3Å; V49-R59 HydrophobicContact CG1-CG 4.28Å; R59-D61 IonicContact CZ-OD2 2.95Å; R59-D61 IonicContact NE-OD2 3.39Å; R59-D61 IonicContact NH2-OD2 2.66Å; R59-D61 PolarHBondContact NH2-OD2 3.02Å; R59-E70 PolarHBondContact N-O 2.91Å; R59-E70 PolarHBondContact O-N 3.33Å; R59-R72 HydrophobicContact CB-CG 3.94Å
60	F	98.8	Very high	97.6	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.4	161.1	178.8	-85.1	0	0	0	109.5	F46 I47 S48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.81Å; F46-F60 HydrophobicContact CD1-CE1 3.81Å; F46-F60 AromaticContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å; S48-F60 PolarHBondContact N-O 2.93Å; S48-F60 PolarHBondContact O-N 2.67Å; F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.18Å; F60-Y91 HydrophobicContact CB-CD1 4.19Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.69Å; F60-Y91 HydrophobicContact CD1-CG 4.42Å; F60-Y91 AromaticContact CD2-CD2 3.64Å; F60-Y91 HydrophobicContact CD2-CD2 3.64Å; F60-Y91 AromaticContact CD2-CG 3.87Å; F60-Y91 HydrophobicContact CD2-CG 3.87Å; F60-Y91 AromaticContact CG-CD2 3.82Å; F60-Y91 HydrophobicContact CG-CD2 3.82Å; F60-Y91 AromaticContact CG-CG 3.75Å; F60-Y91 HydrophobicContact CG-CG 3.75Å; F60-K92 HydrophobicContact CE2-CG 4.22Å; F60-K92 HydrophobicContact CZ-CG 4.02Å
61	D	98.7	Very high	97.6	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	120.5	175	-158.6	-37.4	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.52Å; R45-D61 IonicContact CZ-OD2 3.9Å; R45-D61 IonicContact NE-OD1 2.67Å; R45-D61 PolarHBondContact NE-OD1 2.82Å; R45-D61 IonicContact NE-OD2 2.65Å; R45-D61 VanDerWaalsContact NH2-CG 3.35Å; R45-D61 IonicContact NH2-OD1 3.38Å; R45-D61 PolarHBondContact NH2-OD1 3.04Å; R45-D61 IonicContact NH2-OD2 3.17Å; R45-D61 PolarHBondContact NH2-OD2 2.91Å; R59-D61 IonicContact CZ-OD2 2.95Å; R59-D61 IonicContact NE-OD2 3.39Å; R59-D61 IonicContact NH2-OD2 2.66Å; R59-D61 PolarHBondContact NH2-OD2 3.02Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 2.81Å; D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.37Å; D61-A64 PolarHBondContact O-N 2.69Å
62	S	98.3	Very high	97.5	Very high	33 Å²	33	49 Å²	49	23%	0.231	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.4	-177.9	67.7	0	0	0	0	113.6	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.37Å; F46-S62 PolarHBondContact N-OG 2.94Å; F46-S62 WeakPolarHBondContact O-CB 3.46Å; F46-S62 PolarHBondContact O-N 3.46Å; F46-S62 PolarHBondContact O-OG 2.87Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.41Å
63	D	97.5	Very high	97.4	Very high	71 Å²	71	49.2 Å²	49.2	38%	0.38	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.1	178.8	-79	4.1	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.57Å; R38-D63 IonicContact CZ-OD2 3.62Å; R38-D63 IonicContact NH1-OD1 3.42Å; R38-D63 PolarHBondContact NH1-OD1 2.99Å; R38-D63 IonicContact NH1-OD2 2.79Å; R38-D63 PolarHBondContact NH1-OD2 3.34Å; R38-D63 IonicContact NH2-OD1 2.65Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 3.12Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.34Å; R45-D63 IonicContact NE-OD2 2.63Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 2.81Å
64	A	97.3	Very high	97.4	Very high	35 Å²	35	52.7 Å²	52.7	29%	0.289	30%	0.296	S	S	.	.	S	Bend	trans	-64.5	150.1	173	0	0	0	0	0	111.4	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.37Å; D61-A64 PolarHBondContact O-N 2.69Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.82Å; A64-S66 VanDerWaalsContact O-N 3.14Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.42Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.47Å
65	A	96.9	Very high	97.5	Very high	118 Å²	118	50.5 Å²	50.5	98%	0.975	28%	0.283	S	S	*	.	S	Bend	trans	-61.5	-24.7	179.9	0	0	0	0	0	113.7
66	S	96.3	Very high	97.5	Very high	84 Å²	84	49.1 Å²	49.1	59%	0.587	27%	0.274	S	S	*	.	S	Bend	trans	-140.7	89.2	170.1	-173.3	0	0	0	0	109	A64 R68	A64-S66 PolarHBondContact O-N 2.82Å; A64-S66 VanDerWaalsContact O-N 3.14Å; S66-R68 PolarHBondContact O-N 3.22Å; S66-R68 VanDerWaalsContact O-N 3.13Å
67	P	97.1	Very high	97.4	Very high	35 Å²	35	52.8 Å²	52.8	23%	0.227	29%	0.291	C	S	.	.			trans	-64.9	114.2	-174.2	-24.5	35.9	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.46Å; F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; S62-P67 WeakPolarHBondContact O-CG 3.41Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.42Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.47Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å; P67-K92 PolarHBondContact O-NZ 2.87Å
68	R	97.8	Very high	97.2	Very high	152 Å²	152	58.9 Å²	58.9	57%	0.574	32%	0.32	S	S	*	.			trans	-147.7	162.7	177.1	63	-178	176.2	172.6	1.3	110	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.18Å; S66-R68 PolarHBondContact O-N 3.22Å; S66-R68 VanDerWaalsContact O-N 3.13Å; R68-E70 HydrophobicContact CG-CG 4.33Å; R68-T88 HydrophobicContact CB-CG2 4.2Å
69	G	97.6	Very high	97.1	Very high	5 Å²	5	59.4 Å²	59.4	5%	0.052	32%	0.322	C	S	.	.			trans	-64.9	133	166	0	0	0	0	0	109.7	T88	G69-T88 PolarHBondContact N-OG1 2.96Å
70	E	97.8	Very high	97	Very high	56 Å²	56	57.5 Å²	57.5	26%	0.262	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.2	179.9	-62.6	-178.6	152.2	0	0	110	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.29Å; R59-E70 PolarHBondContact N-O 2.91Å; R59-E70 PolarHBondContact O-N 3.33Å; R68-E70 HydrophobicContact CG-CG 4.33Å; E70-R72 IonicContact OE2-CZ 2.78Å; E70-R72 IonicContact OE2-NH2 3.61Å; E70-R72 PolarHBondContact OE2-NH2 3.33Å
71	P	97.9	Very high	96.9	Very high	49 Å²	49	62 Å²	62	32%	0.318	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	147.7	172.1	28.7	-34.8	0	0	0	111	F57 V76 E77 W84	F57-P71 CarbonylContact O-C 3.58Å; P71-V76 HydrophobicContact CB-CG1 3.83Å; P71-E77 HydrophobicContact CB-CG 3.69Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.9Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å
72	R	97.4	Very high	96.8	Very high	127 Å²	127	69.1 Å²	69.1	48%	0.479	39%	0.388	S	S	.	.			trans	-130.6	-5.1	175.3	-60.6	-66.2	166	174.9	-4.6	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; Q56-R72 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 2.94Å; R59-R72 HydrophobicContact CB-CG 3.94Å; E70-R72 IonicContact OE2-CZ 2.78Å; E70-R72 IonicContact OE2-NH2 3.61Å; E70-R72 PolarHBondContact OE2-NH2 3.33Å
73	A	96	Very high	96.8	Very high	5 Å²	5	68 Å²	68	4%	0.041	38%	0.378	C	S	.	.	S	Bend	trans	-134	143.6	170.9	0	0	0	0	0	110.7	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.29Å; F57-A73 HydrophobicContact CB-CB 4.06Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 2.65Å; A73-V76 WeakPolarHBondContact O-CG1 3.24Å; A73-V76 PolarHBondContact O-N 2.79Å
74	P	95.9	Very high	96.8	Very high	102 Å²	102	66.5 Å²	66.5	66%	0.662	37%	0.367	S	S	*	.	H	α-helix	trans	-58.6	-35.2	-176.3	-26.6	35.2	0	0	0	114.2	V76 E77	P74-V76 PolarHBondContact O-N 2.93Å; P74-E77 WeakPolarHBondContact O-CB 3.4Å; P74-E77 PolarHBondContact O-N 3.24Å
75	W	95.9	Very high	96.9	Very high	16 Å²	16	70 Å²	70	6%	0.061	38%	0.381	C	S	.	.	H	α-helix	trans	-70.5	-11.1	-176	53.8	-107.9	0	0	0	115	V52 T55 F57 A73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.22Å; V52-W75 HydrophobicContact CB-CZ2 4.34Å; V52-W75 HydrophobicContact CG2-CH2 3.82Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; T55-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.41Å; F57-W75 VanDerWaalsContact CB-CZ2 3.41Å; F57-W75 HydrophobicContact CB-CZ3 3.85Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CH2 3.78Å; F57-W75 AromaticContact CD2-CZ3 3.93Å; F57-W75 HydrophobicContact CD2-CZ3 3.93Å; F57-W75 AromaticContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CZ2 4.11Å; F57-W75 AromaticContact CG-CZ3 3.99Å; F57-W75 HydrophobicContact CG-CZ3 3.99Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 2.65Å; W75-Q78 WeakPolarHBondContact O-CG 3.31Å; W75-Q78 PolarHBondContact O-NE2 3.42Å; W75-Y195 HydrophobicContact CE3-CD1 4.26Å; W75-Y195 HydrophobicContact CE3-CG 4.46Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 HydrophobicContact CZ3-CE1 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.56Å; W75-Y195 HydrophobicContact CZ3-CG 3.56Å; W75-N198 HydrophobicContact CB-CB 4.41Å; W75-N198 WeakPolarHBondContact CB-O 3.45Å; W75-G199 VanDerWaalsContact CB-CA 3.47Å; W75-G199 VanDerWaalsContact CG-CA 3.45Å; W75-T202 PolarHBondContact NE1-OG1 3.42Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.05Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å
76	V	97.3	Very high	96.9	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-96.8	-15.9	170.1	75.8	0	0	0	0	112.3	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.41Å; F57-V76 HydrophobicContact CD2-CB 4.34Å; F57-V76 HydrophobicContact CD2-CG1 4.4Å; F57-V76 HydrophobicContact CD2-CG2 4.14Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.48Å; P71-V76 HydrophobicContact CB-CG1 3.83Å; A73-V76 WeakPolarHBondContact O-CG1 3.24Å; A73-V76 PolarHBondContact O-N 2.79Å; P74-V76 PolarHBondContact O-N 2.93Å; V76-Q78 PolarHBondContact O-N 2.86Å; V76-Q78 VanDerWaalsContact O-N 3.16Å; V76-E79 HydrophobicContact CG2-CB 4.45Å; V76-E79 HydrophobicContact CG2-CG 3.79Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.5Å; V76-E79 WeakPolarHBondContact O-CG 3.45Å; V76-E79 PolarHBondContact O-N 2.91Å; V76-Y83 HydrophobicContact CG2-CE1 4.11Å; V76-W84 HydrophobicContact CG1-CH2 3.93Å; V76-W84 HydrophobicContact CG1-CZ2 4.16Å; V76-W84 HydrophobicContact CG2-CH2 4.03Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 2.95Å; V76-Y195 HydrophobicContact CG2-CE1 4.31Å
77	E	95.5	Very high	97	Very high	127 Å²	127	65.5 Å²	65.5	59%	0.593	33%	0.326	S	S	*	.	H	α-helix	trans	-62.4	-25.3	179.3	-63.4	-174.7	-179.7	0	0	113	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.69Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 3.4Å; P74-E77 PolarHBondContact O-N 3.24Å; E77-E79 PolarHBondContact O-N 3.42Å
78	Q	94.6	Very high	97	Very high	128 Å²	128	64.4 Å²	64.4	60%	0.598	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.7	174.1	66	178.3	8.8	0	0	114.5	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.31Å; W75-Q78 PolarHBondContact O-NE2 3.42Å; V76-Q78 PolarHBondContact O-N 2.86Å; V76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-N198 VanDerWaalsContact NE2-CB 3.35Å; Q78-N198 PolarHBondContact NE2-ND2 3.32Å; Q78-N198 PolarHBondContact NE2-OD1 2.97Å
79	E	96.6	Very high	97	Very high	11 Å²	11	62.3 Å²	62.3	5%	0.051	32%	0.316	C	S	.	.	S	Bend	trans	-68.1	133.9	174.1	-67.5	-62.8	164.7	0	0	111.1	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.45Å; V76-E79 HydrophobicContact CG2-CG 3.79Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.5Å; V76-E79 WeakPolarHBondContact O-CG 3.45Å; V76-E79 PolarHBondContact O-N 2.91Å; E77-E79 PolarHBondContact O-N 3.42Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CD2 4.36Å; E79-Y83 HydrophobicContact CB-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.18Å; E79-Y83 HydrophobicContact CG-CD2 4.32Å; E79-Y83 HydrophobicContact CG-CE1 4.37Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 2.9Å; E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 3.85Å; E79-R194 IonicContact OE1-NE 3.28Å; E79-R194 PolarHBondContact OE1-NE 3.05Å; E79-R194 IonicContact OE1-NH2 3.54Å; E79-R194 PolarHBondContact OE1-NH2 2.94Å; E79-R194 VanDerWaalsContact OE1-NH2 3.14Å; E79-R194 IonicContact OE2-CZ 2.72Å; E79-R194 IonicContact OE2-NE 2.71Å; E79-R194 IonicContact OE2-NH2 3.42Å; E79-R194 PolarHBondContact OE2-NH2 3.41Å; E79-N198 PolarHBondContact OE1-ND2 2.82Å
80	G	95.6	Very high	97	Very high	33 Å²	33	65.5 Å²	65.5	34%	0.34	33%	0.328	S	S	.	.			trans	-68.7	168.3	-173.1	0	0	0	0	0	114.6	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.11Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.47Å; G80-Y83 PolarHBondContact O-N 3.15Å; G80-W84 PolarHBondContact O-N 2.83Å
81	P	96.9	Very high	97.1	Very high	99 Å²	99	63.1 Å²	63.1	64%	0.643	32%	0.317	S	S	*	.	H	α-helix	trans	-57.1	-35.2	-178	22.9	-33.7	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.72Å; P81-W84 PolarHBondContact O-N 2.93Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 WeakPolarHBondContact O-CB 3.01Å; P81-D85 PolarHBondContact O-N 2.97Å
82	E	97.4	Very high	97.1	Very high	166 Å²	166	64.7 Å²	64.7	78%	0.776	32%	0.319	S	S	*	.	H	α-helix	trans	-59.7	-33.4	176.7	-61.3	-178.6	179	0	0	113.3	G80 R86	G80-E82 PolarHBondContact O-N 3.11Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.34Å; E82-R86 PolarHBondContact O-N 2.9Å; E82-R86 VanDerWaalsContact O-N 3.12Å
83	Y	97.4	Very high	97.1	Very high	9 Å²	9	66.4 Å²	66.4	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-54.3	172.8	170.4	-88.7	0	0	0	109.8	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CD2 4.36Å; E79-Y83 HydrophobicContact CB-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.18Å; E79-Y83 HydrophobicContact CG-CD2 4.32Å; E79-Y83 HydrophobicContact CG-CE1 4.37Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.47Å; G80-Y83 PolarHBondContact O-N 3.15Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.72Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.1Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.34Å; Y83-R86 PolarHBondContact O-N 2.8Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; Y83-E87 HydrophobicContact CD1-CG 4.26Å; Y83-E87 HydrophobicContact CD2-CG 4.19Å; Y83-E87 HydrophobicContact CE1-CG 3.91Å; Y83-E87 HydrophobicContact CE2-CG 3.84Å; Y83-E87 HydrophobicContact CG-CG 4.37Å; Y83-E87 WeakPolarHBondContact O-CG 3.32Å; Y83-E87 PolarHBondContact O-N 2.84Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.38Å; Y83-W191 AromaticContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CE3 4.13Å; Y83-W191 AromaticContact CE2-CH2 3.98Å; Y83-W191 HydrophobicContact CE2-CH2 3.98Å; Y83-W191 AromaticContact CE2-CZ3 3.67Å; Y83-W191 HydrophobicContact CE2-CZ3 3.67Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å
84	W	98.1	Very high	97.2	Very high	39 Å²	39	67.8 Å²	67.8	15%	0.148	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-38	-176.6	-66.7	109.1	0	0	0	113.2	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.9Å; V58-W84 HydrophobicContact CG1-CZ3 3.85Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.9Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å; V76-W84 HydrophobicContact CG1-CH2 3.93Å; V76-W84 HydrophobicContact CG1-CZ2 4.16Å; V76-W84 HydrophobicContact CG2-CH2 4.03Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 2.95Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 2.9Å; G80-W84 PolarHBondContact O-N 2.83Å; P81-W84 PolarHBondContact O-N 2.93Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 WeakPolarHBondContact O-CB 3.12Å; W84-T88 PolarHBondContact O-N 2.82Å; W84-T88 PolarHBondContact O-OG1 3.25Å
85	D	98	Very high	97.3	Very high	108 Å²	108	63.8 Å²	63.8	58%	0.578	31%	0.306	S	S	*	.	H	α-helix	trans	-65.1	-46.6	173.4	-78.2	-26.5	0	0	0	111.1	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.01Å; P81-D85 PolarHBondContact O-N 2.97Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.1Å; D85-T88 PolarHBondContact O-N 2.98Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.19Å; D85-Q89 PolarHBondContact O-N 2.89Å
86	R	97.5	Very high	97.4	Very high	102 Å²	102	67.9 Å²	67.9	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-45.7	179.5	-175	-173.2	67.7	-144	-4.1	112.3	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.34Å; E82-R86 PolarHBondContact O-N 2.9Å; E82-R86 VanDerWaalsContact O-N 3.12Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.34Å; Y83-R86 PolarHBondContact O-N 2.8Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; R86-Q89 PolarHBondContact O-N 3.21Å; R86-K90 PolarHBondContact O-N 2.03Å
87	E	97.7	Very high	97.5	Very high	7 Å²	7	69.7 Å²	69.7	3%	0.033	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-41.6	177.3	-57.8	-41.2	119.6	0	0	110.8	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.26Å; Y83-E87 HydrophobicContact CD2-CG 4.19Å; Y83-E87 HydrophobicContact CE1-CG 3.91Å; Y83-E87 HydrophobicContact CE2-CG 3.84Å; Y83-E87 HydrophobicContact CG-CG 4.37Å; Y83-E87 WeakPolarHBondContact O-CG 3.32Å; Y83-E87 PolarHBondContact O-N 2.84Å; E87-Q89 VanDerWaalsContact C-N 3.28Å; E87-Q89 PolarHBondContact O-N 3.48Å; E87-K90 WeakPolarHBondContact O-CB 3.47Å; E87-K90 PolarHBondContact O-N 2.87Å; E87-K90 IonicContact OE1-NZ 3.67Å; E87-K90 PolarHBondContact OE1-NZ 2.84Å; E87-K90 WeakPolarHBondContact OE2-CD 3.14Å; E87-K90 WeakPolarHBondContact OE2-CE 3.17Å; E87-K90 IonicContact OE2-NZ 2.72Å; E87-K90 PolarHBondContact OE2-NZ 2.62Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.46Å; E87-Y91 PolarHBondContact O-N 2.79Å
88	T	98.4	Very high	97.6	Very high	11 Å²	11	63.7 Å²	63.7	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-55.7	-41.2	171.7	-65.1	0	0	0	0	112.6	R68 G69 W84 D85 K92	R68-T88 HydrophobicContact CB-CG2 4.2Å; G69-T88 PolarHBondContact N-OG1 2.96Å; W84-T88 WeakPolarHBondContact O-CB 3.12Å; W84-T88 PolarHBondContact O-N 2.82Å; W84-T88 PolarHBondContact O-OG1 3.25Å; D85-T88 PolarHBondContact O-N 2.98Å; T88-K92 HydrophobicContact CG2-CD 4Å; T88-K92 WeakPolarHBondContact O-CB 3.44Å; T88-K92 WeakPolarHBondContact O-CG 3.45Å; T88-K92 PolarHBondContact O-N 3.01Å
89	Q	98.3	Very high	97.7	Very high	108 Å²	108	60.7 Å²	60.7	51%	0.505	30%	0.296	S	S	.	.	H	α-helix	trans	-75.3	-24	177.1	-66.7	-64	-10.1	0	0	113.5	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.19Å; D85-Q89 PolarHBondContact O-N 2.89Å; R86-Q89 PolarHBondContact O-N 3.21Å; E87-Q89 VanDerWaalsContact C-N 3.28Å; E87-Q89 PolarHBondContact O-N 3.48Å; Q89-R93 WeakPolarHBondContact O-CB 3.4Å; Q89-R93 VanDerWaalsContact O-CG 3.29Å; Q89-R93 WeakPolarHBondContact O-CG 3.31Å; Q89-R93 PolarHBondContact O-N 2.82Å; Q89-R93 PolarHBondContact O-NE 2.83Å
90	K	97.6	Very high	97.8	Very high	73 Å²	73	63.1 Å²	63.1	32%	0.317	31%	0.312	S	S	.	.	H	α-helix	trans	-68.2	-54	167.5	-74.2	164.7	172.2	177.1	0	110.3	R86 E87 K92 R93 Q94	R86-K90 PolarHBondContact O-N 2.03Å; E87-K90 WeakPolarHBondContact O-CB 3.47Å; E87-K90 PolarHBondContact O-N 2.87Å; E87-K90 IonicContact OE1-NZ 3.67Å; E87-K90 PolarHBondContact OE1-NZ 2.84Å; E87-K90 WeakPolarHBondContact OE2-CD 3.14Å; E87-K90 WeakPolarHBondContact OE2-CE 3.17Å; E87-K90 IonicContact OE2-NZ 2.72Å; E87-K90 PolarHBondContact OE2-NZ 2.62Å; K90-K92 VanDerWaalsContact C-N 3.31Å; K90-K92 PolarHBondContact O-N 2.87Å; K90-R93 PolarHBondContact O-N 3.27Å; K90-Q94 PolarHBondContact O-N 2.79Å
91	Y	98.4	Very high	97.9	Very high	6 Å²	6	63.4 Å²	63.4	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-56.3	-42.6	179.1	-59.5	-49.4	0	0	0	112.5	S48 V58 F60 E87 R93 Q94 A95	S48-Y91 WeakPolarHBondContact OG-CE1 3.39Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.21Å; F60-Y91 HydrophobicContact CB-CD1 4.19Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.69Å; F60-Y91 HydrophobicContact CD1-CG 4.42Å; F60-Y91 AromaticContact CD2-CD2 3.64Å; F60-Y91 HydrophobicContact CD2-CD2 3.64Å; F60-Y91 AromaticContact CD2-CG 3.87Å; F60-Y91 HydrophobicContact CD2-CG 3.87Å; F60-Y91 AromaticContact CG-CD2 3.82Å; F60-Y91 HydrophobicContact CG-CD2 3.82Å; F60-Y91 AromaticContact CG-CG 3.75Å; F60-Y91 HydrophobicContact CG-CG 3.75Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.46Å; E87-Y91 PolarHBondContact O-N 2.79Å; Y91-R93 PolarHBondContact O-N 2.39Å; Y91-Q94 PolarHBondContact O-N 2.81Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 3.04Å
92	K	98.3	Very high	98	Very high	82 Å²	82	59 Å²	59	36%	0.357	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-35.1	176.3	-75.5	174.3	-179.4	169.1	0	113.4	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.22Å; F60-K92 HydrophobicContact CZ-CG 4.02Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å; P67-K92 PolarHBondContact O-NZ 2.87Å; T88-K92 HydrophobicContact CG2-CD 4Å; T88-K92 WeakPolarHBondContact O-CB 3.44Å; T88-K92 WeakPolarHBondContact O-CG 3.45Å; T88-K92 PolarHBondContact O-N 3.01Å; K90-K92 VanDerWaalsContact C-N 3.31Å; K90-K92 PolarHBondContact O-N 2.87Å; K92-Q96 WeakPolarHBondContact O-CG 3.46Å; K92-Q96 PolarHBondContact O-N 3.03Å
93	R	98.3	Very high	97.9	Very high	162 Å²	162	57 Å²	57	61%	0.611	26%	0.262	S	S	*	.	H	α-helix	trans	-71.2	-43.5	174.2	-77	-178.4	-67.3	166.8	1.7	111.4	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.4Å; Q89-R93 VanDerWaalsContact O-CG 3.29Å; Q89-R93 WeakPolarHBondContact O-CG 3.31Å; Q89-R93 PolarHBondContact O-N 2.82Å; Q89-R93 PolarHBondContact O-NE 2.83Å; K90-R93 PolarHBondContact O-N 3.27Å; Y91-R93 PolarHBondContact O-N 2.39Å; R93-Q96 PolarHBondContact O-N 3.47Å; R93-A97 PolarHBondContact O-N 2.95Å
94	Q	98.3	Very high	97.9	Very high	34 Å²	34	61.4 Å²	61.4	16%	0.159	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-44.5	177.9	-170.7	59.1	29.4	0	0	111.7	D33 F46 K90 Y91 Q96 A97 D98 W121 Y140	D33-Q94 WeakPolarHBondContact OD2-CG 3.41Å; F46-Q94 HydrophobicContact CE2-CB 4.19Å; F46-Q94 HydrophobicContact CE2-CG 3.71Å; F46-Q94 HydrophobicContact CZ-CB 3.95Å; F46-Q94 HydrophobicContact CZ-CG 3.81Å; K90-Q94 PolarHBondContact O-N 2.79Å; Y91-Q94 PolarHBondContact O-N 2.81Å; Q94-Q96 PolarHBondContact O-N 2.9Å; Q94-A97 CarbonylContact O-C 3.56Å; Q94-A97 WeakPolarHBondContact O-CA 3.29Å; Q94-A97 WeakPolarHBondContact O-CB 3.5Å; Q94-A97 PolarHBondContact O-N 3.34Å; Q94-D98 VanDerWaalsContact NE2-CG 3.3Å; Q94-D98 PolarHBondContact NE2-OD1 3.35Å; Q94-D98 PolarHBondContact NE2-OD2 2.9Å; Q94-D98 PolarHBondContact O-N 2.94Å; Q94-W121 HydrophobicContact CG-CE3 4.16Å; Q94-W121 HydrophobicContact CG-CZ3 3.91Å; Q94-Y140 PolarHBondContact NE2-OH 3.19Å
95	A	98.3	Very high	97.9	Very high	18 Å²	18	59.9 Å²	59.9	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-55.3	-36.3	174	0	0	0	0	0	113.5	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.76Å; F46-A95 HydrophobicContact CD2-CB 4.13Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CG-CB 3.59Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 3.04Å; A95-R99 VanDerWaalsContact O-CB 3.24Å; A95-R99 WeakPolarHBondContact O-CB 3.35Å; A95-R99 PolarHBondContact O-N 3.09Å; A95-R99 VanDerWaalsContact O-N 3.13Å
96	Q	97.9	Very high	97.8	Very high	102 Å²	102	57.6 Å²	57.6	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-76.3	-34.7	173.9	-65.1	-59.5	-37.7	0	0	112.7	K92 R93 Q94 V100	K92-Q96 WeakPolarHBondContact O-CG 3.46Å; K92-Q96 PolarHBondContact O-N 3.03Å; R93-Q96 PolarHBondContact O-N 3.47Å; Q94-Q96 PolarHBondContact O-N 2.9Å; Q96-V100 WeakPolarHBondContact O-CG2 3.47Å; Q96-V100 PolarHBondContact O-N 2.83Å
97	A	97.9	Very high	97.8	Very high	38 Å²	38	54.9 Å²	54.9	31%	0.314	26%	0.263	S	S	.	.	H	α-helix	trans	-62.6	-48.9	173.4	0	0	0	0	0	110.9	R93 Q94 R99 V100 N101	R93-A97 PolarHBondContact O-N 2.95Å; Q94-A97 CarbonylContact O-C 3.56Å; Q94-A97 WeakPolarHBondContact O-CA 3.29Å; Q94-A97 WeakPolarHBondContact O-CB 3.5Å; Q94-A97 PolarHBondContact O-N 3.34Å; A97-R99 PolarHBondContact O-N 3.38Å; A97-V100 CarbonylContact O-C 3.59Å; A97-V100 WeakPolarHBondContact O-CA 3.46Å; A97-V100 WeakPolarHBondContact O-CB 3.32Å; A97-V100 PolarHBondContact O-N 3.28Å; A97-N101 PolarHBondContact O-N 3.02Å; A97-N101 PolarHBondContact O-ND2 2.94Å
98	D	97.9	Very high	97.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.011	27%	0.272	C	S	.	.	H	α-helix	trans	-68.3	-35.9	-179.4	-69.6	-27.8	0	0	0	113	A35 F46 Q94 V100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.62Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.39Å; Q94-D98 VanDerWaalsContact NE2-CG 3.3Å; Q94-D98 PolarHBondContact NE2-OD1 3.35Å; Q94-D98 PolarHBondContact NE2-OD2 2.9Å; Q94-D98 PolarHBondContact O-N 2.94Å; D98-V100 PolarHBondContact O-N 2.82Å; D98-N101 PolarHBondContact O-N 3Å; D98-N101 VanDerWaalsContact O-N 3.15Å; D98-L102 WeakPolarHBondContact O-CB 3.48Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.42Å; D98-L102 PolarHBondContact O-N 2.95Å; D98-L119 HydrophobicContact CB-CD2 4.13Å; D98-L119 WeakPolarHBondContact OD1-CD2 3.45Å
99	R	97.6	Very high	97.7	Very high	65 Å²	65	60 Å²	60	25%	0.245	28%	0.282	C	S	.	.	H	α-helix	trans	-55.2	-36.2	167.7	175.3	-172.5	-178.2	-143	-0.3	112.7	E43 P44 A95 A97 R103	E43-R99 IonicContact OE1-CZ 2.94Å; E43-R99 IonicContact OE1-NE 2.75Å; E43-R99 IonicContact OE1-NH2 3.26Å; E43-R99 PolarHBondContact OE1-NH2 2.94Å; E43-R99 IonicContact OE2-CZ 3.8Å; E43-R99 IonicContact OE2-NE 3.72Å; E43-R99 PolarHBondContact OE2-NE 3.33Å; E43-R99 IonicContact OE2-NH2 2.77Å; E43-R99 PolarHBondContact OE2-NH2 3Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.26Å; A95-R99 VanDerWaalsContact O-CB 3.24Å; A95-R99 WeakPolarHBondContact O-CB 3.35Å; A95-R99 PolarHBondContact O-N 3.09Å; A95-R99 VanDerWaalsContact O-N 3.13Å; A97-R99 PolarHBondContact O-N 3.38Å; R99-R103 VanDerWaalsContact NE-NH2 3.14Å
100	V	97.6	Very high	97.7	Very high	62 Å²	62	62 Å²	62	38%	0.376	30%	0.296	S	S	.	.	H	α-helix	trans	-79.6	-39.5	175.2	170.9	0	0	0	0	111.2	Q96 A97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.47Å; Q96-V100 PolarHBondContact O-N 2.83Å; A97-V100 CarbonylContact O-C 3.59Å; A97-V100 WeakPolarHBondContact O-CA 3.46Å; A97-V100 WeakPolarHBondContact O-CB 3.32Å; A97-V100 PolarHBondContact O-N 3.28Å; D98-V100 PolarHBondContact O-N 2.82Å; V100-R103 PolarHBondContact O-N 3.14Å; V100-K104 HydrophobicContact CG1-CD 4.36Å; V100-K104 WeakPolarHBondContact O-CG 3.47Å; V100-K104 PolarHBondContact O-N 2.97Å; V100-K104 VanDerWaalsContact O-N 3.14Å
101	N	97.9	Very high	97.6	Very high	38 Å²	38	61.3 Å²	61.3	20%	0.203	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-43.2	-179.8	-64.8	-24.8	0	0	0	111.8	A97 D98 R103 K104 L105 L119	A97-N101 PolarHBondContact O-N 3.02Å; A97-N101 PolarHBondContact O-ND2 2.94Å; D98-N101 PolarHBondContact O-N 3Å; D98-N101 VanDerWaalsContact O-N 3.15Å; N101-R103 PolarHBondContact O-N 3.23Å; N101-K104 WeakPolarHBondContact O-CB 3.39Å; N101-K104 PolarHBondContact O-N 3.46Å; N101-K104 PolarHBondContact OD1-NZ 2.81Å; N101-L105 WeakPolarHBondContact O-CB 3.5Å; N101-L105 VanDerWaalsContact O-CG 3.3Å; N101-L105 WeakPolarHBondContact O-CG 3.35Å; N101-L105 PolarHBondContact O-N 2.92Å; N101-L119 HydrophobicContact CB-CD2 3.7Å
102	L	98.2	Very high	97.4	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-52	-41.3	172.6	-77.2	166.7	0	0	0	112.4	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.91Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.86Å; D98-L102 WeakPolarHBondContact O-CB 3.48Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.42Å; D98-L102 PolarHBondContact O-N 2.95Å; L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 PolarHBondContact O-N 3.37Å; L102-R106 VanDerWaalsContact O-N 3.09Å; L102-H117 HydrophobicContact CD2-CB 4.26Å; L102-L119 HydrophobicContact CD2-CB 3.68Å; L102-L119 HydrophobicContact CG-CB 4.1Å; L102-Y142 HydrophobicContact CD2-CE2 4.07Å
103	R	96.3	Very high	97.1	Very high	124 Å²	124	67.1 Å²	67.1	47%	0.468	33%	0.331	S	S	.	.	H	α-helix	trans	-70.2	-38.6	176.2	-60.7	178.9	-156.8	162.8	0.9	112.7	R99 V100 N101 G107	R99-R103 VanDerWaalsContact NE-NH2 3.14Å; V100-R103 PolarHBondContact O-N 3.14Å; N101-R103 PolarHBondContact O-N 3.23Å; R103-G107 PolarHBondContact O-N 3.41Å
104	K	97	Very high	96.7	Very high	100 Å²	100	66.3 Å²	66.3	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-65.2	-47.2	176.8	-69.5	170.9	-175.7	158.1	0	111	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.36Å; V100-K104 WeakPolarHBondContact O-CG 3.47Å; V100-K104 PolarHBondContact O-N 2.97Å; V100-K104 VanDerWaalsContact O-N 3.14Å; N101-K104 WeakPolarHBondContact O-CB 3.39Å; N101-K104 PolarHBondContact O-N 3.46Å; N101-K104 PolarHBondContact OD1-NZ 2.81Å; K104-G107 CarbonylContact O-C 3.52Å; K104-G107 WeakPolarHBondContact O-CA 3.38Å; K104-G107 PolarHBondContact O-N 2.78Å; K104-G107 VanDerWaalsContact O-N 3.13Å; K104-Y108 WeakPolarHBondContact O-CD1 3.43Å; K104-Y108 PolarHBondContact O-N 3.21Å
105	L	97.9	Very high	96.5	Very high	7 Å²	7	65.5 Å²	65.5	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-50.8	180	-67.9	167.6	0	0	0	110.6	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.5Å; N101-L105 VanDerWaalsContact O-CG 3.3Å; N101-L105 WeakPolarHBondContact O-CG 3.35Å; N101-L105 PolarHBondContact O-N 2.92Å; L105-G107 PolarHBondContact O-N 2.63Å; L105-G107 VanDerWaalsContact O-N 3.13Å; L105-Y108 HydrophobicContact CD2-CD2 4.39Å; L105-Y108 PolarHBondContact O-N 3.43Å; L105-Y109 HydrophobicContact CD2-CE2 4.35Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.17Å; L105-Y109 PolarHBondContact O-N 3.25Å; L105-L119 HydrophobicContact CD1-CD1 3.65Å; L105-L119 HydrophobicContact CD1-CD2 4.11Å; L105-L119 HydrophobicContact CD1-CG 4.38Å; L105-Y142 HydrophobicContact CB-CD1 4.28Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.9Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.63Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.03Å; L105-Y142 HydrophobicContact CG-CD2 4.48Å; L105-Y147 HydrophobicContact CD2-CD1 4.27Å; L105-Y147 HydrophobicContact CD2-CD2 4.23Å; L105-Y147 HydrophobicContact CD2-CE1 3.66Å; L105-Y147 HydrophobicContact CD2-CE2 3.61Å
106	R	96.7	Very high	96.4	Very high	61 Å²	61	68.5 Å²	68.5	23%	0.23	36%	0.359	C	S	.	.	H	α-helix	trans	-50.5	-39.8	172.5	-168.6	-168.9	66.7	173.2	7.6	112.4	L102 N110 Q111 S112 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 PolarHBondContact O-N 3.37Å; L102-R106 VanDerWaalsContact O-N 3.09Å; R106-N110 PolarHBondContact O-N 3.15Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.72Å; R106-Q111 PolarHBondContact O-N 3.03Å; R106-S112 WeakPolarHBondContact CD-O 3.44Å; R106-E113 IonicContact CZ-OE1 2.71Å; R106-E113 IonicContact NH1-OE1 4Å; R106-E113 PolarHBondContact NH1-OE1 2.84Å; R106-E113 IonicContact NH2-OE1 2.89Å; R106-E113 PolarHBondContact NH2-OE1 2.86Å; R106-Y142 PolarHBondContact N-OH 2.66Å
107	G	96.7	Very high	96.5	Very high	45 Å²	45	64.3 Å²	64.3	46%	0.464	34%	0.34	S	S	.	.	H	α-helix	trans	-68.5	-44.7	173.9	0	0	0	0	0	114.1	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.41Å; K104-G107 CarbonylContact O-C 3.52Å; K104-G107 WeakPolarHBondContact O-CA 3.38Å; K104-G107 PolarHBondContact O-N 2.78Å; K104-G107 VanDerWaalsContact O-N 3.13Å; L105-G107 PolarHBondContact O-N 2.63Å; L105-G107 VanDerWaalsContact O-N 3.13Å; G107-Y109 VanDerWaalsContact C-N 3.29Å; G107-Y109 PolarHBondContact O-N 3.47Å; G107-N110 PolarHBondContact O-N 2.83Å
108	Y	97.8	Very high	96.5	Very high	57 Å²	57	64.3 Å²	64.3	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-36.2	177.3	-64.6	-14	0	0	0	112.5	K104 L105 A163 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.43Å; K104-Y108 PolarHBondContact O-N 3.21Å; L105-Y108 HydrophobicContact CD2-CD2 4.39Å; L105-Y108 PolarHBondContact O-N 3.43Å; Y108-A163 HydrophobicContact CD2-CB 4.5Å; Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CD2-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.19Å; Y108-I166 HydrophobicContact CE2-CG2 4.18Å; Y108-I166 HydrophobicContact CG-CD1 4.19Å; Y108-K170 PolarHBondContact OH-NZ 2.86Å
109	Y	97.8	Very high	96.5	Very high	68 Å²	68	64.4 Å²	64.4	27%	0.267	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1.2	178.6	-68.5	-69.4	0	0	0	114.2	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.35Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.17Å; L105-Y109 PolarHBondContact O-N 3.25Å; G107-Y109 VanDerWaalsContact C-N 3.29Å; G107-Y109 PolarHBondContact O-N 3.47Å; Y109-Q111 PolarHBondContact O-N 3.37Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Y109-Y147 HydrophobicContact CE2-CD2 4.47Å; Y109-Y147 HydrophobicContact CE2-CE2 4.21Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.5Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 PolarHBondContact OH-OD1 3.33Å; Y109-D161 PolarHBondContact OH-OD2 2.66Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 4.06Å
110	N	96.7	Very high	96.6	Very high	150 Å²	150	65 Å²	65	80%	0.802	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	36.8	-177.4	-53.2	-76.1	0	0	0	113.8	R106 G107	R106-N110 PolarHBondContact O-N 3.15Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 2.83Å
111	Q	96.8	Very high	96.6	Very high	59 Å²	59	62.9 Å²	62.9	28%	0.276	33%	0.327	S	S	.	.			trans	-83.4	153.4	-177.9	-70.3	162.9	-43.8	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.72Å; R106-Q111 PolarHBondContact O-N 3.03Å; Y109-Q111 PolarHBondContact O-N 3.37Å; Q111-H117 PolarHBondContact NE2-CE1 2.93Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.25Å; Q111-H117 PolarHBondContact OE1-CE1 2.73Å; Q111-Y142 PolarHBondContact OE1-OH 3.27Å; Q111-D143 PolarHBondContact NE2-OD2 2.95Å
112	S	94.3	Very high	96.7	Very high	78 Å²	78	62.3 Å²	62.3	55%	0.545	32%	0.323	S	S	.	.			trans	-70.8	155	-178.5	55.7	0	0	0	0	113.2	R106 D114 G115	R106-S112 WeakPolarHBondContact CD-O 3.44Å; S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 3.14Å; S112-G115 PolarHBondContact O-N 3.42Å
113	E	90.8	Very high	96.7	Very high	131 Å²	131	63.2 Å²	63.2	61%	0.612	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.8	-179.9	-60.3	-141.6	103	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.2Å; P39-E113 WeakPolarHBondContact CG-O 3.47Å; R106-E113 IonicContact CZ-OE1 2.71Å; R106-E113 IonicContact NH1-OE1 4Å; R106-E113 PolarHBondContact NH1-OE1 2.84Å; R106-E113 IonicContact NH2-OE1 2.89Å; R106-E113 PolarHBondContact NH2-OE1 2.86Å; E113-G115 PolarHBondContact O-N 3.47Å
114	D	91.3	Very high	96.8	Very high	146 Å²	146	57.3 Å²	57.3	78%	0.781	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.8	179.9	-52.8	-55.9	0	0	0	113.2	S112	S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 3.14Å
115	G	93.1	Very high	96.9	Very high	17 Å²	17	52.5 Å²	52.5	18%	0.175	28%	0.283	C	S	.	.			trans	-71.7	126.3	178.3	0	0	0	0	0	113.5	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 3.38Å; P39-G115 VanDerWaalsContact CG-O 3.23Å; P39-G115 WeakPolarHBondContact CG-O 3.22Å; S112-G115 PolarHBondContact O-N 3.42Å; E113-G115 PolarHBondContact O-N 3.47Å; G115-H117 PolarHBondContact O-CD2 3.23Å
116	S	97.3	Very high	96.9	Very high	80 Å²	80	53.3 Å²	53.3	56%	0.559	29%	0.288	S	S	*	.			trans	-76.6	126.9	161.9	-172.8	0	0	0	0	108.5	S37	S37-S116 PolarHBondContact O-OG 2.91Å
117	H	98.3	Very high	96.9	Very high	15 Å²	15	50.6 Å²	50.6	7%	0.069	28%	0.278	C	S	.	.			trans	-131.1	149.7	-176.7	-66.3	-73	0	0	0	110.8	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.23Å; S37-H117 PolarHBondContact N-O 2.87Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.25Å; L102-H117 HydrophobicContact CD2-CB 4.26Å; Q111-H117 PolarHBondContact NE2-CE1 2.93Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.25Å; Q111-H117 PolarHBondContact OE1-CE1 2.73Å; G115-H117 PolarHBondContact O-CD2 3.23Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.41Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.96Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; H117-D143 WeakPolarHBondContact CA-OD1 3.3Å; H117-D143 WeakPolarHBondContact CB-OD1 3.48Å; H117-D143 IonicContact CE1-OD2 2.95Å; H117-D143 IonicContact CG-OD1 3.41Å; H117-D143 IonicContact CG-OD2 3.74Å; H117-D143 IonicContact ND1-OD1 3.11Å; H117-D143 PolarHBondContact ND1-OD1 3.28Å; H117-D143 IonicContact ND1-OD2 2.67Å; H117-D143 PolarHBondContact ND1-OD2 3.5Å
118	T	98.7	Very high	96.7	Very high	38 Å²	38	48.8 Å²	48.8	23%	0.233	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.8	-175.5	-61.9	0	0	0	0	110	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.15Å; A35-T118 WeakPolarHBondContact O-CA 3.46Å; V36-T118 HydrophobicContact CG2-CG2 4.3Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; T118-Y142 WeakPolarHBondContact O-CA 3.3Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.1Å; T118-D143 PolarHBondContact N-OD1 2.93Å; T118-D143 PolarHBondContact O-N 3.11Å
119	L	98.8	Very high	96.3	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.5	168.8	-178.8	60.4	0	0	0	107.9	T34 A35 D98 N101 L102 L105 Y140 Y142	T34-L119 WeakPolarHBondContact CA-O 3.48Å; A35-L119 HydrophobicContact CB-CB 4.48Å; A35-L119 PolarHBondContact N-O 2.93Å; A35-L119 PolarHBondContact O-N 3.39Å; D98-L119 HydrophobicContact CB-CD2 4.13Å; D98-L119 WeakPolarHBondContact OD1-CD2 3.45Å; N101-L119 HydrophobicContact CB-CD2 3.7Å; L102-L119 HydrophobicContact CD2-CB 3.68Å; L102-L119 HydrophobicContact CG-CB 4.1Å; L105-L119 HydrophobicContact CD1-CD1 3.65Å; L105-L119 HydrophobicContact CD1-CD2 4.11Å; L105-L119 HydrophobicContact CD1-CG 4.38Å; L119-Y140 HydrophobicContact CD1-CD1 3.66Å; L119-Y140 HydrophobicContact CD1-CE1 4.36Å; L119-Y140 HydrophobicContact CD2-CD1 4.43Å; L119-Y140 HydrophobicContact CD2-CE1 4.33Å; L119-Y140 HydrophobicContact CG-CD1 4.08Å; L119-Y140 HydrophobicContact CG-CE1 4.35Å; L119-Y142 HydrophobicContact CD1-CD2 4.46Å
120	Q	98.8	Very high	95.8	Very high	78 Å²	78	51.8 Å²	51.8	36%	0.364	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146	176.4	-69.1	170.6	-91.4	0	0	109.2	D33 T34 T118 Y140 A141	D33-Q120 WeakPolarHBondContact O-CA 3.14Å; T34-Q120 HydrophobicContact CG2-CG 4.06Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; Q120-Y140 CarbonylContact O-C 3.6Å; Q120-Y140 VanDerWaalsContact O-CA 3.3Å; Q120-Y140 WeakPolarHBondContact O-CA 3.02Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.95Å; Q120-A141 PolarHBondContact O-N 3.15Å
121	W	98.7	Very high	95.4	Very high	17 Å²	17	45.7 Å²	45.7	6%	0.064	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128.9	179.5	-177.6	41.1	0	0	0	109.7	F32 D33 Q94 Y123 E138 Q139 Y140 W180	F32-W121 WeakPolarHBondContact CA-O 3.38Å; D33-W121 HydrophobicContact CB-CB 4.23Å; D33-W121 HydrophobicContact CB-CE3 4.23Å; D33-W121 PolarHBondContact N-O 2.99Å; D33-W121 PolarHBondContact O-N 3.26Å; Q94-W121 HydrophobicContact CG-CE3 4.16Å; Q94-W121 HydrophobicContact CG-CZ3 3.91Å; W121-Y123 AromaticContact CD2-CD1 3.66Å; W121-Y123 HydrophobicContact CD2-CD1 3.66Å; W121-Y123 HydrophobicContact CD2-CE1 4.13Å; W121-Y123 AromaticContact CE2-CD1 3.56Å; W121-Y123 AromaticContact CE3-CD1 3.75Å; W121-Y123 HydrophobicContact CE3-CD1 3.75Å; W121-Y123 AromaticContact CE3-CE1 3.71Å; W121-Y123 HydrophobicContact CE3-CE1 3.71Å; W121-Y123 HydrophobicContact CG-CD1 4.43Å; W121-Y123 AromaticContact CH2-CD1 3.72Å; W121-Y123 HydrophobicContact CH2-CD1 3.72Å; W121-Y123 AromaticContact CH2-CE1 3.72Å; W121-Y123 HydrophobicContact CH2-CE1 3.72Å; W121-Y123 AromaticContact CZ2-CD1 3.62Å; W121-Y123 HydrophobicContact CZ2-CD1 3.62Å; W121-Y123 HydrophobicContact CZ2-CE1 4.12Å; W121-Y123 HydrophobicContact CZ2-CG 4.21Å; W121-Y123 AromaticContact CZ3-CD1 3.77Å; W121-Y123 HydrophobicContact CZ3-CD1 3.77Å; W121-Y123 AromaticContact CZ3-CE1 3.48Å; W121-Y123 HydrophobicContact CZ3-CE1 3.48Å; W121-Y123 VanDerWaalsContact CZ3-CE1 3.48Å; W121-E138 PolarHBondContact NE1-OE1 3.3Å; W121-Q139 WeakPolarHBondContact CA-O 3.24Å; W121-Y140 HydrophobicContact CB-CD1 3.71Å; W121-Y140 HydrophobicContact CB-CE1 3.54Å; W121-Y140 HydrophobicContact CB-CG 4.33Å; W121-Y140 AromaticContact CD1-CD1 3.9Å; W121-Y140 AromaticContact CD1-CD2 3.38Å; W121-Y140 AromaticContact CD1-CE1 3.77Å; W121-Y140 AromaticContact CD1-CE2 3.2Å; W121-Y140 AromaticContact CD1-CG 3.74Å; W121-Y140 AromaticContact CD1-CZ 3.4Å; W121-Y140 VanDerWaalsContact CD1-CZ 3.4Å; W121-Y140 HydrophobicContact CD2-CE1 4.1Å; W121-Y140 HydrophobicContact CD2-CE2 4.08Å; W121-Y140 AromaticContact CD2-CZ 3.62Å; W121-Y140 AromaticContact CE2-CE2 3.73Å; W121-Y140 AromaticContact CE2-CZ 3.69Å; W121-Y140 AromaticContact CG-CD1 3.94Å; W121-Y140 HydrophobicContact CG-CD1 3.94Å; W121-Y140 HydrophobicContact CG-CD2 4.17Å; W121-Y140 AromaticContact CG-CE1 3.56Å; W121-Y140 HydrophobicContact CG-CE1 3.56Å; W121-Y140 AromaticContact CG-CE2 3.77Å; W121-Y140 HydrophobicContact CG-CE2 3.77Å; W121-Y140 HydrophobicContact CG-CG 4.25Å; W121-Y140 AromaticContact CG-CZ 3.44Å; W121-Y140 VanDerWaalsContact CG-CZ 3.44Å; W121-Y140 HydrophobicContact CZ2-CE2 4.47Å; W121-Y140 AromaticContact NE1-CD2 3.7Å; W121-Y140 AromaticContact NE1-CE2 3.16Å; W121-Y140 AromaticContact NE1-CZ 3.55Å; W121-W180 AromaticContact CH2-CH2 3.54Å; W121-W180 HydrophobicContact CH2-CH2 3.54Å; W121-W180 AromaticContact CH2-CZ2 3.68Å; W121-W180 HydrophobicContact CH2-CZ2 3.68Å; W121-W180 AromaticContact CZ2-CH2 3.34Å; W121-W180 HydrophobicContact CZ2-CH2 3.34Å; W121-W180 AromaticContact CZ2-CZ2 3.31Å; W121-W180 HydrophobicContact CZ2-CZ2 3.31Å; W121-W180 HydrophobicContact CZ2-CZ3 4.3Å
122	M	98.7	Very high	95.3	Very high	25 Å²	25	50.9 Å²	50.9	12%	0.123	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.2	173.3	-170.9	-78.8	-71.8	0	0	108.8	Y31 F32 Y137 E138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.18Å; F32-M122 HydrophobicContact CD1-CB 4.06Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.28Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CG-CG 4.37Å; F32-M122 HydrophobicContact CZ-CG 4.07Å; M122-Y137 HydrophobicContact CE-CD1 3.94Å; M122-Y137 HydrophobicContact CE-CG 4.1Å; M122-E138 CarbonylContact O-C 3.57Å; M122-E138 WeakPolarHBondContact O-CA 3.12Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 3.93Å; M122-Q139 VanDerWaalsContact CE-OE1 3.29Å; M122-Q139 PolarHBondContact N-O 3.24Å; M122-Q139 PolarHBondContact O-N 2.91Å
123	Y	98.8	Very high	95.4	Very high	27 Å²	27	49.5 Å²	49.5	11%	0.106	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.5	173.3	67.8	-92.8	0	0	0	110.5	Y31 W121 Y137 W180 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.2Å; Y31-Y123 AromaticContact CD2-CE2 3.46Å; Y31-Y123 HydrophobicContact CD2-CE2 3.46Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.46Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CE2-CE2 4.23Å; Y31-Y123 HydrophobicContact CG-CE1 4.35Å; Y31-Y123 AromaticContact CG-CE2 3.75Å; Y31-Y123 HydrophobicContact CG-CE2 3.75Å; Y31-Y123 AromaticContact CG-CZ 3.6Å; Y31-Y123 PolarHBondContact N-O 2.71Å; Y31-Y123 PolarHBondContact O-N 2.72Å; W121-Y123 AromaticContact CD2-CD1 3.66Å; W121-Y123 HydrophobicContact CD2-CD1 3.66Å; W121-Y123 HydrophobicContact CD2-CE1 4.13Å; W121-Y123 AromaticContact CE2-CD1 3.56Å; W121-Y123 AromaticContact CE3-CD1 3.75Å; W121-Y123 HydrophobicContact CE3-CD1 3.75Å; W121-Y123 AromaticContact CE3-CE1 3.71Å; W121-Y123 HydrophobicContact CE3-CE1 3.71Å; W121-Y123 HydrophobicContact CG-CD1 4.43Å; W121-Y123 AromaticContact CH2-CD1 3.72Å; W121-Y123 HydrophobicContact CH2-CD1 3.72Å; W121-Y123 AromaticContact CH2-CE1 3.72Å; W121-Y123 HydrophobicContact CH2-CE1 3.72Å; W121-Y123 AromaticContact CZ2-CD1 3.62Å; W121-Y123 HydrophobicContact CZ2-CD1 3.62Å; W121-Y123 HydrophobicContact CZ2-CE1 4.12Å; W121-Y123 HydrophobicContact CZ2-CG 4.21Å; W121-Y123 AromaticContact CZ3-CD1 3.77Å; W121-Y123 HydrophobicContact CZ3-CD1 3.77Å; W121-Y123 AromaticContact CZ3-CE1 3.48Å; W121-Y123 HydrophobicContact CZ3-CE1 3.48Å; W121-Y123 VanDerWaalsContact CZ3-CE1 3.48Å; Y123-Y137 VanDerWaalsContact CA-O 3.24Å; Y123-Y137 WeakPolarHBondContact CA-O 3.44Å; Y123-Y137 WeakPolarHBondContact CB-O 3.34Å; Y123-W180 HydrophobicContact CD2-CZ3 4.22Å; Y123-W180 HydrophobicContact CG-CH2 4.5Å; Y123-W180 HydrophobicContact CG-CZ3 4.29Å; Y123-Y183 AromaticContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CE2-CE1 4.13Å
124	G	98.6	Very high	95.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-178.4	-177.6	0	0	0	0	0	114.5	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; G124-Y137 PolarHBondContact N-O 3.16Å; G124-Y137 PolarHBondContact O-N 3.42Å; G124-L184 WeakPolarHBondContact O-CD2 3.35Å
125	C	98.5	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.7	-177.9	53.1	0	0	0	0	111.2	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.51Å; S28-C125 WeakPolarHBondContact CA-O 3.43Å; M29-C125 PolarHBondContact N-O 2.77Å; M29-C125 PolarHBondContact O-N 3.02Å; C125-L133 HydrophobicContact CB-CD1 3.53Å; C125-R135 CarbonylContact C-O 3.48Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 2.92Å; C125-C188 PolarHBondContact N-SG 3.29Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.19Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.93Å
126	D	98	Very high	96.2	Very high	24 Å²	24	45.9 Å²	45.9	13%	0.128	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.5	172.2	-59.6	-5.3	0	0	0	108.9	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.42Å; S28-D126 WeakPolarHBondContact CB-OD1 3.35Å; R30-D126 IonicContact CZ-OD1 3.43Å; R30-D126 VanDerWaalsContact CZ-OD1 3.26Å; R30-D126 IonicContact CZ-OD2 2.7Å; R30-D126 IonicContact NE-OD1 3.67Å; R30-D126 PolarHBondContact NE-OD1 3.37Å; R30-D126 IonicContact NH2-OD1 2.8Å; R30-D126 PolarHBondContact NH2-OD1 3.08Å; R30-D126 IonicContact NH2-OD2 3.73Å; R30-D126 PolarHBondContact NH2-OD2 3.18Å; D126-L134 PolarHBondContact O-N 3.14Å; D126-R135 HydrophobicContact CB-CB 4.42Å; D126-R135 PolarHBondContact N-O 3.04Å; D126-R135 PolarHBondContact O-N 2.95Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.29Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.38Å; D126-Y137 PolarHBondContact OD2-OH 3.34Å; D126-Y137 VanDerWaalsContact OD2-OH 3.06Å
127	L	96.6	Very high	96.2	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.5	173.8	-55.1	-177.1	0	0	0	110.3	S26 H27 R132 V189 L192 R193 L196	S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.4Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å; H27-L127 PolarHBondContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 2.87Å; L127-R132 CarbonylContact C-O 3.6Å; L127-R132 WeakPolarHBondContact CA-O 3.47Å; L127-V189 HydrophobicContact CD2-CB 4.17Å; L127-V189 HydrophobicContact CD2-CG1 3.8Å; L127-V189 HydrophobicContact CD2-CG2 3.82Å; L127-L192 HydrophobicContact CD1-CB 4.37Å; L127-L192 HydrophobicContact CD1-CD2 3.78Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CD2-CD2 4.44Å; L127-L192 HydrophobicContact CG-CD2 3.61Å; L127-L192 HydrophobicContact CG-CG 4.19Å; L127-R193 HydrophobicContact CD1-CG 3.91Å; L127-L196 HydrophobicContact CD1-CD1 4.42Å
128	G	93.1	Very high	96.2	Very high	7 Å²	7	43.4 Å²	43.4	7%	0.072	22%	0.217	C	C	.	.			trans	-71.8	175.2	164.8	0	0	0	0	0	112	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.91Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.28Å; G128-G131 PolarHBondContact O-N 2.82Å; G128-R132 PolarHBondContact N-O 2.85Å
129	P	88.3	Confident	96.2	Very high	89 Å²	89	45 Å²	45	58%	0.578	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.6	-179.2	-18.7	30.3	0	0	0	113.9	A24 G131	A24-P129 HydrophobicContact CB-CB 3.95Å; A24-P129 HydrophobicContact CB-CG 3.28Å; A24-P129 WeakPolarHBondContact O-CG 3.5Å; P129-G131 PolarHBondContact O-N 3.31Å
130	D	88.2	Confident	96.2	Very high	99 Å²	99	45.8 Å²	45.8	53%	0.529	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	5.2	172.7	75.4	-17.7	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.91Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 2.71Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 PolarHBondContact OD1-N 2.79Å; D130-R132 WeakPolarHBondContact OD2-CD 3.35Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.29Å; D130-R132 IonicContact OD2-CZ 3.03Å; D130-R132 IonicContact OD2-NE 3.14Å; D130-R132 PolarHBondContact OD2-NE 3.28Å; D130-R132 IonicContact OD2-NH1 3.46Å
131	G	88.4	Confident	96.2	Very high	21 Å²	21	42.9 Å²	42.9	22%	0.216	21%	0.214	C	C	.	.	S	Bend	trans	70.7	10.2	-179	0	0	0	0	0	114.4	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.28Å; G128-G131 PolarHBondContact O-N 2.82Å; P129-G131 PolarHBondContact O-N 3.31Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 3.02Å; G131-R193 PolarHBondContact O-NH2 2.92Å
132	R	93.7	Very high	96.2	Very high	169 Å²	169	42.6 Å²	42.6	64%	0.638	21%	0.213	S	C	*	.	S	Bend	trans	-90.6	157.3	177.9	-60	-174.7	-171.1	165.9	0.1	111.4	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.6Å; L127-R132 WeakPolarHBondContact CA-O 3.47Å; G128-R132 PolarHBondContact N-O 2.85Å; D130-R132 PolarHBondContact O-N 2.71Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 PolarHBondContact OD1-N 2.79Å; D130-R132 WeakPolarHBondContact OD2-CD 3.35Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.29Å; D130-R132 IonicContact OD2-CZ 3.03Å; D130-R132 IonicContact OD2-NE 3.14Å; D130-R132 PolarHBondContact OD2-NE 3.28Å; D130-R132 IonicContact OD2-NH1 3.46Å; R132-L134 PolarHBondContact O-N 3.22Å; R132-L134 VanDerWaalsContact O-N 3.08Å
133	L	96.8	Very high	96.2	Very high	49 Å²	49	44.4 Å²	44.4	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	115.8	173.6	-175.3	72.9	0	0	0	109.9	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.53Å; L133-R135 VanDerWaalsContact CD1-O 3.27Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; L133-L154 HydrophobicContact CD2-CD1 4.04Å; L133-E185 HydrophobicContact CD2-CB 4.45Å; L133-E185 HydrophobicContact CD2-CG 3.74Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 4.14Å
134	L	96.5	Very high	96.1	Very high	120 Å²	120	45.9 Å²	45.9	63%	0.628	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	-44.2	170.2	178.3	62.6	0	0	0	110	D126 R132	D126-L134 PolarHBondContact O-N 3.14Å; R132-L134 PolarHBondContact O-N 3.22Å; R132-L134 VanDerWaalsContact O-N 3.08Å
135	R	96.9	Very high	96.1	Very high	91 Å²	91	53.5 Å²	53.5	34%	0.343	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143.4	-177.8	-172.1	163.4	172	134.2	10.5	111.8	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.48Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; D126-R135 HydrophobicContact CB-CB 4.42Å; D126-R135 PolarHBondContact N-O 3.04Å; D126-R135 PolarHBondContact O-N 2.95Å; L133-R135 VanDerWaalsContact CD1-O 3.27Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; R135-Y137 HydrophobicContact CB-CE2 4.06Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.21Å; R135-Y137 HydrophobicContact CG-CD2 4.33Å; R135-Y137 HydrophobicContact CG-CE1 4.34Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 PolarHBondContact NE-OH 2.67Å; R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.43Å; R135-E152 IonicContact NH1-OE1 3.59Å; R135-E152 PolarHBondContact NH1-OE1 3.41Å; R135-E152 IonicContact NH1-OE2 3.84Å; R135-E152 VanDerWaalsContact NH2-CG 3.33Å; R135-E152 IonicContact NH2-OE1 3.86Å; R135-E152 PolarHBondContact NH2-OE1 2.63Å
136	G	98.1	Very high	96.1	Very high	6 Å²	6	59.2 Å²	59.2	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	152.3	169.9	0	0	0	0	0	111.1
137	Y	98.3	Very high	96.2	Very high	42 Å²	42	58.5 Å²	58.5	17%	0.165	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.6	-178.5	-59.2	-98.3	0	0	0	110.8	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.05Å; M122-Y137 HydrophobicContact CE-CD1 3.94Å; M122-Y137 HydrophobicContact CE-CG 4.1Å; Y123-Y137 VanDerWaalsContact CA-O 3.24Å; Y123-Y137 WeakPolarHBondContact CA-O 3.44Å; Y123-Y137 WeakPolarHBondContact CB-O 3.34Å; G124-Y137 PolarHBondContact N-O 3.16Å; G124-Y137 PolarHBondContact O-N 3.42Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.29Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.38Å; D126-Y137 PolarHBondContact OD2-OH 3.34Å; D126-Y137 VanDerWaalsContact OD2-OH 3.06Å; R135-Y137 HydrophobicContact CB-CE2 4.06Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.21Å; R135-Y137 HydrophobicContact CG-CD2 4.33Å; R135-Y137 HydrophobicContact CG-CE1 4.34Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 PolarHBondContact NE-OH 2.67Å
138	E	98.3	Very high	96.3	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	119.2	165.6	-160.5	-72.5	170.1	0	0	105.2	W121 M122 Y140 A149 L150 W157 W180	W121-E138 PolarHBondContact NE1-OE1 3.3Å; M122-E138 CarbonylContact O-C 3.57Å; M122-E138 WeakPolarHBondContact O-CA 3.12Å; E138-Y140 WeakPolarHBondContact OE1-CE2 3.4Å; E138-A149 WeakPolarHBondContact O-CA 3.37Å; E138-L150 HydrophobicContact CB-CB 3.78Å; E138-L150 HydrophobicContact CB-CD2 4.09Å; E138-L150 PolarHBondContact O-N 2.96Å; E138-W157 WeakPolarHBondContact OE2-CZ3 3.45Å; E138-W180 HydrophobicContact CB-CD2 4.5Å; E138-W180 HydrophobicContact CG-CD2 3.69Å; E138-W180 HydrophobicContact CG-CE3 4Å; E138-W180 HydrophobicContact CG-CG 4.03Å; E138-W180 HydrophobicContact CG-CZ2 4.48Å
139	Q	98.6	Very high	96.6	Very high	71 Å²	71	59.5 Å²	59.5	33%	0.332	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	134.2	178.9	57.5	-172.7	90.8	0	0	112.4	W121 M122 I148 A149	W121-Q139 WeakPolarHBondContact CA-O 3.24Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 3.93Å; M122-Q139 VanDerWaalsContact CE-OE1 3.29Å; M122-Q139 PolarHBondContact N-O 3.24Å; M122-Q139 PolarHBondContact O-N 2.91Å; Q139-I148 WeakPolarHBondContact CA-O 3.39Å; Q139-A149 HydrophobicContact CB-CB 3.76Å
140	Y	98.8	Very high	97.1	Very high	21 Å²	21	56 Å²	56	8%	0.082	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.4	172.8	-79.2	-93.7	0	0	0	111.3	Q94 L119 Q120 W121 E138 Y147 I148 W171	Q94-Y140 PolarHBondContact NE2-OH 3.19Å; L119-Y140 HydrophobicContact CD1-CD1 3.66Å; L119-Y140 HydrophobicContact CD1-CE1 4.36Å; L119-Y140 HydrophobicContact CD2-CD1 4.43Å; L119-Y140 HydrophobicContact CD2-CE1 4.33Å; L119-Y140 HydrophobicContact CG-CD1 4.08Å; L119-Y140 HydrophobicContact CG-CE1 4.35Å; Q120-Y140 CarbonylContact O-C 3.6Å; Q120-Y140 VanDerWaalsContact O-CA 3.3Å; Q120-Y140 WeakPolarHBondContact O-CA 3.02Å; W121-Y140 HydrophobicContact CB-CD1 3.71Å; W121-Y140 HydrophobicContact CB-CE1 3.54Å; W121-Y140 HydrophobicContact CB-CG 4.33Å; W121-Y140 AromaticContact CD1-CD1 3.9Å; W121-Y140 AromaticContact CD1-CD2 3.38Å; W121-Y140 AromaticContact CD1-CE1 3.77Å; W121-Y140 AromaticContact CD1-CE2 3.2Å; W121-Y140 AromaticContact CD1-CG 3.74Å; W121-Y140 AromaticContact CD1-CZ 3.4Å; W121-Y140 VanDerWaalsContact CD1-CZ 3.4Å; W121-Y140 HydrophobicContact CD2-CE1 4.1Å; W121-Y140 HydrophobicContact CD2-CE2 4.08Å; W121-Y140 AromaticContact CD2-CZ 3.62Å; W121-Y140 AromaticContact CE2-CE2 3.73Å; W121-Y140 AromaticContact CE2-CZ 3.69Å; W121-Y140 AromaticContact CG-CD1 3.94Å; W121-Y140 HydrophobicContact CG-CD1 3.94Å; W121-Y140 HydrophobicContact CG-CD2 4.17Å; W121-Y140 AromaticContact CG-CE1 3.56Å; W121-Y140 HydrophobicContact CG-CE1 3.56Å; W121-Y140 AromaticContact CG-CE2 3.77Å; W121-Y140 HydrophobicContact CG-CE2 3.77Å; W121-Y140 HydrophobicContact CG-CG 4.25Å; W121-Y140 AromaticContact CG-CZ 3.44Å; W121-Y140 VanDerWaalsContact CG-CZ 3.44Å; W121-Y140 HydrophobicContact CZ2-CE2 4.47Å; W121-Y140 AromaticContact NE1-CD2 3.7Å; W121-Y140 AromaticContact NE1-CE2 3.16Å; W121-Y140 AromaticContact NE1-CZ 3.55Å; E138-Y140 WeakPolarHBondContact OE1-CE2 3.4Å; Y140-Y147 WeakPolarHBondContact O-CB 3.12Å; Y140-Y147 PolarHBondContact O-N 2.79Å; Y140-I148 HydrophobicContact CD2-CG2 4.45Å; Y140-I148 PolarHBondContact N-O 3.47Å; Y140-I148 PolarHBondContact O-N 2.96Å; Y140-W171 AromaticContact CD2-CH2 3.73Å; Y140-W171 HydrophobicContact CD2-CH2 3.73Å; Y140-W171 AromaticContact CE2-CH2 3.63Å; Y140-W171 HydrophobicContact CE2-CH2 3.63Å; Y140-W171 HydrophobicContact CE2-CZ2 4.26Å
141	A	98.8	Very high	97.6	Very high	18 Å²	18	53.4 Å²	53.4	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144	167.9	0	0	0	0	0	110.5	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 2.95Å; Q120-A141 PolarHBondContact O-N 3.15Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.28Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	59 Å²	59	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.6	178.6	-173.9	-121.5	0	0	0	110.7	L102 L105 R106 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.07Å; L105-Y142 HydrophobicContact CB-CD1 4.28Å; L105-Y142 HydrophobicContact CB-CD2 4.23Å; L105-Y142 HydrophobicContact CB-CE1 3.9Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.63Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.03Å; L105-Y142 HydrophobicContact CG-CD2 4.48Å; R106-Y142 PolarHBondContact N-OH 2.66Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Q111-Y142 PolarHBondContact OE1-OH 3.27Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.41Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.96Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; T118-Y142 WeakPolarHBondContact O-CA 3.3Å; T118-Y142 VanDerWaalsContact O-CD2 3.28Å; T118-Y142 WeakPolarHBondContact O-CD2 3.1Å; L119-Y142 HydrophobicContact CD1-CD2 4.46Å; Y142-G144 PolarHBondContact O-N 3.09Å; Y142-G144 VanDerWaalsContact O-N 3.15Å; Y142-K145 PolarHBondContact N-O 3.41Å; Y142-K145 PolarHBondContact O-N 3.13Å
143	D	98.3	Very high	98.2	Very high	63 Å²	63	54.5 Å²	54.5	34%	0.337	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	39.5	-173.7	-65.2	-21.7	0	0	0	113.2	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 2.95Å; H117-D143 WeakPolarHBondContact CA-OD1 3.3Å; H117-D143 WeakPolarHBondContact CB-OD1 3.48Å; H117-D143 IonicContact CE1-OD2 2.95Å; H117-D143 IonicContact CG-OD1 3.41Å; H117-D143 IonicContact CG-OD2 3.74Å; H117-D143 IonicContact ND1-OD1 3.11Å; H117-D143 PolarHBondContact ND1-OD1 3.28Å; H117-D143 IonicContact ND1-OD2 2.67Å; H117-D143 PolarHBondContact ND1-OD2 3.5Å; T118-D143 PolarHBondContact N-OD1 2.93Å; T118-D143 PolarHBondContact O-N 3.11Å
144	G	97.6	Very high	98.2	Very high	58 Å²	58	52.7 Å²	52.7	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	13.7	178.3	0	0	0	0	0	115.6	Y142	Y142-G144 PolarHBondContact O-N 3.09Å; Y142-G144 VanDerWaalsContact O-N 3.15Å
145	K	98.5	Very high	98.3	Very high	160 Å²	160	55.1 Å²	55.1	70%	0.696	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	147	176.6	-61.4	179	-176.9	176.9	0	110.9	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.28Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å; Y142-K145 PolarHBondContact N-O 3.41Å; Y142-K145 PolarHBondContact O-N 3.13Å; K145-Y147 PolarHBondContact O-N 3.44Å
146	D	98.8	Very high	98.3	Very high	120 Å²	120	52.8 Å²	52.8	64%	0.642	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.3	137.4	174	-62.3	-32.7	0	0	0	111.1	A160	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.26Å
147	Y	98.8	Very high	98.4	Very high	8 Å²	8	53 Å²	53	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-64.4	178.5	-179.7	-115.6	0	0	0	110.4	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.27Å; L105-Y147 HydrophobicContact CD2-CD2 4.23Å; L105-Y147 HydrophobicContact CD2-CE1 3.66Å; L105-Y147 HydrophobicContact CD2-CE2 3.61Å; Y109-Y147 HydrophobicContact CE2-CD2 4.47Å; Y109-Y147 HydrophobicContact CE2-CE2 4.21Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.5Å; Y140-Y147 WeakPolarHBondContact O-CB 3.12Å; Y140-Y147 PolarHBondContact O-N 2.79Å; K145-Y147 PolarHBondContact O-N 3.44Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 2.82Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A163 PolarHBondContact OH-O 3.35Å; Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 VanDerWaalsContact CE2-CA 3.41Å; Y147-A164 HydrophobicContact CE2-CB 3.66Å; Y147-A164 HydrophobicContact CG-CB 4.38Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 WeakPolarHBondContact OH-CB 3.4Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å
148	I	98.8	Very high	98.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	143.1	177.9	-165.2	170.6	0	0	0	109.9	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.39Å; Y140-I148 HydrophobicContact CD2-CG2 4.45Å; Y140-I148 PolarHBondContact N-O 3.47Å; Y140-I148 PolarHBondContact O-N 2.96Å; I148-W157 HydrophobicContact CD1-CB 4.26Å; I148-W157 HydrophobicContact CD1-CD2 4.44Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.39Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T167 HydrophobicContact CD1-CG2 4.28Å; I148-Q168 HydrophobicContact CD1-CB 3.84Å; I148-W171 HydrophobicContact CD1-CE3 3.9Å; I148-W171 HydrophobicContact CD1-CZ3 4.15Å; I148-W171 HydrophobicContact CG2-CE3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 3.95Å; I148-W171 HydrophobicContact CG2-CZ3 3.63Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	55.7 Å²	55.7	25%	0.248	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.7	177.1	0	0	0	0	0	111.6	E138 Q139 W157 T158	E138-A149 WeakPolarHBondContact O-CA 3.37Å; Q139-A149 HydrophobicContact CB-CB 3.76Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; A149-T158 PolarHBondContact N-O 3.35Å; A149-T158 PolarHBondContact O-N 3.32Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.9	168.6	-175.5	66.1	0	0	0	109	E138 L154 W157 A177 W180 L184	E138-L150 HydrophobicContact CB-CB 3.78Å; E138-L150 HydrophobicContact CB-CD2 4.09Å; E138-L150 PolarHBondContact O-N 2.96Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.04Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; L150-A177 HydrophobicContact CD1-CB 3.87Å; L150-W180 HydrophobicContact CD2-CB 3.96Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	56.7 Å²	56.7	24%	0.235	31%	0.314	C	S	.	.			trans	-74.3	162.7	179.9	-66.6	-28.1	0	0	0	111.6	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.87Å; N151-L154 PolarHBondContact O-N 2.87Å; N151-S156 WeakPolarHBondContact CB-O 3.31Å; N151-S156 PolarHBondContact N-O 3.45Å; N151-S156 PolarHBondContact ND2-O 2.65Å; N151-S156 PolarHBondContact ND2-OG 2.95Å; N151-T158 PolarHBondContact ND2-OG1 3.49Å; N151-T158 WeakPolarHBondContact OD1-CB 3.33Å; N151-T158 PolarHBondContact OD1-OG1 3.26Å
152	E	97.7	Very high	98.4	Very high	138 Å²	138	61.1 Å²	61.1	65%	0.645	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.4	-179.7	-63	177.3	-162	0	0	114	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.43Å; R135-E152 IonicContact NH1-OE1 3.59Å; R135-E152 PolarHBondContact NH1-OE1 3.41Å; R135-E152 IonicContact NH1-OE2 3.84Å; R135-E152 VanDerWaalsContact NH2-CG 3.33Å; R135-E152 IonicContact NH2-OE1 3.86Å; R135-E152 PolarHBondContact NH2-OE1 2.63Å; E152-L154 PolarHBondContact O-N 2.89Å
153	D	97.5	Very high	98.3	Very high	76 Å²	76	60.8 Å²	60.8	41%	0.406	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.8	173.3	71.5	-0.3	0	0	0	114.1	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.87Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.3Å; D153-R155 PolarHBondContact O-N 3.43Å; D153-R155 PolarHBondContact OD1-N 3.22Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.5Å; D153-S156 PolarHBondContact OD1-OG 3.12Å; D153-S156 VanDerWaalsContact OD1-OG 3.14Å; D153-S156 WeakPolarHBondContact OD2-CB 3.36Å; D153-S156 PolarHBondContact OD2-OG 2.94Å
154	L	98	Very high	98.3	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.058	32%	0.323	C	S	.	.	S	Bend	trans	52.1	31.9	-173.6	-53.3	-178.6	0	0	0	113.4	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.04Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; N151-L154 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 2.89Å; L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.81Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-R181 WeakPolarHBondContact O-CD 3.36Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; L154-E185 HydrophobicContact CD1-CG 4.31Å
155	R	97.6	Very high	98.4	Very high	170 Å²	170	58.6 Å²	58.6	64%	0.642	31%	0.311	S	S	*	.	S	Bend	trans	-138.9	-33.5	-173.8	-69.4	165.4	-170.5	-129.1	4	113.5	D153	D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.3Å; D153-R155 PolarHBondContact O-N 3.43Å; D153-R155 PolarHBondContact OD1-N 3.22Å
156	S	98.1	Very high	98.4	Very high	42 Å²	42	53.8 Å²	53.8	29%	0.294	29%	0.293	S	S	.	.			trans	-114.4	161.4	-177.3	63.2	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.31Å; N151-S156 PolarHBondContact N-O 3.45Å; N151-S156 PolarHBondContact ND2-O 2.65Å; N151-S156 PolarHBondContact ND2-OG 2.95Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.5Å; D153-S156 PolarHBondContact OD1-OG 3.12Å; D153-S156 VanDerWaalsContact OD1-OG 3.14Å; D153-S156 WeakPolarHBondContact OD2-CB 3.36Å; D153-S156 PolarHBondContact OD2-OG 2.94Å
157	W	98.8	Very high	98.4	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142	-175.6	-63.3	97.5	0	0	0	110.8	E138 I148 A149 L150 Q168 W171 E176 A177	E138-W157 WeakPolarHBondContact OE2-CZ3 3.45Å; I148-W157 HydrophobicContact CD1-CB 4.26Å; I148-W157 HydrophobicContact CD1-CD2 4.44Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.39Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; L150-W157 HydrophobicContact CB-CE3 4.02Å; L150-W157 HydrophobicContact CB-CH2 4.04Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.93Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-Q168 PolarHBondContact O-NE2 3.46Å; W157-W171 AromaticContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CE3 3.96Å; W157-W171 AromaticContact CE2-CE3 3.85Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.91Å; W157-W171 HydrophobicContact CE3-CZ3 3.91Å; W157-W171 AromaticContact CH2-CE3 3.5Å; W157-W171 HydrophobicContact CH2-CE3 3.5Å; W157-W171 VanDerWaalsContact CH2-CE3 3.5Å; W157-W171 AromaticContact CH2-CZ3 3.53Å; W157-W171 HydrophobicContact CH2-CZ3 3.53Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CZ3 4.17Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; W157-E176 HydrophobicContact CZ2-CB 4.21Å; W157-A177 HydrophobicContact CZ2-CB 4.15Å
158	T	98.8	Very high	98.4	Very high	79 Å²	79	50.4 Å²	50.4	49%	0.485	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.3	166.1	-67.2	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.43Å; A149-T158 PolarHBondContact N-O 3.35Å; A149-T158 PolarHBondContact O-N 3.32Å; N151-T158 PolarHBondContact ND2-OG1 3.49Å; N151-T158 WeakPolarHBondContact OD1-CB 3.33Å; N151-T158 PolarHBondContact OD1-OG1 3.26Å
159	A	98.7	Very high	98.4	Very high	22 Å²	22	57.4 Å²	57.4	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129	174.5	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.64Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.35Å; A159-Q168 VanDerWaalsContact CB-OE1 3.27Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	61.5 Å²	61.5	50%	0.496	31%	0.313	S	S	.	.	S	Bend	trans	-71.8	-30.7	-176.6	0	0	0	0	0	113.6	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.26Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 2.82Å
161	D	98.4	Very high	98.3	Very high	52 Å²	52	63.1 Å²	63.1	28%	0.278	32%	0.318	S	S	.	.	S	Bend	trans	-149.4	-174.5	-178.4	70.4	28.4	0	0	0	113.9	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 PolarHBondContact OH-OD1 3.33Å; Y109-D161 PolarHBondContact OH-OD2 2.66Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 2.95Å; D161-A163 WeakPolarHBondContact OD1-CA 3.4Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 2.67Å; D161-A164 WeakPolarHBondContact O-CB 3.41Å; D161-A164 PolarHBondContact O-N 2.84Å; D161-A164 PolarHBondContact OD1-N 2.87Å; D161-Q165 WeakPolarHBondContact O-CG 3.44Å; D161-Q165 PolarHBondContact O-N 2.85Å
162	T	98.2	Very high	98.3	Very high	111 Å²	111	65.5 Å²	65.5	68%	0.681	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.7	-179.8	51	0	0	0	0	114.4
163	A	98	Very high	98.3	Very high	5 Å²	5	63.1 Å²	63.1	4%	0.041	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-35.2	173.8	0	0	0	0	0	111.1	Y108 Y109 Y147 D161 I166	Y108-A163 HydrophobicContact CD2-CB 4.5Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 4.06Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A163 PolarHBondContact OH-O 3.35Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 2.95Å; D161-A163 WeakPolarHBondContact OD1-CA 3.4Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 2.67Å; A163-I166 WeakPolarHBondContact O-CB 3.5Å; A163-I166 PolarHBondContact O-N 2.9Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-38.3	170.5	0	0	0	0	0	112.5	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 VanDerWaalsContact CE2-CA 3.41Å; Y147-A164 HydrophobicContact CE2-CB 3.66Å; Y147-A164 HydrophobicContact CG-CB 4.38Å; Y147-A164 WeakPolarHBondContact O-CB 3.49Å; A159-A164 HydrophobicContact CB-CB 3.64Å; D161-A164 WeakPolarHBondContact O-CB 3.41Å; D161-A164 PolarHBondContact O-N 2.84Å; D161-A164 PolarHBondContact OD1-N 2.87Å; A164-I166 PolarHBondContact O-N 2.89Å; A164-I166 VanDerWaalsContact O-N 3.13Å; A164-T167 WeakPolarHBondContact O-CA 3.39Å; A164-T167 WeakPolarHBondContact O-CB 3.45Å; A164-T167 PolarHBondContact O-N 2.98Å; A164-Q168 PolarHBondContact O-N 3.01Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	68.7 Å²	68.7	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-26.1	173.6	-73.3	175.2	20.3	0	0	113.6	A159 D161 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.44Å; D161-Q165 PolarHBondContact O-N 2.85Å; Q165-R169 VanDerWaalsContact O-CG 3.29Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 3.27Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.1Å
166	I	98.3	Very high	98.4	Very high	60 Å²	60	63 Å²	63	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-68	-38.8	174.1	-53.5	174.7	0	0	0	110.5	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CD2-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.19Å; Y108-I166 HydrophobicContact CE2-CG2 4.18Å; Y108-I166 HydrophobicContact CG-CD1 4.19Å; A163-I166 WeakPolarHBondContact O-CB 3.5Å; A163-I166 PolarHBondContact O-N 2.9Å; A164-I166 PolarHBondContact O-N 2.89Å; A164-I166 VanDerWaalsContact O-N 3.13Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å
167	T	98.3	Very high	98.4	Very high	17 Å²	17	61.4 Å²	61.4	10%	0.104	33%	0.327	C	S	.	.	H	α-helix	trans	-75.1	-44.6	177.6	-65.5	0	0	0	0	110.9	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.26Å; Y147-T167 WeakPolarHBondContact OH-CB 3.4Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å; I148-T167 HydrophobicContact CD1-CG2 4.28Å; A164-T167 WeakPolarHBondContact O-CA 3.39Å; A164-T167 WeakPolarHBondContact O-CB 3.45Å; A164-T167 PolarHBondContact O-N 2.98Å; T167-R169 PolarHBondContact O-N 2.98Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 3.38Å; T167-W171 HydrophobicContact CG2-CD2 3.75Å; T167-W171 HydrophobicContact CG2-CE3 4.22Å; T167-W171 HydrophobicContact CG2-CG 4.2Å; T167-W171 HydrophobicContact CG2-CH2 4.34Å; T167-W171 HydrophobicContact CG2-CZ2 3.88Å; T167-W171 HydrophobicContact CG2-CZ3 4.5Å; T167-W171 PolarHBondContact O-N 2.91Å
168	Q	98.7	Very high	98.4	Very high	39 Å²	39	66.2 Å²	66.2	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-48.7	-55.4	173.8	173.9	170.8	11.8	0	0	111.9	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.84Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-Q168 PolarHBondContact O-NE2 3.46Å; A159-Q168 HydrophobicContact CB-CB 4.35Å; A159-Q168 VanDerWaalsContact CB-OE1 3.27Å; A164-Q168 PolarHBondContact O-N 3.01Å; Q168-K170 PolarHBondContact O-N 3.44Å; Q168-W171 PolarHBondContact O-N 3.06Å; Q168-W171 VanDerWaalsContact O-N 3.08Å; Q168-E172 VanDerWaalsContact CG-CD 3.49Å; Q168-E172 HydrophobicContact CG-CG 4.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.17Å; Q168-E172 PolarHBondContact NE2-OE1 3.22Å; Q168-E172 WeakPolarHBondContact O-CB 3.45Å; Q168-E172 WeakPolarHBondContact O-CG 3.33Å; Q168-E172 PolarHBondContact O-N 2.86Å
169	R	98.7	Very high	98.3	Very high	151 Å²	151	68.1 Å²	68.1	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-60.1	-32	-179.2	-67.9	169.6	-163.5	150.4	11.3	113.1	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.29Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 3.27Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.1Å; T167-R169 PolarHBondContact O-N 2.98Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 2.85Å; R169-A173 VanDerWaalsContact O-N 3.17Å
170	K	98.3	Very high	98.3	Very high	116 Å²	116	69.4 Å²	69.4	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-72.5	-42.7	176.2	-71.9	172.1	-178.5	180	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.86Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 3.38Å; Q168-K170 PolarHBondContact O-N 3.44Å; K170-A173 PolarHBondContact O-N 2.84Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.41Å; K170-A174 PolarHBondContact O-N 3Å
171	W	98.4	Very high	98.3	Very high	49 Å²	49	70.2 Å²	70.2	19%	0.186	34%	0.343	C	S	.	.	H	α-helix	trans	-71.4	-35.6	179.6	-72.8	-0.6	0	0	0	113	Y140 I148 W157 T167 Q168 A174 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.73Å; Y140-W171 HydrophobicContact CD2-CH2 3.73Å; Y140-W171 AromaticContact CE2-CH2 3.63Å; Y140-W171 HydrophobicContact CE2-CH2 3.63Å; Y140-W171 HydrophobicContact CE2-CZ2 4.26Å; I148-W171 HydrophobicContact CD1-CE3 3.9Å; I148-W171 HydrophobicContact CD1-CZ3 4.15Å; I148-W171 HydrophobicContact CG2-CE3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 3.95Å; I148-W171 HydrophobicContact CG2-CZ3 3.63Å; W157-W171 AromaticContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CE3 3.96Å; W157-W171 AromaticContact CE2-CE3 3.85Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.91Å; W157-W171 HydrophobicContact CE3-CZ3 3.91Å; W157-W171 AromaticContact CH2-CE3 3.5Å; W157-W171 HydrophobicContact CH2-CE3 3.5Å; W157-W171 VanDerWaalsContact CH2-CE3 3.5Å; W157-W171 AromaticContact CH2-CZ3 3.53Å; W157-W171 HydrophobicContact CH2-CZ3 3.53Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CE3 3.64Å; W157-W171 HydrophobicContact CZ2-CZ3 4.17Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; T167-W171 HydrophobicContact CG2-CD2 3.75Å; T167-W171 HydrophobicContact CG2-CE3 4.22Å; T167-W171 HydrophobicContact CG2-CG 4.2Å; T167-W171 HydrophobicContact CG2-CH2 4.34Å; T167-W171 HydrophobicContact CG2-CZ2 3.88Å; T167-W171 HydrophobicContact CG2-CZ3 4.5Å; T167-W171 PolarHBondContact O-N 2.91Å; Q168-W171 PolarHBondContact O-N 3.06Å; Q168-W171 VanDerWaalsContact O-N 3.08Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 3.35Å; W171-R175 WeakPolarHBondContact O-CA 3.24Å; W171-R175 PolarHBondContact O-N 2.98Å; W171-E176 HydrophobicContact CB-CB 4.03Å; W171-E176 HydrophobicContact CB-CG 3.8Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.19Å; W171-E176 HydrophobicContact CG-CG 3.76Å; W171-E176 PolarHBondContact O-N 2.94Å
172	E	98.6	Very high	98.3	Very high	94 Å²	94	70.9 Å²	70.9	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-46.9	170	-71.6	168.7	168.5	0	0	111.1	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.49Å; Q168-E172 HydrophobicContact CG-CG 4.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.17Å; Q168-E172 PolarHBondContact NE2-OE1 3.22Å; Q168-E172 WeakPolarHBondContact O-CB 3.45Å; Q168-E172 WeakPolarHBondContact O-CG 3.33Å; Q168-E172 PolarHBondContact O-N 2.86Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 3.4Å; E172-R175 PolarHBondContact O-N 2.84Å
173	A	98.4	Very high	98.3	Very high	87 Å²	87	67.9 Å²	67.9	72%	0.719	33%	0.333	S	S	*	.	H	α-helix	trans	-64.4	-32.8	176.7	0	0	0	0	0	113.3	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 2.85Å; R169-A173 VanDerWaalsContact O-N 3.17Å; K170-A173 PolarHBondContact O-N 2.84Å
174	A	98.1	Very high	98.3	Very high	50 Å²	50	67.7 Å²	67.7	41%	0.413	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.8	176.2	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.41Å; K170-A174 PolarHBondContact O-N 3Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 3.35Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 3.4Å; A174-E176 VanDerWaalsContact C-N 3.29Å; A174-E176 HydrophobicContact CB-CG 4.05Å; A174-E176 PolarHBondContact O-N 2.89Å
175	R	97.9	Very high	98.3	Very high	154 Å²	154	72 Å²	72	58%	0.581	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	36.9	-176.7	-62.6	171.3	166.3	-126.8	4.4	114.1	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.24Å; W171-R175 PolarHBondContact O-N 2.98Å; E172-R175 PolarHBondContact O-N 2.84Å; R175-A177 PolarHBondContact O-N 3.5Å; R175-A177 VanDerWaalsContact O-N 3.15Å; R175-E178 HydrophobicContact CB-CB 4.47Å; R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 IonicContact CZ-OE1 3.29Å; R175-E178 IonicContact NE-OE1 2.71Å; R175-E178 IonicContact NH1-OE1 3.66Å; R175-E178 PolarHBondContact NH1-OE1 3.14Å; R175-E178 IonicContact NH1-OE2 3.66Å; R175-E178 PolarHBondContact NH1-OE2 3.13Å; R175-E178 WeakPolarHBondContact O-CB 3.31Å; R175-E178 PolarHBondContact O-N 3.06Å
176	E	98.1	Very high	98.3	Very high	52 Å²	52	69.6 Å²	69.6	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-31.3	-177.2	-59.4	-71.9	-168	0	0	112.6	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.21Å; W171-E176 HydrophobicContact CB-CB 4.03Å; W171-E176 HydrophobicContact CB-CG 3.8Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.19Å; W171-E176 HydrophobicContact CG-CG 3.76Å; W171-E176 PolarHBondContact O-N 2.94Å; A174-E176 VanDerWaalsContact C-N 3.29Å; A174-E176 HydrophobicContact CB-CG 4.05Å; A174-E176 PolarHBondContact O-N 2.89Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.84Å; E176-Q179 WeakPolarHBondContact O-CB 3.27Å; E176-Q179 PolarHBondContact O-N 2.77Å; E176-Q179 VanDerWaalsContact O-N 3.13Å; E176-Q179 PolarHBondContact OE2-NE2 3.22Å; E176-W180 PolarHBondContact O-N 3.26Å
177	A	98.5	Very high	98.3	Very high	8 Å²	8	69.2 Å²	69.2	7%	0.066	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-32.7	175.1	0	0	0	0	0	112.9	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.87Å; W157-A177 HydrophobicContact CZ2-CB 4.15Å; R175-A177 PolarHBondContact O-N 3.5Å; R175-A177 VanDerWaalsContact O-N 3.15Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 3.32Å
178	E	98.1	Very high	98.3	Very high	110 Å²	110	68.4 Å²	68.4	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-67.2	-37.1	176.1	-62.9	178.6	-173.3	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CB 4.47Å; R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 IonicContact CZ-OE1 3.29Å; R175-E178 IonicContact NE-OE1 2.71Å; R175-E178 IonicContact NH1-OE1 3.66Å; R175-E178 PolarHBondContact NH1-OE1 3.14Å; R175-E178 IonicContact NH1-OE2 3.66Å; R175-E178 PolarHBondContact NH1-OE2 3.13Å; R175-E178 WeakPolarHBondContact O-CB 3.31Å; R175-E178 PolarHBondContact O-N 3.06Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 2.84Å; E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 2.8Å; E178-A182 VanDerWaalsContact O-N 3.13Å
179	Q	97.8	Very high	98.2	Very high	120 Å²	120	66.9 Å²	66.9	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-70.3	-46.1	176.2	-62.5	179.5	62.8	0	0	111.4	E176 A177 A182 Y183	E176-Q179 WeakPolarHBondContact O-CB 3.27Å; E176-Q179 PolarHBondContact O-N 2.77Å; E176-Q179 VanDerWaalsContact O-N 3.13Å; E176-Q179 PolarHBondContact OE2-NE2 3.22Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-A182 PolarHBondContact O-N 3.43Å; Q179-Y183 PolarHBondContact O-N 2.9Å
180	W	98.3	Very high	98.2	Very high	49 Å²	49	65.6 Å²	65.6	19%	0.186	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-44.3	176.6	-83	109.4	0	0	0	112.3	W121 Y123 E138 L150 E176 A182 Y183 L184	W121-W180 AromaticContact CH2-CH2 3.54Å; W121-W180 HydrophobicContact CH2-CH2 3.54Å; W121-W180 AromaticContact CH2-CZ2 3.68Å; W121-W180 HydrophobicContact CH2-CZ2 3.68Å; W121-W180 AromaticContact CZ2-CH2 3.34Å; W121-W180 HydrophobicContact CZ2-CH2 3.34Å; W121-W180 AromaticContact CZ2-CZ2 3.31Å; W121-W180 HydrophobicContact CZ2-CZ2 3.31Å; W121-W180 HydrophobicContact CZ2-CZ3 4.3Å; Y123-W180 HydrophobicContact CD2-CZ3 4.22Å; Y123-W180 HydrophobicContact CG-CH2 4.5Å; Y123-W180 HydrophobicContact CG-CZ3 4.29Å; E138-W180 HydrophobicContact CB-CD2 4.5Å; E138-W180 HydrophobicContact CG-CD2 3.69Å; E138-W180 HydrophobicContact CG-CE3 4Å; E138-W180 HydrophobicContact CG-CG 4.03Å; E138-W180 HydrophobicContact CG-CZ2 4.48Å; L150-W180 HydrophobicContact CD2-CB 3.96Å; E176-W180 PolarHBondContact O-N 3.26Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.19Å; W180-Y183 AromaticContact CE3-CD1 3.9Å; W180-Y183 HydrophobicContact CE3-CD1 3.9Å; W180-Y183 AromaticContact CZ3-CD1 3.58Å; W180-Y183 HydrophobicContact CZ3-CD1 3.58Å; W180-Y183 HydrophobicContact CZ3-CE1 4.02Å; W180-Y183 HydrophobicContact CZ3-CG 4.26Å; W180-Y183 PolarHBondContact O-N 2.84Å; W180-L184 WeakPolarHBondContact O-CB 3.46Å; W180-L184 WeakPolarHBondContact O-CG 3.4Å; W180-L184 PolarHBondContact O-N 3.02Å
181	R	98.4	Very high	98.2	Very high	77 Å²	77	62.3 Å²	62.3	29%	0.291	32%	0.32	S	S	.	.	H	α-helix	trans	-58.9	-42.5	174.7	-173	169.3	178	-113.9	-23.8	112.3	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.81Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-R181 WeakPolarHBondContact O-CD 3.36Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.27Å; R181-L184 PolarHBondContact O-N 2.82Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 2.72Å; R181-E185 IonicContact NE-OE1 3.8Å; R181-E185 PolarHBondContact NE-OE1 3Å; R181-E185 IonicContact NE-OE2 3.5Å; R181-E185 PolarHBondContact NE-OE2 2.92Å; R181-E185 VanDerWaalsContact NH2-CD 3.3Å; R181-E185 IonicContact NH2-OE1 2.73Å; R181-E185 PolarHBondContact NH2-OE1 2.8Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 PolarHBondContact NH2-OE2 2.95Å; R181-E185 VanDerWaalsContact O-CB 3.31Å; R181-E185 WeakPolarHBondContact O-CB 3.46Å; R181-E185 WeakPolarHBondContact O-CG 2.97Å; R181-E185 PolarHBondContact O-N 3.27Å
182	A	98.4	Very high	98.2	Very high	65 Å²	65	60 Å²	60	54%	0.537	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-38.3	176.4	0	0	0	0	0	113.1	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 2.8Å; E178-A182 VanDerWaalsContact O-N 3.13Å; Q179-A182 PolarHBondContact O-N 3.43Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.19Å; A182-G186 PolarHBondContact O-N 3.32Å
183	Y	98.3	Very high	98.1	Very high	49 Å²	49	61.3 Å²	61.3	19%	0.192	31%	0.312	C	S	.	.	I	π-helix	trans	-66.2	-46.5	172.7	170.8	-99.6	0	0	0	112	Y123 Q179 W180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CE2-CE1 4.13Å; Q179-Y183 PolarHBondContact O-N 2.9Å; W180-Y183 AromaticContact CE3-CD1 3.9Å; W180-Y183 HydrophobicContact CE3-CD1 3.9Å; W180-Y183 AromaticContact CZ3-CD1 3.58Å; W180-Y183 HydrophobicContact CZ3-CD1 3.58Å; W180-Y183 HydrophobicContact CZ3-CE1 4.02Å; W180-Y183 HydrophobicContact CZ3-CG 4.26Å; W180-Y183 PolarHBondContact O-N 2.84Å; R181-Y183 PolarHBondContact O-N 3.27Å; Y183-G186 CarbonylContact O-C 3.39Å; Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.85Å; Y183-T187 PolarHBondContact O-N 2.87Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.43Å; Y183-C188 PolarHBondContact O-N 2.96Å
184	L	98.6	Very high	98	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-71.2	-41.3	-174.9	-69.2	170.9	0	0	0	112.9	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.35Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; W180-L184 WeakPolarHBondContact O-CB 3.46Å; W180-L184 WeakPolarHBondContact O-CG 3.4Å; W180-L184 PolarHBondContact O-N 3.02Å; R181-L184 PolarHBondContact O-N 2.82Å; L184-V189 WeakPolarHBondContact O-CG2 3.35Å
185	E	98	Very high	98	Very high	90 Å²	90	60.5 Å²	60.5	42%	0.421	28%	0.28	S	S	.	.	I	π-helix	trans	-77	-24.4	177.2	-67.8	-178.5	166.7	0	0	113.3	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.45Å; L133-E185 HydrophobicContact CD2-CG 3.74Å; L154-E185 HydrophobicContact CD1-CG 4.31Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 2.72Å; R181-E185 IonicContact NE-OE1 3.8Å; R181-E185 PolarHBondContact NE-OE1 3Å; R181-E185 IonicContact NE-OE2 3.5Å; R181-E185 PolarHBondContact NE-OE2 2.92Å; R181-E185 VanDerWaalsContact NH2-CD 3.3Å; R181-E185 IonicContact NH2-OE1 2.73Å; R181-E185 PolarHBondContact NH2-OE1 2.8Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 PolarHBondContact NH2-OE2 2.95Å; R181-E185 VanDerWaalsContact O-CB 3.31Å; R181-E185 WeakPolarHBondContact O-CB 3.46Å; R181-E185 WeakPolarHBondContact O-CG 2.97Å; R181-E185 PolarHBondContact O-N 3.27Å
186	G	97.9	Very high	97.9	Very high	24 Å²	24	53.8 Å²	53.8	25%	0.247	26%	0.255	C	S	.	.	I	π-helix	trans	-110.2	-92.1	-178.1	0	0	0	0	0	113	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.32Å; Y183-G186 CarbonylContact O-C 3.39Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.18Å; G186-V189 WeakPolarHBondContact O-CB 3.39Å; G186-V189 PolarHBondContact O-N 3.33Å; G186-V189 VanDerWaalsContact O-N 3.08Å; G186-E190 WeakPolarHBondContact O-CG 3.41Å; G186-E190 PolarHBondContact O-N 2.87Å
187	T	97.8	Very high	97.8	Very high	53 Å²	53	57 Å²	57	33%	0.325	27%	0.271	S	S	.	.	I	π-helix	trans	-54.3	-39.6	-169.3	-58.5	0	0	0	0	113.8	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.85Å; Y183-T187 PolarHBondContact O-N 2.87Å; Y183-T187 VanDerWaalsContact O-N 3.12Å; T187-E190 PolarHBondContact O-N 3.05Å; T187-W191 PolarHBondContact O-N 3.13Å
188	C	98.4	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	I	π-helix	trans	-62.5	-48.7	178.4	-169.4	0	0	0	0	111.5	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.4Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; C125-C188 HydrophobicContact CB-CB 3.89Å; C125-C188 WeakPolarHBondContact CB-SG 2.92Å; C125-C188 PolarHBondContact N-SG 3.29Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.19Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.93Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.43Å; Y183-C188 PolarHBondContact O-N 2.96Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.18Å; C188-E190 PolarHBondContact O-N 2.83Å; C188-W191 PolarHBondContact O-N 2.74Å; C188-L192 WeakPolarHBondContact O-CB 3.49Å; C188-L192 PolarHBondContact O-N 2.85Å
189	V	98.3	Very high	97.6	Very high	7 Å²	7	54 Å²	54	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-43.4	176.6	176	0	0	0	0	111.4	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD2-CB 4.17Å; L127-V189 HydrophobicContact CD2-CG1 3.8Å; L127-V189 HydrophobicContact CD2-CG2 3.82Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 4.14Å; L184-V189 WeakPolarHBondContact O-CG2 3.35Å; G186-V189 WeakPolarHBondContact O-CB 3.39Å; G186-V189 PolarHBondContact O-N 3.33Å; G186-V189 VanDerWaalsContact O-N 3.08Å; V189-R193 WeakPolarHBondContact O-CB 3.3Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 2.76Å
190	E	97.9	Very high	97.3	Very high	123 Å²	123	52.9 Å²	52.9	58%	0.575	25%	0.251	S	S	*	.	H	α-helix	trans	-62.3	-46.9	179.3	-70.6	174.3	164	0	0	112.5	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.41Å; G186-E190 PolarHBondContact O-N 2.87Å; T187-E190 PolarHBondContact O-N 3.05Å; C188-E190 PolarHBondContact O-N 2.83Å; E190-R194 PolarHBondContact O-N 3.14Å; E190-R194 VanDerWaalsContact O-N 3.11Å
191	W	98	Very high	97	Very high	47 Å²	47	59.1 Å²	59.1	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-69.4	-41.5	178.7	-80.3	101.5	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.37Å; Y83-W191 AromaticContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CH2 3.62Å; Y83-W191 HydrophobicContact CD2-CZ2 4.38Å; Y83-W191 AromaticContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CE3 4.13Å; Y83-W191 AromaticContact CE2-CH2 3.98Å; Y83-W191 HydrophobicContact CE2-CH2 3.98Å; Y83-W191 AromaticContact CE2-CZ3 3.67Å; Y83-W191 HydrophobicContact CE2-CZ3 3.67Å; T187-W191 PolarHBondContact O-N 3.13Å; C188-W191 PolarHBondContact O-N 2.74Å; W191-R193 PolarHBondContact O-N 2.71Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CE3-CD1 4.49Å; W191-Y195 AromaticContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.51Å; W191-Y195 VanDerWaalsContact CE3-OH 3.31Å; W191-Y195 HydrophobicContact CZ3-CE1 4.06Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.41Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 2.8Å
192	L	98.1	Very high	96.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-45.9	176.4	174.4	50.1	0	0	0	111.4	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.42Å; M29-L192 HydrophobicContact CB-CB 4.01Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.93Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.32Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CD1-CB 4.37Å; L127-L192 HydrophobicContact CD1-CD2 3.78Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CD2-CD2 4.44Å; L127-L192 HydrophobicContact CG-CD2 3.61Å; L127-L192 HydrophobicContact CG-CG 4.19Å; C188-L192 WeakPolarHBondContact O-CB 3.49Å; C188-L192 PolarHBondContact O-N 2.85Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.29Å; L192-Y195 PolarHBondContact O-N 3.15Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 3.06Å
193	R	96.8	Very high	96.3	Very high	123 Å²	123	54.9 Å²	54.9	46%	0.464	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-41.8	173.8	-72.5	173.9	-178.5	170.1	0.3	112.7	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.91Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 3.02Å; G131-R193 PolarHBondContact O-NH2 2.92Å; V189-R193 WeakPolarHBondContact O-CB 3.3Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 2.76Å; W191-R193 PolarHBondContact O-N 2.71Å; R193-L196 PolarHBondContact O-N 3.28Å; R193-E197 PolarHBondContact O-N 3.39Å; R193-E197 VanDerWaalsContact O-N 3.12Å
194	R	97	Very high	95.8	Very high	119 Å²	119	56.8 Å²	56.8	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-44	176	178.6	179.3	173.4	107.1	-7.8	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.32Å; E79-R194 IonicContact OE1-CZ 3.85Å; E79-R194 IonicContact OE1-NE 3.28Å; E79-R194 PolarHBondContact OE1-NE 3.05Å; E79-R194 IonicContact OE1-NH2 3.54Å; E79-R194 PolarHBondContact OE1-NH2 2.94Å; E79-R194 VanDerWaalsContact OE1-NH2 3.14Å; E79-R194 IonicContact OE2-CZ 2.72Å; E79-R194 IonicContact OE2-NE 2.71Å; E79-R194 IonicContact OE2-NH2 3.42Å; E79-R194 PolarHBondContact OE2-NH2 3.41Å; E190-R194 PolarHBondContact O-N 3.14Å; E190-R194 VanDerWaalsContact O-N 3.11Å; W191-R194 WeakPolarHBondContact O-CB 3.45Å; W191-R194 PolarHBondContact O-N 3Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.29Å; R194-E197 PolarHBondContact O-N 3.22Å; R194-N198 VanDerWaalsContact O-CB 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 2.89Å; R194-N198 PolarHBondContact O-OD1 2.85Å
195	Y	97.4	Very high	95.4	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-67.8	-38.6	177.9	-61.5	-31.8	0	0	0	112.7	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.8Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.87Å; V52-Y195 HydrophobicContact CG2-CG 4.4Å; F57-Y195 HydrophobicContact CD2-CE2 4.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.19Å; F57-Y195 HydrophobicContact CE2-CE1 4.5Å; F57-Y195 AromaticContact CE2-CE2 3.54Å; F57-Y195 HydrophobicContact CE2-CE2 3.54Å; F57-Y195 AromaticContact CE2-CZ 3.72Å; F57-Y195 HydrophobicContact CZ-CD2 4.21Å; F57-Y195 AromaticContact CZ-CE2 3.65Å; F57-Y195 HydrophobicContact CZ-CE2 3.65Å; W75-Y195 HydrophobicContact CE3-CD1 4.26Å; W75-Y195 HydrophobicContact CE3-CG 4.46Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD1 3.61Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 HydrophobicContact CZ3-CE1 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.56Å; W75-Y195 HydrophobicContact CZ3-CG 3.56Å; V76-Y195 HydrophobicContact CG2-CE1 4.31Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CE3-CD1 4.49Å; W191-Y195 AromaticContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE1 3.6Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.51Å; W191-Y195 VanDerWaalsContact CE3-OH 3.31Å; W191-Y195 HydrophobicContact CZ3-CE1 4.06Å; W191-Y195 VanDerWaalsContact O-CD2 3.25Å; W191-Y195 WeakPolarHBondContact O-CD2 3.41Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 2.8Å; L192-Y195 PolarHBondContact O-N 3.15Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 2.81Å; Y195-N198 PolarHBondContact O-N 2.9Å; Y195-G199 WeakPolarHBondContact O-CA 3.31Å; Y195-G199 PolarHBondContact O-N 3.26Å; Y195-L203 WeakPolarHBondContact O-CD1 3.29Å
196	L	95.9	Very high	95.1	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-35.3	175.1	-71.5	168.1	0	0	0	112.9	H27 V52 L127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.62Å; H27-L196 HydrophobicContact CB-CD2 3.92Å; H27-L196 HydrophobicContact CB-CG 4.36Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.34Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L127-L196 HydrophobicContact CD1-CD1 4.42Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 3.06Å; R193-L196 PolarHBondContact O-N 3.28Å; L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 WeakPolarHBondContact O-CB 3.5Å; L196-K200 PolarHBondContact O-N 3.24Å; L196-K200 VanDerWaalsContact O-N 3.17Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 3.02Å
197	E	95.7	Very high	94.9	Very high	120 Å²	120	60 Å²	60	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-76	-45.5	173.8	-170.4	61.8	-161.4	0	0	111.4	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.39Å; R193-E197 VanDerWaalsContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 3.22Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 2.81Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 3.48Å; E197-K200 IonicContact OE2-NZ 3.57Å
198	N	96.4	Very high	94.8	Very high	50 Å²	50	62.4 Å²	62.4	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-58.2	-41.8	176.7	-73.7	1.6	0	0	0	112.8	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.41Å; W75-N198 WeakPolarHBondContact CB-O 3.45Å; Q78-N198 VanDerWaalsContact NE2-CB 3.35Å; Q78-N198 PolarHBondContact NE2-ND2 3.32Å; Q78-N198 PolarHBondContact NE2-OD1 2.97Å; E79-N198 PolarHBondContact OE1-ND2 2.82Å; R194-N198 VanDerWaalsContact O-CB 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 2.89Å; R194-N198 PolarHBondContact O-OD1 2.85Å; Y195-N198 PolarHBondContact O-N 2.9Å
199	G	95.4	Very high	94.7	Very high	3 Å²	3	62.8 Å²	62.8	3%	0.031	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	17.7	-174.8	0	0	0	0	0	114	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.47Å; W75-G199 VanDerWaalsContact CG-CA 3.45Å; Y195-G199 WeakPolarHBondContact O-CA 3.31Å; Y195-G199 PolarHBondContact O-N 3.26Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.13Å; G199-T202 CarbonylContact O-C 3.5Å; G199-T202 WeakPolarHBondContact O-CA 3.47Å; G199-T202 PolarHBondContact O-N 2.82Å; G199-T202 PolarHBondContact O-OG1 2.88Å; G199-L203 WeakPolarHBondContact O-CB 3.49Å; G199-L203 PolarHBondContact O-N 3.19Å
200	K	93.3	Very high	94.7	Very high	98 Å²	98	69.4 Å²	69.4	43%	0.426	32%	0.318	S	S	.	.	H	α-helix	trans	-48	-46.7	-171	-175.9	167.4	-166.3	163.1	0	114.5	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 WeakPolarHBondContact O-CB 3.5Å; L196-K200 PolarHBondContact O-N 3.24Å; L196-K200 VanDerWaalsContact O-N 3.17Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 3.48Å; E197-K200 IonicContact OE2-NZ 3.57Å; K200-T202 PolarHBondContact O-N 3.05Å; K200-Q204 HydrophobicContact CG-CB 4.44Å; K200-Q204 HydrophobicContact CG-CG 4.45Å; K200-Q204 WeakPolarHBondContact O-CB 3.24Å; K200-Q204 PolarHBondContact O-N 2.94Å
201	E	90.8	Very high	94.7	Very high	180 Å²	180	65.2 Å²	65.2	84%	0.841	30%	0.3	S	S	*	.	H	α-helix	trans	-62.3	-23.5	179	-61	-174.1	162.7	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.13Å; E201-R205 WeakPolarHBondContact O-CD 3.24Å
202	T	90.1	Very high	94.7	Very high	49 Å²	49	66.8 Å²	66.8	30%	0.301	31%	0.31	S	S	.	.	H	α-helix	trans	-108.4	-27.3	-176.6	52.5	0	0	0	0	114.9	W75 G199 K200 R205	W75-T202 PolarHBondContact NE1-OG1 3.42Å; G199-T202 CarbonylContact O-C 3.5Å; G199-T202 WeakPolarHBondContact O-CA 3.47Å; G199-T202 PolarHBondContact O-N 2.82Å; G199-T202 PolarHBondContact O-OG1 2.88Å; K200-T202 PolarHBondContact O-N 3.05Å; T202-R205 WeakPolarHBondContact O-CG 3.43Å; T202-R205 PolarHBondContact O-NE 3.05Å
203	L	91.3	Very high	94.7	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-101.5	-32.5	-174.5	-63.2	173.2	0	0	0	112.7	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.33Å; V52-L203 HydrophobicContact CB-CD2 4.25Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.33Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.05Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å; Y195-L203 WeakPolarHBondContact O-CD1 3.29Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 WeakPolarHBondContact O-CB 3.49Å; G199-L203 PolarHBondContact O-N 3.19Å; L203-R205 VanDerWaalsContact C-N 3.32Å
204	Q	89	Confident	94.7	Very high	89 Å²	89	63.5 Å²	63.5	42%	0.416	30%	0.303	S	S	.	.	S	Bend	trans	-99.8	28.3	177.5	-57.3	176.7	31.7	0	0	111.3	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.02Å; K200-Q204 HydrophobicContact CG-CB 4.44Å; K200-Q204 HydrophobicContact CG-CG 4.45Å; K200-Q204 WeakPolarHBondContact O-CB 3.24Å; K200-Q204 PolarHBondContact O-N 2.94Å
205	R	89.1	Confident	94.6	Very high	82 Å²	82	60.3 Å²	60.3	31%	0.309	29%	0.294	S	S	.	.			trans	-106.3	144.6	172	70.7	-177.1	174.3	145.4	17.7	108.9	E201 T202 L203 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.24Å; T202-R205 WeakPolarHBondContact O-CG 3.43Å; T202-R205 PolarHBondContact O-NE 3.05Å; L203-R205 VanDerWaalsContact C-N 3.32Å; R205-E207 IonicContact CZ-OE1 3.35Å; R205-E207 IonicContact NE-OE1 3.56Å; R205-E207 IonicContact NH1-OE1 3.09Å; R205-E207 PolarHBondContact NH1-OE1 2.75Å; R205-E207 IonicContact NH2-OE1 2.76Å; R205-E207 PolarHBondContact NH2-OE1 3.39Å; R205-Y233 HydrophobicContact CG-CD1 4.38Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å
206	A	92	Very high	94.5	Very high	37 Å²	37	64.2 Å²	64.2	31%	0.306	31%	0.311	S	S	.	.			trans	-114.5	123.3	163.9	0	0	0	0	0	108.9	Y233 E288 G289	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.3Å; A206-E288 HydrophobicContact CB-CG 4.25Å; A206-G289 VanDerWaalsContact CB-CA 3.49Å
207	E	94	Very high	94.4	Very high	62 Å²	62	68.3 Å²	68.3	29%	0.29	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-95.6	119	171.9	-69.6	-166.3	-146.2	0	0	109	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.35Å; R205-E207 IonicContact NE-OE1 3.56Å; R205-E207 IonicContact NH1-OE1 3.09Å; R205-E207 PolarHBondContact NH1-OE1 2.75Å; R205-E207 IonicContact NH2-OE1 2.76Å; R205-E207 PolarHBondContact NH2-OE1 3.39Å; E207-F232 WeakPolarHBondContact O-CA 3.15Å; E207-F232 VanDerWaalsContact O-CB 3.3Å; E207-F232 WeakPolarHBondContact O-CB 3.01Å; E207-Y233 PolarHBondContact N-O 3.18Å; E207-Y233 PolarHBondContact O-N 3.44Å; E207-Y233 VanDerWaalsContact O-N 3.14Å; E207-H287 PolarHBondContact O-CE1 2.87Å
208	H	95.3	Very high	94.2	Very high	103 Å²	103	67.1 Å²	67.1	48%	0.477	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-67.5	142.3	-178.7	-48.6	-98.4	0	0	0	111.9	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.74Å; H208-G289 PolarHBondContact CE1-O 3.44Å; H208-G289 PolarHBondContact ND1-O 3.14Å; H208-L290 HydrophobicContact CB-CD2 4.13Å
209	P	97.6	Very high	94	Very high	8 Å²	8	67.2 Å²	67.2	5%	0.052	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-65.5	129.2	175.9	27.5	-35.2	0	0	0	112	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.21Å; P209-A229 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CB 3.93Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.2Å; P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.17Å; P209-V285 HydrophobicContact CG-CG1 3.98Å; P209-H287 HydrophobicContact CG-CB 4.03Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.34Å; P209-L290 HydrophobicContact CG-CG 4.17Å
210	K	97.9	Very high	93.8	Very high	147 Å²	147	74.3 Å²	74.3	64%	0.639	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	105.2	165.4	-64.3	165.3	-170.9	156.7	0	107.6	H208 L230	H208-K210 PolarHBondContact O-N 2.74Å; K210-L230 WeakPolarHBondContact CB-O 3.44Å; K210-L230 PolarHBondContact N-O 2.92Å; K210-L230 PolarHBondContact O-N 3.39Å; K210-L230 VanDerWaalsContact O-N 3.09Å
211	T	97.9	Very high	93.7	Very high	34 Å²	34	76.5 Å²	76.5	21%	0.209	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145	-171.4	58.3	0	0	0	0	113.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.21Å; T211-W228 WeakPolarHBondContact CA-O 3.5Å; T211-A229 HydrophobicContact CG2-CB 4.29Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.12Å; T211-L294 HydrophobicContact CG2-CD1 4.31Å; T211-L296 VanDerWaalsContact CB-CD1 3.47Å; T211-L296 HydrophobicContact CG2-CD1 4.16Å
212	H	97.3	Very high	94	Very high	80 Å²	80	72.4 Å²	72.4	37%	0.37	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	159.7	171.8	63	-72.6	0	0	0	111.1	W228	H212-W228 VanDerWaalsContact CE1-CB 3.47Å; H212-W228 WeakPolarHBondContact CE1-CB 3.28Å; H212-W228 AromaticContact CE1-CD1 3.91Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.78Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.83Å; H212-W228 PolarHBondContact O-N 3.2Å
213	V	98.2	Very high	94.2	Very high	23 Å²	23	70.1 Å²	70.1	14%	0.139	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.2	175.1	-179.6	0	0	0	0	109.8	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-C227 HydrophobicContact CG2-CB 4.36Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.21Å; V213-L296 HydrophobicContact CG2-CB 3.98Å; V213-W298 HydrophobicContact CB-CB 4.44Å; V213-W298 HydrophobicContact CG1-CB 3.8Å
214	T	96.9	Very high	94.5	Very high	32 Å²	32	71 Å²	71	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	146.3	173.2	48.3	0	0	0	0	110.4	L225 R226 W228	T214-L225 CarbonylContact O-C 3.57Å; T214-L225 WeakPolarHBondContact O-CA 3.39Å; T214-R226 PolarHBondContact N-O 2.92Å; T214-R226 PolarHBondContact O-N 2.84Å; T214-R226 WeakPolarHBondContact OG1-CB 3.35Å; T214-R226 PolarHBondContact OG1-O 2.69Å; T214-W228 PolarHBondContact OG1-NE1 3.38Å
215	H	96.1	Very high	95	Very high	52 Å²	52	66.8 Å²	66.8	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.2	-179.9	166.7	-88.5	0	0	0	109.6	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.27Å; H215-A223 WeakPolarHBondContact NE2-CB 3.4Å; H215-L225 HydrophobicContact CB-CD2 3.94Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 HydrophobicContact CB-CG 4.1Å; H215-W298 HydrophobicContact CB-CZ2 4.06Å; H215-W298 VanDerWaalsContact CB-NE1 3.32Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.96Å
216	H	95.1	Very high	95.4	Very high	82 Å²	82	65.1 Å²	65.1	38%	0.38	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	106.6	-178.3	-56.7	-70.9	0	0	0	109.6	V218 A223 T224 R226	H216-V218 PolarHBondContact O-N 3.17Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.17Å; H216-T224 PolarHBondContact N-O 3.06Å; H216-T224 PolarHBondContact O-N 3.03Å; H216-R226 PolarHBondContact CD2-NH1 3.19Å; H216-R226 VanDerWaalsContact CD2-NH1 3.33Å; H216-R226 PolarHBondContact NE2-NH1 3.43Å
217	P	94	Very high	95.7	Very high	100 Å²	100	63.4 Å²	63.4	65%	0.649	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.2	172.7	-21.2	31.6	0	0	0	110.9
218	V	91.5	Very high	95.9	Very high	94 Å²	94	62.9 Å²	62.9	57%	0.57	32%	0.32	S	S	*	.			trans	-107.6	-39.4	175.9	-178.1	0	0	0	0	110.1	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.17Å; V218-E222 PolarHBondContact N-O 2.99Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.41Å
219	S	92.2	Very high	96.1	Very high	52 Å²	52	58 Å²	58	36%	0.364	30%	0.298	S	S	.	.	S	Bend	trans	-148.7	-178.6	174.5	71.4	0	0	0	0	110.7	H221 E222	S219-H221 PolarHBondContact O-N 2.9Å; S219-H221 VanDerWaalsContact O-N 3.14Å; S219-H221 PolarHBondContact OG-N 3.36Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 2.73Å; S219-E222 PolarHBondContact OG-N 3.45Å; S219-E222 VanDerWaalsContact OG-N 3.14Å
220	D	89.4	Confident	96.1	Very high	153 Å²	153	60.2 Å²	60.2	82%	0.818	31%	0.309	S	S	*	.	S	Bend	trans	-67.6	-2.6	171.2	-63.5	-27.8	0	0	0	113.5
221	H	93.1	Very high	96.1	Very high	144 Å²	144	53.9 Å²	53.9	67%	0.667	29%	0.285	S	S	*	.	S	Bend	trans	-124.6	-16.4	-175.5	-55.8	-29.4	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.9Å; S219-H221 VanDerWaalsContact O-N 3.14Å; S219-H221 PolarHBondContact OG-N 3.36Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 WeakPolarHBondContact O-CA 3.36Å; H221-S275 PolarHBondContact O-N 3.46Å; H221-S275 PolarHBondContact O-OG 2.98Å
222	E	95.4	Very high	96.1	Very high	94 Å²	94	52.2 Å²	52.2	44%	0.439	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.5	-171.3	-66.4	179.2	165.7	0	0	112.1	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.99Å; S219-E222 PolarHBondContact N-O 2.73Å; S219-E222 PolarHBondContact OG-N 3.45Å; S219-E222 VanDerWaalsContact OG-N 3.14Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.03Å; E222-S275 PolarHBondContact N-OG 2.52Å
223	A	96.1	Very high	96	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.2	170.6	0	0	0	0	0	110.7	H215 H216 V273	H215-A223 VanDerWaalsContact NE2-CB 3.27Å; H215-A223 WeakPolarHBondContact NE2-CB 3.4Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.17Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 2.77Å; A223-V273 PolarHBondContact O-N 3.28Å
224	T	97.6	Very high	95.8	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.135	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.6	168.3	-52.8	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.06Å; H216-T224 PolarHBondContact O-N 3.03Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.41Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.13Å
225	L	98.1	Very high	95.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.6	162.5	-63.2	-175.5	0	0	0	108.7	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.36Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 CarbonylContact O-C 3.57Å; T214-L225 WeakPolarHBondContact O-CA 3.39Å; H215-L225 HydrophobicContact CB-CD2 3.94Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.76Å; L225-W241 HydrophobicContact CD1-CH2 3.97Å; L225-W241 HydrophobicContact CD1-CZ3 4.16Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.39Å; L225-V271 HydrophobicContact CB-CG1 4.17Å; L225-V271 PolarHBondContact N-O 3.02Å; L225-V271 PolarHBondContact O-N 2.89Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.14Å; L225-V273 HydrophobicContact CG-CG1 4.1Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.14Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.4Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	98.4	Very high	95.8	Very high	48 Å²	48	51.9 Å²	51.9	18%	0.181	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.5	174.9	178.2	-178.1	-65.8	108.1	1.2	110.3	T214 H216 W228 W268 A269 A270	T214-R226 PolarHBondContact N-O 2.92Å; T214-R226 PolarHBondContact O-N 2.84Å; T214-R226 WeakPolarHBondContact OG1-CB 3.35Å; T214-R226 PolarHBondContact OG1-O 2.69Å; H216-R226 PolarHBondContact CD2-NH1 3.19Å; H216-R226 VanDerWaalsContact CD2-NH1 3.33Å; H216-R226 PolarHBondContact NE2-NH1 3.43Å; R226-W228 VanDerWaalsContact CD-CE2 3.47Å; R226-W228 VanDerWaalsContact CD-CZ2 3.46Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; R226-W268 HydrophobicContact CG-CB 3.97Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.78Å; R226-W268 HydrophobicContact CG-CG 4.16Å; R226-A269 WeakPolarHBondContact CA-O 3.44Å; R226-A270 HydrophobicContact CB-CB 3.91Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227	C	98.4	Very high	95.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125	174.5	-174.4	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.36Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.15Å; C227-W268 WeakPolarHBondContact O-CB 3.46Å; C227-A269 PolarHBondContact N-O 3.17Å; C227-A269 PolarHBondContact O-N 2.9Å; C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.29Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.11Å
228	W	98.5	Very high	96	Very high	51 Å²	51	46.4 Å²	46.4	19%	0.193	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143	179.6	-69.1	89.5	0	0	0	110.9	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.5Å; H212-W228 VanDerWaalsContact CE1-CB 3.47Å; H212-W228 WeakPolarHBondContact CE1-CB 3.28Å; H212-W228 AromaticContact CE1-CD1 3.91Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.78Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.83Å; H212-W228 PolarHBondContact O-N 3.2Å; T214-W228 PolarHBondContact OG1-NE1 3.38Å; R226-W228 VanDerWaalsContact CD-CE2 3.47Å; R226-W228 VanDerWaalsContact CD-CZ2 3.46Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.78Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.32Å; W228-W268 HydrophobicContact CZ3-CB 4.35Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å
229	A	98.5	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.7	160.8	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.84Å; T211-A229 HydrophobicContact CG2-CB 4.29Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.78Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; A229-L239 HydrophobicContact CB-CD1 4Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; A229-Q266 WeakPolarHBondContact O-CA 3.35Å; A229-K267 PolarHBondContact N-O 2.04Å; A229-K267 PolarHBondContact O-N 2.96Å; A229-K267 VanDerWaalsContact O-O 3.05Å
230	L	98.3	Very high	96.6	Very high	56 Å²	56	41.5 Å²	41.5	29%	0.293	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.3	-174.8	-59.8	176.7	0	0	0	111	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.44Å; K210-L230 PolarHBondContact N-O 2.92Å; K210-L230 PolarHBondContact O-N 3.39Å; K210-L230 VanDerWaalsContact O-N 3.09Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å
231	G	97.3	Very high	97	Very high	13 Å²	13	34.3 Å²	34.3	13%	0.134	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.8	40.2	169.3	0	0	0	0	0	113.5	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; G231-F265 PolarHBondContact N-O 2.81Å
232	F	97.1	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	156.7	178.2	59.2	-90.6	0	0	0	112.8	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.15Å; E207-F232 VanDerWaalsContact O-CB 3.3Å; E207-F232 WeakPolarHBondContact O-CB 3.01Å; P209-F232 HydrophobicContact CB-CB 3.93Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.2Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.78Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; F232-P234 WeakPolarHBondContact CD2-O 3.26Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.79Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.35Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.33Å; F232-F265 WeakPolarHBondContact CE1-O 3.45Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 2.84Å; F232-F265 PolarHBondContact O-N 3.06Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.72Å
233	Y	95.6	Very high	97.3	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.016	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-153.4	136.9	174.2	178.5	-82.6	0	0	0	108.3	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.98Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.34Å; T55-Y233 PolarHBondContact OG1-OH 2.89Å; R205-Y233 HydrophobicContact CG-CD1 4.38Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.3Å; E207-Y233 PolarHBondContact N-O 3.18Å; E207-Y233 PolarHBondContact O-N 3.44Å; E207-Y233 VanDerWaalsContact O-N 3.14Å; Y233-G263 WeakPolarHBondContact CD2-O 3.37Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; Y233-H287 PolarHBondContact O-CE1 3.14Å
234	P	95.1	Very high	97.3	Very high	18 Å²	18	33 Å²	33	12%	0.117	17%	0.167	C	C	.	.	S	Bend	cis	-67.8	178	-0.3	29.1	-36.8	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.49Å; F232-P234 WeakPolarHBondContact CD2-O 3.26Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 3.17Å; P234-E288 HydrophobicContact CG-CB 4.2Å
235	A	96.3	Very high	97	Very high	14 Å²	14	34.1 Å²	34.1	12%	0.116	18%	0.184	C	C	.	.	S	Bend	trans	-73	-22.4	-176.2	0	0	0	0	0	114	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.33Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.4Å; D54-A235 WeakPolarHBondContact OD2-CB 3.42Å; D54-A235 PolarHBondContact OD2-N 3.46Å; A235-I237 PolarHBondContact O-N 3.43Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.31Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.79Å; A235-F265 HydrophobicContact CB-CE2 3.73Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.79Å
236	E	95.6	Very high	96.9	Very high	143 Å²	143	41.1 Å²	41.1	67%	0.668	22%	0.216	S	C	*	.			trans	-66.1	117.1	179.6	-173.2	52	-134.2	0	0	110.5	P234 H287	P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 2.95Å; E236-H287 VanDerWaalsContact O-CD2 3.25Å
237	I	96.4	Very high	96.8	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.046	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	135.6	-175.6	-165.4	168.8	0	0	0	110.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.17Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.79Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 3.43Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.26Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; I237-H287 HydrophobicContact CD1-CB 4.11Å; I237-H287 HydrophobicContact CG1-CB 3.97Å
238	T	97.3	Very high	96.7	Very high	58 Å²	58	44.5 Å²	44.5	36%	0.356	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.8	173.7	-67.2	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.07Å; T238-Q286 PolarHBondContact N-O 3.16Å; T238-Q286 PolarHBondContact O-N 3.38Å
239	L	97.9	Very high	96.3	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.2	171	-89.5	62.2	0	0	0	108.1	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; I237-L239 HydrophobicContact CD1-CD1 3.7Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.26Å; L239-L254 HydrophobicContact CB-CD1 4.12Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4Å; L239-V285 HydrophobicContact CD1-CG2 4.41Å; L239-V285 HydrophobicContact CG-CG2 4.26Å
240	T	97.7	Very high	95.9	Very high	38 Å²	38	56 Å²	56	23%	0.233	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.8	174.1	59.5	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.25Å; T240-H284 PolarHBondContact N-O 3.06Å; T240-H284 PolarHBondContact O-N 3.12Å
241	W	98.3	Very high	95.5	Very high	1 Å²	1	59 Å²	59	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.1	168.3	-83	105.7	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.21Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.76Å; L225-W241 HydrophobicContact CD1-CH2 3.97Å; L225-W241 HydrophobicContact CD1-CZ3 4.16Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.98Å; W241-A269 PolarHBondContact NE1-O 2.85Å; W241-V271 HydrophobicContact CB-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.54Å; W241-V271 HydrophobicContact CE3-CG1 3.98Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.71Å; W241-V271 HydrophobicContact CZ2-CG1 4.19Å; W241-V271 HydrophobicContact CZ3-CG1 4.49Å; W241-T282 WeakPolarHBondContact CA-O 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.1Å; W241-C283 HydrophobicContact CE3-CB 4.04Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.9	Very high	95.4	Very high	38 Å²	38	59.4 Å²	59.4	18%	0.178	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145	171.2	-72.7	-176	-7.9	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.45Å; Q242-D247 PolarHBondContact NE2-OD1 3.19Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.46Å; Q242-T282 PolarHBondContact N-O 2.97Å; Q242-T282 PolarHBondContact O-N 3.21Å; Q242-T282 PolarHBondContact O-OG1 3.49Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.5Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.45Å; Q242-H284 PolarHBondContact OE1-NE2 3.49Å
243	R	97.5	Very high	95.4	Very high	72 Å²	72	64.9 Å²	64.9	27%	0.272	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.7	169.1	-175.2	-171.1	-173.2	-179.4	2.1	108.4	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.93Å; R243-E246 PolarHBondContact N-O 3.13Å; R243-E246 PolarHBondContact O-N 3.14Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; R243-E277 IonicContact CZ-OE2 2.79Å; R243-E277 IonicContact NE-OE2 3.5Å; R243-E277 IonicContact NH2-OE1 3.22Å; R243-E277 IonicContact NH2-OE2 3.99Å; R243-E277 PolarHBondContact NH2-OE2 3.02Å; R243-R280 WeakPolarHBondContact CA-O 2.98Å; R243-R280 HydrophobicContact CG-CB 4.35Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 WeakPolarHBondContact CD-OH 3.46Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CD2 4.42Å; R243-Y281 HydrophobicContact CG-CE1 4.04Å; R243-Y281 HydrophobicContact CG-CE2 4.02Å
244	D	95.6	Very high	95.5	Very high	101 Å²	101	69 Å²	69	54%	0.54	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	22.3	-175	-52.4	-56	0	0	0	115.1	R280	D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 WeakPolarHBondContact OD1-CB 3.47Å; D244-R280 IonicContact OD1-NE 2.69Å; D244-R280 PolarHBondContact OD1-NE 2.7Å; D244-R280 IonicContact OD2-CZ 3.37Å; D244-R280 IonicContact OD2-NE 3.54Å; D244-R280 PolarHBondContact OD2-NE 2.8Å; D244-R280 IonicContact OD2-NH2 3.6Å; D244-R280 PolarHBondContact OD2-NH2 3.47Å
245	G	92	Very high	95.6	Very high	47 Å²	47	69.7 Å²	69.7	49%	0.485	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.2	-2.2	-176.5	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 2.93Å
246	E	95.8	Very high	95.6	Very high	146 Å²	146	77.3 Å²	77.3	68%	0.682	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	126	176	-62.1	-172.7	165.2	0	0	111.6	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; R243-E246 PolarHBondContact N-O 3.13Å; R243-E246 PolarHBondContact O-N 3.14Å; E246-Q248 PolarHBondContact O-NE2 2.88Å
247	D	95.7	Very high	95.7	Very high	95 Å²	95	72.6 Å²	72.6	51%	0.508	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	133	-179.4	-67.6	-33.4	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.45Å; Q242-D247 PolarHBondContact NE2-OD1 3.19Å
248	Q	95.7	Very high	95.7	Very high	24 Å²	24	76.8 Å²	76.8	11%	0.112	40%	0.398	C	S	.	.			trans	-103.3	33.2	-175.9	-55.6	-63	-83	0	0	112.3	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.98Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-NE2 2.88Å; Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 3.28Å; Q248-Q250 VanDerWaalsContact O-N 3.15Å; Q248-D251 PolarHBondContact O-N 2.88Å; Q248-D251 VanDerWaalsContact O-N 3.11Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 2.65Å; Q248-T252 VanDerWaalsContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 3.43Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å
249	T	90.7	Very high	95.7	Very high	101 Å²	101	78.2 Å²	78.2	62%	0.62	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.2	-167.7	-50.1	0	0	0	0	114.6
250	Q	90.4	Very high	95.7	Very high	192 Å²	192	80.3 Å²	80.3	90%	0.897	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-30.9	179	-64.5	-173.3	9.2	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 3.28Å; Q248-Q250 VanDerWaalsContact O-N 3.15Å
251	D	89.1	Confident	95.5	Very high	118 Å²	118	82.2 Å²	82.2	63%	0.631	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	4.3	-178.6	-54.4	-64.6	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 2.88Å; Q248-D251 VanDerWaalsContact O-N 3.11Å
252	T	95.7	Very high	95.2	Very high	23 Å²	23	87.6 Å²	87.6	14%	0.141	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.5	-179.6	-63.1	0	0	0	0	111.3	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 2.65Å; Q248-T252 VanDerWaalsContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 3.43Å; T252-L254 HydrophobicContact CG2-CB 4.38Å; T252-L254 PolarHBondContact O-N 3.47Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.44Å
253	E	97.1	Very high	94.9	Very high	114 Å²	114	87.8 Å²	87.8	53%	0.533	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	101.4	163.8	-174.3	-172.3	-162.5	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 VanDerWaalsContact OE2-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.27Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.21Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.38Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.19Å; E253-A270 PolarHBondContact O-N 2.9Å
254	L	97.1	Very high	94.8	Very high	91 Å²	91	84.7 Å²	84.7	48%	0.476	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121	177.4	-174.7	69.4	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.12Å; T252-L254 HydrophobicContact CG2-CB 4.38Å; T252-L254 PolarHBondContact O-N 3.47Å; L254-K267 HydrophobicContact CD1-CD 4.5Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
255	V	96.9	Very high	94.9	Very high	33 Å²	33	81.2 Å²	81.2	20%	0.2	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-85.1	153.5	174.8	-64.1	0	0	0	0	112.5	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.38Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 2.86Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 VanDerWaalsContact CG1-CE2 3.48Å; V255-W268 HydrophobicContact CG1-CE3 4.34Å; V255-W268 HydrophobicContact CG1-CH2 3.72Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.19Å; V255-W268 HydrophobicContact CG2-CD2 3.85Å; V255-W268 HydrophobicContact CG2-CG 3.8Å; V255-W268 WeakPolarHBondContact CG2-O 3.24Å; V255-W268 PolarHBondContact N-O 2.81Å
256	E	97	Very high	95.2	Very high	173 Å²	173	81 Å²	81	81%	0.808	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-55.4	147.7	165.9	-67.7	-177.1	170.9	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 2.88Å
257	T	97.9	Very high	95.4	Very high	45 Å²	45	75 Å²	75	28%	0.276	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-70.1	130.2	174.5	-55.4	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.31Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 3.99Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; T257-K267 WeakPolarHBondContact OG1-CD 3.43Å; T257-K267 PolarHBondContact OG1-NZ 3.36Å
258	R	97.4	Very high	95.5	Very high	97 Å²	97	71.7 Å²	71.7	37%	0.366	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.9	-174.5	70.3	-165	-177.6	-164.1	1.2	111.2	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.88Å; R258-F265 WeakPolarHBondContact O-CA 3.44Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 3.41Å; R258-Q266 VanDerWaalsContact NE-CD 3.25Å; R258-Q266 VanDerWaalsContact O-CG 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.34Å; R258-Q266 PolarHBondContact O-N 2.84Å
259	P	97.2	Very high	95.6	Very high	88 Å²	88	70.6 Å²	70.6	57%	0.571	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	149.6	178	27.7	-34.7	0	0	0	111.5	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.21Å; P259-Q266 PolarHBondContact O-NE2 2.95Å
260	A	96.5	Very high	96	Very high	50 Å²	50	65.9 Å²	65.9	41%	0.413	37%	0.368	S	S	.	.			trans	-89	-21.3	169.5	0	0	0	0	0	112.6	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.29Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 3.31Å; A260-Q266 HydrophobicContact CB-CG 4.5Å
261	G	93.2	Very high	96.3	Very high	77 Å²	77	56.8 Å²	56.8	79%	0.794	33%	0.325	S	S	*	.	S	Bend	trans	98.6	-5.2	178.5	0	0	0	0	0	115
262	D	92.6	Very high	96.7	Very high	115 Å²	115	54.9 Å²	54.9	62%	0.615	32%	0.318	S	S	*	.	S	Bend	trans	-103.3	9.5	175.4	58.3	5.2	0	0	0	113.2	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.29Å; D262-T264 WeakPolarHBondContact OD1-CB 3.47Å; D262-T264 PolarHBondContact OD1-N 2.78Å; D262-T264 PolarHBondContact OD1-OG1 3.34Å
263	G	91.4	Very high	96.8	Very high	42 Å²	42	53.8 Å²	53.8	43%	0.433	31%	0.311	S	S	.	.	S	Bend	trans	92.1	-4	-172.2	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.37Å
264	T	96.3	Very high	96.8	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.043	30%	0.3	C	S	.	.			trans	-103	171.9	174.3	75.2	0	0	0	0	112.8	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.35Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 3.31Å; D262-T264 WeakPolarHBondContact OD1-CB 3.47Å; D262-T264 PolarHBondContact OD1-N 2.78Å; D262-T264 PolarHBondContact OD1-OG1 3.34Å
265	F	98.1	Very high	96.6	Very high	27 Å²	27	49 Å²	49	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	163.9	-177.4	-65.5	-85.3	0	0	0	112.7	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.72Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 2.81Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.33Å; F232-F265 WeakPolarHBondContact CE1-O 3.45Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 2.84Å; F232-F265 PolarHBondContact O-N 3.06Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.79Å; A235-F265 HydrophobicContact CB-CE2 3.73Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.79Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 3.99Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; R258-F265 WeakPolarHBondContact O-CA 3.44Å; P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.21Å
266	Q	98.3	Very high	96.3	Very high	42 Å²	42	50.6 Å²	50.6	20%	0.196	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.1	176.5	39.2	161.9	-25.7	0	0	110.2	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.35Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 3.41Å; R258-Q266 VanDerWaalsContact NE-CD 3.25Å; R258-Q266 VanDerWaalsContact O-CG 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.34Å; R258-Q266 PolarHBondContact O-N 2.84Å; P259-Q266 PolarHBondContact O-NE2 2.95Å; A260-Q266 HydrophobicContact CB-CG 4.5Å
267	K	98.6	Very high	96.2	Very high	22 Å²	22	44.8 Å²	44.8	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.4	177.1	-160.9	-176.2	-169.8	66.8	0	109.2	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.04Å; A229-K267 PolarHBondContact O-N 2.96Å; A229-K267 VanDerWaalsContact O-O 3.05Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.5Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.38Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 2.86Å; T257-K267 WeakPolarHBondContact OG1-CD 3.43Å; T257-K267 PolarHBondContact OG1-NZ 3.36Å
268	W	98.4	Very high	96.1	Very high	25 Å²	25	43.6 Å²	43.6	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.1	168.1	58	-96.4	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.97Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.78Å; R226-W268 HydrophobicContact CG-CG 4.16Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.15Å; C227-W268 WeakPolarHBondContact O-CB 3.46Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.78Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.32Å; W228-W268 HydrophobicContact CZ3-CB 4.35Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å; E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.97Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 VanDerWaalsContact OE2-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.27Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.21Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 VanDerWaalsContact CG1-CE2 3.48Å; V255-W268 HydrophobicContact CG1-CE3 4.34Å; V255-W268 HydrophobicContact CG1-CH2 3.72Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.19Å; V255-W268 HydrophobicContact CG2-CD2 3.85Å; V255-W268 HydrophobicContact CG2-CG 3.8Å; V255-W268 WeakPolarHBondContact CG2-O 3.24Å; V255-W268 PolarHBondContact N-O 2.81Å; W268-A270 HydrophobicContact CE3-CB 3.89Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.4	Very high	96	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.6	173.7	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.44Å; C227-A269 PolarHBondContact N-O 3.17Å; C227-A269 PolarHBondContact O-N 2.9Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 2.85Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.38Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
270	A	98.1	Very high	96	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.4	179	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.39Å; R226-A270 HydrophobicContact CB-CB 3.91Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.44Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.19Å; E253-A270 PolarHBondContact O-N 2.9Å; W268-A270 HydrophobicContact CE3-CB 3.89Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	97.9	Very high	96.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.3	178.6	58.4	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.13Å; L225-V271 HydrophobicContact CB-CG1 4.17Å; L225-V271 PolarHBondContact N-O 3.02Å; L225-V271 PolarHBondContact O-N 2.89Å; W241-V271 HydrophobicContact CB-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.54Å; W241-V271 HydrophobicContact CE3-CG1 3.98Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.71Å; W241-V271 HydrophobicContact CZ2-CG1 4.19Å; W241-V271 HydrophobicContact CZ3-CG1 4.49Å; V271-V273 HydrophobicContact CG1-CG1 3.89Å; V271-V273 HydrophobicContact CG2-CG1 4.27Å; V271-Y281 HydrophobicContact CG1-CD1 4.12Å; V271-Y281 HydrophobicContact CG2-CD1 4.24Å; V271-Y281 HydrophobicContact CG2-CE1 3.89Å
272	V	97.6	Very high	96.3	Very high	78 Å²	78	38.6 Å²	38.6	47%	0.473	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.3	170.9	-177.7	0	0	0	0	108.2	E222	E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	96.7	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144	-175.7	-51.2	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.03Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 2.77Å; A223-V273 PolarHBondContact O-N 3.28Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.14Å; L225-V273 HydrophobicContact CG-CG1 4.1Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.89Å; V271-V273 HydrophobicContact CG2-CG1 4.27Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.5	Very high	96.9	Very high	46 Å²	46	33.5 Å²	33.5	30%	0.299	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	141.2	170.4	-20	32.2	0	0	0	111.3	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.36Å; P274-G276 PolarHBondContact O-N 3.42Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 WeakPolarHBondContact O-CB 3.03Å; P274-E277 PolarHBondContact O-N 3.42Å
275	S	92.8	Very high	96.9	Very high	57 Å²	57	33.2 Å²	33.2	40%	0.399	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	129	177.3	-62.1	0	0	0	0	111.8	H221 E222 E278	H221-S275 PolarHBondContact O-N 3.46Å; H221-S275 PolarHBondContact O-OG 2.98Å; E222-S275 PolarHBondContact N-OG 2.52Å; S275-E278 WeakPolarHBondContact CA-OE1 3.02Å
276	G	91.8	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	87.6	-5.5	-174.6	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.42Å; G276-E278 WeakPolarHBondContact CA-OE2 3.37Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 2.95Å; G276-E278 VanDerWaalsContact N-OE2 3.09Å
277	E	95.6	Very high	96.8	Very high	52 Å²	52	33.6 Å²	33.6	24%	0.243	19%	0.185	C	C	.	.			trans	-98.7	1	174.8	-68.5	-156.1	-152.3	0	0	113.9	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 2.79Å; R243-E277 IonicContact NE-OE2 3.5Å; R243-E277 IonicContact NH2-OE1 3.22Å; R243-E277 IonicContact NH2-OE2 3.99Å; R243-E277 PolarHBondContact NH2-OE2 3.02Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.47Å; P274-E277 WeakPolarHBondContact O-CB 3.03Å; P274-E277 PolarHBondContact O-N 3.42Å; E277-Q279 PolarHBondContact O-N 3.04Å; E277-R280 VanDerWaalsContact CD-NH1 3.34Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 2.98Å; E277-R280 IonicContact OE1-NH1 3.6Å; E277-R280 WeakPolarHBondContact OE2-CD 3.48Å; E277-R280 IonicContact OE2-CZ 3.82Å; E277-R280 IonicContact OE2-NE 3.8Å; E277-R280 IonicContact OE2-NH1 2.67Å; E277-R280 PolarHBondContact OE2-NH1 2.76Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.22Å
278	E	95.2	Very high	96.4	Very high	20 Å²	20	35.8 Å²	35.8	9%	0.093	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-56.8	-31.3	-169.3	-54.3	81.1	-176.2	0	0	113	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.14Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.4Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.02Å; G276-E278 WeakPolarHBondContact CA-OE2 3.37Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 2.95Å; G276-E278 VanDerWaalsContact N-OE2 3.09Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.31Å; E278-Y281 PolarHBondContact O-N 2.87Å; E278-W298 HydrophobicContact CB-CD2 4.5Å; E278-W298 HydrophobicContact CB-CE3 3.46Å; E278-W298 VanDerWaalsContact CB-CE3 3.46Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	95.3	Very high	96.1	Very high	90 Å²	90	35.2 Å²	35.2	42%	0.421	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-74.7	-13.4	179.8	-62.6	-57.7	-45.5	0	0	114.4	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.04Å; Q279-Y281 VanDerWaalsContact C-N 3.28Å; Q279-W298 PolarHBondContact NE2-O 3.28Å
280	R	96.9	Very high	95.8	Very high	101 Å²	101	35.6 Å²	35.6	38%	0.381	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-76.8	-18.9	171.1	-62.5	174	68.8	175.4	5.1	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 2.98Å; R243-R280 HydrophobicContact CG-CB 4.35Å; D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 WeakPolarHBondContact OD1-CB 3.47Å; D244-R280 IonicContact OD1-NE 2.69Å; D244-R280 PolarHBondContact OD1-NE 2.7Å; D244-R280 IonicContact OD2-CZ 3.37Å; D244-R280 IonicContact OD2-NE 3.54Å; D244-R280 PolarHBondContact OD2-NE 2.8Å; D244-R280 IonicContact OD2-NH2 3.6Å; D244-R280 PolarHBondContact OD2-NH2 3.47Å; E277-R280 VanDerWaalsContact CD-NH1 3.34Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 2.98Å; E277-R280 IonicContact OE1-NH1 3.6Å; E277-R280 WeakPolarHBondContact OE2-CD 3.48Å; E277-R280 IonicContact OE2-CZ 3.82Å; E277-R280 IonicContact OE2-NE 3.8Å; E277-R280 IonicContact OE2-NH1 2.67Å; E277-R280 PolarHBondContact OE2-NH1 2.76Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.31Å
281	Y	97.7	Very high	95.5	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.9	-177.3	-68.9	-99.8	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.29Å; Q242-Y281 WeakPolarHBondContact O-CA 3.46Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 WeakPolarHBondContact CD-OH 3.46Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CD2 4.42Å; R243-Y281 HydrophobicContact CG-CE1 4.04Å; R243-Y281 HydrophobicContact CG-CE2 4.02Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG1-CD1 4.12Å; V271-Y281 HydrophobicContact CG2-CD1 4.24Å; V271-Y281 HydrophobicContact CG2-CE1 3.89Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.74Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.22Å; E278-Y281 PolarHBondContact O-N 2.87Å; Q279-Y281 VanDerWaalsContact C-N 3.28Å
282	T	98	Very high	95.3	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.2	177	41.9	0	0	0	0	110.2	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.41Å; Q242-T282 PolarHBondContact N-O 2.97Å; Q242-T282 PolarHBondContact O-N 3.21Å; Q242-T282 PolarHBondContact O-OG1 3.49Å; T282-H284 WeakPolarHBondContact CB-NE2 3.42Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; T282-T295 HydrophobicContact CG2-CG2 3.86Å; T282-L296 CarbonylContact C-O 3.46Å; T282-L296 WeakPolarHBondContact CA-O 3.14Å; T282-R297 HydrophobicContact CG2-CG 3.67Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å
283	C	98.3	Very high	95.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.2	169.5	173.8	0	0	0	0	109.2	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.29Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.11Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.25Å; W241-C283 HydrophobicContact CD2-CB 4.1Å; W241-C283 HydrophobicContact CE3-CB 4.04Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.5Å; C283-T295 WeakPolarHBondContact O-CA 3.44Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.37Å; C283-L296 PolarHBondContact O-N 3.19Å
284	H	97.9	Very high	95.1	Very high	50 Å²	50	50.6 Å²	50.6	23%	0.231	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.7	176	-62.9	-97.6	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.47Å; T240-H284 PolarHBondContact N-O 3.06Å; T240-H284 PolarHBondContact O-N 3.12Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.5Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.45Å; Q242-H284 PolarHBondContact OE1-NE2 3.49Å; T282-H284 WeakPolarHBondContact CB-NE2 3.42Å; T282-H284 PolarHBondContact OG1-NE2 2.87Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.08Å; H284-T295 VanDerWaalsContact CE1-CG2 3.44Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.27Å; H284-T295 PolarHBondContact CE1-OG1 3.25Å; H284-T295 PolarHBondContact ND1-OG1 3.14Å
285	V	98	Very high	95.2	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.2	-176.5	-175	0	0	0	0	109.7	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.98Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.12Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; T238-V285 WeakPolarHBondContact O-CA 3.07Å; L239-V285 HydrophobicContact CD1-CG1 4Å; L239-V285 HydrophobicContact CD1-CG2 4.41Å; L239-V285 HydrophobicContact CG-CG2 4.26Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; V285-P293 WeakPolarHBondContact O-CA 3.47Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 2.88Å; V285-L294 PolarHBondContact O-N 2.92Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
286	Q	97	Very high	95.4	Very high	73 Å²	73	51 Å²	51	34%	0.341	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.1	175	-52.9	-179.5	15.1	0	0	109	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; T238-Q286 PolarHBondContact N-O 3.16Å; T238-Q286 PolarHBondContact O-N 3.38Å; Q286-P293 HydrophobicContact CG-CB 4Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
287	H	95.4	Very high	95.6	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	138	-174.5	178.8	-96.7	0	0	0	109.8	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 VanDerWaalsContact CH2-C 3.44Å; W23-H287 WeakPolarHBondContact CH2-O 3.22Å; W23-H287 WeakPolarHBondContact CZ3-O 3.25Å; E207-H287 PolarHBondContact O-CE1 2.87Å; P209-H287 HydrophobicContact CG-CB 4.03Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.72Å; Y233-H287 PolarHBondContact O-CE1 3.14Å; P234-H287 PolarHBondContact O-NE2 3.17Å; E236-H287 PolarHBondContact O-CD2 2.95Å; E236-H287 VanDerWaalsContact O-CD2 3.25Å; I237-H287 HydrophobicContact CD1-CB 4.11Å; I237-H287 HydrophobicContact CG1-CB 3.97Å; H287-G289 PolarHBondContact ND1-N 3.12Å; H287-G289 PolarHBondContact O-N 3.39Å; H287-L290 HydrophobicContact CB-CD1 4.02Å; H287-L290 HydrophobicContact CB-CG 4.24Å; H287-L290 WeakPolarHBondContact O-CB 3.28Å; H287-L290 PolarHBondContact O-N 2.93Å
288	E	91.4	Very high	95.6	Very high	68 Å²	68	54.3 Å²	54.3	32%	0.318	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-33.6	-175.2	-177.5	-179.9	92.9	0	0	115.2	W23 A206 P234	W23-E288 VanDerWaalsContact CZ3-C 3.43Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; A206-E288 HydrophobicContact CB-CG 4.25Å; P234-E288 HydrophobicContact CG-CB 4.2Å
289	G	91.1	Very high	95.3	Very high	13 Å²	13	61.3 Å²	61.3	13%	0.134	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-38.6	177.2	0	0	0	0	0	113	A206 H208 H287	A206-G289 VanDerWaalsContact CB-CA 3.49Å; H208-G289 PolarHBondContact CE1-O 3.44Å; H208-G289 PolarHBondContact ND1-O 3.14Å; H287-G289 PolarHBondContact ND1-N 3.12Å; H287-G289 PolarHBondContact O-N 3.39Å
290	L	93.5	Very high	94.7	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.047	31%	0.306	C	S	.	.			trans	-70.9	121.3	-169.2	-64.2	172.2	0	0	0	112	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.47Å; W23-L290 WeakPolarHBondContact CZ3-O 3.47Å; H208-L290 HydrophobicContact CB-CD2 4.13Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.34Å; P209-L290 HydrophobicContact CG-CG 4.17Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; H287-L290 HydrophobicContact CB-CD1 4.02Å; H287-L290 HydrophobicContact CB-CG 4.24Å; H287-L290 WeakPolarHBondContact O-CB 3.28Å; H287-L290 PolarHBondContact O-N 2.93Å; L290-E292 PolarHBondContact O-N 3.36Å; L290-L294 HydrophobicContact CD1-CD1 4.02Å; L290-L294 HydrophobicContact CD1-CG 3.9Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CG 4.5Å
291	P	91.4	Very high	93.2	Very high	123 Å²	123	60.8 Å²	60.8	80%	0.799	32%	0.322	S	S	*	.	S	Bend	trans	-65.5	-25.9	179.2	27.9	-35.6	0	0	0	113
292	E	92.4	Very high	90.9	Very high	152 Å²	152	65.9 Å²	65.9	71%	0.71	36%	0.359	S	S	*	.	S	Bend	trans	-141.4	148.4	171.7	-65.7	-176	175.9	0	0	108.9	L290 L294	L290-E292 PolarHBondContact O-N 3.36Å; E292-L294 PolarHBondContact O-N 2.74Å
293	P	95	Very high	88.5	Confident	61 Å²	61	73.2 Å²	73.2	40%	0.396	39%	0.392	S	S	.	.			trans	-53.3	135	173.5	-28.8	37.1	0	0	0	113.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.47Å; Q286-P293 HydrophobicContact CG-CB 4Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
294	L	96.6	Very high	86	Confident	60 Å²	60	78.2 Å²	78.2	31%	0.314	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135.8	174.8	-64	177.5	0	0	0	110.4	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.31Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.08Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 2.88Å; V285-L294 PolarHBondContact O-N 2.92Å; L290-L294 HydrophobicContact CD1-CD1 4.02Å; L290-L294 HydrophobicContact CD1-CG 3.9Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CG 4.5Å; E292-L294 PolarHBondContact O-N 2.74Å
295	T	97.6	Very high	83.8	Confident	76 Å²	76	82.2 Å²	82.2	47%	0.466	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.7	168.6	-55.8	0	0	0	0	109.3	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.86Å; C283-T295 CarbonylContact O-C 3.5Å; C283-T295 WeakPolarHBondContact O-CA 3.44Å; H284-T295 VanDerWaalsContact CE1-CG2 3.44Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.27Å; H284-T295 PolarHBondContact CE1-OG1 3.25Å; H284-T295 PolarHBondContact ND1-OG1 3.14Å
296	L	97	Very high	81.7	Confident	35 Å²	35	87.3 Å²	87.3	18%	0.183	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145	-172.9	-60.9	157.4	0	0	0	110.4	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.47Å; T211-L296 HydrophobicContact CG2-CD1 4.16Å; V213-L296 HydrophobicContact CG2-CB 3.98Å; T282-L296 CarbonylContact C-O 3.46Å; T282-L296 WeakPolarHBondContact CA-O 3.14Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.37Å; C283-L296 PolarHBondContact O-N 3.19Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
297	R	96.1	Very high	79.8	Confident	144 Å²	144	88 Å²	88	54%	0.543	49%	0.489	S	S	.	.			trans	-119.5	164.7	167.1	-69.9	-173.6	176.2	165.7	-0.8	109.7	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.67Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å; R297-E299 PolarHBondContact O-N 3.21Å
298	W	95.8	Very high	78.2	Confident	46 Å²	46	93.7 Å²	93.7	17%	0.174	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-71.5	121.9	165.5	171.1	55.8	0	0	0	110.1	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.44Å; V213-W298 HydrophobicContact CG1-CB 3.8Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 HydrophobicContact CB-CG 4.1Å; H215-W298 HydrophobicContact CB-CZ2 4.06Å; H215-W298 VanDerWaalsContact CB-NE1 3.32Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.96Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CD2 4.5Å; E278-W298 HydrophobicContact CB-CE3 3.46Å; E278-W298 VanDerWaalsContact CB-CE3 3.46Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 3.28Å; W298-P300 HydrophobicContact CE3-CG 4.31Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.86Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 3.99Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å
299	E	89.6	Confident	76.9	Confident	166 Å²	166	96.3 Å²	96.3	78%	0.776	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-98.1	120.3	168	-67.2	-171.9	167.2	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 3.21Å; E299-S301 PolarHBondContact O-N 3.33Å
300	P	81.8	Confident	75.7	Confident	79 Å²	79	97.8 Å²	97.8	51%	0.513	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-58.9	128.8	170.9	-21.7	32.5	0	0	0	109.7	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.31Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.86Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 3.99Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å; P300-S302 PolarHBondContact O-N 2.91Å
301	S	65.6	Low	74.7	Confident	101 Å²	101	101.7 Å²	101.7	71%	0.706	58%	0.575	S	S	*	*			trans	-61.5	112	-172.6	78.5	0	0	0	0	110.9	E299 Q303	E299-S301 PolarHBondContact O-N 3.33Å; S301-Q303 PolarHBondContact O-N 3.2Å
302	S	49.8	Very low	73.9	Confident	115 Å²	115	100.1 Å²	100.1	80%	0.804	56%	0.563	S	S	*	*			trans	-78.7	53.9	173.4	51.5	0	0	0	0	110.6	P300 P304	P300-S302 PolarHBondContact O-N 2.91Å; S302-P304 WeakPolarHBondContact O-CD 3.32Å; S302-P304 VanDerWaalsContact O-N 3.15Å
303	Q	46.3	Very low	73	Confident	162 Å²	162	95.4 Å²	95.4	76%	0.757	55%	0.55	S	S	*	.			trans	-63.8	112.6	157.8	-78.1	-165.5	-12.5	0	0	106.5	S301 T305	S301-Q303 PolarHBondContact O-N 3.2Å; Q303-T305 PolarHBondContact O-N 3.42Å
304	P	45.6	Very low	72.3	Confident	106 Å²	106	94.1 Å²	94.1	69%	0.688	55%	0.547	S	S	*	.			trans	-63.1	119.5	167.2	28.2	-31.7	0	0	0	105.7	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.32Å; S302-P304 VanDerWaalsContact O-N 3.15Å; P304-I306 PolarHBondContact O-N 2.87Å
305	T	51.9	Low	71.7	Confident	134 Å²	134	96.5 Å²	96.5	82%	0.822	56%	0.56	S	S	*	*			trans	-64.3	83.4	164.4	-48.1	0	0	0	0	106.6	Q303 P307	Q303-T305 PolarHBondContact O-N 3.42Å; T305-P307 WeakPolarHBondContact O-CD 3.45Å
306	I	55	Low	71	Confident	107 Å²	107	95.4 Å²	95.4	55%	0.549	56%	0.558	S	S	.	*			trans	-50.2	119.8	171.8	-63.4	176.5	0	0	0	104.3	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.87Å; I306-I308 PolarHBondContact O-N 2.99Å; I306-I311 HydrophobicContact CG2-CD1 3.76Å
307	P	57.7	Low	70.3	Confident	86 Å²	86	97.8 Å²	97.8	56%	0.558	57%	0.574	S	S	*	*			trans	-74.9	80.8	-172.7	28.7	-34	0	0	0	108.2	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.45Å; P307-V309 PolarHBondContact O-N 2.72Å; P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 3.03Å; P307-I311 PolarHBondContact O-N 3.29Å
308	I	61.1	Low	69.8	Low	124 Å²	124	96.2 Å²	96.2	64%	0.636	58%	0.576	S	S	*	*	H	α-helix	trans	-54	-37.7	177.5	-66.7	166	0	0	0	108.9	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.99Å; I308-G310 PolarHBondContact O-N 3.35Å; I308-I311 PolarHBondContact O-N 3.16Å; I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.34Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3.08Å
309	V	63.2	Low	69.2	Low	123 Å²	123	96.8 Å²	96.8	75%	0.745	59%	0.59	S	S	*	*	H	α-helix	trans	-57.2	-43.7	171.4	-178.4	0	0	0	0	112.4	P307 A313	P307-V309 PolarHBondContact O-N 2.72Å; V309-A313 VanDerWaalsContact O-CB 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.29Å; V309-A313 PolarHBondContact O-N 3.19Å
310	G	65.8	Low	69	Low	44 Å²	44	93 Å²	93	45%	0.454	58%	0.578	S	S	.	*	H	α-helix	trans	-68.6	-39.2	178.2	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 3.03Å; I308-G310 PolarHBondContact O-N 3.35Å; G310-G314 PolarHBondContact O-N 2.92Å
311	I	72.8	Confident	69.1	Low	92 Å²	92	94.2 Å²	94.2	47%	0.472	58%	0.58	S	S	.	*	H	α-helix	trans	-67.3	-45.9	175.8	-62	174.1	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.76Å; P307-I311 PolarHBondContact O-N 3.29Å; I308-I311 PolarHBondContact O-N 3.16Å; I311-G314 PolarHBondContact O-N 3.24Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.35Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 2.83Å
312	V	74.6	Confident	69.9	Low	90 Å²	90	92.6 Å²	92.6	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-63.6	-42.8	177.5	170.9	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.34Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3.08Å; V312-L315 PolarHBondContact O-N 2.8Å; V312-A316 WeakPolarHBondContact O-CB 3.19Å; V312-A316 PolarHBondContact O-N 3.14Å
313	A	74.5	Confident	71.5	Confident	53 Å²	53	91.5 Å²	91.5	44%	0.438	56%	0.561	S	S	.	*	H	α-helix	trans	-62.8	-44.4	174.9	0	0	0	0	0	112	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.29Å; V309-A313 PolarHBondContact O-N 3.19Å; A313-A316 PolarHBondContact O-N 2.67Å; A313-V317 WeakPolarHBondContact O-CG2 3.49Å; A313-V317 PolarHBondContact O-N 2.86Å
314	G	80.5	Confident	73.2	Confident	34 Å²	34	88.5 Å²	88.5	35%	0.351	55%	0.55	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.6	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.92Å; I311-G314 PolarHBondContact O-N 3.24Å; G314-V317 PolarHBondContact O-N 3.03Å; G314-L318 WeakPolarHBondContact O-CG 3.34Å; G314-L318 PolarHBondContact O-N 2.96Å
315	L	84.3	Confident	74.8	Confident	109 Å²	109	85.4 Å²	85.4	57%	0.571	54%	0.537	S	S	*	.	H	α-helix	trans	-65.8	-39.1	176	-71.9	171.9	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.35Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 2.83Å; V312-L315 PolarHBondContact O-N 2.8Å; L315-L318 PolarHBondContact O-N 2.88Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 2.83Å
316	A	81.6	Confident	76.1	Confident	53 Å²	53	81.8 Å²	81.8	44%	0.438	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-43.4	175.3	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.19Å; V312-A316 PolarHBondContact O-N 3.14Å; A313-A316 PolarHBondContact O-N 2.67Å; A316-A319 PolarHBondContact O-N 3.38Å; A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 2.9Å
317	V	83.8	Confident	77.2	Confident	85 Å²	85	80.5 Å²	80.5	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-44.5	175.5	171.7	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.49Å; A313-V317 PolarHBondContact O-N 2.86Å; G314-V317 PolarHBondContact O-N 3.03Å; V317-A319 PolarHBondContact O-N 2.81Å; V317-V320 PolarHBondContact O-N 3.13Å; V317-L321 HydrophobicContact CG1-CD1 3.95Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.42Å; V317-L321 PolarHBondContact O-N 3.32Å
318	L	83.7	Confident	78.1	Confident	112 Å²	112	82.1 Å²	82.1	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-61.1	-41.4	176.1	-79.6	166.4	0	0	0	112.4	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CG 3.34Å; G314-L318 PolarHBondContact O-N 2.96Å; L315-L318 PolarHBondContact O-N 2.88Å; L318-L321 PolarHBondContact O-N 3.35Å; L318-A322 WeakPolarHBondContact O-CB 3.21Å; L318-A322 PolarHBondContact O-N 2.83Å
319	A	84.6	Confident	78.7	Confident	57 Å²	57	78.7 Å²	78.7	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-44	176	0	0	0	0	0	111.9	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 2.83Å; A316-A319 PolarHBondContact O-N 3.38Å; V317-A319 PolarHBondContact O-N 2.81Å; A319-A322 PolarHBondContact O-N 3.2Å; A319-V323 WeakPolarHBondContact O-CG2 3.3Å; A319-V323 PolarHBondContact O-N 3.4Å
320	V	84.5	Confident	79.2	Confident	87 Å²	87	76.7 Å²	76.7	53%	0.527	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-44.2	175.8	170.7	0	0	0	0	111.3	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 2.9Å; V317-V320 PolarHBondContact O-N 3.13Å; V320-A322 PolarHBondContact O-N 2.84Å; V320-V323 PolarHBondContact O-N 2.86Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 WeakPolarHBondContact O-CB 3.32Å; V320-L324 WeakPolarHBondContact O-CG 3.46Å; V320-L324 PolarHBondContact O-N 3.08Å
321	L	84.6	Confident	79.5	Confident	105 Å²	105	78.1 Å²	78.1	55%	0.55	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-39.3	176.9	-70.7	172.9	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.95Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.42Å; V317-L321 PolarHBondContact O-N 3.32Å; L318-L321 PolarHBondContact O-N 3.35Å; L321-L324 PolarHBondContact O-N 3.33Å; L321-G325 PolarHBondContact O-N 3.12Å
322	A	82.3	Confident	79.5	Confident	66 Å²	66	80 Å²	80	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-42.2	175.5	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.21Å; L318-A322 PolarHBondContact O-N 2.83Å; A319-A322 PolarHBondContact O-N 3.2Å; V320-A322 PolarHBondContact O-N 2.84Å; A322-G325 PolarHBondContact O-N 3.28Å; A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3.03Å
323	V	82.3	Confident	78.9	Confident	93 Å²	93	79.9 Å²	79.9	56%	0.564	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-45.1	175	171.5	0	0	0	0	111.1	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.3Å; A319-V323 PolarHBondContact O-N 3.4Å; V320-V323 PolarHBondContact O-N 2.86Å; V323-G325 PolarHBondContact O-N 3.08Å; V323-A326 PolarHBondContact O-N 3.43Å; V323-V327 HydrophobicContact CG1-CG2 4.47Å; V323-V327 WeakPolarHBondContact O-CG2 3.19Å; V323-V327 PolarHBondContact O-N 3.03Å
324	L	82	Confident	78.2	Confident	99 Å²	99	86.5 Å²	86.5	52%	0.518	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-42.9	175.8	-72.6	169.2	0	0	0	111.8	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 WeakPolarHBondContact O-CB 3.32Å; V320-L324 WeakPolarHBondContact O-CG 3.46Å; V320-L324 PolarHBondContact O-N 3.08Å; L321-L324 PolarHBondContact O-N 3.33Å; L324-V327 PolarHBondContact O-N 2.72Å; L324-M328 WeakPolarHBondContact O-CB 3.05Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.3Å; L324-M328 PolarHBondContact O-N 3.01Å
325	G	81.1	Confident	77.1	Confident	41 Å²	41	94.8 Å²	94.8	42%	0.423	54%	0.542	S	S	.	.	H	α-helix	trans	-60.5	-44.6	174.5	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.12Å; A322-G325 PolarHBondContact O-N 3.28Å; V323-G325 PolarHBondContact O-N 3.08Å; G325-M328 PolarHBondContact O-N 3.4Å; G325-A329 WeakPolarHBondContact O-CB 3.48Å; G325-A329 PolarHBondContact O-N 3.17Å
326	A	78.8	Confident	75.4	Confident	57 Å²	57	98.3 Å²	98.3	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-42.8	176.1	0	0	0	0	0	112.3	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3.03Å; V323-A326 PolarHBondContact O-N 3.43Å; A326-A329 PolarHBondContact O-N 3Å; A326-V330 WeakPolarHBondContact O-CG2 3.31Å; A326-V330 PolarHBondContact O-N 3.18Å
327	V	78.3	Confident	74	Confident	81 Å²	81	100.4 Å²	100.4	49%	0.491	56%	0.564	S	S	.	*	H	α-helix	trans	-62.1	-45.4	175.3	170.1	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.47Å; V323-V327 WeakPolarHBondContact O-CG2 3.19Å; V323-V327 PolarHBondContact O-N 3.03Å; L324-V327 PolarHBondContact O-N 2.72Å; V327-A329 PolarHBondContact O-N 3.01Å; V327-V330 PolarHBondContact O-N 3.17Å; V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.29Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.41Å; V327-V331 PolarHBondContact O-N 2.94Å
328	M	74.9	Confident	72.3	Confident	119 Å²	119	101.2 Å²	101.2	59%	0.586	57%	0.573	S	S	*	*	H	α-helix	trans	-62.2	-42.1	176.6	-73.1	-64.8	-72.1	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.05Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.3Å; L324-M328 PolarHBondContact O-N 3.01Å; G325-M328 PolarHBondContact O-N 3.4Å; M328-V331 PolarHBondContact O-N 3.36Å; M328-M332 WeakPolarHBondContact O-CB 3.16Å; M328-M332 WeakPolarHBondContact O-CG 3.29Å; M328-M332 PolarHBondContact O-N 3.13Å
329	A	73.9	Confident	70.2	Confident	53 Å²	53	98.9 Å²	98.9	44%	0.438	58%	0.576	S	S	.	*	H	α-helix	trans	-61.8	-44.2	174.3	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.48Å; G325-A329 PolarHBondContact O-N 3.17Å; A326-A329 PolarHBondContact O-N 3Å; V327-A329 PolarHBondContact O-N 3.01Å; A329-M332 PolarHBondContact O-N 3.03Å; A329-C333 WeakPolarHBondContact O-CB 3.46Å; A329-C333 PolarHBondContact O-N 3.44Å; A329-C333 PolarHBondContact O-SG 3.43Å
330	V	73.6	Confident	67.9	Low	81 Å²	81	100.4 Å²	100.4	49%	0.491	60%	0.598	S	S	.	*	H	α-helix	trans	-64	-41.1	176	169.6	0	0	0	0	111.7	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.31Å; A326-V330 PolarHBondContact O-N 3.18Å; V327-V330 PolarHBondContact O-N 3.17Å; V330-C333 PolarHBondContact O-N 2.89Å; V330-R334 WeakPolarHBondContact O-CB 3.44Å; V330-R334 PolarHBondContact O-N 2.94Å
331	V	73.3	Confident	65.5	Low	74 Å²	74	106.8 Å²	106.8	45%	0.448	62%	0.619	S	S	.	*	H	α-helix	trans	-65.9	-40.8	176.3	169.9	0	0	0	0	111.2	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.29Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.41Å; V327-V331 PolarHBondContact O-N 2.94Å; M328-V331 PolarHBondContact O-N 3.36Å; V331-R334 PolarHBondContact O-N 3.15Å; V331-R335 PolarHBondContact O-N 2.96Å
332	M	71.5	Confident	63	Low	131 Å²	131	105.7 Å²	105.7	65%	0.645	63%	0.632	S	S	*	*	H	α-helix	trans	-66.2	-42.2	174.4	-73.5	-174.6	71.5	0	0	112.2	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.16Å; M328-M332 WeakPolarHBondContact O-CG 3.29Å; M328-M332 PolarHBondContact O-N 3.13Å; A329-M332 PolarHBondContact O-N 3.03Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 2.75Å; M332-R335 PolarHBondContact O-N 3.26Å; M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 3.2Å
333	C	61.9	Low	60.6	Low	88 Å²	88	106.7 Å²	106.7	60%	0.595	65%	0.649	S	S	*	*	H	α-helix	trans	-62.7	-37	173.3	-76.7	0	0	0	0	112.3	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.46Å; A329-C333 PolarHBondContact O-N 3.44Å; A329-C333 PolarHBondContact O-SG 3.43Å; V330-C333 PolarHBondContact O-N 2.89Å; C333-K336 PolarHBondContact O-N 3.29Å; C333-S337 WeakPolarHBondContact O-CB 3.42Å; C333-S337 PolarHBondContact O-N 3.46Å; C333-S337 PolarHBondContact O-OG 2.72Å
334	R	60.2	Low	58.2	Low	192 Å²	192	107.7 Å²	107.7	73%	0.725	66%	0.66	S	S	*	*	H	α-helix	trans	-69.7	-37.5	173.2	-81.2	-175.8	156.9	170.5	-5	113.2	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.44Å; V330-R334 PolarHBondContact O-N 2.94Å; V331-R334 PolarHBondContact O-N 3.15Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 2.75Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-K336 PolarHBondContact O-N 3.03Å; R334-S337 WeakPolarHBondContact CA-OG 3.31Å; R334-S337 PolarHBondContact O-OG 3.49Å
335	R	57.3	Low	55.8	Low	207 Å²	207	108.5 Å²	108.5	78%	0.781	67%	0.673	S	S	*	*	H	α-helix	trans	-66.6	-30.6	170.6	-101.7	-177.2	167.4	176.7	-3.5	113.2	V331 M332 S338	V331-R335 PolarHBondContact O-N 2.96Å; M332-R335 PolarHBondContact O-N 3.26Å; R335-S338 PolarHBondContact O-OG 2.73Å
336	K	49.8	Very low	53.5	Low	183 Å²	183	111.5 Å²	111.5	80%	0.796	69%	0.688	S	S	*	*	H	α-helix	trans	-86.3	-14.6	-179.7	-163.2	168.9	-178.7	179.1	0	113.8	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 3.2Å; C333-K336 PolarHBondContact O-N 3.29Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-K336 PolarHBondContact O-N 3.03Å
337	S	51.4	Low	51.3	Low	97 Å²	97	118 Å²	118	68%	0.678	71%	0.708	S	S	*	*	S	Bend	trans	-96.2	-1.2	176.9	44.3	0	0	0	0	114.3	C333 R334	C333-S337 WeakPolarHBondContact O-CB 3.42Å; C333-S337 PolarHBondContact O-N 3.46Å; C333-S337 PolarHBondContact O-OG 2.72Å; R334-S337 WeakPolarHBondContact CA-OG 3.31Å; R334-S337 PolarHBondContact O-OG 3.49Å
338	S	47.5	Very low	48.9	Very low	102 Å²	102	118.3 Å²	118.3	71%	0.713	72%	0.719	S	S	*	*	S	Bend	trans	-93.5	26.8	174.1	69.3	0	0	0	0	114.1	R335	R335-S338 PolarHBondContact O-OG 2.73Å
339	G	41.3	Very low	46.9	Very low	63 Å²	63	116.8 Å²	116.8	65%	0.649	73%	0.726	S	S	*	*	S	Bend	trans	-170.7	120	177.4	0	0	0	0	0	114.5
340	G	36.2	Very low	45	Very low	89 Å²	89	119.8 Å²	119.8	92%	0.918	74%	0.744	S	S	*	*			trans	107.9	110.9	166.6	0	0	0	0	0	115
341	K	33.4	Very low	43.1	Very low	222 Å²	222	121.8 Å²	121.8	97%	0.965	76%	0.761	S	S	*	*			trans	-119	130.6	177	-178.8	177.1	-176.3	175.2	0	108.7
342	G	32.4	Very low	41.4	Very low	81 Å²	81	126.1 Å²	126.1	84%	0.835	78%	0.781	S	S	*	*			trans	142.5	143	166.8	0	0	0	0	0	115.4
343	G	31.1	Very low	39.9	Very low	87 Å²	87	125.9 Å²	125.9	90%	0.897	79%	0.793	S	S	*	*			trans	128.9	111	172.3	0	0	0	0	0	113.1
344	S	33.4	Very low	38.8	Very low	114 Å²	114	126 Å²	126	80%	0.797	80%	0.8	S	S	*	*			trans	-120.2	171.6	177.9	-174.6	0	0	0	0	110.4
345	C	30.4	Very low	37.7	Very low	116 Å²	116	126.6 Å²	126.6	78%	0.784	81%	0.811	S	S	*	*			trans	74.7	146.1	171.6	-65.2	0	0	0	0	116.3
346	S	33.1	Very low	36.5	Very low	105 Å²	105	120.1 Å²	120.1	73%	0.734	81%	0.808	S	S	*	*			cis	-163.4	151.4	-2.5	32.7	0	0	0	0	113.4
347	Q	32.9	Very low	35.9	Very low	192 Å²	192	117.2 Å²	117.2	90%	0.897	81%	0.811	S	S	*	*			trans	17	134.3	146.3	-104.2	171.7	-32.9	0	0	123.3
348	A	28.4	Very low	35.2	Very low	89 Å²	89	120.2 Å²	120.2	74%	0.736	82%	0.82	S	S	*	*				100.7	118.5	122	0	0	0	0	0	122.3
349	A	31.5	Very low	34.5	Very low	87 Å²	87	123.9 Å²	123.9	72%	0.719	83%	0.826	S	S	*	*				72.2	110.1	125	0	0	0	0	0	122.5
350	S	34.8	Very low	34.1	Very low	116 Å²	116	124.8 Å²	124.8	81%	0.811	82%	0.822	S	S	*	*				44.8	125.6	129.9	65.9	0	0	0	0	122.3
351	S	33.4	Very low	34	Very low	122 Å²	122	128.7 Å²	128.7	85%	0.853	82%	0.821	S	S	*	*				-162.6	152.3	121.3	56.6	0	0	0	0	112.5
352	N	37.6	Very low	34.1	Very low	165 Å²	165	125.8 Å²	125.8	88%	0.882	81%	0.814	S	S	*	*			trans	-82.7	158.1	176.1	-64.7	-33.6	0	0	0	112
353	S	40.7	Very low	34.3	Very low	127 Å²	127	126.2 Å²	126.2	89%	0.888	81%	0.81	S	S	*	*			trans	-152.8	155.4	138.1	46.7	0	0	0	0	110.3
354	A	37.7	Very low	34.3	Very low	90 Å²	90	128.3 Å²	128.3	74%	0.744	81%	0.809	S	S	*	*			trans	-130.8	-179	-166.9	0	0	0	0	0	111.9
355	Q	38	Very low	34.2	Very low	205 Å²	205	132.7 Å²	132.7	96%	0.958	81%	0.814	S	S	*	*			trans	94.8	129.6	-173	-60	173.4	-43.3	0	0	113.1
356	G	31	Very low	34.4	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	85%	0.846	S	S	*	*			cis	136.1	111.9	-3.7	0	0	0	0	0	111.5
357	S	38.3	Very low	34.5	Very low	122 Å²	122	137.1 Å²	137.1	85%	0.853	85%	0.852	S	S	*	*			trans	-160.4	126	165.5	-64.9	0	0	0	0	109.1
358	D	36.4	Very low	34.6	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	85%	0.849	S	S	*	*			trans	-69.8	-178	168	-47.3	-78.9	0	0	0	110.3
359	E	32.9	Very low	34.9	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	86%	0.855	S	S	*	*			cis	-148.3	166.9	-1.5	-137.2	-150.6	124.7	0	0	105.1
360	S	32.8	Very low	35.1	Very low	81 Å²	81	139.6 Å²	139.6	57%	0.566	86%	0.864	S	S	*	*			cis	-154.4	178.9	7.3	66.8	0	0	0	0	110.5
361	L	33.4	Very low	35.1	Very low	172 Å²	172	141.1 Å²	141.1	90%	0.901	87%	0.867	S	S	*	*			trans	-148.8	114.5	162.1	-106.1	170	0	0	0	108.7
362	I	37	Very low	35.2	Very low	161 Å²	161	142.4 Å²	142.4	83%	0.826	87%	0.868	S	S	*	*			trans	-98.7	114.8	167.3	-62.5	-178.8	0	0	0	108.5
363	A	36.4	Very low	35.1	Very low	90 Å²	90	140.8 Å²	140.8	74%	0.744	87%	0.867	S	S	*	*			trans	-133.4	126.7	160.1	0	0	0	0	0	107.9
364	C	29.6	Very low	34.7	Very low	131 Å²	131	141.8 Å²	141.8	89%	0.885	87%	0.865	S	S	*	*			trans	-153.7	138.7	154.7	-124.1	0	0	0	0	110.8
365	K	32.6	Very low	34.4	Very low	206 Å²	206	146.2 Å²	146.2	90%	0.896	88%	0.875	S	S	*	*			trans	-78.7	151.7	170.9	-70.1	169.8	167.1	178.1	0	110.2
366	A	34.3	Very low	34.1	Very low	176 Å²	176	140.8 Å²	140.8	100%	1.455	87%	0.868	S	S	*	*				-145.6	0	126.6	0	0	0	0	0	107.4

Retrieved 366 of 366 residues in 139.1 ms (Link to these results)

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