A0A077ZAE7_TRITR Loading...

Beta 1,4 galactosyltransferase 7

AlphaFold DB , UniProt , Accession A0A077ZAE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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	42.6	Very low	55.5	Low	233 Å²	233	148 Å²	148	100%	1.148	71%	0.713	S	S	*	*				0	95	0	-75.2	-179.4	173.3	0	0	110.1	F3	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.47Å
2	P	48.8	Very low	56.5	Low	116 Å²	116	149.8 Å²	149.8	75%	0.753	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	10	-174.2	34.1	-32.1	0	0	0	114.6	C4	P2-C4 PolarHBondContact O-N 3.4Å
3	F	49.8	Very low	57.5	Low	175 Å²	175	145.8 Å²	145.8	77%	0.768	69%	0.692	S	S	*	*	H	α-helix	trans	-79.9	-12.2	-173.7	-89.3	-84.7	0	0	0	115.7	M1	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.47Å
4	C	56.1	Low	58.5	Low	102 Å²	102	143.4 Å²	143.4	69%	0.689	69%	0.685	S	S	*	*	H	α-helix	trans	-81	-35.3	-174.4	-153.4	0	0	0	0	113.4	P2	P2-C4 PolarHBondContact O-N 3.4Å
5	F	52.6	Low	59.4	Low	165 Å²	165	141.3 Å²	141.3	72%	0.724	68%	0.678	S	S	*	*	H	α-helix	trans	-72	-31.7	-177.6	-94.6	-86.4	0	0	0	113.9	R7 L8 F9	F5-R7 PolarHBondContact O-N 3.5Å; F5-L8 PolarHBondContact O-N 3.32Å; F5-F9 PolarHBondContact O-N 3.5Å
6	R	55.3	Low	60.2	Low	196 Å²	196	140.1 Å²	140.1	74%	0.74	68%	0.676	S	S	*	*	H	α-helix	trans	-66.5	-37.1	-180	-112.3	-178.6	-179.8	-150.3	0.5	112.7	F9 L10	R6-F9 PolarHBondContact O-N 3.48Å; R6-L10 WeakPolarHBondContact O-CD1 3.37Å; R6-L10 PolarHBondContact O-N 3.11Å; R6-L10 VanDerWaalsContact O-N 3.11Å
7	R	55.6	Low	61	Low	208 Å²	208	139.1 Å²	139.1	79%	0.785	67%	0.668	S	S	*	*	H	α-helix	trans	-68.5	-37.5	-179.8	-76.2	-172.2	176.4	-144.5	0.2	112.5	F5 S11	F5-R7 PolarHBondContact O-N 3.5Å; R7-S11 WeakPolarHBondContact O-CB 3.44Å; R7-S11 PolarHBondContact O-N 3.37Å
8	L	57	Low	61.7	Low	102 Å²	102	137.2 Å²	137.2	53%	0.534	66%	0.661	S	S	.	*	H	α-helix	trans	-68.5	-38.3	178.5	-133.6	88	0	0	0	112	F5 R12	F5-L8 PolarHBondContact O-N 3.32Å; L8-R12 WeakPolarHBondContact O-CG 3.18Å; L8-R12 PolarHBondContact O-N 3.1Å; L8-R12 VanDerWaalsContact O-N 3.1Å
9	F	61.7	Low	62.4	Low	153 Å²	153	131.8 Å²	131.8	67%	0.671	65%	0.645	S	S	*	*	H	α-helix	trans	-67.4	-44.9	176.3	-101.6	-86.8	0	0	0	112.5	F5 R6 S11 R12 L13	F5-F9 PolarHBondContact O-N 3.5Å; R6-F9 PolarHBondContact O-N 3.48Å; F9-S11 VanDerWaalsContact C-N 3.34Å; F9-S11 PolarHBondContact O-N 2.97Å; F9-R12 PolarHBondContact O-N 3.48Å; F9-L13 WeakPolarHBondContact O-CB 3.33Å; F9-L13 PolarHBondContact O-N 3.04Å
10	L	63.5	Low	63	Low	119 Å²	119	127.8 Å²	127.8	62%	0.623	63%	0.634	S	S	*	*	H	α-helix	trans	-64.5	-37.9	176.4	-91.5	105	0	0	0	112.4	R6 L13 L14	R6-L10 WeakPolarHBondContact O-CD1 3.37Å; R6-L10 PolarHBondContact O-N 3.11Å; R6-L10 VanDerWaalsContact O-N 3.11Å; L10-L13 PolarHBondContact O-N 2.89Å; L10-L14 WeakPolarHBondContact O-CB 3.44Å; L10-L14 PolarHBondContact O-N 3.41Å
11	S	67.2	Low	63.6	Low	59 Å²	59	125.8 Å²	125.8	41%	0.413	63%	0.626	S	S	.	*	H	α-helix	trans	-62.5	-44.6	175.5	153.5	0	0	0	0	112	R7 F9 L14 L15	R7-S11 WeakPolarHBondContact O-CB 3.44Å; R7-S11 PolarHBondContact O-N 3.37Å; F9-S11 VanDerWaalsContact C-N 3.34Å; F9-S11 PolarHBondContact O-N 2.97Å; S11-L14 PolarHBondContact O-N 3.01Å; S11-L15 WeakPolarHBondContact O-CB 3.37Å; S11-L15 WeakPolarHBondContact O-CG 3.49Å; S11-L15 PolarHBondContact O-N 3.45Å
12	R	67.4	Low	65.2	Low	169 Å²	169	121.2 Å²	121.2	64%	0.638	60%	0.6	S	S	*	*	H	α-helix	trans	-65.7	-40.3	176.7	-74.1	179.9	178.2	-128.6	0.5	111.9	L8 F9 L15 L16	L8-R12 WeakPolarHBondContact O-CG 3.18Å; L8-R12 PolarHBondContact O-N 3.1Å; L8-R12 VanDerWaalsContact O-N 3.1Å; F9-R12 PolarHBondContact O-N 3.48Å; R12-L15 PolarHBondContact O-N 2.9Å; R12-L16 WeakPolarHBondContact O-CB 3.21Å; R12-L16 VanDerWaalsContact O-CG 3.28Å; R12-L16 WeakPolarHBondContact O-CG 3.28Å; R12-L16 PolarHBondContact O-N 3.28Å
13	L	70	Confident	66.6	Low	98 Å²	98	119.2 Å²	119.2	51%	0.513	59%	0.587	S	S	.	*	H	α-helix	trans	-65.6	-42.8	177.1	-157.5	78	0	0	0	111.4	F9 L10 L16 F17	F9-L13 WeakPolarHBondContact O-CB 3.33Å; F9-L13 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 2.89Å; L13-L16 PolarHBondContact O-N 3.47Å; L13-F17 HydrophobicContact CD1-CE2 4.4Å; L13-F17 HydrophobicContact CD2-CD2 4.44Å; L13-F17 HydrophobicContact CD2-CE2 3.94Å; L13-F17 HydrophobicContact CG-CD2 3.96Å; L13-F17 HydrophobicContact CG-CE2 3.77Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-F17 PolarHBondContact O-N 3Å
14	L	71.2	Confident	67.9	Low	112 Å²	112	114.7 Å²	114.7	59%	0.586	57%	0.57	S	S	*	*	H	α-helix	trans	-63.8	-41.7	177.3	-168.7	76.2	0	0	0	111.9	L10 S11 F17 L18	L10-L14 WeakPolarHBondContact O-CB 3.44Å; L10-L14 PolarHBondContact O-N 3.41Å; S11-L14 PolarHBondContact O-N 3.01Å; L14-F17 PolarHBondContact O-N 3.46Å; L14-L18 HydrophobicContact CG-CD1 4.24Å; L14-L18 WeakPolarHBondContact O-CB 3.34Å; L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 2.84Å
15	L	71.8	Confident	68.8	Low	112 Å²	112	115.1 Å²	115.1	59%	0.586	57%	0.565	S	S	*	*	H	α-helix	trans	-64.4	-38.9	175.2	-75.9	165	0	0	0	112	S11 R12 L18 G19	S11-L15 WeakPolarHBondContact O-CB 3.37Å; S11-L15 WeakPolarHBondContact O-CG 3.49Å; S11-L15 PolarHBondContact O-N 3.45Å; R12-L15 PolarHBondContact O-N 2.9Å; L15-L18 PolarHBondContact O-N 2.89Å; L15-G19 PolarHBondContact O-N 2.89Å
16	L	72.9	Confident	69.9	Low	122 Å²	122	110.7 Å²	110.7	64%	0.639	55%	0.549	S	S	*	.	H	α-helix	trans	-65.1	-41.1	173.5	-73.6	167.2	0	0	0	111.8	R12 L13 G19 A20	R12-L16 WeakPolarHBondContact O-CB 3.21Å; R12-L16 VanDerWaalsContact O-CG 3.28Å; R12-L16 WeakPolarHBondContact O-CG 3.28Å; R12-L16 PolarHBondContact O-N 3.28Å; L13-L16 PolarHBondContact O-N 3.47Å; L16-G19 PolarHBondContact O-N 2.97Å; L16-A20 VanDerWaalsContact O-CB 3.27Å; L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 3.3Å
17	F	72.8	Confident	70.8	Confident	123 Å²	123	106.9 Å²	106.9	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-67.1	-40.7	175.9	-88.1	-70.3	0	0	0	112.7	L13 L14 N21	L13-F17 HydrophobicContact CD1-CE2 4.4Å; L13-F17 HydrophobicContact CD2-CD2 4.44Å; L13-F17 HydrophobicContact CD2-CE2 3.94Å; L13-F17 HydrophobicContact CG-CD2 3.96Å; L13-F17 HydrophobicContact CG-CE2 3.77Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-F17 PolarHBondContact O-N 3Å; L14-F17 PolarHBondContact O-N 3.46Å; F17-N21 WeakPolarHBondContact O-CB 3.27Å; F17-N21 PolarHBondContact O-N 2.85Å; F17-N21 PolarHBondContact O-ND2 2.87Å
18	L	75.1	Confident	71.4	Confident	106 Å²	106	103.9 Å²	103.9	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-65.5	-42.5	175	-73.7	168.1	0	0	0	111.1	L14 L15 F22	L14-L18 HydrophobicContact CG-CD1 4.24Å; L14-L18 WeakPolarHBondContact O-CB 3.34Å; L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 2.84Å; L15-L18 PolarHBondContact O-N 2.89Å; L18-F22 WeakPolarHBondContact O-CB 3.45Å; L18-F22 PolarHBondContact O-N 3.5Å
19	G	73.7	Confident	71.9	Confident	35 Å²	35	107.9 Å²	107.9	36%	0.361	54%	0.543	S	S	.	.	H	α-helix	trans	-63.2	-44.5	175	0	0	0	0	0	112.8	L15 L16 F22 C23	L15-G19 PolarHBondContact O-N 2.89Å; L16-G19 PolarHBondContact O-N 2.97Å; G19-F22 PolarHBondContact O-N 3.31Å; G19-C23 PolarHBondContact O-N 2.92Å
20	A	75.6	Confident	72.1	Confident	50 Å²	50	105.9 Å²	105.9	41%	0.413	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-42.6	177.5	0	0	0	0	0	112.2	L16 C23 I24	L16-A20 VanDerWaalsContact O-CB 3.27Å; L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 3.3Å; A20-C23 PolarHBondContact O-N 2.89Å; A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.4Å; A20-I24 PolarHBondContact O-N 3.36Å
21	N	75.2	Confident	72.2	Confident	86 Å²	86	103.7 Å²	103.7	46%	0.46	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-37.2	174.9	-80.6	-68.3	0	0	0	112	F17 I24 L25	F17-N21 WeakPolarHBondContact O-CB 3.27Å; F17-N21 PolarHBondContact O-N 2.85Å; F17-N21 PolarHBondContact O-ND2 2.87Å; N21-I24 PolarHBondContact O-N 2.87Å; N21-L25 WeakPolarHBondContact O-CB 3.33Å; N21-L25 VanDerWaalsContact O-CG 3.32Å; N21-L25 WeakPolarHBondContact O-CG 3.36Å; N21-L25 PolarHBondContact O-N 2.86Å
22	F	76.9	Confident	71.8	Confident	138 Å²	138	107.2 Å²	107.2	61%	0.605	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-41.4	174	-171.2	-107.9	0	0	0	111.5	L18 G19 L25 L26	L18-F22 WeakPolarHBondContact O-CB 3.45Å; L18-F22 PolarHBondContact O-N 3.5Å; G19-F22 PolarHBondContact O-N 3.31Å; F22-L25 PolarHBondContact O-N 3.25Å; F22-L26 HydrophobicContact CD1-CD1 3.51Å; F22-L26 HydrophobicContact CE1-CD1 3.23Å; F22-L26 HydrophobicContact CE1-CG 4.32Å; F22-L26 HydrophobicContact CG-CD1 4.32Å; F22-L26 HydrophobicContact CZ-CD1 3.82Å; F22-L26 WeakPolarHBondContact O-CB 3.32Å; F22-L26 PolarHBondContact O-N 3.43Å
23	C	78	Confident	71.2	Confident	73 Å²	73	104.8 Å²	104.8	49%	0.493	55%	0.548	S	S	.	.	H	α-helix	trans	-63.6	-42.3	172.5	-81.3	0	0	0	0	112.5	G19 A20 L26 L27	G19-C23 PolarHBondContact O-N 2.92Å; A20-C23 PolarHBondContact O-N 2.89Å; C23-L26 PolarHBondContact O-N 2.81Å; C23-L27 WeakPolarHBondContact O-CB 3.22Å; C23-L27 VanDerWaalsContact O-CG 3.25Å; C23-L27 WeakPolarHBondContact O-CG 3.37Å; C23-L27 PolarHBondContact O-N 2.82Å
24	I	77.2	Confident	70.2	Confident	80 Å²	80	107.2 Å²	107.2	41%	0.41	56%	0.561	S	S	.	*	H	α-helix	trans	-63.9	-43.8	176.6	-69.8	165.2	0	0	0	110.4	A20 N21 L26 L27 F28	A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.4Å; A20-I24 PolarHBondContact O-N 3.36Å; N21-I24 PolarHBondContact O-N 2.87Å; I24-L26 VanDerWaalsContact C-N 3.35Å; I24-L26 PolarHBondContact O-N 3.48Å; I24-L27 PolarHBondContact O-N 2.8Å; I24-F28 HydrophobicContact CG2-CD2 3.59Å; I24-F28 HydrophobicContact CG2-CE2 3.61Å; I24-F28 VanDerWaalsContact O-CD2 3.25Å; I24-F28 WeakPolarHBondContact O-CD2 3.15Å; I24-F28 PolarHBondContact O-N 3.32Å
25	L	73.8	Confident	68.8	Low	112 Å²	112	109.3 Å²	109.3	59%	0.586	57%	0.568	S	S	*	*	H	α-helix	trans	-65.4	-36.2	175.8	-73.4	169.5	0	0	0	112.6	N21 F22 F28 R29	N21-L25 WeakPolarHBondContact O-CB 3.33Å; N21-L25 VanDerWaalsContact O-CG 3.32Å; N21-L25 WeakPolarHBondContact O-CG 3.36Å; N21-L25 PolarHBondContact O-N 2.86Å; F22-L25 PolarHBondContact O-N 3.25Å; L25-F28 PolarHBondContact O-N 2.87Å; L25-R29 PolarHBondContact O-N 3.28Å
26	L	75.1	Confident	67.5	Low	72 Å²	72	108.1 Å²	108.1	38%	0.377	57%	0.569	S	S	.	*	H	α-helix	trans	-65.7	-43.2	171.6	-93.5	156.8	0	0	0	111.5	F22 C23 I24 F28 R29 L30	F22-L26 HydrophobicContact CD1-CD1 3.51Å; F22-L26 HydrophobicContact CE1-CD1 3.23Å; F22-L26 HydrophobicContact CE1-CG 4.32Å; F22-L26 HydrophobicContact CG-CD1 4.32Å; F22-L26 HydrophobicContact CZ-CD1 3.82Å; F22-L26 WeakPolarHBondContact O-CB 3.32Å; F22-L26 PolarHBondContact O-N 3.43Å; C23-L26 PolarHBondContact O-N 2.81Å; I24-L26 VanDerWaalsContact C-N 3.35Å; I24-L26 PolarHBondContact O-N 3.48Å; L26-F28 VanDerWaalsContact C-N 3.35Å; L26-R29 PolarHBondContact O-N 3.5Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 VanDerWaalsContact O-CG 3.22Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.32Å
27	L	74.9	Confident	66	Low	116 Å²	116	107.9 Å²	107.9	61%	0.607	58%	0.575	S	S	*	*	H	α-helix	trans	-65.2	-38.2	175.7	-71.9	170.7	0	0	0	111.5	C23 I24 A31	C23-L27 WeakPolarHBondContact O-CB 3.22Å; C23-L27 VanDerWaalsContact O-CG 3.25Å; C23-L27 WeakPolarHBondContact O-CG 3.37Å; C23-L27 PolarHBondContact O-N 2.82Å; I24-L27 PolarHBondContact O-N 2.8Å; L27-A31 WeakPolarHBondContact O-CB 3.28Å; L27-A31 PolarHBondContact O-N 3.12Å
28	F	68.2	Low	64.4	Low	145 Å²	145	110.5 Å²	110.5	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-67	-39.2	172.5	-88.7	-70.6	0	0	0	112.4	I24 L25 L26 H32	I24-F28 HydrophobicContact CG2-CD2 3.59Å; I24-F28 HydrophobicContact CG2-CE2 3.61Å; I24-F28 VanDerWaalsContact O-CD2 3.25Å; I24-F28 WeakPolarHBondContact O-CD2 3.15Å; I24-F28 PolarHBondContact O-N 3.32Å; L25-F28 PolarHBondContact O-N 2.87Å; L26-F28 VanDerWaalsContact C-N 3.35Å; F28-H32 VanDerWaalsContact O-CB 3.28Å; F28-H32 WeakPolarHBondContact O-CB 3.25Å; F28-H32 PolarHBondContact O-N 3.44Å
29	R	67.6	Low	62.5	Low	185 Å²	185	111 Å²	111	70%	0.698	60%	0.595	S	S	*	*	H	α-helix	trans	-65.1	-46.4	173.1	-81.5	-164.6	-171.5	-162.9	3.6	111.8	L25 L26 A31 H32 D33	L25-R29 PolarHBondContact O-N 3.28Å; L26-R29 PolarHBondContact O-N 3.5Å; R29-A31 VanDerWaalsContact C-N 3.31Å; R29-A31 PolarHBondContact O-N 2.82Å; R29-H32 PolarHBondContact O-N 2.8Å; R29-H32 VanDerWaalsContact O-N 3.12Å; R29-D33 WeakPolarHBondContact O-CB 3.39Å; R29-D33 PolarHBondContact O-N 2.95Å
30	L	66.6	Low	60.7	Low	112 Å²	112	121.1 Å²	121.1	59%	0.586	62%	0.623	S	S	*	*	H	α-helix	trans	-64	-37.2	177.6	-69.1	173.8	0	0	0	111.8	L26 H32	L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 VanDerWaalsContact O-CG 3.22Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.32Å; L30-H32 VanDerWaalsContact C-N 3.32Å
31	A	64.4	Low	58.8	Low	72 Å²	72	123.7 Å²	123.7	60%	0.595	64%	0.638	S	S	*	*	H	α-helix	trans	-70.2	-28	174.4	0	0	0	0	0	112.8	L27 R29	L27-A31 WeakPolarHBondContact O-CB 3.28Å; L27-A31 PolarHBondContact O-N 3.12Å; R29-A31 VanDerWaalsContact C-N 3.31Å; R29-A31 PolarHBondContact O-N 2.82Å
32	H	58.5	Low	57.1	Low	133 Å²	133	126.9 Å²	126.9	62%	0.616	65%	0.648	S	S	*	*	H	α-helix	trans	-88.2	-29.3	179	-155.2	-19.1	0	0	0	112.9	F28 R29 L30 D34 E35	F28-H32 VanDerWaalsContact O-CB 3.28Å; F28-H32 WeakPolarHBondContact O-CB 3.25Å; F28-H32 PolarHBondContact O-N 3.44Å; R29-H32 PolarHBondContact O-N 2.8Å; R29-H32 VanDerWaalsContact O-N 3.12Å; L30-H32 VanDerWaalsContact C-N 3.32Å; H32-D34 PolarHBondContact O-N 3.18Å; H32-E35 PolarHBondContact O-N 3.37Å
33	D	56.2	Low	55	Low	119 Å²	119	130.4 Å²	130.4	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-69.8	-19.8	177.2	-77.6	-21.9	0	0	0	112.3	R29 E35 S36	R29-D33 WeakPolarHBondContact O-CB 3.39Å; R29-D33 PolarHBondContact O-N 2.95Å; D33-E35 VanDerWaalsContact C-N 3.29Å; D33-S36 PolarHBondContact O-N 3.4Å
34	D	48.3	Very low	53.3	Low	149 Å²	149	133.5 Å²	133.5	80%	0.797	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-11.8	173.9	-132.9	5.3	0	0	0	113.1	H32 S36	H32-D34 PolarHBondContact O-N 3.18Å; D34-S36 VanDerWaalsContact C-N 3.35Å
35	E	41.6	Very low	51.6	Low	155 Å²	155	137 Å²	137	72%	0.724	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	47.8	164.5	-79.2	-166.3	155.5	0	0	111.1	H32 D33 P37	H32-E35 PolarHBondContact O-N 3.37Å; D33-E35 VanDerWaalsContact C-N 3.29Å; E35-P37 WeakPolarHBondContact O-CD 3.35Å
36	S	44.1	Very low	49.9	Very low	87 Å²	87	134.3 Å²	134.3	61%	0.608	69%	0.686	S	S	*	*			trans	-58	121.8	153.1	66.8	0	0	0	0	107.4	D33 D34 K38	D33-S36 PolarHBondContact O-N 3.4Å; D34-S36 VanDerWaalsContact C-N 3.35Å; S36-K38 PolarHBondContact O-N 2.9Å
37	P	42.5	Very low	48.3	Very low	117 Å²	117	142.5 Å²	142.5	76%	0.76	71%	0.712	S	S	*	*			trans	-59.6	115.4	179.7	14.8	-20.6	0	0	0	106.7	E35	E35-P37 WeakPolarHBondContact O-CD 3.35Å
38	K	38.6	Very low	46.7	Very low	179 Å²	179	145.6 Å²	145.6	78%	0.778	72%	0.724	S	S	*	*			trans	-42.8	124.5	170.9	-78.6	179.8	178.6	173.6	0	106.1	S36 W40	S36-K38 PolarHBondContact O-N 2.9Å; K38-W40 PolarHBondContact O-N 2.82Å
39	P	36.1	Very low	45.7	Very low	116 Å²	116	143.1 Å²	143.1	75%	0.753	72%	0.724	S	S	*	*			trans	-55	114.4	171.1	-13.2	23.8	0	0	0	104.1	S41	P39-S41 PolarHBondContact O-N 2.69Å
40	W	35.1	Very low	44.6	Very low	247 Å²	247	136.2 Å²	136.2	94%	0.936	71%	0.706	S	S	*	*			trans	-61.9	90.7	162.4	-76.7	63.9	0	0	0	102.9	K38 F42	K38-W40 PolarHBondContact O-N 2.82Å; W40-F42 PolarHBondContact O-N 2.72Å
41	S	36.8	Very low	43.6	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	70%	0.696	S	S	*	*			trans	-63.6	101	171.6	52.7	0	0	0	0	103	P39 R43	P39-S41 PolarHBondContact O-N 2.69Å; S41-R43 PolarHBondContact O-N 2.8Å
42	F	38.4	Very low	42.9	Very low	154 Å²	154	135.1 Å²	135.1	68%	0.675	70%	0.701	S	S	*	*			trans	-64	82.8	160.3	-155.1	-90.5	0	0	0	103.6	W40 L44	W40-F42 PolarHBondContact O-N 2.72Å; F42-L44 HydrophobicContact CD1-CD2 4.3Å; F42-L44 HydrophobicContact CD1-CG 3.99Å; F42-L44 HydrophobicContact CE1-CD2 3.98Å; F42-L44 HydrophobicContact CE1-CG 4.17Å; F42-L44 PolarHBondContact O-N 2.67Å
43	R	33.1	Very low	42.6	Very low	212 Å²	212	133.1 Å²	133.1	80%	0.8	70%	0.702	S	S	*	*			trans	-57.8	99.5	149.7	-163.3	-179.2	-78.8	-151	-0.7	100.4	S41 L45	S41-R43 PolarHBondContact O-N 2.8Å; R43-L45 PolarHBondContact O-N 2.76Å
44	L	42.1	Very low	42.3	Very low	138 Å²	138	134 Å²	134	72%	0.723	70%	0.703	S	S	*	*			trans	-44.1	98.3	155.6	-87	153.8	0	0	0	101.9	F42 G46	F42-L44 HydrophobicContact CD1-CD2 4.3Å; F42-L44 HydrophobicContact CD1-CG 3.99Å; F42-L44 HydrophobicContact CE1-CD2 3.98Å; F42-L44 HydrophobicContact CE1-CG 4.17Å; F42-L44 PolarHBondContact O-N 2.67Å; L44-G46 PolarHBondContact O-N 2.84Å
45	L	42.2	Very low	42.4	Very low	153 Å²	153	135.2 Å²	135.2	80%	0.801	70%	0.696	S	S	*	*			trans	-52.9	108.7	163	-78.6	169.9	0	0	0	99.9	R43 R47	R43-L45 PolarHBondContact O-N 2.76Å; L45-R47 PolarHBondContact O-N 3.25Å; L45-R47 VanDerWaalsContact O-N 3.1Å
46	G	37.4	Very low	43	Very low	56 Å²	56	132.5 Å²	132.5	58%	0.577	69%	0.694	S	S	*	*			trans	-43.7	131.7	177.8	0	0	0	0	0	104	L44 E48	L44-G46 PolarHBondContact O-N 2.84Å; G46-E48 PolarHBondContact O-N 3.08Å
47	R	41	Very low	43.8	Very low	244 Å²	244	135 Å²	135	92%	0.921	70%	0.7	S	S	*	*			trans	-60.1	76	167.7	-176.2	-175.6	-175	-172.2	3.1	105.5	L45 S49	L45-R47 PolarHBondContact O-N 3.25Å; L45-R47 VanDerWaalsContact O-N 3.1Å; R47-S49 VanDerWaalsContact C-N 3.25Å; R47-S49 PolarHBondContact O-N 3.35Å
48	E	42.3	Very low	45.1	Very low	181 Å²	181	133.6 Å²	133.6	85%	0.846	68%	0.682	S	S	*	*			trans	-56.3	107	159.3	-81.7	-177.7	167	0	0	101.4	G46 A50	G46-E48 PolarHBondContact O-N 3.08Å; E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 2.58Å
49	S	46	Very low	47.4	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	68%	0.684	S	S	*	*			trans	-53.5	105.3	172.1	49.2	0	0	0	0	105.6	R47 S51	R47-S49 VanDerWaalsContact C-N 3.25Å; R47-S49 PolarHBondContact O-N 3.35Å; S49-S51 PolarHBondContact O-N 3Å
50	A	46.3	Very low	50.2	Low	39 Å²	39	130.6 Å²	130.6	32%	0.322	66%	0.658	S	S	.	*			trans	-39.9	128.1	174.1	0	0	0	0	0	108.6	E48 E54 R55	E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 2.58Å; A50-E54 HydrophobicContact CB-CB 4.24Å; A50-R55 PolarHBondContact O-NH2 3.1Å
51	S	44.4	Very low	53.2	Low	52 Å²	52	119.6 Å²	119.6	36%	0.364	62%	0.617	S	S	.	*			trans	-53.1	149	179.8	59.7	0	0	0	0	108.9	S49 S53 E54	S49-S51 PolarHBondContact O-N 3Å; S51-S53 PolarHBondContact O-N 2.94Å; S51-S53 PolarHBondContact OG-OG 3.08Å; S51-E54 PolarHBondContact O-N 3.36Å
52	P	50.9	Low	56.2	Low	110 Å²	110	114.7 Å²	114.7	71%	0.714	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.9	-25.2	-178.8	-28.3	35	0	0	0	114.3
53	S	51.9	Low	59.1	Low	91 Å²	91	107.3 Å²	107.3	64%	0.636	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-33.7	176.3	54	0	0	0	0	114.8	S51	S51-S53 PolarHBondContact O-N 2.94Å; S51-S53 PolarHBondContact OG-OG 3.08Å
54	E	49.6	Very low	62.2	Low	138 Å²	138	97.2 Å²	97.2	65%	0.645	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-79	-26.2	-180	-73.3	-177.9	157.6	0	0	112.6	A50 S51 S56	A50-E54 HydrophobicContact CB-CB 4.24Å; S51-E54 PolarHBondContact O-N 3.36Å; E54-S56 PolarHBondContact O-N 3.28Å; E54-S56 VanDerWaalsContact O-N 3.08Å
55	R	49.6	Very low	64.9	Low	173 Å²	173	90.7 Å²	90.7	65%	0.653	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-65.2	-7.4	175.7	-100.8	178.4	-85.3	-161.2	-6.3	114.2	A50	A50-R55 PolarHBondContact O-NH2 3.1Å
56	S	54.2	Low	67.6	Low	99 Å²	99	83.4 Å²	83.4	69%	0.692	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-112.2	-8.4	-167.6	-175	0	0	0	0	115.9	E54	E54-S56 PolarHBondContact O-N 3.28Å; E54-S56 VanDerWaalsContact O-N 3.08Å
57	L	60.5	Low	70.5	Confident	139 Å²	139	81.2 Å²	81.2	73%	0.728	42%	0.415	S	S	*	.	S	Bend	trans	-78.3	-32.7	-175.6	-158.2	76.7	0	0	0	112.8
58	F	70	Confident	73.3	Confident	88 Å²	88	70.4 Å²	70.4	39%	0.386	38%	0.375	S	S	.	.			trans	-123	113.8	-178.4	-59.3	-76.6	0	0	0	110.3	N90	F58-N90 WeakPolarHBondContact CE1-O 3.44Å
59	K	87.3	Confident	75.9	Confident	185 Å²	185	63.7 Å²	63.7	80%	0.804	34%	0.342	S	S	*	.			trans	-73.2	-25.7	-173.8	-176	179.5	173.9	-169.5	0	113.9
60	H	96	Very high	78.3	Confident	47 Å²	47	64.6 Å²	64.6	22%	0.218	34%	0.339	C	S	.	.			trans	-119.8	145.8	-168.1	-62.7	-67.7	0	0	0	111.6	D126 Y127 F146	H60-D126 IonicContact CE1-OD2 3.98Å; H60-D126 IonicContact CG-OD2 3.87Å; H60-D126 IonicContact ND1-OD2 3.23Å; H60-D126 PolarHBondContact ND1-OD2 3.13Å; H60-Y127 HydrophobicContact CB-CD1 4.3Å; H60-Y127 HydrophobicContact CB-CE1 3.79Å; H60-F146 HydrophobicContact CB-CB 4.17Å; H60-F146 HydrophobicContact CB-CD2 4.1Å; H60-F146 HydrophobicContact CB-CG 4.45Å; H60-F146 AromaticContact CD2-CG 3.8Å; H60-F146 AromaticContact CE1-CD1 3.83Å; H60-F146 AromaticContact CE1-CD2 3.53Å; H60-F146 AromaticContact CE1-CE1 3.93Å; H60-F146 AromaticContact CE1-CE2 3.62Å; H60-F146 AromaticContact CE1-CG 3.63Å; H60-F146 AromaticContact CE1-CZ 3.81Å; H60-F146 AromaticContact CG-CD2 3.56Å; H60-F146 AromaticContact CG-CG 3.73Å; H60-F146 AromaticContact ND1-CD2 3.19Å; H60-F146 WeakPolarHBondContact ND1-CD2 3.34Å; H60-F146 AromaticContact ND1-CE2 3.46Å; H60-F146 WeakPolarHBondContact ND1-CE2 3.41Å; H60-F146 AromaticContact ND1-CG 3.64Å; H60-F146 AromaticContact NE2-CD1 3.92Å; H60-F146 AromaticContact NE2-CG 3.78Å
61	H	97.8	Very high	80.7	Confident	15 Å²	15	65.7 Å²	65.7	7%	0.069	34%	0.335	C	S	.	.			trans	-121.6	112.2	178.1	179.7	-172.1	0	0	0	109.5	K93 S95 E123 C125 D126 Y127	H61-K93 WeakPolarHBondContact CA-O 3.12Å; H61-K93 PolarHBondContact CD2-O 3.44Å; H61-K93 WeakPolarHBondContact CE1-CE 3.43Å; H61-K93 PolarHBondContact CE1-NZ 2.75Å; H61-K93 PolarHBondContact ND1-NZ 2.84Å; H61-K93 VanDerWaalsContact ND1-NZ 3.12Å; H61-S95 PolarHBondContact NE2-OG 2.79Å; H61-E123 PolarHBondContact CE1-O 3.22Å; H61-E123 IonicContact CE1-OE1 3.44Å; H61-E123 PolarHBondContact ND1-O 3.31Å; H61-E123 IonicContact NE2-OE1 3.69Å; H61-C125 VanDerWaalsContact CD2-SG 3.5Å; H61-C125 VanDerWaalsContact CE1-SG 3.56Å; H61-C125 PolarHBondContact NE2-SG 3.47Å; H61-C125 WeakPolarHBondContact O-CA 3.17Å; H61-C125 VanDerWaalsContact O-CB 3.23Å; H61-C125 WeakPolarHBondContact O-CB 3.25Å; H61-D126 PolarHBondContact N-OD1 3.47Å; H61-D126 PolarHBondContact O-N 2.77Å; H61-D126 VanDerWaalsContact O-N 3.17Å; H61-D126 VanDerWaalsContact O-OD1 3.06Å; H61-Y127 WeakPolarHBondContact O-CD1 3.45Å
62	L	98.6	Very high	83.2	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.6	179.3	174.8	63	0	0	0	111.9	V64 L86 K93 F94 S95 Y127 A129 Y144	L62-V64 HydrophobicContact CD2-CG2 4.09Å; L62-V64 HydrophobicContact CG-CG2 4.29Å; L62-L86 HydrophobicContact CD2-CD1 4.05Å; L62-L86 HydrophobicContact CD2-CD2 3.93Å; L62-K93 PolarHBondContact N-O 3.3Å; L62-K93 VanDerWaalsContact N-O 3.1Å; L62-F94 HydrophobicContact CB-CB 3.89Å; L62-F94 HydrophobicContact CD2-CB 4.23Å; L62-F94 HydrophobicContact CG-CB 4.3Å; L62-F94 CarbonylContact O-C 3.4Å; L62-F94 WeakPolarHBondContact O-CA 3.38Å; L62-S95 PolarHBondContact O-N 2.84Å; L62-Y127 VanDerWaalsContact CA-CE1 3.47Å; L62-Y127 HydrophobicContact CB-CD1 4.47Å; L62-Y127 HydrophobicContact CB-CE1 3.7Å; L62-Y127 HydrophobicContact CB-CE2 4.19Å; L62-Y127 HydrophobicContact CD1-CD2 3.89Å; L62-Y127 HydrophobicContact CD1-CE1 4.41Å; L62-Y127 HydrophobicContact CD1-CE2 3.57Å; L62-Y127 HydrophobicContact CD1-CG 4.46Å; L62-Y127 HydrophobicContact CG-CE2 4.37Å; L62-A129 HydrophobicContact CD1-CB 4.25Å; L62-Y144 HydrophobicContact CD2-CD1 4.23Å
63	C	98.9	Very high	85.4	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.9	159.8	-83.8	0	0	0	0	110.8	S95 I97 S120 C125 Y127 F128 A129	C63-S95 CarbonylContact C-O 3.44Å; C63-S95 WeakPolarHBondContact CA-O 3.45Å; C63-I97 HydrophobicContact CB-CD1 4.22Å; C63-S120 VanDerWaalsContact CB-OG 3.24Å; C63-S120 WeakPolarHBondContact CB-OG 3.48Å; C63-C125 VanDerWaalsContact CA-SG 3.55Å; C63-C125 HydrophobicContact CB-CB 3.72Å; C63-C125 WeakPolarHBondContact CB-SG 3.45Å; C63-C125 PolarHBondContact N-SG 3.04Å; C63-C125 WeakPolarHBondContact SG-CB 3.28Å; C63-C125 CovalentContact SG-SG 2.04Å; C63-C125 PolarHBondContact SG-SG 3.26Å; C63-Y127 PolarHBondContact N-O 3.44Å; C63-F128 HydrophobicContact CB-CB 3.97Å; C63-F128 CarbonylContact O-C 3.58Å; C63-F128 WeakPolarHBondContact O-CA 3.46Å; C63-F128 WeakPolarHBondContact O-CB 3.49Å; C63-A129 PolarHBondContact O-N 3.22Å
64	V	98.9	Very high	87.6	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.3	167.6	-177	0	0	0	0	108.4	L62 V66 F78 I82 L86 S95 V96 I97 A129 H131	L62-V64 HydrophobicContact CD2-CG2 4.09Å; L62-V64 HydrophobicContact CG-CG2 4.29Å; V64-V66 HydrophobicContact CG1-CG2 4.15Å; V64-F78 HydrophobicContact CG1-CZ 4.09Å; V64-I82 HydrophobicContact CG2-CG1 4.46Å; V64-L86 HydrophobicContact CG2-CD1 3.69Å; V64-S95 PolarHBondContact N-O 2.86Å; V64-V96 HydrophobicContact CB-CG2 4.35Å; V64-I97 PolarHBondContact O-N 2.87Å; V64-A129 HydrophobicContact CG2-CB 4.45Å; V64-H131 HydrophobicContact CG1-CB 3.86Å
65	V	99	Very high	90	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120	-178.7	175.4	0	0	0	0	109.8	P67 I97 V99 I113 S120 F128 A129 H131	V65-P67 WeakPolarHBondContact O-CD 3.49Å; V65-I97 CarbonylContact C-O 3.54Å; V65-I97 WeakPolarHBondContact CA-O 3.31Å; V65-V99 HydrophobicContact CG1-CG2 4.06Å; V65-I113 HydrophobicContact CB-CD1 4.44Å; V65-I113 HydrophobicContact CG1-CD1 3.83Å; V65-S120 WeakPolarHBondContact CG2-OG 3.37Å; V65-F128 HydrophobicContact CB-CD2 4Å; V65-F128 HydrophobicContact CG2-CB 4.24Å; V65-F128 HydrophobicContact CG2-CD2 3.64Å; V65-F128 HydrophobicContact CG2-CE2 4.41Å; V65-F128 HydrophobicContact CG2-CG 4.32Å; V65-A129 PolarHBondContact N-O 3.4Å; V65-H131 PolarHBondContact O-N 3.36Å
66	V	98.9	Very high	92.3	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	101.9	-177.3	-172.3	0	0	0	0	110.2	V64 F68 F78 I97 V98 V99 H131 V133	V64-V66 HydrophobicContact CG1-CG2 4.15Å; V66-F68 PolarHBondContact O-N 3.18Å; V66-F78 HydrophobicContact CG2-CD1 4.42Å; V66-F78 HydrophobicContact CG2-CE1 3.49Å; V66-F78 VanDerWaalsContact CG2-CE1 3.49Å; V66-F78 HydrophobicContact CG2-CZ 3.62Å; V66-I97 PolarHBondContact N-O 2.61Å; V66-V98 HydrophobicContact CB-CG2 4.34Å; V66-V99 PolarHBondContact O-N 3.39Å; V66-H131 HydrophobicContact CG2-CB 4.36Å; V66-V133 HydrophobicContact CG1-CB 3.65Å; V66-V133 HydrophobicContact CG1-CG2 4.04Å
67	P	98.9	Very high	94.4	Very high	10 Å²	10	51 Å²	51	7%	0.065	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	126	167.6	-25.3	37.3	0	0	0	110.3	V65 F107 R109 L112 I113	V65-P67 WeakPolarHBondContact O-CD 3.49Å; P67-F107 HydrophobicContact CB-CZ 3.82Å; P67-R109 HydrophobicContact CB-CG 4.02Å; P67-R109 HydrophobicContact CG-CG 3.92Å; P67-L112 HydrophobicContact CB-CB 3.88Å; P67-L112 HydrophobicContact CB-CD1 3.97Å; P67-L112 HydrophobicContact CG-CB 4.34Å; P67-I113 HydrophobicContact CG-CD1 3.29Å; P67-I113 HydrophobicContact CG-CG1 3.56Å
68	F	98.7	Very high	96.2	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.1	-167.3	-175.3	-94.3	0	0	0	113.1	V66 R71 L75 V98 V99 N100 Q101	V66-F68 PolarHBondContact O-N 3.18Å; F68-R71 HydrophobicContact CD2-CB 4Å; F68-R71 VanDerWaalsContact CE2-C 3.48Å; F68-R71 HydrophobicContact CE2-CB 3.51Å; F68-R71 VanDerWaalsContact CE2-O 3.31Å; F68-R71 WeakPolarHBondContact CE2-O 3.3Å; F68-R71 HydrophobicContact CZ-CB 4.22Å; F68-L75 HydrophobicContact CD2-CD1 4.5Å; F68-L75 HydrophobicContact CE2-CB 3.8Å; F68-L75 HydrophobicContact CE2-CD1 4.4Å; F68-L75 HydrophobicContact CE2-CD2 3.93Å; F68-L75 HydrophobicContact CE2-CG 4.26Å; F68-L75 HydrophobicContact CZ-CB 4.35Å; F68-L75 HydrophobicContact CZ-CD2 3.99Å; F68-V98 HydrophobicContact CB-CG1 3.45Å; F68-V98 VanDerWaalsContact CB-CG1 3.45Å; F68-V98 HydrophobicContact CD1-CG1 4.12Å; F68-V98 HydrophobicContact CD2-CG1 4.09Å; F68-V98 HydrophobicContact CG-CG1 3.63Å; F68-V99 PolarHBondContact N-O 2.94Å; F68-N100 HydrophobicContact CD1-CB 3.98Å; F68-N100 WeakPolarHBondContact CD1-OD1 3.19Å; F68-N100 WeakPolarHBondContact O-CA 3.27Å; F68-N100 PolarHBondContact O-OD1 3.02Å; F68-Q101 PolarHBondContact O-N 2.78Å
69	R	97.8	Very high	97.6	Very high	41 Å²	41	40.1 Å²	40.1	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	-164.8	122.7	162.6	-174.2	172.5	67.4	178.7	8.4	110.6	R71 F105 F107	R69-R71 VanDerWaalsContact C-N 3.33Å; R69-R71 WeakPolarHBondContact O-CG 3.49Å; R69-R71 PolarHBondContact O-N 2.91Å; R69-F105 PolarHBondContact NH1-O 3.29Å; R69-F107 HydrophobicContact CB-CD2 3.94Å; R69-F107 HydrophobicContact CB-CE2 3.94Å
70	N	96.1	Very high	98.2	Very high	111 Å²	111	32 Å²	32	59%	0.594	16%	0.16	S	C	*	.	S	Bend	trans	51.9	46.3	174.2	-58.1	-16.4	0	0	0	113.6	H234	N70-H234 PolarHBondContact O-CE1 2.94Å; N70-H234 VanDerWaalsContact O-CE1 3.25Å
71	R	97.1	Very high	98.3	Very high	62 Å²	62	32 Å²	32	23%	0.234	16%	0.159	C	C	.	.			trans	-127.1	37.7	179	-67.5	-77.2	-170.4	-89.8	2.2	111.3	F68 R69 N73 E74 L75 V133 H234	F68-R71 HydrophobicContact CD2-CB 4Å; F68-R71 VanDerWaalsContact CE2-C 3.48Å; F68-R71 HydrophobicContact CE2-CB 3.51Å; F68-R71 VanDerWaalsContact CE2-O 3.31Å; F68-R71 WeakPolarHBondContact CE2-O 3.3Å; F68-R71 HydrophobicContact CZ-CB 4.22Å; R69-R71 VanDerWaalsContact C-N 3.33Å; R69-R71 WeakPolarHBondContact O-CG 3.49Å; R69-R71 PolarHBondContact O-N 2.91Å; R71-N73 VanDerWaalsContact C-N 3.3Å; R71-N73 PolarHBondContact O-N 3.18Å; R71-E74 WeakPolarHBondContact CA-OE2 3.28Å; R71-E74 HydrophobicContact CB-CB 4.49Å; R71-E74 WeakPolarHBondContact CB-OE2 3.42Å; R71-E74 WeakPolarHBondContact CD-OE1 3.3Å; R71-E74 IonicContact NE-OE1 3.74Å; R71-E74 PolarHBondContact O-N 2.89Å; R71-L75 WeakPolarHBondContact O-CB 3.47Å; R71-L75 PolarHBondContact O-N 3Å; R71-V133 HydrophobicContact CB-CG1 3.82Å; R71-V133 HydrophobicContact CG-CG1 4.04Å; R71-H234 VanDerWaalsContact CZ-CB 3.48Å; R71-H234 PolarHBondContact NH1-ND1 2.94Å
72	F	96.9	Very high	98.4	Very high	124 Å²	124	31.2 Å²	31.2	54%	0.544	16%	0.156	S	C	.	.	H	α-helix	trans	-62.7	-38.5	-170.9	-178.8	-103.5	0	0	0	111.9	E74 L75 V76	F72-E74 VanDerWaalsContact C-N 3.31Å; F72-E74 PolarHBondContact O-N 3.49Å; F72-L75 PolarHBondContact O-N 3.09Å; F72-V76 HydrophobicContact CD1-CG2 3.99Å; F72-V76 HydrophobicContact CD2-CG2 4.34Å; F72-V76 HydrophobicContact CE1-CG2 3.55Å; F72-V76 HydrophobicContact CE2-CG2 3.94Å; F72-V76 HydrophobicContact CG-CG2 4.37Å; F72-V76 HydrophobicContact CZ-CG2 3.53Å; F72-V76 VanDerWaalsContact O-CG2 3.27Å; F72-V76 WeakPolarHBondContact O-CG2 3.43Å; F72-V76 PolarHBondContact O-N 2.93Å
73	N	97.4	Very high	98.4	Very high	107 Å²	107	32 Å²	32	57%	0.572	16%	0.16	S	C	*	.	H	α-helix	trans	-59.7	-43.3	177.1	-69.3	-11.8	0	0	0	111.5	R71	R71-N73 VanDerWaalsContact C-N 3.3Å; R71-N73 PolarHBondContact O-N 3.18Å
74	E	98.4	Very high	98.3	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-68.7	-41.9	175	-60	93	147.4	0	0	111.6	R71 F72 V76 V77 F78 V133 D134 I228 H234	R71-E74 WeakPolarHBondContact CA-OE2 3.28Å; R71-E74 HydrophobicContact CB-CB 4.49Å; R71-E74 WeakPolarHBondContact CB-OE2 3.42Å; R71-E74 WeakPolarHBondContact CD-OE1 3.3Å; R71-E74 IonicContact NE-OE1 3.74Å; R71-E74 PolarHBondContact O-N 2.89Å; F72-E74 VanDerWaalsContact C-N 3.31Å; F72-E74 PolarHBondContact O-N 3.49Å; E74-V76 VanDerWaalsContact C-N 3.27Å; E74-V76 PolarHBondContact O-N 2.88Å; E74-V77 PolarHBondContact O-N 3.2Å; E74-V77 VanDerWaalsContact O-N 3.08Å; E74-F78 WeakPolarHBondContact O-CB 3.15Å; E74-F78 PolarHBondContact O-N 2.84Å; E74-V133 HydrophobicContact CB-CG1 4.1Å; E74-V133 HydrophobicContact CB-CG2 4.11Å; E74-D134 HydrophobicContact CG-CB 4.2Å; E74-I228 HydrophobicContact CB-CD1 3.92Å; E74-I228 HydrophobicContact CB-CG1 4.49Å; E74-I228 HydrophobicContact CG-CD1 4.12Å; E74-I228 HydrophobicContact CG-CG1 4.27Å; E74-I228 WeakPolarHBondContact CG-O 3.2Å; E74-H234 IonicContact OE1-CD2 2.87Å; E74-H234 PolarHBondContact OE1-CD2 3.39Å; E74-H234 IonicContact OE1-CG 3.87Å; E74-H234 IonicContact OE1-NE2 3.39Å; E74-H234 PolarHBondContact OE1-NE2 3.35Å; E74-H234 IonicContact OE2-CD2 3.95Å; E74-H234 IonicContact OE2-NE2 3.62Å
75	L	98.5	Very high	98.3	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-39.6	179.2	-171.1	66	0	0	0	112.3	F68 R71 F72 V77 F78 V79 V98 V133 I272 F277	F68-L75 HydrophobicContact CD2-CD1 4.5Å; F68-L75 HydrophobicContact CE2-CB 3.8Å; F68-L75 HydrophobicContact CE2-CD1 4.4Å; F68-L75 HydrophobicContact CE2-CD2 3.93Å; F68-L75 HydrophobicContact CE2-CG 4.26Å; F68-L75 HydrophobicContact CZ-CB 4.35Å; F68-L75 HydrophobicContact CZ-CD2 3.99Å; R71-L75 WeakPolarHBondContact O-CB 3.47Å; R71-L75 PolarHBondContact O-N 3Å; F72-L75 PolarHBondContact O-N 3.09Å; L75-V77 PolarHBondContact O-N 2.9Å; L75-F78 HydrophobicContact CD1-CD1 4.32Å; L75-F78 PolarHBondContact O-N 2.89Å; L75-V79 HydrophobicContact CD1-CG2 3.71Å; L75-V79 HydrophobicContact CG-CG2 4.07Å; L75-V79 WeakPolarHBondContact O-CG2 3.37Å; L75-V79 PolarHBondContact O-N 2.82Å; L75-V98 HydrophobicContact CD1-CG1 4.35Å; L75-V98 HydrophobicContact CD1-CG2 3.83Å; L75-V133 HydrophobicContact CB-CG2 4.34Å; L75-V133 HydrophobicContact CD1-CG2 4.19Å; L75-I272 HydrophobicContact CD2-CD1 4.24Å; L75-I272 HydrophobicContact CG-CD1 3.95Å; L75-F277 HydrophobicContact CD2-CE2 4.26Å; L75-F277 HydrophobicContact CD2-CZ 4.13Å
76	V	98.5	Very high	98.3	Very high	53 Å²	53	40.4 Å²	40.4	32%	0.321	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-33.2	178.2	170.5	0	0	0	0	112.3	F72 E74 P80 I272	F72-V76 HydrophobicContact CD1-CG2 3.99Å; F72-V76 HydrophobicContact CD2-CG2 4.34Å; F72-V76 HydrophobicContact CE1-CG2 3.55Å; F72-V76 HydrophobicContact CE2-CG2 3.94Å; F72-V76 HydrophobicContact CG-CG2 4.37Å; F72-V76 HydrophobicContact CZ-CG2 3.53Å; F72-V76 VanDerWaalsContact O-CG2 3.27Å; F72-V76 WeakPolarHBondContact O-CG2 3.43Å; F72-V76 PolarHBondContact O-N 2.93Å; E74-V76 VanDerWaalsContact C-N 3.27Å; E74-V76 PolarHBondContact O-N 2.88Å; V76-P80 WeakPolarHBondContact O-CD 3.28Å; V76-P80 VanDerWaalsContact O-CG 3.3Å; V76-P80 WeakPolarHBondContact O-CG 3.36Å; V76-I272 HydrophobicContact CG1-CG2 4.28Å; V76-I272 HydrophobicContact CG2-CD1 4.38Å
77	V	98.7	Very high	98.2	Very high	57 Å²	57	45.6 Å²	45.6	35%	0.345	22%	0.219	S	C	.	.	H	α-helix	trans	-83.8	-41.9	175.1	-176.6	0	0	0	0	110.9	E74 L75 P80 H81 L136 I228	E74-V77 PolarHBondContact O-N 3.2Å; E74-V77 VanDerWaalsContact O-N 3.08Å; L75-V77 PolarHBondContact O-N 2.9Å; V77-P80 WeakPolarHBondContact O-CD 3.44Å; V77-P80 WeakPolarHBondContact O-CG 3.43Å; V77-H81 VanDerWaalsContact O-CB 3.25Å; V77-H81 WeakPolarHBondContact O-CB 3.49Å; V77-H81 PolarHBondContact O-N 2.81Å; V77-L136 HydrophobicContact CG1-CD1 3.75Å; V77-I228 HydrophobicContact CB-CD1 3.84Å; V77-I228 HydrophobicContact CG1-CD1 4.03Å; V77-I228 HydrophobicContact CG2-CD1 4.48Å
78	F	98.9	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-52.7	-174.9	172.7	-95.6	0	0	0	112.8	V64 V66 E74 L75 H81 I82 V96 H131 V133 L136	V64-F78 HydrophobicContact CG1-CZ 4.09Å; V66-F78 HydrophobicContact CG2-CD1 4.42Å; V66-F78 HydrophobicContact CG2-CE1 3.49Å; V66-F78 VanDerWaalsContact CG2-CE1 3.49Å; V66-F78 HydrophobicContact CG2-CZ 3.62Å; E74-F78 WeakPolarHBondContact O-CB 3.15Å; E74-F78 PolarHBondContact O-N 2.84Å; L75-F78 HydrophobicContact CD1-CD1 4.32Å; L75-F78 PolarHBondContact O-N 2.89Å; F78-H81 WeakPolarHBondContact O-CB 3.2Å; F78-H81 PolarHBondContact O-N 2.77Å; F78-H81 VanDerWaalsContact O-N 3.13Å; F78-I82 HydrophobicContact CD1-CG2 4.26Å; F78-I82 HydrophobicContact CE1-CB 4.32Å; F78-I82 HydrophobicContact CE1-CG2 3.71Å; F78-I82 HydrophobicContact CE2-CB 4.01Å; F78-I82 HydrophobicContact CE2-CG1 4.29Å; F78-I82 HydrophobicContact CE2-CG2 4.31Å; F78-I82 HydrophobicContact CZ-CB 3.89Å; F78-I82 HydrophobicContact CZ-CG1 4.04Å; F78-I82 HydrophobicContact CZ-CG2 3.76Å; F78-I82 WeakPolarHBondContact O-CG2 3.47Å; F78-I82 PolarHBondContact O-N 2.97Å; F78-V96 HydrophobicContact CE1-CG1 4.25Å; F78-H131 AromaticContact CE2-CE1 3.38Å; F78-H131 WeakPolarHBondContact CE2-CE1 3.11Å; F78-H131 AromaticContact CE2-ND1 3.52Å; F78-H131 AromaticContact CE2-NE2 3.76Å; F78-V133 HydrophobicContact CB-CG2 3.94Å; F78-V133 HydrophobicContact CD1-CG2 4.35Å; F78-V133 HydrophobicContact CG-CG2 4.03Å; F78-L136 HydrophobicContact CB-CD2 4.26Å; F78-L136 HydrophobicContact CD2-CD2 3.8Å
79	V	98.9	Very high	98	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-53.5	-173.3	169.1	0	0	0	0	112.7	L75 H81 I82 H83 I272 F275 F277	L75-V79 HydrophobicContact CD1-CG2 3.71Å; L75-V79 HydrophobicContact CG-CG2 4.07Å; L75-V79 WeakPolarHBondContact O-CG2 3.37Å; L75-V79 PolarHBondContact O-N 2.82Å; V79-H81 VanDerWaalsContact C-N 3.33Å; V79-H81 PolarHBondContact O-N 3.42Å; V79-I82 WeakPolarHBondContact O-CG2 3.4Å; V79-H83 PolarHBondContact O-N 2.99Å; V79-H83 PolarHBondContact O-ND1 3.26Å; V79-I272 HydrophobicContact CB-CB 4.23Å; V79-I272 HydrophobicContact CB-CD1 4.25Å; V79-I272 HydrophobicContact CG1-CB 4.11Å; V79-I272 HydrophobicContact CG2-CD1 4.05Å; V79-F275 HydrophobicContact CG1-CB 3.89Å; V79-F277 HydrophobicContact CG1-CD1 3.88Å; V79-F277 HydrophobicContact CG1-CE1 4.41Å; V79-F277 HydrophobicContact CG2-CD1 3.9Å; V79-F277 HydrophobicContact CG2-CE1 4.12Å; V79-F277 HydrophobicContact CG2-CG 4.27Å
80	P	98.8	Very high	97.8	Very high	14 Å²	14	52.5 Å²	52.5	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-33.6	176.9	25	-33.4	0	0	0	112.7	V76 V77 R84 F275	V76-P80 WeakPolarHBondContact O-CD 3.28Å; V76-P80 VanDerWaalsContact O-CG 3.3Å; V76-P80 WeakPolarHBondContact O-CG 3.36Å; V77-P80 WeakPolarHBondContact O-CD 3.44Å; V77-P80 WeakPolarHBondContact O-CG 3.43Å; P80-R84 WeakPolarHBondContact O-CD 3.49Å; P80-R84 VanDerWaalsContact O-CG 3.28Å; P80-R84 WeakPolarHBondContact O-CG 3.4Å; P80-R84 PolarHBondContact O-N 3.41Å; P80-F275 HydrophobicContact CB-CD2 3.66Å; P80-F275 HydrophobicContact CB-CE2 3.88Å
81	H	98.9	Very high	97.4	Very high	46 Å²	46	49.3 Å²	49.3	21%	0.213	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-53.6	178.4	-175.8	95.9	0	0	0	111.6	V77 F78 V79 H83 R84 F85 L136 P137	V77-H81 VanDerWaalsContact O-CB 3.25Å; V77-H81 WeakPolarHBondContact O-CB 3.49Å; V77-H81 PolarHBondContact O-N 2.81Å; F78-H81 WeakPolarHBondContact O-CB 3.2Å; F78-H81 PolarHBondContact O-N 2.77Å; F78-H81 VanDerWaalsContact O-N 3.13Å; V79-H81 VanDerWaalsContact C-N 3.33Å; V79-H81 PolarHBondContact O-N 3.42Å; H81-H83 VanDerWaalsContact C-N 3.34Å; H81-H83 PolarHBondContact O-N 3.27Å; H81-R84 PolarHBondContact O-N 3.31Å; H81-F85 WeakPolarHBondContact O-CB 3.31Å; H81-F85 PolarHBondContact O-N 3.39Å; H81-L136 HydrophobicContact CB-CD1 4.41Å; H81-L136 HydrophobicContact CB-CD2 4.33Å; H81-P137 PolarHBondContact CE1-O 3.02Å; H81-P137 PolarHBondContact NE2-O 3.44Å
82	I	98.8	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-36.9	-175.2	-164.4	60.4	0	0	0	111.7	V64 F78 V79 F85 L86 V96 P137 Y144	V64-I82 HydrophobicContact CG2-CG1 4.46Å; F78-I82 HydrophobicContact CD1-CG2 4.26Å; F78-I82 HydrophobicContact CE1-CB 4.32Å; F78-I82 HydrophobicContact CE1-CG2 3.71Å; F78-I82 HydrophobicContact CE2-CB 4.01Å; F78-I82 HydrophobicContact CE2-CG1 4.29Å; F78-I82 HydrophobicContact CE2-CG2 4.31Å; F78-I82 HydrophobicContact CZ-CB 3.89Å; F78-I82 HydrophobicContact CZ-CG1 4.04Å; F78-I82 HydrophobicContact CZ-CG2 3.76Å; F78-I82 WeakPolarHBondContact O-CG2 3.47Å; F78-I82 PolarHBondContact O-N 2.97Å; V79-I82 WeakPolarHBondContact O-CG2 3.4Å; I82-F85 PolarHBondContact O-N 3.41Å; I82-L86 HydrophobicContact CD1-CD1 4.42Å; I82-L86 HydrophobicContact CD1-CG 4.24Å; I82-L86 HydrophobicContact CG1-CD1 3.97Å; I82-L86 HydrophobicContact CG1-CG 4.21Å; I82-L86 WeakPolarHBondContact O-CB 3.17Å; I82-L86 VanDerWaalsContact O-CG 3.27Å; I82-L86 WeakPolarHBondContact O-CG 3.31Å; I82-L86 PolarHBondContact O-N 2.9Å; I82-V96 HydrophobicContact CG2-CG2 4.15Å; I82-P137 HydrophobicContact CD1-CG 4.31Å; I82-Y144 HydrophobicContact CD1-CE1 4.06Å
83	H	98.7	Very high	97	Very high	18 Å²	18	47.1 Å²	47.1	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-49.1	175.5	-80.6	80.6	0	0	0	111.6	V79 H81 F85 L86 L87 F94 V96 F275 Q276	V79-H83 PolarHBondContact O-N 2.99Å; V79-H83 PolarHBondContact O-ND1 3.26Å; H81-H83 VanDerWaalsContact C-N 3.34Å; H81-H83 PolarHBondContact O-N 3.27Å; H83-F85 VanDerWaalsContact C-N 3.3Å; H83-F85 PolarHBondContact O-N 2.94Å; H83-L86 PolarHBondContact O-N 3.16Å; H83-L87 VanDerWaalsContact O-CB 3.3Å; H83-L87 WeakPolarHBondContact O-CB 3.45Å; H83-L87 WeakPolarHBondContact O-CD1 3.44Å; H83-L87 WeakPolarHBondContact O-CG 3.27Å; H83-L87 PolarHBondContact O-N 2.87Å; H83-F94 HydrophobicContact CB-CZ 4.4Å; H83-F94 AromaticContact CD2-CE2 3.51Å; H83-F94 AromaticContact CD2-CZ 3.71Å; H83-F94 AromaticContact NE2-CE2 3.89Å; H83-V96 VanDerWaalsContact CE1-CG2 3.42Å; H83-V96 WeakPolarHBondContact CE1-CG2 3.21Å; H83-F275 HydrophobicContact CB-CB 4.24Å; H83-F275 HydrophobicContact CB-CD1 3.23Å; H83-F275 HydrophobicContact CB-CE1 3.63Å; H83-F275 HydrophobicContact CB-CG 3.81Å; H83-F275 HydrophobicContact CB-CZ 4.48Å; H83-F275 AromaticContact CD2-CD1 3.71Å; H83-F275 AromaticContact CG-CD1 3.48Å; H83-F275 VanDerWaalsContact CG-CD1 3.48Å; H83-F275 AromaticContact CG-CG 3.86Å; H83-Q276 PolarHBondContact CE1-O 2.74Å; H83-Q276 PolarHBondContact NE2-O 2.85Å
84	R	98.5	Very high	97	Very high	161 Å²	161	43.8 Å²	43.8	61%	0.608	23%	0.229	S	C	*	.	H	α-helix	trans	-61.6	-41.2	178.1	-70.8	171.2	-179.1	170.2	0.2	111.6	P80 H81 A88 F275	P80-R84 WeakPolarHBondContact O-CD 3.49Å; P80-R84 VanDerWaalsContact O-CG 3.28Å; P80-R84 WeakPolarHBondContact O-CG 3.4Å; P80-R84 PolarHBondContact O-N 3.41Å; H81-R84 PolarHBondContact O-N 3.31Å; R84-A88 WeakPolarHBondContact O-CB 3.41Å; R84-A88 PolarHBondContact O-N 2.84Å; R84-F275 HydrophobicContact CG-CE2 4.5Å; R84-F275 HydrophobicContact CG-CZ 3.88Å
85	F	98.7	Very high	97	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-50.6	177.7	-172.6	-89.7	0	0	0	111.6	H81 I82 H83 A88 Q89 P137 N139 L140 L142 Y144	H81-F85 WeakPolarHBondContact O-CB 3.31Å; H81-F85 PolarHBondContact O-N 3.39Å; I82-F85 PolarHBondContact O-N 3.41Å; H83-F85 VanDerWaalsContact C-N 3.3Å; H83-F85 PolarHBondContact O-N 2.94Å; F85-A88 WeakPolarHBondContact O-CB 3.36Å; F85-A88 PolarHBondContact O-N 3.43Å; F85-Q89 HydrophobicContact CD1-CG 4.43Å; F85-Q89 VanDerWaalsContact CE1-CD 3.44Å; F85-Q89 HydrophobicContact CE1-CG 4.13Å; F85-Q89 VanDerWaalsContact CE1-NE2 3.34Å; F85-Q89 WeakPolarHBondContact O-CG 3.46Å; F85-Q89 PolarHBondContact O-N 3.4Å; F85-Q89 VanDerWaalsContact O-N 3.16Å; F85-P137 HydrophobicContact CD1-CB 4.43Å; F85-P137 HydrophobicContact CD1-CG 3.77Å; F85-P137 HydrophobicContact CD2-CB 4.16Å; F85-P137 HydrophobicContact CD2-CG 3.88Å; F85-P137 WeakPolarHBondContact CD2-O 3.21Å; F85-P137 HydrophobicContact CE1-CB 4Å; F85-P137 HydrophobicContact CE1-CG 3.81Å; F85-P137 HydrophobicContact CE2-CB 3.71Å; F85-P137 HydrophobicContact CE2-CG 3.92Å; F85-P137 HydrophobicContact CG-CG 3.82Å; F85-P137 HydrophobicContact CZ-CB 3.63Å; F85-P137 HydrophobicContact CZ-CG 3.9Å; F85-N139 WeakPolarHBondContact CZ-O 3.35Å; F85-L140 HydrophobicContact CD2-CD2 3.86Å; F85-L140 HydrophobicContact CE2-CD2 3.79Å; F85-L140 HydrophobicContact CE2-CG 4.5Å; F85-L140 HydrophobicContact CG-CD2 4.49Å; F85-L140 HydrophobicContact CZ-CD2 4.35Å; F85-L142 HydrophobicContact CZ-CB 4.3Å; F85-Y144 HydrophobicContact CD1-CD2 4.35Å; F85-Y144 HydrophobicContact CD1-CE2 4.24Å; F85-Y144 AromaticContact CE1-CD2 3.78Å; F85-Y144 HydrophobicContact CE1-CD2 3.78Å; F85-Y144 AromaticContact CE1-CE2 3.72Å; F85-Y144 HydrophobicContact CE1-CE2 3.72Å
86	L	98.3	Very high	97	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-68.6	-37.4	-179.1	-66.8	176.7	0	0	0	113.1	L62 V64 I82 H83 A88 Q89 N90 L91 F94 Y144	L62-L86 HydrophobicContact CD2-CD1 4.05Å; L62-L86 HydrophobicContact CD2-CD2 3.93Å; V64-L86 HydrophobicContact CG2-CD1 3.69Å; I82-L86 HydrophobicContact CD1-CD1 4.42Å; I82-L86 HydrophobicContact CD1-CG 4.24Å; I82-L86 HydrophobicContact CG1-CD1 3.97Å; I82-L86 HydrophobicContact CG1-CG 4.21Å; I82-L86 WeakPolarHBondContact O-CB 3.17Å; I82-L86 VanDerWaalsContact O-CG 3.27Å; I82-L86 WeakPolarHBondContact O-CG 3.31Å; I82-L86 PolarHBondContact O-N 2.9Å; H83-L86 PolarHBondContact O-N 3.16Å; L86-A88 VanDerWaalsContact C-N 3.28Å; L86-A88 PolarHBondContact O-N 3.24Å; L86-Q89 PolarHBondContact O-N 3.13Å; L86-Q89 VanDerWaalsContact O-N 3.13Å; L86-N90 PolarHBondContact O-N 2.88Å; L86-L91 HydrophobicContact CD2-CD1 4.24Å; L86-F94 HydrophobicContact CB-CD1 3.96Å; L86-F94 HydrophobicContact CB-CD2 4.44Å; L86-F94 HydrophobicContact CB-CE1 3.78Å; L86-F94 HydrophobicContact CB-CE2 4.29Å; L86-F94 HydrophobicContact CB-CG 4.29Å; L86-F94 HydrophobicContact CB-CZ 3.96Å; L86-F94 HydrophobicContact CD1-CB 4.35Å; L86-F94 HydrophobicContact CD1-CD1 4.35Å; L86-F94 HydrophobicContact CD1-CD2 3.55Å; L86-F94 HydrophobicContact CD1-CE2 3.85Å; L86-F94 HydrophobicContact CD1-CG 3.83Å; L86-F94 HydrophobicContact CD1-CZ 4.37Å; L86-Y144 VanDerWaalsContact CD2-CB 3.47Å; L86-Y144 HydrophobicContact CD2-CD1 3.77Å; L86-Y144 HydrophobicContact CD2-CD2 4.14Å; L86-Y144 HydrophobicContact CD2-CE1 4.5Å; L86-Y144 HydrophobicContact CD2-CG 3.55Å
87	L	97.2	Very high	97.1	Very high	108 Å²	108	41.9 Å²	41.9	57%	0.565	22%	0.219	S	C	*	.	H	α-helix	trans	-60.4	-40	172.5	-72.6	168	0	0	0	111.1	H83 Q89 N90 F94 F275	H83-L87 VanDerWaalsContact O-CB 3.3Å; H83-L87 WeakPolarHBondContact O-CB 3.45Å; H83-L87 WeakPolarHBondContact O-CD1 3.44Å; H83-L87 WeakPolarHBondContact O-CG 3.27Å; H83-L87 PolarHBondContact O-N 2.87Å; L87-Q89 VanDerWaalsContact C-N 3.27Å; L87-Q89 PolarHBondContact O-N 3.42Å; L87-N90 PolarHBondContact O-N 3.37Å; L87-F94 HydrophobicContact CD2-CE1 3.98Å; L87-F94 HydrophobicContact CD2-CZ 4.43Å; L87-F94 HydrophobicContact CG-CE1 4.03Å; L87-F94 HydrophobicContact CG-CZ 4.15Å; L87-F275 HydrophobicContact CD1-CE1 4.33Å
88	A	98	Very high	97.1	Very high	62 Å²	62	39.1 Å²	39.1	51%	0.512	20%	0.203	S	C	.	.	H	α-helix	trans	-69.4	-21.7	176.3	0	0	0	0	0	113.6	R84 F85 L86 N90 L140	R84-A88 WeakPolarHBondContact O-CB 3.41Å; R84-A88 PolarHBondContact O-N 2.84Å; F85-A88 WeakPolarHBondContact O-CB 3.36Å; F85-A88 PolarHBondContact O-N 3.43Å; L86-A88 VanDerWaalsContact C-N 3.28Å; L86-A88 PolarHBondContact O-N 3.24Å; A88-N90 VanDerWaalsContact C-N 3.34Å; A88-L140 HydrophobicContact CB-CD1 4.46Å; A88-L140 HydrophobicContact CB-CD2 3.8Å
89	Q	96.1	Very high	97.1	Very high	31 Å²	31	39.1 Å²	39.1	15%	0.145	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.7	174.8	-69.1	-166.6	-41.7	0	0	113.9	F85 L86 L87 L91 L140 L142	F85-Q89 HydrophobicContact CD1-CG 4.43Å; F85-Q89 VanDerWaalsContact CE1-CD 3.44Å; F85-Q89 HydrophobicContact CE1-CG 4.13Å; F85-Q89 VanDerWaalsContact CE1-NE2 3.34Å; F85-Q89 WeakPolarHBondContact O-CG 3.46Å; F85-Q89 PolarHBondContact O-N 3.4Å; F85-Q89 VanDerWaalsContact O-N 3.16Å; L86-Q89 PolarHBondContact O-N 3.13Å; L86-Q89 VanDerWaalsContact O-N 3.13Å; L87-Q89 VanDerWaalsContact C-N 3.27Å; L87-Q89 PolarHBondContact O-N 3.42Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 HydrophobicContact CB-CD1 3.97Å; Q89-L91 HydrophobicContact CB-CD2 4.31Å; Q89-L91 HydrophobicContact CB-CG 3.71Å; Q89-L91 PolarHBondContact O-N 3.25Å; Q89-L140 PolarHBondContact NE2-O 3.24Å; Q89-L142 PolarHBondContact NE2-O 2.94Å
90	N	92.3	Very high	97.1	Very high	121 Å²	121	40.2 Å²	40.2	65%	0.647	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	41.1	177.9	-165.1	37.7	0	0	0	113.8	F58 L86 L87 A88 G92	F58-N90 WeakPolarHBondContact CE1-O 3.44Å; L86-N90 PolarHBondContact O-N 2.88Å; L87-N90 PolarHBondContact O-N 3.37Å; A88-N90 VanDerWaalsContact C-N 3.34Å; N90-G92 VanDerWaalsContact C-N 3.28Å; N90-G92 PolarHBondContact O-N 3.34Å
91	L	88.1	Confident	97.1	Very high	43 Å²	43	39.8 Å²	39.8	23%	0.225	21%	0.205	C	C	.	.			trans	-82	-2.3	-176.3	-61.6	175.8	0	0	0	114.1	L86 Q89 Y144	L86-L91 HydrophobicContact CD2-CD1 4.24Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 HydrophobicContact CB-CD1 3.97Å; Q89-L91 HydrophobicContact CB-CD2 4.31Å; Q89-L91 HydrophobicContact CB-CG 3.71Å; Q89-L91 PolarHBondContact O-N 3.25Å; L91-Y144 VanDerWaalsContact CD1-C 3.42Å
92	G	89.5	Confident	97	Very high	26 Å²	26	44 Å²	44	27%	0.268	22%	0.219	S	C	.	.			trans	87.8	-136.9	-173.4	0	0	0	0	0	113	N90	N90-G92 VanDerWaalsContact C-N 3.28Å; N90-G92 PolarHBondContact O-N 3.34Å
93	K	95.6	Very high	97	Very high	115 Å²	115	45 Å²	45	50%	0.5	22%	0.224	S	C	.	.			trans	-77	130.3	-173.5	-168.4	-175.3	174.5	-152.7	0	110.8	H61 L62	H61-K93 WeakPolarHBondContact CA-O 3.12Å; H61-K93 PolarHBondContact CD2-O 3.44Å; H61-K93 WeakPolarHBondContact CE1-CE 3.43Å; H61-K93 PolarHBondContact CE1-NZ 2.75Å; H61-K93 PolarHBondContact ND1-NZ 2.84Å; H61-K93 VanDerWaalsContact ND1-NZ 3.12Å; L62-K93 PolarHBondContact N-O 3.3Å; L62-K93 VanDerWaalsContact N-O 3.1Å
94	F	98.2	Very high	96.9	Very high	37 Å²	37	54.7 Å²	54.7	16%	0.162	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156.2	169.2	71.1	-90.4	0	0	0	111.7	L62 H83 L86 L87 V96	L62-F94 HydrophobicContact CB-CB 3.89Å; L62-F94 HydrophobicContact CD2-CB 4.23Å; L62-F94 HydrophobicContact CG-CB 4.3Å; L62-F94 CarbonylContact O-C 3.4Å; L62-F94 WeakPolarHBondContact O-CA 3.38Å; H83-F94 HydrophobicContact CB-CZ 4.4Å; H83-F94 AromaticContact CD2-CE2 3.51Å; H83-F94 AromaticContact CD2-CZ 3.71Å; H83-F94 AromaticContact NE2-CE2 3.89Å; L86-F94 HydrophobicContact CB-CD1 3.96Å; L86-F94 HydrophobicContact CB-CD2 4.44Å; L86-F94 HydrophobicContact CB-CE1 3.78Å; L86-F94 HydrophobicContact CB-CE2 4.29Å; L86-F94 HydrophobicContact CB-CG 4.29Å; L86-F94 HydrophobicContact CB-CZ 3.96Å; L86-F94 HydrophobicContact CD1-CB 4.35Å; L86-F94 HydrophobicContact CD1-CD1 4.35Å; L86-F94 HydrophobicContact CD1-CD2 3.55Å; L86-F94 HydrophobicContact CD1-CE2 3.85Å; L86-F94 HydrophobicContact CD1-CG 3.83Å; L86-F94 HydrophobicContact CD1-CZ 4.37Å; L87-F94 HydrophobicContact CD2-CE1 3.98Å; L87-F94 HydrophobicContact CD2-CZ 4.43Å; L87-F94 HydrophobicContact CG-CE1 4.03Å; L87-F94 HydrophobicContact CG-CZ 4.15Å; F94-V96 HydrophobicContact CD2-CG2 4.34Å; F94-V96 HydrophobicContact CE2-CG2 4.29Å
95	S	98.5	Very high	96.9	Very high	19 Å²	19	49.5 Å²	49.5	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.2	175	-56.5	0	0	0	0	109.8	H61 L62 C63 V64 E123	H61-S95 PolarHBondContact NE2-OG 2.79Å; L62-S95 PolarHBondContact O-N 2.84Å; C63-S95 CarbonylContact C-O 3.44Å; C63-S95 WeakPolarHBondContact CA-O 3.45Å; V64-S95 PolarHBondContact N-O 2.86Å; S95-E123 PolarHBondContact OG-OE1 3.36Å
96	V	98.9	Very high	96.8	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.9	174.8	-179.1	0	0	0	0	109.3	V64 F78 I82 H83 F94 F277 L278	V64-V96 HydrophobicContact CB-CG2 4.35Å; F78-V96 HydrophobicContact CE1-CG1 4.25Å; I82-V96 HydrophobicContact CG2-CG2 4.15Å; H83-V96 VanDerWaalsContact CE1-CG2 3.42Å; H83-V96 WeakPolarHBondContact CE1-CG2 3.21Å; F94-V96 HydrophobicContact CD2-CG2 4.34Å; F94-V96 HydrophobicContact CE2-CG2 4.29Å; V96-F277 HydrophobicContact CB-CB 3.87Å; V96-F277 HydrophobicContact CG1-CB 3.89Å; V96-F277 WeakPolarHBondContact O-CA 3.48Å; V96-F277 WeakPolarHBondContact O-CB 3.3Å; V96-L278 PolarHBondContact O-N 2.53Å
97	I	98.9	Very high	96.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.8	-178.5	-55.6	177	0	0	0	108.8	C63 V64 V65 V66 V99 E119 L278 V280	C63-I97 HydrophobicContact CB-CD1 4.22Å; V64-I97 PolarHBondContact O-N 2.87Å; V65-I97 CarbonylContact C-O 3.54Å; V65-I97 WeakPolarHBondContact CA-O 3.31Å; V66-I97 PolarHBondContact N-O 2.61Å; I97-V99 HydrophobicContact CG2-CG2 4.17Å; I97-E119 HydrophobicContact CD1-CB 4.05Å; I97-E119 HydrophobicContact CG2-CB 4.09Å; I97-L278 CarbonylContact C-O 3.58Å; I97-L278 WeakPolarHBondContact CA-O 3.23Å; I97-L278 HydrophobicContact CG1-CB 4.45Å; I97-V280 HydrophobicContact CG2-CG2 3.93Å
98	V	99	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.1	176.7	-178.9	0	0	0	0	108.4	V66 F68 L75 N100 F277 L278 L279 V280	V66-V98 HydrophobicContact CB-CG2 4.34Å; F68-V98 HydrophobicContact CB-CG1 3.45Å; F68-V98 VanDerWaalsContact CB-CG1 3.45Å; F68-V98 HydrophobicContact CD1-CG1 4.12Å; F68-V98 HydrophobicContact CD2-CG1 4.09Å; F68-V98 HydrophobicContact CG-CG1 3.63Å; L75-V98 HydrophobicContact CD1-CG1 4.35Å; L75-V98 HydrophobicContact CD1-CG2 3.83Å; V98-N100 PolarHBondContact O-N 2.9Å; V98-F277 HydrophobicContact CB-CD2 4.02Å; V98-F277 HydrophobicContact CB-CE2 4.23Å; V98-F277 HydrophobicContact CG2-CD2 3.44Å; V98-F277 VanDerWaalsContact CG2-CD2 3.44Å; V98-F277 HydrophobicContact CG2-CE2 3.86Å; V98-F277 HydrophobicContact CG2-CG 4.28Å; V98-L278 PolarHBondContact N-O 3.39Å; V98-L279 HydrophobicContact CB-CD1 3.98Å; V98-L279 HydrophobicContact CG1-CD1 3.74Å; V98-V280 PolarHBondContact O-N 3.36Å
99	V	98.9	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	98	-178.8	-171.4	0	0	0	0	109	V65 V66 F68 I97 L112 V115 V282	V65-V99 HydrophobicContact CG1-CG2 4.06Å; V66-V99 PolarHBondContact O-N 3.39Å; F68-V99 PolarHBondContact N-O 2.94Å; I97-V99 HydrophobicContact CG2-CG2 4.17Å; V99-L112 HydrophobicContact CB-CB 4.42Å; V99-L112 HydrophobicContact CG1-CB 4.14Å; V99-L112 HydrophobicContact CG1-CD2 3.78Å; V99-V115 HydrophobicContact CG1-CB 3.93Å; V99-V115 HydrophobicContact CG1-CG1 3.69Å; V99-V282 HydrophobicContact CG1-CG1 4.43Å; V99-V282 HydrophobicContact CG1-CG2 3.89Å
100	N	98.9	Very high	97	Very high	23 Å²	23	42.8 Å²	42.8	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.2	-174.2	-179.2	35.8	0	0	0	112.4	F68 V98 R102 L279 V280 N281 V282	F68-N100 HydrophobicContact CD1-CB 3.98Å; F68-N100 WeakPolarHBondContact CD1-OD1 3.19Å; F68-N100 WeakPolarHBondContact O-CA 3.27Å; F68-N100 PolarHBondContact O-OD1 3.02Å; V98-N100 PolarHBondContact O-N 2.9Å; N100-R102 PolarHBondContact O-N 3.12Å; N100-L279 HydrophobicContact CB-CD1 3.76Å; N100-V280 PolarHBondContact N-O 2.9Å; N100-N281 WeakPolarHBondContact CB-OD1 3.25Å; N100-N281 PolarHBondContact ND2-OD1 3.44Å; N100-V282 PolarHBondContact O-N 3.04Å
101	Q	98.8	Very high	97.4	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.019	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	110.2	177.4	-166.6	-177.6	-22.4	0	0	111.5	F68 D103 R106 N108 L112 L284	F68-Q101 PolarHBondContact O-N 2.78Å; Q101-D103 WeakPolarHBondContact CG-OD2 3.38Å; Q101-D103 PolarHBondContact NE2-OD1 2.95Å; Q101-D103 PolarHBondContact NE2-OD2 2.67Å; Q101-R106 PolarHBondContact NE2-O 2.97Å; Q101-N108 VanDerWaalsContact OE1-N 3.1Å; Q101-L112 HydrophobicContact CB-CD1 3.91Å; Q101-L112 HydrophobicContact CB-CD2 3.8Å; Q101-L112 HydrophobicContact CB-CG 4.42Å; Q101-L112 HydrophobicContact CG-CD2 4.21Å; Q101-L284 HydrophobicContact CG-CD1 4.23Å; Q101-L284 HydrophobicContact CG-CG 4.37Å
102	R	98.2	Very high	97.9	Very high	134 Å²	134	35.1 Å²	35.1	51%	0.506	16%	0.155	S	C	.	.			trans	-104.4	-5	-177.4	-69.6	-168.3	68.3	-175.1	0.5	115.2	N100 I265 D266 N281 V282	N100-R102 PolarHBondContact O-N 3.12Å; R102-I265 HydrophobicContact CB-CD1 3.62Å; R102-I265 HydrophobicContact CG-CD1 4.27Å; R102-D266 IonicContact NH1-OD2 3.95Å; R102-N281 WeakPolarHBondContact CD-OD1 3.38Å; R102-N281 HydrophobicContact CG-CB 4.27Å; R102-V282 PolarHBondContact N-O 3.08Å
103	D	97.8	Very high	98.3	Very high	21 Å²	21	33.9 Å²	33.9	11%	0.112	14%	0.142	C	C	.	.	S	Bend	trans	-70.8	172.8	170.6	61.6	74.3	0	0	0	112.4	Q101 F105 A283 L284	Q101-D103 WeakPolarHBondContact CG-OD2 3.38Å; Q101-D103 PolarHBondContact NE2-OD1 2.95Å; Q101-D103 PolarHBondContact NE2-OD2 2.67Å; D103-F105 HydrophobicContact CB-CD2 3.95Å; D103-F105 HydrophobicContact CB-CE2 4.4Å; D103-F105 VanDerWaalsContact OD1-CB 3.27Å; D103-F105 WeakPolarHBondContact OD1-CB 3.27Å; D103-F105 WeakPolarHBondContact OD1-CD2 3.45Å; D103-F105 PolarHBondContact OD1-N 3.03Å; D103-A283 HydrophobicContact CB-CB 4.17Å; D103-L284 WeakPolarHBondContact OD2-CB 3.07Å; D103-L284 PolarHBondContact OD2-N 2.86Å
104	R	96.8	Very high	98.5	Very high	223 Å²	223	28.4 Å²	28.4	84%	0.842	12%	0.119	S	C	*	.	S	Bend	trans	-93.8	6.1	-178.5	-63.7	-176.1	-179.4	169.6	0.2	113.4	R296	R104-R296 WeakPolarHBondContact O-CD 3.34Å; R104-R296 VanDerWaalsContact O-CG 3.28Å; R104-R296 WeakPolarHBondContact O-CG 3.38Å
105	F	97.9	Very high	98.5	Very high	51 Å²	51	26.6 Å²	26.6	22%	0.224	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-75.9	172.7	178.7	-58.1	-61.8	0	0	0	110.8	R69 D103 W191 L284 C286 C294 R296	R69-F105 PolarHBondContact NH1-O 3.29Å; D103-F105 HydrophobicContact CB-CD2 3.95Å; D103-F105 HydrophobicContact CB-CE2 4.4Å; D103-F105 VanDerWaalsContact OD1-CB 3.27Å; D103-F105 WeakPolarHBondContact OD1-CB 3.27Å; D103-F105 WeakPolarHBondContact OD1-CD2 3.45Å; D103-F105 PolarHBondContact OD1-N 3.03Å; F105-W191 HydrophobicContact CB-CE3 3.89Å; F105-W191 HydrophobicContact CB-CH2 4.03Å; F105-W191 HydrophobicContact CB-CZ3 3.39Å; F105-W191 HydrophobicContact CD2-CH2 4.27Å; F105-W191 HydrophobicContact CD2-CZ3 4.42Å; F105-W191 HydrophobicContact CG-CH2 4.34Å; F105-W191 HydrophobicContact CG-CZ3 4.17Å; F105-L284 WeakPolarHBondContact CE2-O 3.36Å; F105-C286 HydrophobicContact CD1-CB 3.83Å; F105-C286 HydrophobicContact CD2-CB 4.02Å; F105-C286 HydrophobicContact CE1-CB 3.72Å; F105-C286 HydrophobicContact CE2-CB 3.92Å; F105-C286 HydrophobicContact CG-CB 4Å; F105-C286 HydrophobicContact CZ-CB 3.77Å; F105-C294 CarbonylContact C-O 3.54Å; F105-C294 WeakPolarHBondContact CA-O 3.26Å; F105-C294 WeakPolarHBondContact CB-O 3.43Å; F105-R296 VanDerWaalsContact O-CD 3.32Å; F105-R296 WeakPolarHBondContact O-CD 3.49Å
106	R	97.7	Very high	98.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-62.5	164.7	170.8	-65.8	170	78.4	-171.1	1.6	109.4	Q101 N108 W191 D237 R239 W293 C294 I295 R296	Q101-R106 PolarHBondContact NE2-O 2.97Å; R106-N108 PolarHBondContact O-N 2.61Å; R106-W191 HydrophobicContact CB-CB 4.15Å; R106-W191 HydrophobicContact CB-CE3 4.48Å; R106-W191 PolarHBondContact NH1-O 3.29Å; R106-W191 WeakPolarHBondContact O-CZ3 3.24Å; R106-D237 IonicContact CZ-OD1 3.77Å; R106-D237 IonicContact CZ-OD2 2.59Å; R106-D237 IonicContact NE-OD1 3.62Å; R106-D237 IonicContact NE-OD2 2.84Å; R106-D237 PolarHBondContact NE-OD2 2.92Å; R106-D237 IonicContact NH2-OD1 2.74Å; R106-D237 PolarHBondContact NH2-OD1 3.02Å; R106-D237 IonicContact NH2-OD2 3.24Å; R106-D237 PolarHBondContact NH2-OD2 2.79Å; R106-R239 PolarHBondContact NH2-O 2.83Å; R106-W293 WeakPolarHBondContact CD-O 3.5Å; R106-W293 PolarHBondContact NH1-O 2.72Å; R106-C294 WeakPolarHBondContact CG-O 3.36Å; R106-C294 PolarHBondContact N-O 3.42Å; R106-I295 WeakPolarHBondContact CD-O 3.19Å; R106-R296 HydrophobicContact CG-CG 3.97Å
107	F	98.1	Very high	98.5	Very high	53 Å²	53	25.6 Å²	25.6	23%	0.232	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-67.9	138.8	179.7	-169.4	-120.9	0	0	0	109.1	P67 R69 R109 L112 G192	P67-F107 HydrophobicContact CB-CZ 3.82Å; R69-F107 HydrophobicContact CB-CD2 3.94Å; R69-F107 HydrophobicContact CB-CE2 3.94Å; F107-R109 HydrophobicContact CD1-CB 4.28Å; F107-R109 HydrophobicContact CE1-CB 3.78Å; F107-R109 HydrophobicContact CE1-CG 4.35Å; F107-L112 HydrophobicContact CD2-CD1 3.96Å; F107-L112 HydrophobicContact CE2-CD1 3.24Å; F107-L112 HydrophobicContact CZ-CD1 3.67Å; F107-G192 PolarHBondContact O-N 2.71Å
108	N	98.5	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.115	C	C	.	.			trans	-131.3	86.9	175.2	-172.8	-26.8	0	0	0	109.6	Q101 R106 A110 S111 L112 N188 Y190 W191 L284	Q101-N108 VanDerWaalsContact OE1-N 3.1Å; R106-N108 PolarHBondContact O-N 2.61Å; N108-A110 VanDerWaalsContact C-N 3.31Å; N108-A110 PolarHBondContact O-N 3.28Å; N108-S111 PolarHBondContact ND2-OG 2.83Å; N108-S111 PolarHBondContact O-N 3.48Å; N108-S111 WeakPolarHBondContact OD1-CB 3.14Å; N108-S111 PolarHBondContact OD1-N 2.79Å; N108-S111 PolarHBondContact OD1-OG 2.97Å; N108-L112 VanDerWaalsContact O-CG 3.28Å; N108-L112 WeakPolarHBondContact O-CG 3.36Å; N108-L112 PolarHBondContact O-N 2.9Å; N108-L112 VanDerWaalsContact O-N 3.15Å; N108-N188 PolarHBondContact ND2-O 2.86Å; N108-Y190 WeakPolarHBondContact CA-O 3.17Å; N108-Y190 VanDerWaalsContact CG-O 3.25Å; N108-Y190 PolarHBondContact OD1-O 2.83Å; N108-W191 HydrophobicContact CB-CD2 3.99Å; N108-W191 HydrophobicContact CB-CE3 3.59Å; N108-W191 HydrophobicContact CB-CH2 4.21Å; N108-W191 HydrophobicContact CB-CZ3 3.69Å; N108-W191 VanDerWaalsContact ND2-CE2 3.32Å; N108-L284 HydrophobicContact CB-CD1 3.85Å
109	R	98.7	Very high	98.5	Very high	22 Å²	22	28.3 Å²	28.3	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-55.8	-46.8	-177.5	-175.3	175.9	174	-83.4	-0.7	111.5	P67 F107 L112 I113 D132 G171 E196	P67-R109 HydrophobicContact CB-CG 4.02Å; P67-R109 HydrophobicContact CG-CG 3.92Å; F107-R109 HydrophobicContact CD1-CB 4.28Å; F107-R109 HydrophobicContact CE1-CB 3.78Å; F107-R109 HydrophobicContact CE1-CG 4.35Å; R109-L112 PolarHBondContact O-N 3.22Å; R109-I113 WeakPolarHBondContact O-CG1 3.38Å; R109-I113 PolarHBondContact O-N 2.95Å; R109-D132 IonicContact CZ-OD1 2.78Å; R109-D132 IonicContact NE-OD1 3.12Å; R109-D132 PolarHBondContact NE-OD1 3.17Å; R109-D132 IonicContact NH2-OD1 3.59Å; R109-D132 PolarHBondContact NH2-OD1 2.79Å; R109-G171 PolarHBondContact NH2-O 3.47Å; R109-E196 WeakPolarHBondContact CD-OE1 3.39Å; R109-E196 IonicContact NH1-OE1 3.98Å
110	A	98.8	Very high	98.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-46.8	-178.2	0	0	0	0	0	113.2	N108 L112 I113 N114 M186 S187 E196	N108-A110 VanDerWaalsContact C-N 3.31Å; N108-A110 PolarHBondContact O-N 3.28Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 3.31Å; A110-I113 PolarHBondContact O-N 3.35Å; A110-N114 PolarHBondContact O-N 3.23Å; A110-M186 HydrophobicContact CB-CB 3.6Å; A110-M186 HydrophobicContact CB-CE 4.12Å; A110-M186 HydrophobicContact CB-CG 4.46Å; A110-M186 HydrophobicContact CB-SD 4.09Å; A110-S187 WeakPolarHBondContact CB-O 3.47Å; A110-E196 HydrophobicContact CB-CB 4.05Å; A110-E196 HydrophobicContact CB-CG 4.24Å
111	S	98.9	Very high	98.5	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-64.7	-35.5	175.9	-71.6	0	0	0	0	112.7	N108 N114 V115 N188	N108-S111 PolarHBondContact ND2-OG 2.83Å; N108-S111 PolarHBondContact O-N 3.48Å; N108-S111 WeakPolarHBondContact OD1-CB 3.14Å; N108-S111 PolarHBondContact OD1-N 2.79Å; N108-S111 PolarHBondContact OD1-OG 2.97Å; S111-N114 WeakPolarHBondContact O-CB 3.38Å; S111-N114 PolarHBondContact O-N 3.28Å; S111-V115 WeakPolarHBondContact O-CG2 3.41Å; S111-V115 PolarHBondContact O-N 2.88Å; S111-N188 WeakPolarHBondContact OG-CA 3.23Å; S111-N188 WeakPolarHBondContact OG-CB 3.24Å; S111-N188 PolarHBondContact OG-OD1 3.38Å
112	L	98.9	Very high	98.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.9	-35.5	175.6	-63.3	168.7	0	0	0	112.3	P67 V99 Q101 F107 N108 R109 A110 V115 G116 V282 L284	P67-L112 HydrophobicContact CB-CB 3.88Å; P67-L112 HydrophobicContact CB-CD1 3.97Å; P67-L112 HydrophobicContact CG-CB 4.34Å; V99-L112 HydrophobicContact CB-CB 4.42Å; V99-L112 HydrophobicContact CG1-CB 4.14Å; V99-L112 HydrophobicContact CG1-CD2 3.78Å; Q101-L112 HydrophobicContact CB-CD1 3.91Å; Q101-L112 HydrophobicContact CB-CD2 3.8Å; Q101-L112 HydrophobicContact CB-CG 4.42Å; Q101-L112 HydrophobicContact CG-CD2 4.21Å; F107-L112 HydrophobicContact CD2-CD1 3.96Å; F107-L112 HydrophobicContact CE2-CD1 3.24Å; F107-L112 HydrophobicContact CZ-CD1 3.67Å; N108-L112 VanDerWaalsContact O-CG 3.28Å; N108-L112 WeakPolarHBondContact O-CG 3.36Å; N108-L112 PolarHBondContact O-N 2.9Å; N108-L112 VanDerWaalsContact O-N 3.15Å; R109-L112 PolarHBondContact O-N 3.22Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 3.31Å; L112-V115 WeakPolarHBondContact O-CB 3.45Å; L112-V115 PolarHBondContact O-N 2.96Å; L112-G116 PolarHBondContact O-N 3.1Å; L112-V282 HydrophobicContact CD2-CG2 3.64Å; L112-L284 HydrophobicContact CD2-CD1 4.13Å; L112-L284 HydrophobicContact CD2-CD2 4.32Å; L112-L284 HydrophobicContact CD2-CG 4.3Å; L112-L284 HydrophobicContact CG-CD1 4.29Å
113	I	98.9	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-44.1	169.7	-72.5	-58.6	0	0	0	110.9	V65 P67 R109 A110 V115 G116 F117 F128 M130 F180 M186	V65-I113 HydrophobicContact CB-CD1 4.44Å; V65-I113 HydrophobicContact CG1-CD1 3.83Å; P67-I113 HydrophobicContact CG-CD1 3.29Å; P67-I113 HydrophobicContact CG-CG1 3.56Å; R109-I113 WeakPolarHBondContact O-CG1 3.38Å; R109-I113 PolarHBondContact O-N 2.95Å; A110-I113 PolarHBondContact O-N 3.35Å; I113-V115 VanDerWaalsContact C-N 3.29Å; I113-V115 PolarHBondContact O-N 3.34Å; I113-G116 CarbonylContact O-C 3.58Å; I113-G116 WeakPolarHBondContact O-CA 3.38Å; I113-G116 PolarHBondContact O-N 2.82Å; I113-F117 PolarHBondContact O-N 3.11Å; I113-F128 HydrophobicContact CG2-CE2 4.01Å; I113-F128 HydrophobicContact CG2-CZ 4.34Å; I113-M130 HydrophobicContact CD1-CB 3.64Å; I113-M130 HydrophobicContact CD1-CG 3.85Å; I113-M130 HydrophobicContact CG1-CB 4.33Å; I113-M130 HydrophobicContact CG1-CG 4.3Å; I113-M130 HydrophobicContact CG2-CG 3.76Å; I113-M130 HydrophobicContact CG2-SD 3.77Å; I113-F180 HydrophobicContact CG2-CE2 3.97Å; I113-F180 HydrophobicContact CG2-CZ 3.71Å; I113-M186 HydrophobicContact CB-SD 3.87Å; I113-M186 HydrophobicContact CG1-SD 4.14Å; I113-M186 HydrophobicContact CG2-CG 4.31Å; I113-M186 HydrophobicContact CG2-SD 3.73Å
114	N	98.9	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-36.6	175.4	-68.3	-22.5	0	0	0	112.3	A110 S111 F117 F118 F180 M186 N188 L257 L260	A110-N114 PolarHBondContact O-N 3.23Å; S111-N114 WeakPolarHBondContact O-CB 3.38Å; S111-N114 PolarHBondContact O-N 3.28Å; N114-F117 WeakPolarHBondContact O-CB 3.4Å; N114-F117 PolarHBondContact O-N 2.77Å; N114-F118 VanDerWaalsContact O-CD2 3.23Å; N114-F118 WeakPolarHBondContact O-CD2 3.28Å; N114-F180 WeakPolarHBondContact OD1-CE1 3.43Å; N114-F180 VanDerWaalsContact OD1-CZ 3.25Å; N114-F180 WeakPolarHBondContact OD1-CZ 2.99Å; N114-M186 PolarHBondContact ND2-O 3.2Å; N114-M186 PolarHBondContact OD1-N 3.35Å; N114-N188 PolarHBondContact ND2-OD1 2.83Å; N114-L257 HydrophobicContact CB-CD1 3.97Å; N114-L260 HydrophobicContact CB-CD2 3.62Å
115	V	98.9	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-47.3	170.3	171.8	0	0	0	0	110.4	V99 S111 L112 I113 F117 F118 E119 L260 Y262 V282 L284	V99-V115 HydrophobicContact CG1-CB 3.93Å; V99-V115 HydrophobicContact CG1-CG1 3.69Å; S111-V115 WeakPolarHBondContact O-CG2 3.41Å; S111-V115 PolarHBondContact O-N 2.88Å; L112-V115 WeakPolarHBondContact O-CB 3.45Å; L112-V115 PolarHBondContact O-N 2.96Å; I113-V115 VanDerWaalsContact C-N 3.29Å; I113-V115 PolarHBondContact O-N 3.34Å; V115-F117 PolarHBondContact O-N 3.29Å; V115-F118 WeakPolarHBondContact O-CB 3.5Å; V115-F118 PolarHBondContact O-N 2.76Å; V115-E119 HydrophobicContact CG1-CG 4.24Å; V115-E119 PolarHBondContact O-N 2.93Å; V115-L260 HydrophobicContact CG2-CD2 3.72Å; V115-Y262 HydrophobicContact CB-CE2 4.3Å; V115-Y262 HydrophobicContact CG1-CD2 4.21Å; V115-Y262 HydrophobicContact CG1-CE2 3.76Å; V115-Y262 HydrophobicContact CG2-CD1 4.11Å; V115-Y262 HydrophobicContact CG2-CD2 3.59Å; V115-Y262 HydrophobicContact CG2-CE1 4.26Å; V115-Y262 HydrophobicContact CG2-CE2 3.76Å; V115-Y262 HydrophobicContact CG2-CG 3.77Å; V115-V282 HydrophobicContact CG1-CG1 3.9Å; V115-L284 HydrophobicContact CG2-CD2 4.26Å
116	G	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-29.3	179.6	0	0	0	0	0	114.2	L112 I113 E119 S120	L112-G116 PolarHBondContact O-N 3.1Å; I113-G116 CarbonylContact O-C 3.58Å; I113-G116 WeakPolarHBondContact O-CA 3.38Å; I113-G116 PolarHBondContact O-N 2.82Å; G116-E119 PolarHBondContact O-N 3.07Å; G116-S120 VanDerWaalsContact O-CB 3.31Å; G116-S120 WeakPolarHBondContact O-CB 3.47Å; G116-S120 PolarHBondContact O-N 3.33Å; G116-S120 PolarHBondContact O-OG 3.13Å
117	F	98.9	Very high	98.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-48.5	168.8	167	-86.6	0	0	0	111.7	I113 N114 V115 S120 R121 F128 L177 F180 D181 L257	I113-F117 PolarHBondContact O-N 3.11Å; N114-F117 WeakPolarHBondContact O-CB 3.4Å; N114-F117 PolarHBondContact O-N 2.77Å; V115-F117 PolarHBondContact O-N 3.29Å; F117-S120 PolarHBondContact O-N 2.84Å; F117-R121 HydrophobicContact CE1-CG 4.33Å; F117-R121 HydrophobicContact CZ-CG 4.37Å; F117-R121 PolarHBondContact O-N 2.81Å; F117-F128 HydrophobicContact CB-CZ 4.43Å; F117-F128 HydrophobicContact CD2-CE1 4.22Å; F117-L177 HydrophobicContact CD2-CB 4.45Å; F117-L177 HydrophobicContact CD2-CD2 3.43Å; F117-L177 VanDerWaalsContact CD2-CD2 3.43Å; F117-L177 HydrophobicContact CD2-CG 4.49Å; F117-L177 HydrophobicContact CE2-CB 3.86Å; F117-L177 HydrophobicContact CE2-CD2 3.72Å; F117-L177 HydrophobicContact CE2-CG 4.33Å; F117-L177 WeakPolarHBondContact CE2-O 3.46Å; F117-L177 HydrophobicContact CG-CD2 4.31Å; F117-F180 HydrophobicContact CB-CD1 3.99Å; F117-F180 HydrophobicContact CB-CE1 3.9Å; F117-F180 HydrophobicContact CD2-CB 4.22Å; F117-F180 AromaticContact CD2-CD1 3.44Å; F117-F180 HydrophobicContact CD2-CD1 3.44Å; F117-F180 VanDerWaalsContact CD2-CD1 3.44Å; F117-F180 HydrophobicContact CD2-CE1 4.21Å; F117-F180 HydrophobicContact CD2-CG 4.19Å; F117-F180 HydrophobicContact CE2-CB 4.41Å; F117-F180 HydrophobicContact CE2-CD1 4.12Å; F117-F180 AromaticContact CG-CD1 3.88Å; F117-F180 HydrophobicContact CG-CD1 3.88Å; F117-F180 HydrophobicContact CG-CE1 4.21Å; F117-D181 HydrophobicContact CE2-CB 4.15Å; F117-D181 HydrophobicContact CZ-CB 3.96Å; F117-L257 HydrophobicContact CB-CD1 4.2Å; F117-L257 HydrophobicContact CD1-CD1 3.58Å; F117-L257 HydrophobicContact CD1-CD2 3.71Å; F117-L257 HydrophobicContact CD1-CG 4.21Å; F117-L257 HydrophobicContact CD2-CD2 4.41Å; F117-L257 HydrophobicContact CE1-CD1 4.2Å; F117-L257 HydrophobicContact CE1-CD2 3.56Å; F117-L257 HydrophobicContact CE1-CG 4.36Å; F117-L257 HydrophobicContact CE2-CD2 4.26Å; F117-L257 HydrophobicContact CG-CD1 4.03Å; F117-L257 HydrophobicContact CG-CD2 4.14Å; F117-L257 HydrophobicContact CZ-CD2 3.83Å
118	F	98.9	Very high	98.6	Very high	56 Å²	56	26.2 Å²	26.2	25%	0.246	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-40.9	179.1	-65.6	-64.5	0	0	0	111.5	N114 V115 S120 R121 L122 L257 L260 Y262	N114-F118 VanDerWaalsContact O-CD2 3.23Å; N114-F118 WeakPolarHBondContact O-CD2 3.28Å; V115-F118 WeakPolarHBondContact O-CB 3.5Å; V115-F118 PolarHBondContact O-N 2.76Å; F118-S120 VanDerWaalsContact C-N 3.31Å; F118-S120 PolarHBondContact O-N 2.79Å; F118-R121 WeakPolarHBondContact O-CB 3.39Å; F118-R121 PolarHBondContact O-N 2.79Å; F118-L122 WeakPolarHBondContact O-CG 3.37Å; F118-L122 PolarHBondContact O-N 2.81Å; F118-L257 HydrophobicContact CD2-CD1 4.13Å; F118-L257 HydrophobicContact CE1-CD1 4.21Å; F118-L257 HydrophobicContact CE2-CD1 3.43Å; F118-L257 VanDerWaalsContact CE2-CD1 3.43Å; F118-L257 HydrophobicContact CE2-CG 4.32Å; F118-L257 HydrophobicContact CZ-CD1 3.48Å; F118-L257 VanDerWaalsContact CZ-CD1 3.48Å; F118-L257 HydrophobicContact CZ-CG 3.91Å; F118-L260 HydrophobicContact CE2-CD2 4.25Å; F118-Y262 HydrophobicContact CD2-CE1 4.2Å; F118-Y262 HydrophobicContact CE2-CE1 4.38Å
119	E	98.9	Very high	98.6	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-34.7	175.9	-61.4	-62.9	142.8	0	0	112	I97 V115 G116 L122 E123 R267 V280	I97-E119 HydrophobicContact CD1-CB 4.05Å; I97-E119 HydrophobicContact CG2-CB 4.09Å; V115-E119 HydrophobicContact CG1-CG 4.24Å; V115-E119 PolarHBondContact O-N 2.93Å; G116-E119 PolarHBondContact O-N 3.07Å; E119-L122 PolarHBondContact O-N 3.44Å; E119-E123 PolarHBondContact O-N 3.04Å; E119-R267 IonicContact OE1-CZ 2.78Å; E119-R267 IonicContact OE1-NE 3.87Å; E119-R267 PolarHBondContact OE1-NE 3.35Å; E119-R267 IonicContact OE1-NH2 3.54Å; E119-R267 PolarHBondContact OE1-NH2 2.87Å; E119-R267 IonicContact OE2-CZ 3.31Å; E119-R267 IonicContact OE2-NE 3.55Å; E119-R267 PolarHBondContact OE2-NE 2.88Å; E119-R267 IonicContact OE2-NH2 2.71Å; E119-V280 HydrophobicContact CG-CB 4.45Å; E119-V280 HydrophobicContact CG-CG1 4.1Å; E119-V280 HydrophobicContact CG-CG2 3.98Å
120	S	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.8	-40.7	174.6	-58.6	0	0	0	0	111.6	C63 V65 G116 F117 F118 L122 E123 G124 C125	C63-S120 VanDerWaalsContact CB-OG 3.24Å; C63-S120 WeakPolarHBondContact CB-OG 3.48Å; V65-S120 WeakPolarHBondContact CG2-OG 3.37Å; G116-S120 VanDerWaalsContact O-CB 3.31Å; G116-S120 WeakPolarHBondContact O-CB 3.47Å; G116-S120 PolarHBondContact O-N 3.33Å; G116-S120 PolarHBondContact O-OG 3.13Å; F117-S120 PolarHBondContact O-N 2.84Å; F118-S120 VanDerWaalsContact C-N 3.31Å; F118-S120 PolarHBondContact O-N 2.79Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-E123 PolarHBondContact O-N 3.32Å; S120-G124 PolarHBondContact O-N 2.8Å; S120-C125 WeakPolarHBondContact O-CB 3.35Å; S120-C125 PolarHBondContact O-N 2.9Å
121	R	98.4	Very high	98.6	Very high	152 Å²	152	25.3 Å²	25.3	57%	0.574	13%	0.131	S	C	*	.	H	α-helix	trans	-62.1	-41.1	172.5	-74.2	-173.6	67.7	176.6	1.8	112.3	F117 F118 E123 G124 L177	F117-R121 HydrophobicContact CE1-CG 4.33Å; F117-R121 HydrophobicContact CZ-CG 4.37Å; F117-R121 PolarHBondContact O-N 2.81Å; F118-R121 WeakPolarHBondContact O-CB 3.39Å; F118-R121 PolarHBondContact O-N 2.79Å; R121-E123 VanDerWaalsContact C-N 3.26Å; R121-E123 PolarHBondContact O-N 3.1Å; R121-G124 PolarHBondContact O-N 3.37Å; R121-G124 VanDerWaalsContact O-N 3.09Å; R121-L177 HydrophobicContact CG-CD1 3.7Å
122	L	98.3	Very high	98.6	Very high	122 Å²	122	27.1 Å²	27.1	64%	0.639	14%	0.141	S	C	*	.	H	α-helix	trans	-64.8	-32	177.3	-69.2	174.9	0	0	0	112.1	F118 E119 S120 G124	F118-L122 WeakPolarHBondContact O-CG 3.37Å; F118-L122 PolarHBondContact O-N 2.81Å; E119-L122 PolarHBondContact O-N 3.44Å; S120-L122 VanDerWaalsContact C-N 3.35Å; L122-G124 VanDerWaalsContact C-N 3.26Å; L122-G124 PolarHBondContact O-N 2.81Å
123	E	97.6	Very high	98.6	Very high	72 Å²	72	27.5 Å²	27.5	34%	0.336	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.8	173.4	-124.8	-59.3	-121.5	0	0	114.2	H61 S95 E119 S120 R121 C125	H61-E123 PolarHBondContact CE1-O 3.22Å; H61-E123 IonicContact CE1-OE1 3.44Å; H61-E123 PolarHBondContact ND1-O 3.31Å; H61-E123 IonicContact NE2-OE1 3.69Å; S95-E123 PolarHBondContact OG-OE1 3.36Å; E119-E123 PolarHBondContact O-N 3.04Å; S120-E123 PolarHBondContact O-N 3.32Å; R121-E123 VanDerWaalsContact C-N 3.26Å; R121-E123 PolarHBondContact O-N 3.1Å; E123-C125 PolarHBondContact O-N 2.85Å
124	G	97.6	Very high	98.6	Very high	54 Å²	54	28.4 Å²	28.4	56%	0.557	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	19.6	-176.9	0	0	0	0	0	114.3	S120 R121 L122	S120-G124 PolarHBondContact O-N 2.8Å; R121-G124 PolarHBondContact O-N 3.37Å; R121-G124 VanDerWaalsContact O-N 3.09Å; L122-G124 VanDerWaalsContact C-N 3.26Å; L122-G124 PolarHBondContact O-N 2.81Å
125	C	98.3	Very high	98.5	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.047	15%	0.148	C	C	.	.			trans	-67.1	150.8	166.6	-66.5	0	0	0	0	110	H61 C63 S120 E123 L177	H61-C125 VanDerWaalsContact CD2-SG 3.5Å; H61-C125 VanDerWaalsContact CE1-SG 3.56Å; H61-C125 PolarHBondContact NE2-SG 3.47Å; H61-C125 WeakPolarHBondContact O-CA 3.17Å; H61-C125 VanDerWaalsContact O-CB 3.23Å; H61-C125 WeakPolarHBondContact O-CB 3.25Å; C63-C125 VanDerWaalsContact CA-SG 3.55Å; C63-C125 HydrophobicContact CB-CB 3.72Å; C63-C125 WeakPolarHBondContact CB-SG 3.45Å; C63-C125 PolarHBondContact N-SG 3.04Å; C63-C125 WeakPolarHBondContact SG-CB 3.28Å; C63-C125 CovalentContact SG-SG 2.04Å; C63-C125 PolarHBondContact SG-SG 3.26Å; S120-C125 WeakPolarHBondContact O-CB 3.35Å; S120-C125 PolarHBondContact O-N 2.9Å; E123-C125 PolarHBondContact O-N 2.85Å; C125-L177 WeakPolarHBondContact O-CD1 3.33Å
126	D	97.7	Very high	98.5	Very high	54 Å²	54	28.5 Å²	28.5	29%	0.289	15%	0.148	S	C	.	.	S	Bend	trans	-112.9	-10.8	175.9	57.6	-19.8	0	0	0	112.9	H60 H61 L177	H60-D126 IonicContact CE1-OD2 3.98Å; H60-D126 IonicContact CG-OD2 3.87Å; H60-D126 IonicContact ND1-OD2 3.23Å; H60-D126 PolarHBondContact ND1-OD2 3.13Å; H61-D126 PolarHBondContact N-OD1 3.47Å; H61-D126 PolarHBondContact O-N 2.77Å; H61-D126 VanDerWaalsContact O-N 3.17Å; H61-D126 VanDerWaalsContact O-OD1 3.06Å; D126-L177 PolarHBondContact O-N 2.98Å
127	Y	98.7	Very high	98.5	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.1	171.5	76	-61.3	0	0	0	110.3	H60 H61 L62 C63 Y144 G145 F146 V174 V175	H60-Y127 HydrophobicContact CB-CD1 4.3Å; H60-Y127 HydrophobicContact CB-CE1 3.79Å; H61-Y127 WeakPolarHBondContact O-CD1 3.45Å; L62-Y127 VanDerWaalsContact CA-CE1 3.47Å; L62-Y127 HydrophobicContact CB-CD1 4.47Å; L62-Y127 HydrophobicContact CB-CE1 3.7Å; L62-Y127 HydrophobicContact CB-CE2 4.19Å; L62-Y127 HydrophobicContact CD1-CD2 3.89Å; L62-Y127 HydrophobicContact CD1-CE1 4.41Å; L62-Y127 HydrophobicContact CD1-CE2 3.57Å; L62-Y127 HydrophobicContact CD1-CG 4.46Å; L62-Y127 HydrophobicContact CG-CE2 4.37Å; C63-Y127 PolarHBondContact N-O 3.44Å; Y127-Y144 WeakPolarHBondContact CE2-O 3.44Å; Y127-Y144 PolarHBondContact OH-O 3.02Å; Y127-G145 VanDerWaalsContact CE2-C 3.44Å; Y127-G145 WeakPolarHBondContact CE2-O 3.09Å; Y127-F146 AromaticContact CD1-CD2 3.78Å; Y127-F146 HydrophobicContact CD1-CD2 3.78Å; Y127-F146 HydrophobicContact CD2-CD2 4.36Å; Y127-F146 HydrophobicContact CE1-CB 4.49Å; Y127-F146 HydrophobicContact CE1-CD2 4.31Å; Y127-F146 HydrophobicContact CE2-CB 4.39Å; Y127-F146 AromaticContact CG-CD2 3.79Å; Y127-F146 HydrophobicContact CG-CD2 3.79Å; Y127-F146 HydrophobicContact CG-CE2 4.45Å; Y127-V174 HydrophobicContact CD2-CG1 3.54Å; Y127-V174 HydrophobicContact CE2-CG1 3.86Å; Y127-V175 WeakPolarHBondContact CA-O 3.14Å; Y127-V175 WeakPolarHBondContact CB-O 3.02Å
128	F	98.8	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.7	-178.1	75.6	-74.3	0	0	0	112.8	C63 V65 I113 F117 M130 V174 V175 L177 F180	C63-F128 HydrophobicContact CB-CB 3.97Å; C63-F128 CarbonylContact O-C 3.58Å; C63-F128 WeakPolarHBondContact O-CA 3.46Å; C63-F128 WeakPolarHBondContact O-CB 3.49Å; V65-F128 HydrophobicContact CB-CD2 4Å; V65-F128 HydrophobicContact CG2-CB 4.24Å; V65-F128 HydrophobicContact CG2-CD2 3.64Å; V65-F128 HydrophobicContact CG2-CE2 4.41Å; V65-F128 HydrophobicContact CG2-CG 4.32Å; I113-F128 HydrophobicContact CG2-CE2 4.01Å; I113-F128 HydrophobicContact CG2-CZ 4.34Å; F117-F128 HydrophobicContact CB-CZ 4.43Å; F117-F128 HydrophobicContact CD2-CE1 4.22Å; F128-M130 HydrophobicContact CD2-CG 4.25Å; F128-M130 HydrophobicContact CE2-CG 3.6Å; F128-M130 HydrophobicContact CZ-CE 4.37Å; F128-M130 HydrophobicContact CZ-CG 4.26Å; F128-V174 WeakPolarHBondContact O-CA 3.11Å; F128-V175 HydrophobicContact CD1-CG1 3.7Å; F128-V175 HydrophobicContact CE1-CG1 3.26Å; F128-V175 HydrophobicContact CE2-CG1 4.23Å; F128-V175 HydrophobicContact CG-CG1 4.37Å; F128-V175 HydrophobicContact CZ-CG1 3.57Å; F128-V175 PolarHBondContact N-O 2.04Å; F128-V175 PolarHBondContact O-N 3.46Å; F128-L177 HydrophobicContact CD1-CD2 3.41Å; F128-L177 VanDerWaalsContact CD1-CD2 3.41Å; F128-L177 HydrophobicContact CD1-CG 4.45Å; F128-L177 HydrophobicContact CE1-CD2 3.78Å; F128-L177 HydrophobicContact CG-CD2 4.35Å; F128-F180 HydrophobicContact CE1-CB 3.9Å; F128-F180 HydrophobicContact CE1-CD1 4.22Å; F128-F180 HydrophobicContact CE1-CD2 4.05Å; F128-F180 AromaticContact CE1-CG 3.79Å; F128-F180 HydrophobicContact CE1-CG 3.79Å; F128-F180 HydrophobicContact CZ-CB 4.36Å; F128-F180 HydrophobicContact CZ-CD1 4.05Å; F128-F180 AromaticContact CZ-CD2 3.66Å; F128-F180 HydrophobicContact CZ-CD2 3.66Å; F128-F180 HydrophobicContact CZ-CE1 4.21Å; F128-F180 AromaticContact CZ-CE2 3.86Å; F128-F180 HydrophobicContact CZ-CE2 3.86Å; F128-F180 AromaticContact CZ-CG 3.75Å; F128-F180 HydrophobicContact CZ-CG 3.75Å; F128-F180 HydrophobicContact CZ-CZ 4.13Å
129	A	98.9	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.4	171	0	0	0	0	0	109.3	L62 C63 V64 V65 H131 Y144 L173 V174	L62-A129 HydrophobicContact CD1-CB 4.25Å; C63-A129 PolarHBondContact O-N 3.22Å; V64-A129 HydrophobicContact CG2-CB 4.45Å; V65-A129 PolarHBondContact N-O 3.4Å; A129-H131 PolarHBondContact O-N 3.19Å; A129-Y144 HydrophobicContact CB-CD1 3.95Å; A129-Y144 HydrophobicContact CB-CE1 3.98Å; A129-L173 CarbonylContact C-O 3.56Å; A129-L173 WeakPolarHBondContact CA-O 3.24Å; A129-V174 HydrophobicContact CB-CG2 3.99Å
130	M	98.8	Very high	98.4	Very high	3 Å²	3	35 Å²	35	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.1	163	-53.2	176.4	-135.5	0	0	107.8	I113 F128 I172 L173 V175 F180 M186 F200	I113-M130 HydrophobicContact CD1-CB 3.64Å; I113-M130 HydrophobicContact CD1-CG 3.85Å; I113-M130 HydrophobicContact CG1-CB 4.33Å; I113-M130 HydrophobicContact CG1-CG 4.3Å; I113-M130 HydrophobicContact CG2-CG 3.76Å; I113-M130 HydrophobicContact CG2-SD 3.77Å; F128-M130 HydrophobicContact CD2-CG 4.25Å; F128-M130 HydrophobicContact CE2-CG 3.6Å; F128-M130 HydrophobicContact CZ-CE 4.37Å; F128-M130 HydrophobicContact CZ-CG 4.26Å; M130-I172 VanDerWaalsContact O-CA 3.29Å; M130-I172 WeakPolarHBondContact O-CA 3.44Å; M130-L173 HydrophobicContact CB-CB 4.45Å; M130-L173 HydrophobicContact CE-CB 4.34Å; M130-L173 HydrophobicContact CE-CD2 3.63Å; M130-L173 HydrophobicContact CE-CG 4.11Å; M130-L173 PolarHBondContact N-O 3.35Å; M130-L173 PolarHBondContact O-N 3.01Å; M130-L173 HydrophobicContact SD-CB 4.41Å; M130-L173 HydrophobicContact SD-CD2 4.2Å; M130-V175 HydrophobicContact CE-CB 4.05Å; M130-V175 HydrophobicContact CE-CG1 3.4Å; M130-F180 HydrophobicContact CE-CD2 3.84Å; M130-F180 HydrophobicContact CE-CE2 3.74Å; M130-F180 HydrophobicContact SD-CE2 4.31Å; M130-M186 HydrophobicContact SD-SD 4.06Å; M130-F200 HydrophobicContact CE-CE1 3.71Å; M130-F200 HydrophobicContact CE-CZ 4.03Å
131	H	98.9	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126	-166.7	-156.8	-52.3	0	0	0	113.4	V64 V65 V66 F78 A129 L135 Y144	V64-H131 HydrophobicContact CG1-CB 3.86Å; V65-H131 PolarHBondContact O-N 3.36Å; V66-H131 HydrophobicContact CG2-CB 4.36Å; F78-H131 AromaticContact CE2-CE1 3.38Å; F78-H131 WeakPolarHBondContact CE2-CE1 3.11Å; F78-H131 AromaticContact CE2-ND1 3.52Å; F78-H131 AromaticContact CE2-NE2 3.76Å; A129-H131 PolarHBondContact O-N 3.19Å; H131-L135 PolarHBondContact CE1-O 3.35Å; H131-Y144 AromaticContact CD2-CE1 3.76Å; H131-Y144 AromaticContact CD2-CZ 3.97Å; H131-Y144 PolarHBondContact CD2-OH 2.87Å; H131-Y144 VanDerWaalsContact CD2-OH 3.29Å; H131-Y144 AromaticContact NE2-CZ 3.8Å; H131-Y144 PolarHBondContact NE2-OH 3.44Å
132	D	98.5	Very high	98.3	Very high	41 Å²	41	33.2 Å²	33.2	22%	0.219	19%	0.187	C	C	.	.			trans	-72.8	128.4	168.7	-71.4	-1.5	0	0	0	110.3	R109 D134 L135 G171	R109-D132 IonicContact CZ-OD1 2.78Å; R109-D132 IonicContact NE-OD1 3.12Å; R109-D132 PolarHBondContact NE-OD1 3.17Å; R109-D132 IonicContact NH2-OD1 3.59Å; R109-D132 PolarHBondContact NH2-OD1 2.79Å; D132-D134 PolarHBondContact O-N 2.8Å; D132-D134 VanDerWaalsContact O-N 3.13Å; D132-L135 HydrophobicContact CB-CB 4.31Å; D132-L135 PolarHBondContact O-N 2.71Å; D132-G171 PolarHBondContact N-O 2.94Å; D132-G171 WeakPolarHBondContact OD2-CA 3.23Å
133	V	98.6	Very high	98.2	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.055	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.8	-176.3	69.6	0	0	0	0	113.3	V66 R71 E74 L75 F78	V66-V133 HydrophobicContact CG1-CB 3.65Å; V66-V133 HydrophobicContact CG1-CG2 4.04Å; R71-V133 HydrophobicContact CB-CG1 3.82Å; R71-V133 HydrophobicContact CG-CG1 4.04Å; E74-V133 HydrophobicContact CB-CG1 4.1Å; E74-V133 HydrophobicContact CB-CG2 4.11Å; L75-V133 HydrophobicContact CB-CG2 4.34Å; L75-V133 HydrophobicContact CD1-CG2 4.19Å; F78-V133 HydrophobicContact CB-CG2 3.94Å; F78-V133 HydrophobicContact CD1-CG2 4.35Å; F78-V133 HydrophobicContact CG-CG2 4.03Å
134	D	98.2	Very high	98.3	Very high	19 Å²	19	26.2 Å²	26.2	10%	0.102	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	1.4	-174.6	64.3	-3.1	0	0	0	114.3	E74 D132 H227 I228 H229	E74-D134 HydrophobicContact CG-CB 4.2Å; D132-D134 PolarHBondContact O-N 2.8Å; D132-D134 VanDerWaalsContact O-N 3.13Å; D134-H227 CarbonylContact O-C 3.57Å; D134-H227 WeakPolarHBondContact O-CA 3.35Å; D134-H227 PolarHBondContact O-CD2 2.87Å; D134-H227 VanDerWaalsContact O-CD2 3.28Å; D134-H227 IonicContact OD1-CD2 3.73Å; D134-H227 IonicContact OD1-NE2 3.91Å; D134-H227 IonicContact OD2-CD2 3.66Å; D134-H227 IonicContact OD2-NE2 3.54Å; D134-H227 PolarHBondContact OD2-NE2 3.15Å; D134-I228 HydrophobicContact CB-CG1 4.09Å; D134-I228 VanDerWaalsContact O-CG1 3.31Å; D134-I228 WeakPolarHBondContact O-CG1 3.19Å; D134-I228 PolarHBondContact O-N 3.49Å; D134-H229 IonicContact OD2-CG 3.91Å; D134-H229 IonicContact OD2-ND1 3.59Å; D134-H229 PolarHBondContact OD2-ND1 2.89Å; D134-H229 VanDerWaalsContact OD2-ND1 3.07Å
135	L	98.7	Very high	98.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	98.3	-175.8	-172.1	65.1	0	0	0	112	H131 D132 P161 I172 F225 H227	H131-L135 PolarHBondContact CE1-O 3.35Å; D132-L135 HydrophobicContact CB-CB 4.31Å; D132-L135 PolarHBondContact O-N 2.71Å; L135-P161 HydrophobicContact CD1-CG 3.81Å; L135-I172 HydrophobicContact CB-CD1 4.44Å; L135-I172 HydrophobicContact CD2-CD1 3.86Å; L135-I172 HydrophobicContact CD2-CG1 4.09Å; L135-I172 HydrophobicContact CG-CD1 4.02Å; L135-F225 HydrophobicContact CD1-CB 3.67Å; L135-F225 HydrophobicContact CD1-CD1 4.12Å; L135-F225 HydrophobicContact CD1-CG 3.98Å; L135-F225 HydrophobicContact CD2-CD1 4.34Å; L135-F225 HydrophobicContact CG-CB 4.35Å; L135-F225 HydrophobicContact CG-CD1 3.87Å; L135-F225 HydrophobicContact CG-CG 4.24Å; L135-H227 HydrophobicContact CD1-CB 4.45Å
136	L	98.8	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.1	-173	-52.5	-178.3	0	0	0	111.7	V77 F78 H81 F225 R226 I228	V77-L136 HydrophobicContact CG1-CD1 3.75Å; F78-L136 HydrophobicContact CB-CD2 4.26Å; F78-L136 HydrophobicContact CD2-CD2 3.8Å; H81-L136 HydrophobicContact CB-CD1 4.41Å; H81-L136 HydrophobicContact CB-CD2 4.33Å; L136-F225 CarbonylContact O-C 3.58Å; L136-F225 VanDerWaalsContact O-CA 3.23Å; L136-F225 WeakPolarHBondContact O-CA 3.37Å; L136-R226 HydrophobicContact CB-CB 4.27Å; L136-R226 PolarHBondContact N-O 3.26Å; L136-R226 PolarHBondContact O-N 2.92Å; L136-I228 HydrophobicContact CD1-CD1 4.06Å; L136-I228 HydrophobicContact CD1-CG1 4.39Å; L136-I228 HydrophobicContact CD1-CG2 4.11Å; L136-I228 HydrophobicContact CD2-CD1 4.41Å; L136-I228 HydrophobicContact CG-CD1 4.3Å; L136-I228 HydrophobicContact CG-CG1 4.36Å
137	P	98.7	Very high	98.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.9	176.3	30.4	-36.6	0	0	0	111.1	H81 I82 F85 L142 Y144 F225	H81-P137 PolarHBondContact CE1-O 3.02Å; H81-P137 PolarHBondContact NE2-O 3.44Å; I82-P137 HydrophobicContact CD1-CG 4.31Å; F85-P137 HydrophobicContact CD1-CB 4.43Å; F85-P137 HydrophobicContact CD1-CG 3.77Å; F85-P137 HydrophobicContact CD2-CB 4.16Å; F85-P137 HydrophobicContact CD2-CG 3.88Å; F85-P137 WeakPolarHBondContact CD2-O 3.21Å; F85-P137 HydrophobicContact CE1-CB 4Å; F85-P137 HydrophobicContact CE1-CG 3.81Å; F85-P137 HydrophobicContact CE2-CB 3.71Å; F85-P137 HydrophobicContact CE2-CG 3.92Å; F85-P137 HydrophobicContact CG-CG 3.82Å; F85-P137 HydrophobicContact CZ-CB 3.63Å; F85-P137 HydrophobicContact CZ-CG 3.9Å; P137-L142 HydrophobicContact CB-CD1 4.01Å; P137-Y144 HydrophobicContact CB-CE2 4.43Å; P137-Y144 HydrophobicContact CG-CE2 4.13Å; P137-F225 HydrophobicContact CB-CD1 4.2Å; P137-F225 HydrophobicContact CB-CE1 4.03Å
138	L	98.5	Very high	98	Very high	85 Å²	85	31.5 Å²	31.5	45%	0.445	17%	0.172	S	C	.	.			trans	-109	-36.1	178.3	-62.2	178.2	0	0	0	112.3	S224 R226	L138-S224 PolarHBondContact N-O 2.97Å; L138-R226 HydrophobicContact CD1-CB 4.06Å; L138-R226 HydrophobicContact CD2-CB 4.06Å; L138-R226 HydrophobicContact CG-CB 4.18Å
139	N	98	Very high	97.9	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.123	19%	0.193	C	C	.	.			trans	-84.6	117.5	179.4	-177.2	-5.9	0	0	0	110.6	F85 N141 L142 T219 S224	F85-N139 WeakPolarHBondContact CZ-O 3.35Å; N139-N141 PolarHBondContact O-N 3.48Å; N139-N141 VanDerWaalsContact O-N 3.1Å; N139-N141 WeakPolarHBondContact OD1-CB 3.34Å; N139-N141 PolarHBondContact OD1-N 3.26Å; N139-L142 HydrophobicContact CB-CD1 4.02Å; N139-L142 HydrophobicContact CB-CG 4.12Å; N139-L142 VanDerWaalsContact O-CB 3.24Å; N139-L142 WeakPolarHBondContact O-CB 3.42Å; N139-L142 WeakPolarHBondContact O-CG 3.44Å; N139-L142 PolarHBondContact O-N 3.23Å; N139-T219 HydrophobicContact CB-CG2 4.27Å; N139-T219 WeakPolarHBondContact CB-OG1 3.45Å; N139-T219 PolarHBondContact ND2-OG1 3.1Å; N139-S224 PolarHBondContact N-O 3.39Å
140	L	97.1	Very high	97.8	Very high	90 Å²	90	35.3 Å²	35.3	47%	0.471	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.3	179.5	-70.8	174	0	0	0	114	F85 A88 Q89 L142	F85-L140 HydrophobicContact CD2-CD2 3.86Å; F85-L140 HydrophobicContact CE2-CD2 3.79Å; F85-L140 HydrophobicContact CE2-CG 4.5Å; F85-L140 HydrophobicContact CG-CD2 4.49Å; F85-L140 HydrophobicContact CZ-CD2 4.35Å; A88-L140 HydrophobicContact CB-CD1 4.46Å; A88-L140 HydrophobicContact CB-CD2 3.8Å; Q89-L140 PolarHBondContact NE2-O 3.24Å; L140-L142 PolarHBondContact O-N 3.48Å
141	N	97.2	Very high	97.8	Very high	113 Å²	113	35.2 Å²	35.2	60%	0.604	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.7	173.3	-65	-14.5	0	0	0	113.4	N139 S143 L217	N139-N141 PolarHBondContact O-N 3.48Å; N139-N141 VanDerWaalsContact O-N 3.1Å; N139-N141 WeakPolarHBondContact OD1-CB 3.34Å; N139-N141 PolarHBondContact OD1-N 3.26Å; N141-S143 PolarHBondContact O-N 3.09Å; N141-S143 VanDerWaalsContact O-N 3.08Å; N141-L217 HydrophobicContact CB-CD2 3.73Å
142	L	98	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-76.6	86	168.9	-67.4	167	0	0	0	109.3	F85 Q89 P137 N139 L140 Y144 V154 P214 L217 S224 F225	F85-L142 HydrophobicContact CZ-CB 4.3Å; Q89-L142 PolarHBondContact NE2-O 2.94Å; P137-L142 HydrophobicContact CB-CD1 4.01Å; N139-L142 HydrophobicContact CB-CD1 4.02Å; N139-L142 HydrophobicContact CB-CG 4.12Å; N139-L142 VanDerWaalsContact O-CB 3.24Å; N139-L142 WeakPolarHBondContact O-CB 3.42Å; N139-L142 WeakPolarHBondContact O-CG 3.44Å; N139-L142 PolarHBondContact O-N 3.23Å; L140-L142 PolarHBondContact O-N 3.48Å; L142-Y144 WeakPolarHBondContact O-CD2 3.28Å; L142-V154 HydrophobicContact CB-CG1 3.83Å; L142-V154 HydrophobicContact CD2-CG1 4.27Å; L142-V154 WeakPolarHBondContact CD2-O 3.19Å; L142-P214 HydrophobicContact CD2-CB 4.41Å; L142-P214 HydrophobicContact CD2-CG 3.89Å; L142-L217 HydrophobicContact CD2-CD1 3.61Å; L142-L217 HydrophobicContact CG-CD1 4.2Å; L142-S224 WeakPolarHBondContact CD1-O 3.42Å; L142-F225 HydrophobicContact CD1-CD1 4.32Å; L142-F225 HydrophobicContact CD1-CD2 4.48Å; L142-F225 HydrophobicContact CD1-CE1 3.69Å; L142-F225 HydrophobicContact CD1-CE2 3.89Å; L142-F225 HydrophobicContact CD1-CZ 3.44Å; L142-F225 VanDerWaalsContact CD1-CZ 3.44Å; L142-F225 HydrophobicContact CD2-CE2 4.2Å; L142-F225 HydrophobicContact CD2-CZ 3.84Å; L142-F225 HydrophobicContact CG-CZ 4.23Å
143	S	97.6	Very high	97.8	Very high	47 Å²	47	34.8 Å²	34.8	33%	0.329	19%	0.192	S	C	.	.			trans	-64.3	136	-171	-174.1	0	0	0	0	113.4	N141 G145 Y152 V154	N141-S143 PolarHBondContact O-N 3.09Å; N141-S143 VanDerWaalsContact O-N 3.08Å; S143-G145 PolarHBondContact OG-N 2.92Å; S143-Y152 WeakPolarHBondContact O-CE1 3.45Å; S143-V154 WeakPolarHBondContact O-CG2 3.21Å
144	Y	98.5	Very high	97.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.			trans	-105.5	13.7	163.9	-78.5	-116.9	0	0	0	112	L62 I82 F85 L86 L91 Y127 A129 H131 P137 L142 V154 I172 V174	L62-Y144 HydrophobicContact CD2-CD1 4.23Å; I82-Y144 HydrophobicContact CD1-CE1 4.06Å; F85-Y144 HydrophobicContact CD1-CD2 4.35Å; F85-Y144 HydrophobicContact CD1-CE2 4.24Å; F85-Y144 AromaticContact CE1-CD2 3.78Å; F85-Y144 HydrophobicContact CE1-CD2 3.78Å; F85-Y144 AromaticContact CE1-CE2 3.72Å; F85-Y144 HydrophobicContact CE1-CE2 3.72Å; L86-Y144 VanDerWaalsContact CD2-CB 3.47Å; L86-Y144 HydrophobicContact CD2-CD1 3.77Å; L86-Y144 HydrophobicContact CD2-CD2 4.14Å; L86-Y144 HydrophobicContact CD2-CE1 4.5Å; L86-Y144 HydrophobicContact CD2-CG 3.55Å; L91-Y144 VanDerWaalsContact CD1-C 3.42Å; Y127-Y144 WeakPolarHBondContact CE2-O 3.44Å; Y127-Y144 PolarHBondContact OH-O 3.02Å; A129-Y144 HydrophobicContact CB-CD1 3.95Å; A129-Y144 HydrophobicContact CB-CE1 3.98Å; H131-Y144 AromaticContact CD2-CE1 3.76Å; H131-Y144 AromaticContact CD2-CZ 3.97Å; H131-Y144 PolarHBondContact CD2-OH 2.87Å; H131-Y144 VanDerWaalsContact CD2-OH 3.29Å; H131-Y144 AromaticContact NE2-CZ 3.8Å; H131-Y144 PolarHBondContact NE2-OH 3.44Å; P137-Y144 HydrophobicContact CB-CE2 4.43Å; P137-Y144 HydrophobicContact CG-CE2 4.13Å; L142-Y144 WeakPolarHBondContact O-CD2 3.28Å; Y144-V154 HydrophobicContact CD2-CG1 4.48Å; Y144-V154 HydrophobicContact CE2-CG1 3.93Å; Y144-I172 HydrophobicContact CE1-CG2 3.99Å; Y144-I172 WeakPolarHBondContact OH-CD1 3.48Å; Y144-V174 HydrophobicContact CD1-CG2 4.42Å
145	G	97.4	Very high	97.8	Very high	12 Å²	12	33.5 Å²	33.5	12%	0.124	19%	0.185	C	C	.	.	S	Bend	trans	-67	169.2	178.6	0	0	0	0	0	113.1	Y127 S143	Y127-G145 VanDerWaalsContact CE2-C 3.44Å; Y127-G145 WeakPolarHBondContact CE2-O 3.09Å; S143-G145 PolarHBondContact OG-N 2.92Å
146	F	97.6	Very high	97.7	Very high	61 Å²	61	33.4 Å²	33.4	27%	0.268	19%	0.185	S	C	.	.			trans	-57.4	126.6	179.2	-172.9	-91.9	0	0	0	111	H60 Y127 D148 T176	H60-F146 HydrophobicContact CB-CB 4.17Å; H60-F146 HydrophobicContact CB-CD2 4.1Å; H60-F146 HydrophobicContact CB-CG 4.45Å; H60-F146 AromaticContact CD2-CG 3.8Å; H60-F146 AromaticContact CE1-CD1 3.83Å; H60-F146 AromaticContact CE1-CD2 3.53Å; H60-F146 AromaticContact CE1-CE1 3.93Å; H60-F146 AromaticContact CE1-CE2 3.62Å; H60-F146 AromaticContact CE1-CG 3.63Å; H60-F146 AromaticContact CE1-CZ 3.81Å; H60-F146 AromaticContact CG-CD2 3.56Å; H60-F146 AromaticContact CG-CG 3.73Å; H60-F146 AromaticContact ND1-CD2 3.19Å; H60-F146 WeakPolarHBondContact ND1-CD2 3.34Å; H60-F146 AromaticContact ND1-CE2 3.46Å; H60-F146 WeakPolarHBondContact ND1-CE2 3.41Å; H60-F146 AromaticContact ND1-CG 3.64Å; H60-F146 AromaticContact NE2-CD1 3.92Å; H60-F146 AromaticContact NE2-CG 3.78Å; Y127-F146 AromaticContact CD1-CD2 3.78Å; Y127-F146 HydrophobicContact CD1-CD2 3.78Å; Y127-F146 HydrophobicContact CD2-CD2 4.36Å; Y127-F146 HydrophobicContact CE1-CB 4.49Å; Y127-F146 HydrophobicContact CE1-CD2 4.31Å; Y127-F146 HydrophobicContact CE2-CB 4.39Å; Y127-F146 AromaticContact CG-CD2 3.79Å; Y127-F146 HydrophobicContact CG-CD2 3.79Å; Y127-F146 HydrophobicContact CG-CE2 4.45Å; F146-D148 PolarHBondContact O-N 3.3Å; F146-T176 HydrophobicContact CD2-CG2 4.39Å; F146-T176 HydrophobicContact CE1-CG2 3.97Å; F146-T176 HydrophobicContact CE2-CG2 3.65Å; F146-T176 HydrophobicContact CZ-CG2 3.4Å; F146-T176 VanDerWaalsContact CZ-CG2 3.4Å
147	P	97.1	Very high	97.6	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.045	19%	0.185	C	C	.	.			trans	-86.8	101.3	-178.5	33.2	-33.1	0	0	0	110.4	T149 G150 V174 T176	P147-T149 PolarHBondContact O-N 3.35Å; P147-T149 VanDerWaalsContact O-N 3.07Å; P147-G150 WeakPolarHBondContact O-CA 3.44Å; P147-G150 PolarHBondContact O-N 3.06Å; P147-V174 HydrophobicContact CG-CG1 3.95Å; P147-T176 HydrophobicContact CG-CG2 3.93Å
148	D	95.1	Very high	97.6	Very high	149 Å²	149	38 Å²	38	80%	0.797	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.2	-179.5	-65.6	-45.3	0	0	0	113.5	F146 G150	F146-D148 PolarHBondContact O-N 3.3Å; D148-G150 PolarHBondContact O-N 2.94Å
149	T	95.1	Very high	97.5	Very high	72 Å²	72	35 Å²	35	44%	0.442	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.8	174.8	64.8	0	0	0	0	113.6	P147 V151 S212	P147-T149 PolarHBondContact O-N 3.35Å; P147-T149 VanDerWaalsContact O-N 3.07Å; T149-V151 PolarHBondContact O-N 3.17Å; T149-V151 PolarHBondContact OG1-O 3.15Å; T149-V151 VanDerWaalsContact OG1-O 3.1Å; T149-S212 PolarHBondContact OG1-OG 3.34Å; T149-S212 VanDerWaalsContact OG1-OG 3.14Å
150	G	98	Very high	97.5	Very high	9 Å²	9	34.1 Å²	34.1	9%	0.093	18%	0.184	C	C	.	.	S	Bend	trans	85.1	-31	-174.3	0	0	0	0	0	114.3	P147 D148 V175 T176	P147-G150 WeakPolarHBondContact O-CA 3.44Å; P147-G150 PolarHBondContact O-N 3.06Å; D148-G150 PolarHBondContact O-N 2.94Å; G150-V175 WeakPolarHBondContact O-CA 3.2Å; G150-T176 PolarHBondContact O-N 2.84Å
151	V	98.6	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	128.2	-174.3	-170.7	0	0	0	0	111.9	T149 L173 V174 V175 L204 V211 S212	T149-V151 PolarHBondContact O-N 3.17Å; T149-V151 PolarHBondContact OG1-O 3.15Å; T149-V151 VanDerWaalsContact OG1-O 3.1Å; V151-L173 HydrophobicContact CG1-CD1 3.59Å; V151-L173 HydrophobicContact CG1-CD2 4.35Å; V151-L173 HydrophobicContact CG1-CG 4.13Å; V151-V174 WeakPolarHBondContact CA-O 3.27Å; V151-V175 HydrophobicContact CG2-CG2 4.11Å; V151-L204 HydrophobicContact CG1-CD1 4.03Å; V151-L204 HydrophobicContact CG2-CD1 4.24Å; V151-L204 HydrophobicContact CG2-CD2 3.9Å; V151-V211 HydrophobicContact CG1-CG1 4.33Å; V151-V211 HydrophobicContact CG1-CG2 4.12Å; V151-S212 PolarHBondContact O-N 3.09Å; V151-S212 VanDerWaalsContact O-N 3.1Å; V151-S212 PolarHBondContact O-OG 2.73Å
152	Y	98.6	Very high	97.4	Very high	33 Å²	33	29.9 Å²	29.9	13%	0.129	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	118.7	173.5	179.8	-104.6	0	0	0	111.2	S143 V154 V174 S212 P214	S143-Y152 WeakPolarHBondContact O-CE1 3.45Å; Y152-V154 HydrophobicContact CD1-CG2 3.69Å; Y152-V154 HydrophobicContact CE1-CB 4.33Å; Y152-V154 HydrophobicContact CE1-CG2 3.81Å; Y152-V154 PolarHBondContact O-N 3.08Å; Y152-V174 PolarHBondContact N-O 3.03Å; Y152-V174 PolarHBondContact O-N 3.34Å; Y152-S212 CarbonylContact C-O 3.49Å; Y152-S212 WeakPolarHBondContact CA-O 3.45Å; Y152-S212 WeakPolarHBondContact CD2-OG 3.45Å; Y152-P214 WeakPolarHBondContact OH-CB 3.26Å; Y152-P214 WeakPolarHBondContact OH-CD 3.46Å; Y152-P214 VanDerWaalsContact OH-CG 3.26Å; Y152-P214 WeakPolarHBondContact OH-CG 3.43Å
153	H	98.6	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	97.7	179.5	-178.7	-143.4	0	0	0	110.3	S155 Y168 I169 G170 I172 L173 V211 S212 R213 P214	H153-S155 PolarHBondContact CE1-O 3.19Å; H153-S155 PolarHBondContact NE2-O 3.07Å; H153-S155 VanDerWaalsContact NE2-O 3.17Å; H153-S155 PolarHBondContact NE2-OG 3.41Å; H153-Y168 AromaticContact CE1-CD1 3.76Å; H153-Y168 PolarHBondContact CE1-O 3.09Å; H153-Y168 PolarHBondContact ND1-O 3.33Å; H153-I169 WeakPolarHBondContact NE2-CA 3.47Å; H153-G170 PolarHBondContact NE2-O 2.93Å; H153-I172 PolarHBondContact CD2-O 2.68Å; H153-I172 VanDerWaalsContact CD2-O 3.28Å; H153-L173 HydrophobicContact CB-CD1 3.64Å; H153-V211 HydrophobicContact CB-CG1 3.5Å; H153-V211 VanDerWaalsContact CB-CG1 3.5Å; H153-S212 PolarHBondContact N-O 3.03Å; H153-R213 HydrophobicContact CB-CG 3.96Å; H153-R213 PolarHBondContact ND1-NE 3.35Å; H153-P214 WeakPolarHBondContact O-CD 3.29Å
154	V	98.6	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-47.4	-175.4	-175.3	0	0	0	0	110.6	L142 S143 Y144 Y152 S156 I172 V174 P214 F225	L142-V154 HydrophobicContact CB-CG1 3.83Å; L142-V154 HydrophobicContact CD2-CG1 4.27Å; L142-V154 WeakPolarHBondContact CD2-O 3.19Å; S143-V154 WeakPolarHBondContact O-CG2 3.21Å; Y144-V154 HydrophobicContact CD2-CG1 4.48Å; Y144-V154 HydrophobicContact CE2-CG1 3.93Å; Y152-V154 HydrophobicContact CD1-CG2 3.69Å; Y152-V154 HydrophobicContact CE1-CB 4.33Å; Y152-V154 HydrophobicContact CE1-CG2 3.81Å; Y152-V154 PolarHBondContact O-N 3.08Å; V154-S156 PolarHBondContact O-N 2.95Å; V154-S156 VanDerWaalsContact O-N 3.09Å; V154-I172 HydrophobicContact CB-CB 3.99Å; V154-I172 HydrophobicContact CB-CG2 3.65Å; V154-I172 HydrophobicContact CG1-CG2 4.18Å; V154-I172 HydrophobicContact CG2-CG2 3.74Å; V154-I172 PolarHBondContact N-O 2.82Å; V154-V174 HydrophobicContact CG2-CG2 3.55Å; V154-P214 WeakPolarHBondContact O-CG 3.43Å; V154-F225 HydrophobicContact CG1-CZ 4.36Å
155	S	98.2	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	56.3	-177.4	68.9	0	0	0	0	112	H153 G170 I172 F225	H153-S155 PolarHBondContact CE1-O 3.19Å; H153-S155 PolarHBondContact NE2-O 3.07Å; H153-S155 VanDerWaalsContact NE2-O 3.17Å; H153-S155 PolarHBondContact NE2-OG 3.41Å; S155-G170 PolarHBondContact OG-O 2.98Å; S155-I172 PolarHBondContact N-O 2.87Å; S155-I172 PolarHBondContact OG-N 3.25Å; S155-F225 VanDerWaalsContact CA-CZ 3.49Å
156	S	97.2	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.			trans	-60.7	155.3	-174.9	81.6	0	0	0	0	112.9	V154 E158 Y159 H160	V154-S156 PolarHBondContact O-N 2.95Å; V154-S156 VanDerWaalsContact O-N 3.09Å; S156-E158 WeakPolarHBondContact CB-OE2 3.45Å; S156-E158 PolarHBondContact O-N 3.03Å; S156-E158 VanDerWaalsContact O-N 3.07Å; S156-E158 PolarHBondContact OG-OE2 2.85Å; S156-Y159 CarbonylContact O-C 3.58Å; S156-Y159 PolarHBondContact O-N 2.74Å; S156-Y159 WeakPolarHBondContact OG-CD2 3.32Å; S156-H160 PolarHBondContact O-N 2.93Å
157	P	97.2	Very high	96.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.013	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.3	-172.9	-25.6	34.6	0	0	0	114.7	Y159 Y163 H164 Y165 Y168	P157-Y159 VanDerWaalsContact C-N 3.26Å; P157-Y159 PolarHBondContact O-N 3.46Å; P157-Y163 WeakPolarHBondContact CA-O 3.35Å; P157-H164 PolarHBondContact O-ND1 2.71Å; P157-Y165 VanDerWaalsContact CG-O 3.26Å; P157-Y165 WeakPolarHBondContact CG-O 3.39Å; P157-Y168 HydrophobicContact CG-CD1 4.23Å
158	E	96.7	Very high	96.7	Very high	96 Å²	96	48.2 Å²	48.2	45%	0.449	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.8	179	-56.2	76.6	-165.1	0	0	112.2	S156	S156-E158 WeakPolarHBondContact CB-OE2 3.45Å; S156-E158 PolarHBondContact O-N 3.03Å; S156-E158 VanDerWaalsContact O-N 3.07Å; S156-E158 PolarHBondContact OG-OE2 2.85Å
159	Y	97.7	Very high	96.9	Very high	20 Å²	20	41.3 Å²	41.3	8%	0.078	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-12.6	-175.1	-53.3	-63.7	0	0	0	113.5	S156 P157 P214 N216 L217 T219 S221 S224 F225	S156-Y159 CarbonylContact O-C 3.58Å; S156-Y159 PolarHBondContact O-N 2.74Å; S156-Y159 WeakPolarHBondContact OG-CD2 3.32Å; P157-Y159 VanDerWaalsContact C-N 3.26Å; P157-Y159 PolarHBondContact O-N 3.46Å; Y159-P214 HydrophobicContact CD2-CB 4.32Å; Y159-P214 HydrophobicContact CD2-CG 4.32Å; Y159-P214 HydrophobicContact CE2-CB 3.91Å; Y159-P214 HydrophobicContact CE2-CG 4.36Å; Y159-N216 PolarHBondContact OH-N 2.89Å; Y159-L217 HydrophobicContact CD1-CB 4.32Å; Y159-L217 HydrophobicContact CD1-CD1 3.96Å; Y159-L217 HydrophobicContact CD1-CG 4.5Å; Y159-L217 HydrophobicContact CD2-CD1 3.77Å; Y159-L217 HydrophobicContact CD2-CG 4.5Å; Y159-L217 HydrophobicContact CE1-CB 3.58Å; Y159-L217 HydrophobicContact CE1-CD1 3.84Å; Y159-L217 HydrophobicContact CE1-CG 3.88Å; Y159-L217 HydrophobicContact CE2-CB 4.5Å; Y159-L217 HydrophobicContact CE2-CD1 3.66Å; Y159-L217 HydrophobicContact CE2-CG 3.89Å; Y159-L217 HydrophobicContact CG-CD1 3.95Å; Y159-L217 PolarHBondContact OH-N 3.14Å; Y159-L217 VanDerWaalsContact OH-N 3.17Å; Y159-T219 WeakPolarHBondContact CD1-O 3.25Å; Y159-T219 VanDerWaalsContact CE1-O 3.28Å; Y159-T219 WeakPolarHBondContact CE1-O 3.42Å; Y159-S221 WeakPolarHBondContact O-CA 3.48Å; Y159-S224 WeakPolarHBondContact CD1-OG 3.38Å; Y159-F225 WeakPolarHBondContact O-CD2 3.11Å
160	H	98	Very high	97	Very high	5 Å²	5	38 Å²	38	2%	0.023	18%	0.181	C	C	.	.			trans	-66.7	140.3	178.8	-166.6	-86.3	0	0	0	110.4	S156 L162 Y163 H164 Y168 S221	S156-H160 PolarHBondContact O-N 2.93Å; H160-L162 VanDerWaalsContact C-N 3.3Å; H160-L162 PolarHBondContact ND1-N 2.86Å; H160-L162 PolarHBondContact O-N 3.17Å; H160-Y163 WeakPolarHBondContact CB-O 3.47Å; H160-Y163 AromaticContact CE1-CD2 3.2Å; H160-Y163 WeakPolarHBondContact CE1-CD2 3.28Å; H160-Y163 AromaticContact CE1-CE2 3.74Å; H160-Y163 AromaticContact ND1-CD2 3.51Å; H160-Y163 AromaticContact ND1-CG 3.99Å; H160-Y163 PolarHBondContact ND1-N 3.49Å; H160-Y163 VanDerWaalsContact ND1-N 3.12Å; H160-Y163 AromaticContact NE2-CD2 3.9Å; H160-H164 PolarHBondContact O-CE1 3.49Å; H160-Y168 HydrophobicContact CB-CE1 4.17Å; H160-Y168 AromaticContact CD2-CE1 3.63Å; H160-Y168 AromaticContact CD2-CZ 3.89Å; H160-Y168 PolarHBondContact CD2-OH 3.05Å; H160-Y168 AromaticContact CG-CE1 3.75Å; H160-Y168 AromaticContact NE2-CZ 3.95Å; H160-Y168 PolarHBondContact NE2-OH 2.81Å; H160-S221 WeakPolarHBondContact O-CB 3.48Å
161	P	96.9	Very high	97	Very high	34 Å²	34	37.6 Å²	37.6	22%	0.221	18%	0.177	C	C	.	.	S	Bend	trans	-70.1	-19.6	-177.2	23.4	-33.1	0	0	0	115.1	L135 H227	L135-P161 HydrophobicContact CD1-CG 3.81Å; P161-H227 HydrophobicContact CB-CB 4.43Å; P161-H227 HydrophobicContact CG-CB 3.9Å
162	L	95.9	Very high	97	Very high	81 Å²	81	37.6 Å²	37.6	42%	0.424	18%	0.177	S	C	.	.	S	Bend	trans	-132.5	-18.4	-171.6	-62.7	178.7	0	0	0	117	H160	H160-L162 VanDerWaalsContact C-N 3.3Å; H160-L162 PolarHBondContact ND1-N 2.86Å; H160-L162 PolarHBondContact O-N 3.17Å
163	Y	95.8	Very high	97	Very high	51 Å²	51	36.2 Å²	36.2	20%	0.2	17%	0.172	C	C	.	.			trans	-132.6	111.9	-166.3	-58.8	-61	0	0	0	109.6	P157 H160 Y168 W193 R236	P157-Y163 WeakPolarHBondContact CA-O 3.35Å; H160-Y163 WeakPolarHBondContact CB-O 3.47Å; H160-Y163 AromaticContact CE1-CD2 3.2Å; H160-Y163 WeakPolarHBondContact CE1-CD2 3.28Å; H160-Y163 AromaticContact CE1-CE2 3.74Å; H160-Y163 AromaticContact ND1-CD2 3.51Å; H160-Y163 AromaticContact ND1-CG 3.99Å; H160-Y163 PolarHBondContact ND1-N 3.49Å; H160-Y163 VanDerWaalsContact ND1-N 3.12Å; H160-Y163 AromaticContact NE2-CD2 3.9Å; Y163-Y168 HydrophobicContact CD2-CD2 4.48Å; Y163-Y168 HydrophobicContact CD2-CE1 4.29Å; Y163-Y168 AromaticContact CD2-CE2 3.65Å; Y163-Y168 HydrophobicContact CD2-CE2 3.65Å; Y163-Y168 AromaticContact CD2-CZ 3.54Å; Y163-Y168 WeakPolarHBondContact CD2-OH 3.44Å; Y163-Y168 HydrophobicContact CE2-CE2 4.49Å; Y163-Y168 HydrophobicContact CG-CD2 4.33Å; Y163-Y168 AromaticContact CG-CE2 3.94Å; Y163-Y168 HydrophobicContact CG-CE2 3.94Å; Y163-W193 HydrophobicContact CE1-CZ2 4.26Å; Y163-W193 AromaticContact CZ-CZ2 3.93Å; Y163-W193 VanDerWaalsContact OH-CZ2 3.22Å; Y163-W193 WeakPolarHBondContact OH-CZ2 3.47Å; Y163-R236 PolarHBondContact OH-NH2 2.88Å
164	H	96.1	Very high	97	Very high	106 Å²	106	36.2 Å²	36.2	49%	0.491	17%	0.172	S	C	.	.			trans	-120.8	16.4	-165.3	-54	-66.3	0	0	0	114.3	P157 H160	P157-H164 PolarHBondContact O-ND1 2.71Å; H160-H164 PolarHBondContact O-CE1 3.49Å
165	Y	95.8	Very high	97	Very high	91 Å²	91	36.2 Å²	36.2	36%	0.357	17%	0.172	S	C	.	.			trans	-96.1	144.7	-177.7	68.5	-86.2	0	0	0	112.3	P157 K167 Y168 D198	P157-Y165 VanDerWaalsContact CG-O 3.26Å; P157-Y165 WeakPolarHBondContact CG-O 3.39Å; Y165-K167 VanDerWaalsContact C-N 3.28Å; Y165-K167 HydrophobicContact CD2-CB 4.1Å; Y165-K167 HydrophobicContact CE2-CB 4.09Å; Y165-K167 PolarHBondContact O-N 3.28Å; Y165-K167 VanDerWaalsContact O-N 3.1Å; Y165-Y168 AromaticContact CE1-CD2 3.96Å; Y165-Y168 HydrophobicContact CE1-CD2 3.96Å; Y165-Y168 HydrophobicContact CE1-CG 4.09Å; Y165-Y168 AromaticContact CZ-CD2 3.92Å; Y165-Y168 WeakPolarHBondContact O-CB 3.19Å; Y165-Y168 PolarHBondContact O-N 2.69Å; Y165-D198 WeakPolarHBondContact CE2-OD1 3.39Å; Y165-D198 PolarHBondContact OH-OD1 2.93Å; Y165-D198 PolarHBondContact OH-OD2 2.9Å
166	N	92.2	Very high	97.1	Very high	127 Å²	127	36.7 Å²	36.7	68%	0.679	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.9	-167.9	-67.5	-9.1	0	0	0	115.2	Y168 R213	N166-Y168 VanDerWaalsContact C-N 3.32Å; N166-R213 PolarHBondContact O-NH1 3.48Å; N166-R213 VanDerWaalsContact O-NH1 3.09Å; N166-R213 PolarHBondContact O-NH2 3.41Å
167	K	94.1	Very high	97.1	Very high	128 Å²	128	37.5 Å²	37.5	56%	0.557	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.2	-177.6	-62.9	-178.3	-179.8	178.1	0	114.1	Y165 I169 F201	Y165-K167 VanDerWaalsContact C-N 3.28Å; Y165-K167 HydrophobicContact CD2-CB 4.1Å; Y165-K167 HydrophobicContact CE2-CB 4.09Å; Y165-K167 PolarHBondContact O-N 3.28Å; Y165-K167 VanDerWaalsContact O-N 3.1Å; K167-I169 PolarHBondContact O-N 2.83Å; K167-F201 HydrophobicContact CB-CD1 4.16Å; K167-F201 HydrophobicContact CB-CE1 4.15Å; K167-F201 HydrophobicContact CD-CE1 4.34Å; K167-F201 HydrophobicContact CG-CD1 4.32Å; K167-F201 HydrophobicContact CG-CE1 3.89Å; K167-F201 HydrophobicContact CG-CZ 4.43Å
168	Y	97	Very high	97.2	Very high	8 Å²	8	45.2 Å²	45.2	3%	0.031	21%	0.214	C	C	.	.			trans	-63.7	127.3	-178.9	174.8	-115.6	0	0	0	111.2	H153 P157 H160 Y163 Y165 N166 G170 G171 D197 R213	H153-Y168 AromaticContact CE1-CD1 3.76Å; H153-Y168 PolarHBondContact CE1-O 3.09Å; H153-Y168 PolarHBondContact ND1-O 3.33Å; P157-Y168 HydrophobicContact CG-CD1 4.23Å; H160-Y168 HydrophobicContact CB-CE1 4.17Å; H160-Y168 AromaticContact CD2-CE1 3.63Å; H160-Y168 AromaticContact CD2-CZ 3.89Å; H160-Y168 PolarHBondContact CD2-OH 3.05Å; H160-Y168 AromaticContact CG-CE1 3.75Å; H160-Y168 AromaticContact NE2-CZ 3.95Å; H160-Y168 PolarHBondContact NE2-OH 2.81Å; Y163-Y168 HydrophobicContact CD2-CD2 4.48Å; Y163-Y168 HydrophobicContact CD2-CE1 4.29Å; Y163-Y168 AromaticContact CD2-CE2 3.65Å; Y163-Y168 HydrophobicContact CD2-CE2 3.65Å; Y163-Y168 AromaticContact CD2-CZ 3.54Å; Y163-Y168 WeakPolarHBondContact CD2-OH 3.44Å; Y163-Y168 HydrophobicContact CE2-CE2 4.49Å; Y163-Y168 HydrophobicContact CG-CD2 4.33Å; Y163-Y168 AromaticContact CG-CE2 3.94Å; Y163-Y168 HydrophobicContact CG-CE2 3.94Å; Y165-Y168 AromaticContact CE1-CD2 3.96Å; Y165-Y168 HydrophobicContact CE1-CD2 3.96Å; Y165-Y168 HydrophobicContact CE1-CG 4.09Å; Y165-Y168 AromaticContact CZ-CD2 3.92Å; Y165-Y168 WeakPolarHBondContact O-CB 3.19Å; Y165-Y168 PolarHBondContact O-N 2.69Å; N166-Y168 VanDerWaalsContact C-N 3.32Å; Y168-G170 VanDerWaalsContact CE2-CA 3.49Å; Y168-G170 VanDerWaalsContact CZ-C 3.43Å; Y168-G170 PolarHBondContact OH-O 3.39Å; Y168-G171 PolarHBondContact OH-N 2.8Å; Y168-D197 WeakPolarHBondContact CD2-OD2 3.46Å; Y168-R213 PolarHBondContact O-NH2 2.94Å
169	I	97.9	Very high	97.3	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	20%	0.195	C	C	.	.			trans	-133.9	15.9	174.1	64.2	169.3	0	0	0	113	H153 K167 L173 D197 F200 F201 L204 V211	H153-I169 WeakPolarHBondContact NE2-CA 3.47Å; K167-I169 PolarHBondContact O-N 2.83Å; I169-L173 HydrophobicContact CB-CD2 4.46Å; I169-L173 HydrophobicContact CD1-CD2 4.07Å; I169-D197 WeakPolarHBondContact CD1-O 3.44Å; I169-D197 HydrophobicContact CG1-CB 4.15Å; I169-D197 VanDerWaalsContact CG1-O 3.31Å; I169-D197 WeakPolarHBondContact CG1-O 3.46Å; I169-F200 HydrophobicContact CD1-CB 4.39Å; I169-F200 HydrophobicContact CD1-CD1 3.66Å; I169-F200 HydrophobicContact CD1-CE1 4.47Å; I169-F200 HydrophobicContact CD1-CG 4.46Å; I169-F201 VanDerWaalsContact CD1-CA 3.47Å; I169-F201 HydrophobicContact CD1-CB 3.58Å; I169-F201 HydrophobicContact CD1-CD2 4.31Å; I169-F201 HydrophobicContact CD1-CG 4.47Å; I169-F201 HydrophobicContact CG1-CB 3.98Å; I169-F201 HydrophobicContact CG2-CD2 3.77Å; I169-L204 HydrophobicContact CD1-CD1 3.91Å; I169-V211 HydrophobicContact CG2-CG1 4.23Å; I169-V211 HydrophobicContact CG2-CG2 4.4Å
170	G	97.7	Very high	97.4	Very high	4 Å²	4	39.9 Å²	39.9	4%	0.041	19%	0.191	C	C	.	.			trans	-72.6	-174.2	172.9	0	0	0	0	0	113.4	H153 S155 Y168 I172 D197	H153-G170 PolarHBondContact NE2-O 2.93Å; S155-G170 PolarHBondContact OG-O 2.98Å; Y168-G170 VanDerWaalsContact CE2-CA 3.49Å; Y168-G170 VanDerWaalsContact CZ-C 3.43Å; Y168-G170 PolarHBondContact OH-O 3.39Å; G170-I172 PolarHBondContact O-N 3.43Å; G170-D197 PolarHBondContact N-OD2 3.3Å; G170-D197 VanDerWaalsContact N-OD2 3.11Å
171	G	98.2	Very high	97.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	78.7	-96	-177	0	0	0	0	0	111.5	R109 D132 Y168	R109-G171 PolarHBondContact NH2-O 3.47Å; D132-G171 PolarHBondContact N-O 2.94Å; D132-G171 WeakPolarHBondContact OD2-CA 3.23Å; Y168-G171 PolarHBondContact OH-N 2.8Å
172	I	98.8	Very high	97.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.4	-176.1	-56.2	155.4	0	0	0	110.3	M130 L135 Y144 H153 V154 S155 G170 F225	M130-I172 VanDerWaalsContact O-CA 3.29Å; M130-I172 WeakPolarHBondContact O-CA 3.44Å; L135-I172 HydrophobicContact CB-CD1 4.44Å; L135-I172 HydrophobicContact CD2-CD1 3.86Å; L135-I172 HydrophobicContact CD2-CG1 4.09Å; L135-I172 HydrophobicContact CG-CD1 4.02Å; Y144-I172 HydrophobicContact CE1-CG2 3.99Å; Y144-I172 WeakPolarHBondContact OH-CD1 3.48Å; H153-I172 PolarHBondContact CD2-O 2.68Å; H153-I172 VanDerWaalsContact CD2-O 3.28Å; V154-I172 HydrophobicContact CB-CB 3.99Å; V154-I172 HydrophobicContact CB-CG2 3.65Å; V154-I172 HydrophobicContact CG1-CG2 4.18Å; V154-I172 HydrophobicContact CG2-CG2 3.74Å; V154-I172 PolarHBondContact N-O 2.82Å; S155-I172 PolarHBondContact N-O 2.87Å; S155-I172 PolarHBondContact OG-N 3.25Å; G170-I172 PolarHBondContact O-N 3.43Å; I172-F225 HydrophobicContact CD1-CD1 4.09Å; I172-F225 HydrophobicContact CD1-CE1 3.58Å
173	L	98.8	Very high	97.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.1	179	-172.3	66.9	0	0	0	109.8	A129 M130 V151 H153 I169 F200	A129-L173 CarbonylContact C-O 3.56Å; A129-L173 WeakPolarHBondContact CA-O 3.24Å; M130-L173 HydrophobicContact CB-CB 4.45Å; M130-L173 HydrophobicContact CE-CB 4.34Å; M130-L173 HydrophobicContact CE-CD2 3.63Å; M130-L173 HydrophobicContact CE-CG 4.11Å; M130-L173 PolarHBondContact N-O 3.35Å; M130-L173 PolarHBondContact O-N 3.01Å; M130-L173 HydrophobicContact SD-CB 4.41Å; M130-L173 HydrophobicContact SD-CD2 4.2Å; V151-L173 HydrophobicContact CG1-CD1 3.59Å; V151-L173 HydrophobicContact CG1-CD2 4.35Å; V151-L173 HydrophobicContact CG1-CG 4.13Å; H153-L173 HydrophobicContact CB-CD1 3.64Å; I169-L173 HydrophobicContact CB-CD2 4.46Å; I169-L173 HydrophobicContact CD1-CD2 4.07Å; L173-F200 HydrophobicContact CD2-CD1 3.98Å; L173-F200 HydrophobicContact CD2-CE1 3.69Å
174	V	98.8	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.7	174.5	-178.2	0	0	0	0	108.4	Y127 F128 A129 Y144 P147 V151 Y152 V154	Y127-V174 HydrophobicContact CD2-CG1 3.54Å; Y127-V174 HydrophobicContact CE2-CG1 3.86Å; F128-V174 WeakPolarHBondContact O-CA 3.11Å; A129-V174 HydrophobicContact CB-CG2 3.99Å; Y144-V174 HydrophobicContact CD1-CG2 4.42Å; P147-V174 HydrophobicContact CG-CG1 3.95Å; V151-V174 WeakPolarHBondContact CA-O 3.27Å; Y152-V174 PolarHBondContact N-O 3.03Å; Y152-V174 PolarHBondContact O-N 3.34Å; V154-V174 HydrophobicContact CG2-CG2 3.55Å
175	V	98.8	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142.2	-176.4	64.9	0	0	0	0	110.7	Y127 F128 M130 G150 V151 A179 F180	Y127-V175 WeakPolarHBondContact CA-O 3.14Å; Y127-V175 WeakPolarHBondContact CB-O 3.02Å; F128-V175 HydrophobicContact CD1-CG1 3.7Å; F128-V175 HydrophobicContact CE1-CG1 3.26Å; F128-V175 HydrophobicContact CE2-CG1 4.23Å; F128-V175 HydrophobicContact CG-CG1 4.37Å; F128-V175 HydrophobicContact CZ-CG1 3.57Å; F128-V175 PolarHBondContact N-O 2.04Å; F128-V175 PolarHBondContact O-N 3.46Å; M130-V175 HydrophobicContact CE-CB 4.05Å; M130-V175 HydrophobicContact CE-CG1 3.4Å; G150-V175 WeakPolarHBondContact O-CA 3.2Å; V151-V175 HydrophobicContact CG2-CG2 4.11Å; V175-A179 HydrophobicContact CG2-CB 4Å; V175-F180 HydrophobicContact CG1-CB 4.25Å; V175-F180 HydrophobicContact CG1-CD2 3.99Å; V175-F180 HydrophobicContact CG1-CG 4.47Å; V175-F180 HydrophobicContact CG2-CB 4.03Å; V175-F180 HydrophobicContact CG2-CD2 4.44Å
176	T	98.8	Very high	98	Very high	9 Å²	9	32.1 Å²	32.1	6%	0.055	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	148.8	170.4	66.7	0	0	0	0	110.2	F146 P147 G150 E178 A179 F180	F146-T176 HydrophobicContact CD2-CG2 4.39Å; F146-T176 HydrophobicContact CE1-CG2 3.97Å; F146-T176 HydrophobicContact CE2-CG2 3.65Å; F146-T176 HydrophobicContact CZ-CG2 3.4Å; F146-T176 VanDerWaalsContact CZ-CG2 3.4Å; P147-T176 HydrophobicContact CG-CG2 3.93Å; G150-T176 PolarHBondContact O-N 2.84Å; T176-E178 PolarHBondContact O-N 3.28Å; T176-A179 PolarHBondContact O-N 2.86Å; T176-A179 WeakPolarHBondContact OG1-CB 3.31Å; T176-A179 PolarHBondContact OG1-N 3.07Å; T176-F180 PolarHBondContact O-N 2.88Å
177	L	98.7	Very high	98.3	Very high	18 Å²	18	26.1 Å²	26.1	9%	0.094	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-35.2	174.6	-65.2	-178.4	0	0	0	111.2	F117 R121 C125 D126 F128 F180 D181	F117-L177 HydrophobicContact CD2-CB 4.45Å; F117-L177 HydrophobicContact CD2-CD2 3.43Å; F117-L177 VanDerWaalsContact CD2-CD2 3.43Å; F117-L177 HydrophobicContact CD2-CG 4.49Å; F117-L177 HydrophobicContact CE2-CB 3.86Å; F117-L177 HydrophobicContact CE2-CD2 3.72Å; F117-L177 HydrophobicContact CE2-CG 4.33Å; F117-L177 WeakPolarHBondContact CE2-O 3.46Å; F117-L177 HydrophobicContact CG-CD2 4.31Å; R121-L177 HydrophobicContact CG-CD1 3.7Å; C125-L177 WeakPolarHBondContact O-CD1 3.33Å; D126-L177 PolarHBondContact O-N 2.98Å; F128-L177 HydrophobicContact CD1-CD2 3.41Å; F128-L177 VanDerWaalsContact CD1-CD2 3.41Å; F128-L177 HydrophobicContact CD1-CG 4.45Å; F128-L177 HydrophobicContact CE1-CD2 3.78Å; F128-L177 HydrophobicContact CG-CD2 4.35Å; L177-F180 PolarHBondContact O-N 3.28Å; L177-D181 WeakPolarHBondContact O-CB 3.4Å; L177-D181 PolarHBondContact O-N 3.12Å
178	E	98.6	Very high	98.5	Very high	163 Å²	163	21 Å²	21	76%	0.762	11%	0.108	S	C	*	.	H	α-helix	trans	-58.8	-51.3	174.5	-176	-178.3	175.6	0	0	112.4	T176 F180 D181 L182	T176-E178 PolarHBondContact O-N 3.28Å; E178-F180 VanDerWaalsContact C-N 3.32Å; E178-F180 PolarHBondContact O-N 3.05Å; E178-D181 PolarHBondContact O-N 2.83Å; E178-L182 VanDerWaalsContact O-CB 3.31Å; E178-L182 WeakPolarHBondContact O-CB 3.46Å; E178-L182 PolarHBondContact O-N 3.41Å
179	A	98.7	Very high	98.5	Very high	5 Å²	5	22.2 Å²	22.2	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-37.1	179.9	0	0	0	0	0	111.9	V175 T176 V183 L209	V175-A179 HydrophobicContact CG2-CB 4Å; T176-A179 PolarHBondContact O-N 2.86Å; T176-A179 WeakPolarHBondContact OG1-CB 3.31Å; T176-A179 PolarHBondContact OG1-N 3.07Å; A179-V183 WeakPolarHBondContact O-CG2 3.3Å; A179-V183 PolarHBondContact O-N 3.04Å; A179-L209 HydrophobicContact CB-CD1 4.02Å; A179-L209 HydrophobicContact CB-CD2 4.44Å
180	F	98.9	Very high	98.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.3	-40.8	178.2	-165	-96.4	0	0	0	112.5	I113 N114 F117 F128 M130 V175 T176 L177 E178 V183 G185 M186 F200 L257	I113-F180 HydrophobicContact CG2-CE2 3.97Å; I113-F180 HydrophobicContact CG2-CZ 3.71Å; N114-F180 WeakPolarHBondContact OD1-CE1 3.43Å; N114-F180 VanDerWaalsContact OD1-CZ 3.25Å; N114-F180 WeakPolarHBondContact OD1-CZ 2.99Å; F117-F180 HydrophobicContact CB-CD1 3.99Å; F117-F180 HydrophobicContact CB-CE1 3.9Å; F117-F180 HydrophobicContact CD2-CB 4.22Å; F117-F180 AromaticContact CD2-CD1 3.44Å; F117-F180 HydrophobicContact CD2-CD1 3.44Å; F117-F180 VanDerWaalsContact CD2-CD1 3.44Å; F117-F180 HydrophobicContact CD2-CE1 4.21Å; F117-F180 HydrophobicContact CD2-CG 4.19Å; F117-F180 HydrophobicContact CE2-CB 4.41Å; F117-F180 HydrophobicContact CE2-CD1 4.12Å; F117-F180 AromaticContact CG-CD1 3.88Å; F117-F180 HydrophobicContact CG-CD1 3.88Å; F117-F180 HydrophobicContact CG-CE1 4.21Å; F128-F180 HydrophobicContact CE1-CB 3.9Å; F128-F180 HydrophobicContact CE1-CD1 4.22Å; F128-F180 HydrophobicContact CE1-CD2 4.05Å; F128-F180 AromaticContact CE1-CG 3.79Å; F128-F180 HydrophobicContact CE1-CG 3.79Å; F128-F180 HydrophobicContact CZ-CB 4.36Å; F128-F180 HydrophobicContact CZ-CD1 4.05Å; F128-F180 AromaticContact CZ-CD2 3.66Å; F128-F180 HydrophobicContact CZ-CD2 3.66Å; F128-F180 HydrophobicContact CZ-CE1 4.21Å; F128-F180 AromaticContact CZ-CE2 3.86Å; F128-F180 HydrophobicContact CZ-CE2 3.86Å; F128-F180 AromaticContact CZ-CG 3.75Å; F128-F180 HydrophobicContact CZ-CG 3.75Å; F128-F180 HydrophobicContact CZ-CZ 4.13Å; M130-F180 HydrophobicContact CE-CD2 3.84Å; M130-F180 HydrophobicContact CE-CE2 3.74Å; M130-F180 HydrophobicContact SD-CE2 4.31Å; V175-F180 HydrophobicContact CG1-CB 4.25Å; V175-F180 HydrophobicContact CG1-CD2 3.99Å; V175-F180 HydrophobicContact CG1-CG 4.47Å; V175-F180 HydrophobicContact CG2-CB 4.03Å; V175-F180 HydrophobicContact CG2-CD2 4.44Å; T176-F180 PolarHBondContact O-N 2.88Å; L177-F180 PolarHBondContact O-N 3.28Å; E178-F180 VanDerWaalsContact C-N 3.32Å; E178-F180 PolarHBondContact O-N 3.05Å; F180-V183 WeakPolarHBondContact O-CG2 3.49Å; F180-G185 WeakPolarHBondContact O-CA 3.41Å; F180-G185 PolarHBondContact O-N 3.13Å; F180-M186 HydrophobicContact CE2-CG 3.96Å; F180-M186 HydrophobicContact CZ-CG 3.99Å; F180-F200 HydrophobicContact CD2-CE2 4.04Å; F180-F200 AromaticContact CD2-CZ 3.68Å; F180-F200 HydrophobicContact CD2-CZ 3.68Å; F180-F200 AromaticContact CE2-CE2 3.81Å; F180-F200 HydrophobicContact CE2-CE2 3.81Å; F180-F200 AromaticContact CE2-CZ 3.75Å; F180-F200 HydrophobicContact CE2-CZ 3.75Å; F180-L257 HydrophobicContact CD1-CD2 4.26Å; F180-L257 HydrophobicContact CE1-CD1 4.36Å; F180-L257 HydrophobicContact CE1-CD2 4.45Å
181	D	98.7	Very high	98.5	Very high	59 Å²	59	22.4 Å²	22.4	32%	0.316	11%	0.113	S	C	.	.	H	α-helix	trans	-67.6	-43.4	176.5	-159.6	54	0	0	0	111	F117 L177 E178 V183 N184 L257 H258	F117-D181 HydrophobicContact CE2-CB 4.15Å; F117-D181 HydrophobicContact CZ-CB 3.96Å; L177-D181 WeakPolarHBondContact O-CB 3.4Å; L177-D181 PolarHBondContact O-N 3.12Å; E178-D181 PolarHBondContact O-N 2.83Å; D181-V183 PolarHBondContact O-N 2.94Å; D181-N184 WeakPolarHBondContact O-CA 3.49Å; D181-N184 PolarHBondContact O-N 2.65Å; D181-L257 VanDerWaalsContact OD1-CD2 3.29Å; D181-L257 WeakPolarHBondContact OD1-CD2 3.31Å; D181-H258 IonicContact OD1-CE1 2.71Å; D181-H258 PolarHBondContact OD1-CE1 3.17Å; D181-H258 IonicContact OD1-NE2 3.43Å
182	L	98.5	Very high	98.5	Very high	98 Å²	98	22.8 Å²	22.8	51%	0.513	12%	0.117	S	C	.	.	H	α-helix	trans	-52.4	-41.1	177.3	177.5	63.9	0	0	0	112.4	E178 N184 L209	E178-L182 VanDerWaalsContact O-CB 3.31Å; E178-L182 WeakPolarHBondContact O-CB 3.46Å; E178-L182 PolarHBondContact O-N 3.41Å; L182-N184 VanDerWaalsContact C-N 3.3Å; L182-N184 PolarHBondContact O-N 3.07Å; L182-L209 HydrophobicContact CD2-CD1 4.49Å
183	V	98.6	Very high	98.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	8.8	-179.6	-55.5	0	0	0	0	114.1	A179 F180 D181 G185 F200 R203 L204 H207 L209	A179-V183 WeakPolarHBondContact O-CG2 3.3Å; A179-V183 PolarHBondContact O-N 3.04Å; F180-V183 WeakPolarHBondContact O-CG2 3.49Å; D181-V183 PolarHBondContact O-N 2.94Å; V183-G185 VanDerWaalsContact C-N 3.27Å; V183-G185 PolarHBondContact O-N 3.17Å; V183-F200 HydrophobicContact CG2-CE2 3.59Å; V183-F200 HydrophobicContact CG2-CZ 4.01Å; V183-R203 HydrophobicContact CB-CB 4.03Å; V183-R203 HydrophobicContact CG2-CB 4.43Å; V183-R203 PolarHBondContact O-NH1 3.19Å; V183-L204 HydrophobicContact CG1-CD2 4.13Å; V183-L204 HydrophobicContact CG2-CD2 4.28Å; V183-H207 HydrophobicContact CG1-CB 3.93Å; V183-L209 HydrophobicContact CG1-CD1 3.59Å
184	N	98.7	Very high	98.2	Very high	42 Å²	42	27.5 Å²	27.5	23%	0.225	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	41.6	-175.5	-176.3	23.5	0	0	0	112.1	D181 L182 R203 G256 L257 H258	D181-N184 WeakPolarHBondContact O-CA 3.49Å; D181-N184 PolarHBondContact O-N 2.65Å; L182-N184 VanDerWaalsContact C-N 3.3Å; L182-N184 PolarHBondContact O-N 3.07Å; N184-R203 PolarHBondContact O-NH1 3.27Å; N184-R203 VanDerWaalsContact O-NH1 3.14Å; N184-G256 CarbonylContact O-C 3.55Å; N184-G256 WeakPolarHBondContact O-CA 3.49Å; N184-L257 PolarHBondContact O-N 3.23Å; N184-L257 PolarHBondContact OD1-N 3.15Å; N184-L257 VanDerWaalsContact OD1-N 3.11Å; N184-H258 PolarHBondContact OD1-CD2 3.43Å; N184-H258 PolarHBondContact OD1-N 3.49Å
185	G	98.7	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.			trans	50	-150.9	179.7	0	0	0	0	0	115.2	F180 V183 R203	F180-G185 WeakPolarHBondContact O-CA 3.41Å; F180-G185 PolarHBondContact O-N 3.13Å; V183-G185 VanDerWaalsContact C-N 3.27Å; V183-G185 PolarHBondContact O-N 3.17Å; G185-R203 WeakPolarHBondContact O-CD 3.32Å; G185-R203 PolarHBondContact O-NE 3.1Å; G185-R203 PolarHBondContact O-NH1 3.23Å; G185-R203 VanDerWaalsContact O-NH1 3.1Å
186	M	98.8	Very high	98	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-92.8	156.6	-179	-56.1	-173.1	79.7	0	0	112.3	A110 I113 N114 M130 F180 E196 F200 G256	A110-M186 HydrophobicContact CB-CB 3.6Å; A110-M186 HydrophobicContact CB-CE 4.12Å; A110-M186 HydrophobicContact CB-CG 4.46Å; A110-M186 HydrophobicContact CB-SD 4.09Å; I113-M186 HydrophobicContact CB-SD 3.87Å; I113-M186 HydrophobicContact CG1-SD 4.14Å; I113-M186 HydrophobicContact CG2-CG 4.31Å; I113-M186 HydrophobicContact CG2-SD 3.73Å; N114-M186 PolarHBondContact ND2-O 3.2Å; N114-M186 PolarHBondContact OD1-N 3.35Å; M130-M186 HydrophobicContact SD-SD 4.06Å; F180-M186 HydrophobicContact CE2-CG 3.96Å; F180-M186 HydrophobicContact CZ-CG 3.99Å; M186-E196 HydrophobicContact CE-CB 4.38Å; M186-E196 HydrophobicContact CE-CG 3.99Å; M186-F200 HydrophobicContact CB-CD2 4.29Å; M186-F200 HydrophobicContact CE-CB 3.89Å; M186-F200 HydrophobicContact CE-CG 4.21Å; M186-F200 HydrophobicContact CG-CB 4.37Å; M186-F200 HydrophobicContact CG-CD2 3.6Å; M186-F200 HydrophobicContact CG-CE2 4.02Å; M186-F200 HydrophobicContact CG-CG 3.95Å; M186-G256 WeakPolarHBondContact O-CA 3.33Å
187	S	98.4	Very high	98	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.156	C	C	.	.			trans	-65	141.8	175.5	172.7	0	0	0	0	112.6	A110 K189 Y190 E199 D252 T255	A110-S187 WeakPolarHBondContact CB-O 3.47Å; S187-K189 VanDerWaalsContact C-N 3.31Å; S187-K189 PolarHBondContact O-N 3.32Å; S187-K189 PolarHBondContact OG-N 2.89Å; S187-K189 VanDerWaalsContact OG-N 3.1Å; S187-Y190 VanDerWaalsContact CB-CE2 3.45Å; S187-Y190 WeakPolarHBondContact OG-CD2 3.22Å; S187-Y190 WeakPolarHBondContact OG-CE2 3.4Å; S187-E199 VanDerWaalsContact CB-OE2 3.29Å; S187-E199 WeakPolarHBondContact CB-OE2 3.48Å; S187-D252 WeakPolarHBondContact CB-OD2 3.49Å; S187-D252 PolarHBondContact OG-OD2 3.11Å; S187-T255 PolarHBondContact OG-OG1 3.05Å
188	N	98.2	Very high	98	Very high	20 Å²	20	32 Å²	32	11%	0.107	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	1.9	175.3	-59.2	-42.6	0	0	0	113.6	N108 S111 N114 W191 T255 G256 T259 L260	N108-N188 PolarHBondContact ND2-O 2.86Å; S111-N188 WeakPolarHBondContact OG-CA 3.23Å; S111-N188 WeakPolarHBondContact OG-CB 3.24Å; S111-N188 PolarHBondContact OG-OD1 3.38Å; N114-N188 PolarHBondContact ND2-OD1 2.83Å; N188-W191 PolarHBondContact O-NE1 3.31Å; N188-T255 PolarHBondContact N-OG1 3.28Å; N188-G256 PolarHBondContact ND2-N 2.98Å; N188-G256 PolarHBondContact ND2-O 3.33Å; N188-T259 PolarHBondContact ND2-OG1 3.41Å; N188-L260 WeakPolarHBondContact ND2-CA 3.33Å; N188-L260 PolarHBondContact ND2-N 3.26Å; N188-L260 VanDerWaalsContact OD1-CD1 3.28Å; N188-L260 WeakPolarHBondContact OD1-CD1 3.15Å
189	K	97.1	Very high	97.9	Very high	35 Å²	35	24.5 Å²	24.5	15%	0.152	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9	-174	-67.6	-177.9	175.7	163.2	0	115	S187 W191 D252 T255 T291 W293	S187-K189 VanDerWaalsContact C-N 3.31Å; S187-K189 PolarHBondContact O-N 3.32Å; S187-K189 PolarHBondContact OG-N 2.89Å; S187-K189 VanDerWaalsContact OG-N 3.1Å; K189-W191 PolarHBondContact O-N 3.45Å; K189-W191 VanDerWaalsContact O-N 3.15Å; K189-D252 HydrophobicContact CD-CB 4.33Å; K189-D252 WeakPolarHBondContact CD-OD2 3.34Å; K189-D252 VanDerWaalsContact CE-OD1 3.31Å; K189-D252 WeakPolarHBondContact CE-OD1 2.91Å; K189-D252 IonicContact NZ-OD1 3.32Å; K189-D252 PolarHBondContact NZ-OD1 3.2Å; K189-D252 IonicContact NZ-OD2 3.42Å; K189-T255 HydrophobicContact CG-CG2 4.24Å; K189-T291 HydrophobicContact CB-CG2 4.02Å; K189-T291 HydrophobicContact CG-CG2 3.8Å; K189-W293 PolarHBondContact O-NE1 3.25Å
190	Y	97.9	Very high	97.9	Very high	6 Å²	6	24.3 Å²	24.3	2%	0.024	12%	0.124	C	C	.	.			trans	-90.6	85	-169.1	-69.3	-99.6	0	0	0	111.3	N108 S187 L195 E196 E199 T248	N108-Y190 WeakPolarHBondContact CA-O 3.17Å; N108-Y190 VanDerWaalsContact CG-O 3.25Å; N108-Y190 PolarHBondContact OD1-O 2.83Å; S187-Y190 VanDerWaalsContact CB-CE2 3.45Å; S187-Y190 WeakPolarHBondContact OG-CD2 3.22Å; S187-Y190 WeakPolarHBondContact OG-CE2 3.4Å; Y190-L195 HydrophobicContact CD1-CB 4.25Å; Y190-L195 VanDerWaalsContact CE1-C 3.48Å; Y190-L195 HydrophobicContact CE1-CB 3.76Å; Y190-L195 WeakPolarHBondContact CE1-O 3.41Å; Y190-E196 HydrophobicContact CD1-CB 3.75Å; Y190-E196 HydrophobicContact CD2-CB 4.21Å; Y190-E196 HydrophobicContact CG-CB 3.56Å; Y190-E199 HydrophobicContact CE2-CB 4.36Å; Y190-E199 HydrophobicContact CE2-CG 3.57Å; Y190-E199 VanDerWaalsContact OH-CB 3.23Å; Y190-E199 WeakPolarHBondContact OH-CB 3.15Å; Y190-E199 VanDerWaalsContact OH-CG 3.3Å; Y190-E199 WeakPolarHBondContact OH-CG 3.46Å; Y190-T248 HydrophobicContact CD1-CG2 4.21Å; Y190-T248 HydrophobicContact CE1-CG2 4.06Å; Y190-T248 PolarHBondContact OH-O 3.25Å
191	W	97.8	Very high	97.9	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.019	13%	0.132	C	C	.	.			trans	-100.4	122.1	175.8	-58.9	93.7	0	0	0	111	F105 R106 N108 N188 K189 Q244 L284 C286 T291 W293 C294	F105-W191 HydrophobicContact CB-CE3 3.89Å; F105-W191 HydrophobicContact CB-CH2 4.03Å; F105-W191 HydrophobicContact CB-CZ3 3.39Å; F105-W191 HydrophobicContact CD2-CH2 4.27Å; F105-W191 HydrophobicContact CD2-CZ3 4.42Å; F105-W191 HydrophobicContact CG-CH2 4.34Å; F105-W191 HydrophobicContact CG-CZ3 4.17Å; R106-W191 HydrophobicContact CB-CB 4.15Å; R106-W191 HydrophobicContact CB-CE3 4.48Å; R106-W191 PolarHBondContact NH1-O 3.29Å; R106-W191 WeakPolarHBondContact O-CZ3 3.24Å; N108-W191 HydrophobicContact CB-CD2 3.99Å; N108-W191 HydrophobicContact CB-CE3 3.59Å; N108-W191 HydrophobicContact CB-CH2 4.21Å; N108-W191 HydrophobicContact CB-CZ3 3.69Å; N108-W191 VanDerWaalsContact ND2-CE2 3.32Å; N188-W191 PolarHBondContact O-NE1 3.31Å; K189-W191 PolarHBondContact O-N 3.45Å; K189-W191 VanDerWaalsContact O-N 3.15Å; W191-Q244 PolarHBondContact O-NE2 3.27Å; W191-L284 HydrophobicContact CH2-CB 3.88Å; W191-L284 HydrophobicContact CH2-CD1 4.03Å; W191-L284 HydrophobicContact CZ3-CD1 4.17Å; W191-C286 HydrophobicContact CH2-CB 4.16Å; W191-C286 HydrophobicContact CZ2-CB 3.79Å; W191-T291 PolarHBondContact NE1-OG1 2.97Å; W191-W293 AromaticContact CD1-NE1 3.99Å; W191-C294 HydrophobicContact CB-CB 4.19Å; W191-C294 HydrophobicContact CD2-CB 3.39Å; W191-C294 VanDerWaalsContact CE2-CB 3.49Å; W191-C294 HydrophobicContact CE3-CB 3.98Å; W191-C294 HydrophobicContact CG-CB 3.48Å; W191-C294 VanDerWaalsContact CG-CB 3.48Å; W191-C294 HydrophobicContact CZ2-CB 4.17Å
192	G	97.2	Very high	97.9	Very high	9 Å²	9	26.6 Å²	26.6	9%	0.093	13%	0.134	C	C	.	.	S	Bend	trans	96.8	-170.3	-168.7	0	0	0	0	0	111.6	F107	F107-G192 PolarHBondContact O-N 2.71Å
193	W	96	Very high	97.9	Very high	92 Å²	92	22 Å²	22	35%	0.348	11%	0.11	S	C	.	.	S	Bend	trans	-87.7	130.2	-174.4	-177.6	82	0	0	0	112.6	Y163 R236 D237 M238 R240	Y163-W193 HydrophobicContact CE1-CZ2 4.26Å; Y163-W193 AromaticContact CZ-CZ2 3.93Å; Y163-W193 VanDerWaalsContact OH-CZ2 3.22Å; Y163-W193 WeakPolarHBondContact OH-CZ2 3.47Å; W193-R236 HydrophobicContact CB-CB 4.1Å; W193-R236 HydrophobicContact CD2-CB 4.29Å; W193-R236 HydrophobicContact CD2-CG 4.38Å; W193-R236 HydrophobicContact CG-CB 3.9Å; W193-R236 HydrophobicContact CG-CG 4.07Å; W193-D237 PolarHBondContact N-O 3.43Å; W193-M238 HydrophobicContact CD2-SD 3.83Å; W193-M238 HydrophobicContact CE3-CE 3.81Å; W193-M238 HydrophobicContact CE3-SD 3.11Å; W193-M238 HydrophobicContact CG-SD 4.42Å; W193-M238 HydrophobicContact CZ3-CE 3.63Å; W193-M238 HydrophobicContact CZ3-SD 3.58Å; W193-M238 VanDerWaalsContact CZ3-SD 3.58Å; W193-R240 PolarHBondContact O-NH1 2.78Å; W193-R240 PolarHBondContact O-NH2 2.88Å
194	G	95.9	Very high	97.9	Very high	11 Å²	11	21.8 Å²	21.8	11%	0.113	11%	0.109	C	C	.	.	S	Bend	trans	103.9	156.6	156.3	0	0	0	0	0	116.2	E196	G194-E196 VanDerWaalsContact C-N 3.27Å; G194-E196 WeakPolarHBondContact CA-OE2 3.39Å; G194-E196 PolarHBondContact N-OE2 3.33Å; G194-E196 PolarHBondContact O-N 2.95Å
195	L	96.7	Very high	97.8	Very high	53 Å²	53	23.7 Å²	23.7	28%	0.277	12%	0.122	S	C	.	.	S	Bend	trans	75.3	-6.6	175.8	-54.8	170.1	0	0	0	115.8	Y190 D197 D198 E199 R249	Y190-L195 HydrophobicContact CD1-CB 4.25Å; Y190-L195 VanDerWaalsContact CE1-C 3.48Å; Y190-L195 HydrophobicContact CE1-CB 3.76Å; Y190-L195 WeakPolarHBondContact CE1-O 3.41Å; L195-D197 VanDerWaalsContact C-N 3.33Å; L195-D197 PolarHBondContact O-N 2.9Å; L195-D198 WeakPolarHBondContact CD2-OD2 3.48Å; L195-D198 PolarHBondContact O-N 3.07Å; L195-E199 PolarHBondContact O-N 2.76Å; L195-E199 VanDerWaalsContact O-N 3.11Å; L195-R249 HydrophobicContact CD1-CG 4.42Å
196	E	98.1	Very high	97.7	Very high	17 Å²	17	27.4 Å²	27.4	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-34.2	-179.4	74.1	-77.3	-174.7	0	0	113.1	R109 A110 M186 Y190 G194 F200	R109-E196 WeakPolarHBondContact CD-OE1 3.39Å; R109-E196 IonicContact NH1-OE1 3.98Å; A110-E196 HydrophobicContact CB-CB 4.05Å; A110-E196 HydrophobicContact CB-CG 4.24Å; M186-E196 HydrophobicContact CE-CB 4.38Å; M186-E196 HydrophobicContact CE-CG 3.99Å; Y190-E196 HydrophobicContact CD1-CB 3.75Å; Y190-E196 HydrophobicContact CD2-CB 4.21Å; Y190-E196 HydrophobicContact CG-CB 3.56Å; G194-E196 VanDerWaalsContact C-N 3.27Å; G194-E196 WeakPolarHBondContact CA-OE2 3.39Å; G194-E196 PolarHBondContact N-OE2 3.33Å; G194-E196 PolarHBondContact O-N 2.95Å; E196-F200 WeakPolarHBondContact O-CB 3.42Å; E196-F200 PolarHBondContact O-N 3.06Å; E196-F200 VanDerWaalsContact O-N 3.09Å
197	D	98.1	Very high	97.7	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	16%	0.158	C	C	.	.	H	α-helix	trans	-76.4	-38.3	176.7	61.1	-55.8	0	0	0	111.5	Y168 I169 G170 L195 E199 F200 F201	Y168-D197 WeakPolarHBondContact CD2-OD2 3.46Å; I169-D197 WeakPolarHBondContact CD1-O 3.44Å; I169-D197 HydrophobicContact CG1-CB 4.15Å; I169-D197 VanDerWaalsContact CG1-O 3.31Å; I169-D197 WeakPolarHBondContact CG1-O 3.46Å; G170-D197 PolarHBondContact N-OD2 3.3Å; G170-D197 VanDerWaalsContact N-OD2 3.11Å; L195-D197 VanDerWaalsContact C-N 3.33Å; L195-D197 PolarHBondContact O-N 2.9Å; D197-E199 VanDerWaalsContact C-N 3.3Å; D197-E199 PolarHBondContact O-N 2.85Å; D197-F200 PolarHBondContact O-N 3.33Å; D197-F201 PolarHBondContact O-N 2.79Å
198	D	97.8	Very high	97.7	Very high	37 Å²	37	34.5 Å²	34.5	20%	0.198	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-41.8	173.1	-67.1	-59.6	0	0	0	111.6	Y165 L195 F201 L202	Y165-D198 WeakPolarHBondContact CE2-OD1 3.39Å; Y165-D198 PolarHBondContact OH-OD1 2.93Å; Y165-D198 PolarHBondContact OH-OD2 2.9Å; L195-D198 WeakPolarHBondContact CD2-OD2 3.48Å; L195-D198 PolarHBondContact O-N 3.07Å; D198-F201 WeakPolarHBondContact O-CB 3.5Å; D198-F201 PolarHBondContact O-N 3.15Å; D198-L202 PolarHBondContact O-N 2.85Å
199	E	98.1	Very high	97.7	Very high	6 Å²	6	35 Å²	35	3%	0.028	19%	0.191	C	C	.	.	H	α-helix	trans	-75.7	-30.9	178.6	113.6	87.8	36.5	0	0	111.7	S187 Y190 L195 D197 F201 L202 R203 R251 D252	S187-E199 VanDerWaalsContact CB-OE2 3.29Å; S187-E199 WeakPolarHBondContact CB-OE2 3.48Å; Y190-E199 HydrophobicContact CE2-CB 4.36Å; Y190-E199 HydrophobicContact CE2-CG 3.57Å; Y190-E199 VanDerWaalsContact OH-CB 3.23Å; Y190-E199 WeakPolarHBondContact OH-CB 3.15Å; Y190-E199 VanDerWaalsContact OH-CG 3.3Å; Y190-E199 WeakPolarHBondContact OH-CG 3.46Å; L195-E199 PolarHBondContact O-N 2.76Å; L195-E199 VanDerWaalsContact O-N 3.11Å; D197-E199 VanDerWaalsContact C-N 3.3Å; D197-E199 PolarHBondContact O-N 2.85Å; E199-F201 VanDerWaalsContact C-N 3.32Å; E199-L202 WeakPolarHBondContact O-CB 3.37Å; E199-L202 PolarHBondContact O-N 3.39Å; E199-R203 PolarHBondContact O-N 3.21Å; E199-R203 IonicContact OE2-CZ 2.74Å; E199-R203 VanDerWaalsContact OE2-CZ 3.24Å; E199-R203 IonicContact OE2-NE 2.76Å; E199-R203 PolarHBondContact OE2-NE 3.31Å; E199-R203 IonicContact OE2-NH2 3.2Å; E199-R203 PolarHBondContact OE2-NH2 2.93Å; E199-R251 IonicContact OE1-CZ 2.72Å; E199-R251 IonicContact OE1-NE 2.73Å; E199-R251 IonicContact OE1-NH1 2.85Å; E199-R251 PolarHBondContact OE1-NH1 3.41Å; E199-R251 IonicContact OE2-CZ 3.94Å; E199-R251 IonicContact OE2-NH1 3.35Å; E199-R251 PolarHBondContact OE2-NH1 2.95Å; E199-D252 PolarHBondContact OE1-N 3.27Å
200	F	98.5	Very high	97.6	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-37.3	170.2	-174	-113.1	0	0	0	111.2	M130 I169 L173 F180 V183 M186 E196 D197 L202 R203 L204	M130-F200 HydrophobicContact CE-CE1 3.71Å; M130-F200 HydrophobicContact CE-CZ 4.03Å; I169-F200 HydrophobicContact CD1-CB 4.39Å; I169-F200 HydrophobicContact CD1-CD1 3.66Å; I169-F200 HydrophobicContact CD1-CE1 4.47Å; I169-F200 HydrophobicContact CD1-CG 4.46Å; L173-F200 HydrophobicContact CD2-CD1 3.98Å; L173-F200 HydrophobicContact CD2-CE1 3.69Å; F180-F200 HydrophobicContact CD2-CE2 4.04Å; F180-F200 AromaticContact CD2-CZ 3.68Å; F180-F200 HydrophobicContact CD2-CZ 3.68Å; F180-F200 AromaticContact CE2-CE2 3.81Å; F180-F200 HydrophobicContact CE2-CE2 3.81Å; F180-F200 AromaticContact CE2-CZ 3.75Å; F180-F200 HydrophobicContact CE2-CZ 3.75Å; V183-F200 HydrophobicContact CG2-CE2 3.59Å; V183-F200 HydrophobicContact CG2-CZ 4.01Å; M186-F200 HydrophobicContact CB-CD2 4.29Å; M186-F200 HydrophobicContact CE-CB 3.89Å; M186-F200 HydrophobicContact CE-CG 4.21Å; M186-F200 HydrophobicContact CG-CB 4.37Å; M186-F200 HydrophobicContact CG-CD2 3.6Å; M186-F200 HydrophobicContact CG-CE2 4.02Å; M186-F200 HydrophobicContact CG-CG 3.95Å; E196-F200 WeakPolarHBondContact O-CB 3.42Å; E196-F200 PolarHBondContact O-N 3.06Å; E196-F200 VanDerWaalsContact O-N 3.09Å; D197-F200 PolarHBondContact O-N 3.33Å; F200-L202 VanDerWaalsContact C-N 3.27Å; F200-L202 PolarHBondContact O-N 3.43Å; F200-R203 WeakPolarHBondContact O-CA 2.97Å; F200-R203 VanDerWaalsContact O-CB 3.23Å; F200-R203 WeakPolarHBondContact O-CB 3.47Å; F200-R203 PolarHBondContact O-N 3.29Å; F200-L204 HydrophobicContact CD1-CD1 4.22Å; F200-L204 HydrophobicContact CD1-CG 4.41Å; F200-L204 HydrophobicContact CE1-CD1 3.91Å; F200-L204 HydrophobicContact CE1-CD2 4.02Å; F200-L204 HydrophobicContact CE1-CG 4.07Å; F200-L204 HydrophobicContact CZ-CD2 3.89Å; F200-L204 HydrophobicContact CZ-CG 4.34Å; F200-L204 PolarHBondContact O-N 2.93Å; F200-L204 VanDerWaalsContact O-N 3.15Å
201	F	98.2	Very high	97.6	Very high	40 Å²	40	42.9 Å²	42.9	18%	0.175	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-42.2	173.8	176.8	-99.6	0	0	0	111.4	K167 I169 D197 D198 E199 R203 L204 V205 V211	K167-F201 HydrophobicContact CB-CD1 4.16Å; K167-F201 HydrophobicContact CB-CE1 4.15Å; K167-F201 HydrophobicContact CD-CE1 4.34Å; K167-F201 HydrophobicContact CG-CD1 4.32Å; K167-F201 HydrophobicContact CG-CE1 3.89Å; K167-F201 HydrophobicContact CG-CZ 4.43Å; I169-F201 VanDerWaalsContact CD1-CA 3.47Å; I169-F201 HydrophobicContact CD1-CB 3.58Å; I169-F201 HydrophobicContact CD1-CD2 4.31Å; I169-F201 HydrophobicContact CD1-CG 4.47Å; I169-F201 HydrophobicContact CG1-CB 3.98Å; I169-F201 HydrophobicContact CG2-CD2 3.77Å; D197-F201 PolarHBondContact O-N 2.79Å; D198-F201 WeakPolarHBondContact O-CB 3.5Å; D198-F201 PolarHBondContact O-N 3.15Å; E199-F201 VanDerWaalsContact C-N 3.32Å; F201-R203 VanDerWaalsContact C-N 3.26Å; F201-R203 PolarHBondContact O-N 3.32Å; F201-L204 PolarHBondContact O-N 3.15Å; F201-V205 HydrophobicContact CD1-CG2 4.15Å; F201-V205 HydrophobicContact CE1-CG2 3.67Å; F201-V205 HydrophobicContact CE2-CG2 4.18Å; F201-V205 HydrophobicContact CZ-CG2 3.69Å; F201-V205 WeakPolarHBondContact O-CG2 3.28Å; F201-V205 PolarHBondContact O-N 3.41Å; F201-V211 HydrophobicContact CD2-CG2 4.34Å; F201-V211 HydrophobicContact CE2-CG2 4.33Å
202	L	97.9	Very high	97.6	Very high	67 Å²	67	44.4 Å²	44.4	35%	0.351	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-34.1	175.5	-61.2	177.4	0	0	0	112.2	D198 E199 F200 V205 E206	D198-L202 PolarHBondContact O-N 2.85Å; E199-L202 WeakPolarHBondContact O-CB 3.37Å; E199-L202 PolarHBondContact O-N 3.39Å; F200-L202 VanDerWaalsContact C-N 3.27Å; F200-L202 PolarHBondContact O-N 3.43Å; L202-V205 PolarHBondContact O-N 3.44Å; L202-E206 WeakPolarHBondContact O-CB 3.42Å; L202-E206 WeakPolarHBondContact O-CG 3.12Å; L202-E206 PolarHBondContact O-N 2.99Å
203	R	98.3	Very high	97.6	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-44.9	175.2	-61.2	-174	179.6	-125.9	-4.7	112.5	V183 N184 G185 E199 F200 F201 E206 H207 R251 D252 T255	V183-R203 HydrophobicContact CB-CB 4.03Å; V183-R203 HydrophobicContact CG2-CB 4.43Å; V183-R203 PolarHBondContact O-NH1 3.19Å; N184-R203 PolarHBondContact O-NH1 3.27Å; N184-R203 VanDerWaalsContact O-NH1 3.14Å; G185-R203 WeakPolarHBondContact O-CD 3.32Å; G185-R203 PolarHBondContact O-NE 3.1Å; G185-R203 PolarHBondContact O-NH1 3.23Å; G185-R203 VanDerWaalsContact O-NH1 3.1Å; E199-R203 PolarHBondContact O-N 3.21Å; E199-R203 IonicContact OE2-CZ 2.74Å; E199-R203 VanDerWaalsContact OE2-CZ 3.24Å; E199-R203 IonicContact OE2-NE 2.76Å; E199-R203 PolarHBondContact OE2-NE 3.31Å; E199-R203 IonicContact OE2-NH2 3.2Å; E199-R203 PolarHBondContact OE2-NH2 2.93Å; F200-R203 WeakPolarHBondContact O-CA 2.97Å; F200-R203 VanDerWaalsContact O-CB 3.23Å; F200-R203 WeakPolarHBondContact O-CB 3.47Å; F200-R203 PolarHBondContact O-N 3.29Å; F201-R203 VanDerWaalsContact C-N 3.26Å; F201-R203 PolarHBondContact O-N 3.32Å; R203-E206 PolarHBondContact O-N 2.72Å; R203-H207 PolarHBondContact O-N 3.02Å; R203-H207 PolarHBondContact O-ND1 2.8Å; R203-R251 VanDerWaalsContact CG-NH2 3.32Å; R203-R251 VanDerWaalsContact CZ-NH2 3.35Å; R203-R251 VanDerWaalsContact NH2-NH1 3.2Å; R203-D252 PolarHBondContact NH2-O 2.99Å; R203-T255 PolarHBondContact NH1-O 3.4Å; R203-T255 PolarHBondContact NH2-O 3.01Å
204	L	98.4	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-48.5	178.5	-61.3	178.7	0	0	0	110.4	V151 I169 V183 F200 F201 E206 H207 G208 L209 V211	V151-L204 HydrophobicContact CG1-CD1 4.03Å; V151-L204 HydrophobicContact CG2-CD1 4.24Å; V151-L204 HydrophobicContact CG2-CD2 3.9Å; I169-L204 HydrophobicContact CD1-CD1 3.91Å; V183-L204 HydrophobicContact CG1-CD2 4.13Å; V183-L204 HydrophobicContact CG2-CD2 4.28Å; F200-L204 HydrophobicContact CD1-CD1 4.22Å; F200-L204 HydrophobicContact CD1-CG 4.41Å; F200-L204 HydrophobicContact CE1-CD1 3.91Å; F200-L204 HydrophobicContact CE1-CD2 4.02Å; F200-L204 HydrophobicContact CE1-CG 4.07Å; F200-L204 HydrophobicContact CZ-CD2 3.89Å; F200-L204 HydrophobicContact CZ-CG 4.34Å; F200-L204 PolarHBondContact O-N 2.93Å; F200-L204 VanDerWaalsContact O-N 3.15Å; F201-L204 PolarHBondContact O-N 3.15Å; L204-E206 PolarHBondContact O-N 3.29Å; L204-H207 CarbonylContact O-C 3.56Å; L204-H207 PolarHBondContact O-N 3.36Å; L204-G208 PolarHBondContact O-N 2.99Å; L204-L209 HydrophobicContact CB-CB 4.18Å; L204-L209 HydrophobicContact CD2-CB 4.34Å; L204-L209 HydrophobicContact CD2-CD1 3.75Å; L204-L209 PolarHBondContact O-N 2.94Å; L204-V211 HydrophobicContact CD1-CG2 3.75Å
205	V	97.4	Very high	97.6	Very high	82 Å²	82	46.4 Å²	46.4	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-43.6	178.3	172.9	0	0	0	0	111.8	F201 L202 H207 G208	F201-V205 HydrophobicContact CD1-CG2 4.15Å; F201-V205 HydrophobicContact CE1-CG2 3.67Å; F201-V205 HydrophobicContact CE2-CG2 4.18Å; F201-V205 HydrophobicContact CZ-CG2 3.69Å; F201-V205 WeakPolarHBondContact O-CG2 3.28Å; F201-V205 PolarHBondContact O-N 3.41Å; L202-V205 PolarHBondContact O-N 3.44Å; V205-H207 PolarHBondContact O-N 3.29Å; V205-G208 PolarHBondContact O-N 2.72Å
206	E	97.7	Very high	97.6	Very high	78 Å²	78	51.3 Å²	51.3	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-27.3	178.7	-77.4	173.5	176.1	0	0	113.6	L202 R203 L204 R251 R253	L202-E206 WeakPolarHBondContact O-CB 3.42Å; L202-E206 WeakPolarHBondContact O-CG 3.12Å; L202-E206 PolarHBondContact O-N 2.99Å; R203-E206 PolarHBondContact O-N 2.72Å; L204-E206 PolarHBondContact O-N 3.29Å; E206-R251 WeakPolarHBondContact OE1-CG 3.33Å; E206-R251 IonicContact OE1-NE 3.76Å; E206-R251 IonicContact OE2-NE 3.7Å; E206-R251 PolarHBondContact OE2-NE 3.16Å; E206-R253 VanDerWaalsContact CD-NH1 3.34Å; E206-R253 VanDerWaalsContact CD-NH2 3.25Å; E206-R253 IonicContact OE1-CZ 3.32Å; E206-R253 VanDerWaalsContact OE1-CZ 3.32Å; E206-R253 IonicContact OE1-NH1 3.56Å; E206-R253 PolarHBondContact OE1-NH1 3.16Å; E206-R253 IonicContact OE1-NH2 2.66Å; E206-R253 PolarHBondContact OE1-NH2 3.03Å; E206-R253 IonicContact OE2-CZ 3.46Å; E206-R253 IonicContact OE2-NH1 2.69Å; E206-R253 PolarHBondContact OE2-NH1 3.32Å; E206-R253 IonicContact OE2-NH2 3.48Å; E206-R253 PolarHBondContact OE2-NH2 3.1Å
207	H	97.8	Very high	97.5	Very high	90 Å²	90	51.8 Å²	51.8	42%	0.417	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11	176.9	-65.6	78.5	0	0	0	112.7	V183 R203 L204 V205 L209	V183-H207 HydrophobicContact CG1-CB 3.93Å; R203-H207 PolarHBondContact O-N 3.02Å; R203-H207 PolarHBondContact O-ND1 2.8Å; L204-H207 CarbonylContact O-C 3.56Å; L204-H207 PolarHBondContact O-N 3.36Å; V205-H207 PolarHBondContact O-N 3.29Å; H207-L209 PolarHBondContact O-N 2.83Å
208	G	97.8	Very high	97.4	Very high	61 Å²	61	56.2 Å²	56.2	63%	0.629	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	13.8	178.3	0	0	0	0	0	114.8	L204 V205	L204-G208 PolarHBondContact O-N 2.99Å; V205-G208 PolarHBondContact O-N 2.72Å
209	L	98.1	Very high	97.4	Very high	32 Å²	32	55.9 Å²	55.9	17%	0.168	32%	0.322	C	S	.	.			trans	-77.1	126.2	177.8	-68.1	172.2	0	0	0	110.3	A179 L182 V183 L204 H207	A179-L209 HydrophobicContact CB-CD1 4.02Å; A179-L209 HydrophobicContact CB-CD2 4.44Å; L182-L209 HydrophobicContact CD2-CD1 4.49Å; V183-L209 HydrophobicContact CG1-CD1 3.59Å; L204-L209 HydrophobicContact CB-CB 4.18Å; L204-L209 HydrophobicContact CD2-CB 4.34Å; L204-L209 HydrophobicContact CD2-CD1 3.75Å; L204-L209 PolarHBondContact O-N 2.94Å; H207-L209 PolarHBondContact O-N 2.83Å
210	K	95.9	Very high	97.4	Very high	171 Å²	171	59.4 Å²	59.4	74%	0.743	34%	0.341	S	S	*	.			trans	-91.3	129.9	176.7	-66.9	-177.6	-178.4	176.5	0	110.2	S212	K210-S212 PolarHBondContact O-N 3.48Å
211	V	97.9	Very high	97.3	Very high	34 Å²	34	61.5 Å²	61.5	21%	0.206	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	107.1	172.8	-177.6	0	0	0	0	108.5	V151 H153 I169 F201 L204 R213	V151-V211 HydrophobicContact CG1-CG1 4.33Å; V151-V211 HydrophobicContact CG1-CG2 4.12Å; H153-V211 HydrophobicContact CB-CG1 3.5Å; H153-V211 VanDerWaalsContact CB-CG1 3.5Å; I169-V211 HydrophobicContact CG2-CG1 4.23Å; I169-V211 HydrophobicContact CG2-CG2 4.4Å; F201-V211 HydrophobicContact CD2-CG2 4.34Å; F201-V211 HydrophobicContact CE2-CG2 4.33Å; L204-V211 HydrophobicContact CD1-CG2 3.75Å; V211-R213 HydrophobicContact CG1-CG 4.5Å
212	S	97.6	Very high	97.2	Very high	38 Å²	38	64 Å²	64	27%	0.266	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	153	170.1	56.4	0	0	0	0	110.3	T149 V151 Y152 H153 K210	T149-S212 PolarHBondContact OG1-OG 3.34Å; T149-S212 VanDerWaalsContact OG1-OG 3.14Å; V151-S212 PolarHBondContact O-N 3.09Å; V151-S212 VanDerWaalsContact O-N 3.1Å; V151-S212 PolarHBondContact O-OG 2.73Å; Y152-S212 CarbonylContact C-O 3.49Å; Y152-S212 WeakPolarHBondContact CA-O 3.45Å; Y152-S212 WeakPolarHBondContact CD2-OG 3.45Å; H153-S212 PolarHBondContact N-O 3.03Å; K210-S212 PolarHBondContact O-N 3.48Å
213	R	97.6	Very high	97.2	Very high	60 Å²	60	64.1 Å²	64.1	23%	0.226	38%	0.379	C	S	.	.			trans	-141.8	153.1	-174.3	-78.9	174.7	171.1	171.2	14.3	110.8	H153 N166 Y168 V211	H153-R213 HydrophobicContact CB-CG 3.96Å; H153-R213 PolarHBondContact ND1-NE 3.35Å; N166-R213 PolarHBondContact O-NH1 3.48Å; N166-R213 VanDerWaalsContact O-NH1 3.09Å; N166-R213 PolarHBondContact O-NH2 3.41Å; Y168-R213 PolarHBondContact O-NH2 2.94Å; V211-R213 HydrophobicContact CG1-CG 4.5Å
214	P	97.2	Very high	97.2	Very high	11 Å²	11	64.1 Å²	64.1	7%	0.071	38%	0.379	C	S	.	.			trans	-58.3	147.4	167.3	-1.2	6.7	0	0	0	110.9	L142 Y152 H153 V154 Y159 L217	L142-P214 HydrophobicContact CD2-CB 4.41Å; L142-P214 HydrophobicContact CD2-CG 3.89Å; Y152-P214 WeakPolarHBondContact OH-CB 3.26Å; Y152-P214 WeakPolarHBondContact OH-CD 3.46Å; Y152-P214 VanDerWaalsContact OH-CG 3.26Å; Y152-P214 WeakPolarHBondContact OH-CG 3.43Å; H153-P214 WeakPolarHBondContact O-CD 3.29Å; V154-P214 WeakPolarHBondContact O-CG 3.43Å; Y159-P214 HydrophobicContact CD2-CB 4.32Å; Y159-P214 HydrophobicContact CD2-CG 4.32Å; Y159-P214 HydrophobicContact CE2-CB 3.91Å; Y159-P214 HydrophobicContact CE2-CG 4.36Å; P214-L217 HydrophobicContact CB-CD1 3.9Å; P214-L217 HydrophobicContact CB-CD2 4.28Å; P214-L217 HydrophobicContact CB-CG 4.13Å
215	S	95.4	Very high	97.2	Very high	82 Å²	82	64.5 Å²	64.5	57%	0.573	38%	0.381	S	S	*	.			trans	-140.6	156.4	174.6	60.6	0	0	0	0	109.3	L217	S215-L217 PolarHBondContact O-N 3.41Å; S215-L217 VanDerWaalsContact O-N 3.15Å
216	N	95.3	Very high	97.3	Very high	157 Å²	157	67.6 Å²	67.6	84%	0.84	38%	0.384	S	S	*	.	S	Bend	trans	54.1	35.6	175.4	-52.3	-42.4	0	0	0	114.5	Y159	Y159-N216 PolarHBondContact OH-N 2.89Å
217	L	96.7	Very high	97.3	Very high	26 Å²	26	66.6 Å²	66.6	14%	0.136	38%	0.379	C	S	.	.			trans	-71.2	144.7	172	-57.4	-175.6	0	0	0	109.7	N141 L142 Y159 P214 S215 T219	N141-L217 HydrophobicContact CB-CD2 3.73Å; L142-L217 HydrophobicContact CD2-CD1 3.61Å; L142-L217 HydrophobicContact CG-CD1 4.2Å; Y159-L217 HydrophobicContact CD1-CB 4.32Å; Y159-L217 HydrophobicContact CD1-CD1 3.96Å; Y159-L217 HydrophobicContact CD1-CG 4.5Å; Y159-L217 HydrophobicContact CD2-CD1 3.77Å; Y159-L217 HydrophobicContact CD2-CG 4.5Å; Y159-L217 HydrophobicContact CE1-CB 3.58Å; Y159-L217 HydrophobicContact CE1-CD1 3.84Å; Y159-L217 HydrophobicContact CE1-CG 3.88Å; Y159-L217 HydrophobicContact CE2-CB 4.5Å; Y159-L217 HydrophobicContact CE2-CD1 3.66Å; Y159-L217 HydrophobicContact CE2-CG 3.89Å; Y159-L217 HydrophobicContact CG-CD1 3.95Å; Y159-L217 PolarHBondContact OH-N 3.14Å; Y159-L217 VanDerWaalsContact OH-N 3.17Å; P214-L217 HydrophobicContact CB-CD1 3.9Å; P214-L217 HydrophobicContact CB-CD2 4.28Å; P214-L217 HydrophobicContact CB-CG 4.13Å; S215-L217 PolarHBondContact O-N 3.41Å; S215-L217 VanDerWaalsContact O-N 3.15Å; L217-T219 PolarHBondContact O-N 3.1Å
218	A	96.5	Very high	97.2	Very high	106 Å²	106	63.7 Å²	63.7	88%	0.876	37%	0.366	S	S	*	.	S	Bend	trans	-70.2	-11.3	172	0	0	0	0	0	113.3
219	T	97.8	Very high	97	Very high	30 Å²	30	62.7 Å²	62.7	18%	0.184	35%	0.345	C	S	.	.			trans	-102.4	166.4	176.2	50	0	0	0	0	110.6	N139 Y159 L217 N223 S224	N139-T219 HydrophobicContact CB-CG2 4.27Å; N139-T219 WeakPolarHBondContact CB-OG1 3.45Å; N139-T219 PolarHBondContact ND2-OG1 3.1Å; Y159-T219 WeakPolarHBondContact CD1-O 3.25Å; Y159-T219 VanDerWaalsContact CE1-O 3.28Å; Y159-T219 WeakPolarHBondContact CE1-O 3.42Å; L217-T219 PolarHBondContact O-N 3.1Å; T219-N223 VanDerWaalsContact CA-OD1 3.26Å; T219-N223 WeakPolarHBondContact CA-OD1 3.23Å; T219-N223 WeakPolarHBondContact CB-OD1 3.45Å; T219-S224 VanDerWaalsContact CB-OG 3.24Å; T219-S224 WeakPolarHBondContact CB-OG 3.47Å; T219-S224 PolarHBondContact OG1-OG 3.41Å
220	N	97.4	Very high	96.8	Very high	80 Å²	80	64.5 Å²	64.5	43%	0.428	36%	0.355	S	S	.	.			trans	-137.5	-172.2	179.8	62.6	47.6	0	0	0	110.8	S222 N223 S224	N220-S222 PolarHBondContact O-N 3.09Å; N220-S222 WeakPolarHBondContact OD1-CB 3.44Å; N220-S222 PolarHBondContact OD1-N 3.11Å; N220-S222 PolarHBondContact OD1-OG 2.84Å; N220-N223 PolarHBondContact N-OD1 3.42Å; N220-N223 PolarHBondContact O-N 3.22Å; N220-N223 PolarHBondContact O-OD1 3.26Å; N220-S224 PolarHBondContact N-OG 2.83Å; N220-S224 WeakPolarHBondContact O-CB 3.36Å; N220-S224 PolarHBondContact O-N 3.41Å; N220-S224 PolarHBondContact O-OG 3.48Å
221	S	96.9	Very high	96.5	Very high	46 Å²	46	62.3 Å²	62.3	32%	0.322	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-18.5	-179.5	57.2	0	0	0	0	116.1	Y159 H160	Y159-S221 WeakPolarHBondContact O-CA 3.48Å; H160-S221 WeakPolarHBondContact O-CB 3.48Å
222	S	96.9	Very high	96.1	Very high	92 Å²	92	69.6 Å²	69.6	64%	0.643	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-18.8	177	70.5	0	0	0	0	114.8	N220	N220-S222 PolarHBondContact O-N 3.09Å; N220-S222 WeakPolarHBondContact OD1-CB 3.44Å; N220-S222 PolarHBondContact OD1-N 3.11Å; N220-S222 PolarHBondContact OD1-OG 2.84Å
223	N	97.5	Very high	95.8	Very high	70 Å²	70	73 Å²	73	37%	0.374	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.9	3.4	-169.7	64.2	5.9	0	0	0	115.7	T219 N220	T219-N223 VanDerWaalsContact CA-OD1 3.26Å; T219-N223 WeakPolarHBondContact CA-OD1 3.23Å; T219-N223 WeakPolarHBondContact CB-OD1 3.45Å; N220-N223 PolarHBondContact N-OD1 3.42Å; N220-N223 PolarHBondContact O-N 3.22Å; N220-N223 PolarHBondContact O-OD1 3.26Å
224	S	98.2	Very high	95.5	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.387	C	S	.	.	S	Bend	trans	-74.7	-31.8	169.8	-62.1	0	0	0	0	112.4	L138 N139 L142 Y159 T219 N220	L138-S224 PolarHBondContact N-O 2.97Å; N139-S224 PolarHBondContact N-O 3.39Å; L142-S224 WeakPolarHBondContact CD1-O 3.42Å; Y159-S224 WeakPolarHBondContact CD1-OG 3.38Å; T219-S224 VanDerWaalsContact CB-OG 3.24Å; T219-S224 WeakPolarHBondContact CB-OG 3.47Å; T219-S224 PolarHBondContact OG1-OG 3.41Å; N220-S224 PolarHBondContact N-OG 2.83Å; N220-S224 WeakPolarHBondContact O-CB 3.36Å; N220-S224 PolarHBondContact O-N 3.41Å; N220-S224 PolarHBondContact O-OG 3.48Å
225	F	98.6	Very high	95.3	Very high	9 Å²	9	78.8 Å²	78.8	4%	0.039	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.6	178.8	-61.2	-90.2	0	0	0	111.4	L135 L136 P137 L142 V154 S155 Y159 I172	L135-F225 HydrophobicContact CD1-CB 3.67Å; L135-F225 HydrophobicContact CD1-CD1 4.12Å; L135-F225 HydrophobicContact CD1-CG 3.98Å; L135-F225 HydrophobicContact CD2-CD1 4.34Å; L135-F225 HydrophobicContact CG-CB 4.35Å; L135-F225 HydrophobicContact CG-CD1 3.87Å; L135-F225 HydrophobicContact CG-CG 4.24Å; L136-F225 CarbonylContact O-C 3.58Å; L136-F225 VanDerWaalsContact O-CA 3.23Å; L136-F225 WeakPolarHBondContact O-CA 3.37Å; P137-F225 HydrophobicContact CB-CD1 4.2Å; P137-F225 HydrophobicContact CB-CE1 4.03Å; L142-F225 HydrophobicContact CD1-CD1 4.32Å; L142-F225 HydrophobicContact CD1-CD2 4.48Å; L142-F225 HydrophobicContact CD1-CE1 3.69Å; L142-F225 HydrophobicContact CD1-CE2 3.89Å; L142-F225 HydrophobicContact CD1-CZ 3.44Å; L142-F225 VanDerWaalsContact CD1-CZ 3.44Å; L142-F225 HydrophobicContact CD2-CE2 4.2Å; L142-F225 HydrophobicContact CD2-CZ 3.84Å; L142-F225 HydrophobicContact CG-CZ 4.23Å; V154-F225 HydrophobicContact CG1-CZ 4.36Å; S155-F225 VanDerWaalsContact CA-CZ 3.49Å; Y159-F225 WeakPolarHBondContact O-CD2 3.11Å; I172-F225 HydrophobicContact CD1-CD1 4.09Å; I172-F225 HydrophobicContact CD1-CE1 3.58Å
226	R	98.1	Very high	95.3	Very high	146 Å²	146	78.2 Å²	78.2	55%	0.551	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.3	164	179	-177.9	176.1	-175.9	0	108.8	L136 L138 I228	L136-R226 HydrophobicContact CB-CB 4.27Å; L136-R226 PolarHBondContact N-O 3.26Å; L136-R226 PolarHBondContact O-N 2.92Å; L138-R226 HydrophobicContact CD1-CB 4.06Å; L138-R226 HydrophobicContact CD2-CB 4.06Å; L138-R226 HydrophobicContact CG-CB 4.18Å; R226-I228 HydrophobicContact CG-CG2 3.96Å
227	H	97.6	Very high	95.3	Very high	57 Å²	57	72.4 Å²	72.4	26%	0.264	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	112.6	175.7	-167.2	-146.5	0	0	0	110.4	D134 L135 P161 H229	D134-H227 CarbonylContact O-C 3.57Å; D134-H227 WeakPolarHBondContact O-CA 3.35Å; D134-H227 PolarHBondContact O-CD2 2.87Å; D134-H227 VanDerWaalsContact O-CD2 3.28Å; D134-H227 IonicContact OD1-CD2 3.73Å; D134-H227 IonicContact OD1-NE2 3.91Å; D134-H227 IonicContact OD2-CD2 3.66Å; D134-H227 IonicContact OD2-NE2 3.54Å; D134-H227 PolarHBondContact OD2-NE2 3.15Å; L135-H227 HydrophobicContact CD1-CB 4.45Å; P161-H227 HydrophobicContact CB-CB 4.43Å; P161-H227 HydrophobicContact CG-CB 3.9Å; H227-H229 WeakPolarHBondContact CE1-CB 3.26Å; H227-H229 WeakPolarHBondContact NE2-CB 3.32Å
228	I	97.1	Very high	95.2	Very high	30 Å²	30	76.2 Å²	76.2	15%	0.154	39%	0.39	C	S	.	.			trans	-101.8	53	-177	57.5	164.5	0	0	0	111.9	E74 V77 D134 L136 R226	E74-I228 HydrophobicContact CB-CD1 3.92Å; E74-I228 HydrophobicContact CB-CG1 4.49Å; E74-I228 HydrophobicContact CG-CD1 4.12Å; E74-I228 HydrophobicContact CG-CG1 4.27Å; E74-I228 WeakPolarHBondContact CG-O 3.2Å; V77-I228 HydrophobicContact CB-CD1 3.84Å; V77-I228 HydrophobicContact CG1-CD1 4.03Å; V77-I228 HydrophobicContact CG2-CD1 4.48Å; D134-I228 HydrophobicContact CB-CG1 4.09Å; D134-I228 VanDerWaalsContact O-CG1 3.31Å; D134-I228 WeakPolarHBondContact O-CG1 3.19Å; D134-I228 PolarHBondContact O-N 3.49Å; L136-I228 HydrophobicContact CD1-CD1 4.06Å; L136-I228 HydrophobicContact CD1-CG1 4.39Å; L136-I228 HydrophobicContact CD1-CG2 4.11Å; L136-I228 HydrophobicContact CD2-CD1 4.41Å; L136-I228 HydrophobicContact CG-CD1 4.3Å; L136-I228 HydrophobicContact CG-CG1 4.36Å; R226-I228 HydrophobicContact CG-CG2 3.96Å
229	H	93.6	Very high	95.1	Very high	40 Å²	40	77 Å²	77	19%	0.185	37%	0.37	C	S	.	.			trans	-100.7	119.8	-179	-175.1	80.8	0	0	0	112.2	D134 H227 H234	D134-H229 IonicContact OD2-CG 3.91Å; D134-H229 IonicContact OD2-ND1 3.59Å; D134-H229 PolarHBondContact OD2-ND1 2.89Å; D134-H229 VanDerWaalsContact OD2-ND1 3.07Å; H227-H229 WeakPolarHBondContact CE1-CB 3.26Å; H227-H229 WeakPolarHBondContact NE2-CB 3.32Å; H229-H234 PolarHBondContact CE1-O 3.27Å
230	D	92.5	Very high	95	Very high	70 Å²	70	79.6 Å²	79.6	37%	0.374	38%	0.376	S	S	.	.			trans	-92.6	98.8	168.9	-173	-34.3	0	0	0	110.4	K232 L233 H234	D230-K232 PolarHBondContact O-N 3.4Å; D230-K232 WeakPolarHBondContact OD1-CA 3.43Å; D230-K232 WeakPolarHBondContact OD1-CB 3.47Å; D230-K232 PolarHBondContact OD1-N 3.33Å; D230-L233 HydrophobicContact CB-CB 4.1Å; D230-L233 HydrophobicContact CB-CD1 4.2Å; D230-L233 HydrophobicContact CB-CG 4.3Å; D230-L233 PolarHBondContact O-N 3.36Å; D230-L233 PolarHBondContact OD1-N 3.1Å; D230-L233 VanDerWaalsContact OD2-CD1 3.28Å; D230-L233 WeakPolarHBondContact OD2-CD1 3.38Å; D230-L233 WeakPolarHBondContact OD2-CG 3.31Å; D230-H234 WeakPolarHBondContact O-CA 3.32Å; D230-H234 VanDerWaalsContact O-CB 3.28Å; D230-H234 WeakPolarHBondContact O-CB 3.47Å; D230-H234 PolarHBondContact O-N 3.03Å
231	E	89.5	Confident	94.8	Very high	125 Å²	125	77.5 Å²	77.5	58%	0.584	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.5	-177.9	-172.5	165.2	-154.5	0	0	113.4	K235	E231-K235 WeakPolarHBondContact O-CG 3.45Å; E231-K235 PolarHBondContact O-N 3.42Å
232	K	91.4	Very high	94.5	Very high	186 Å²	186	79.1 Å²	79.1	81%	0.809	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-43.1	178.2	-64.5	179.9	-179.1	175.3	0	110.7	D230	D230-K232 PolarHBondContact O-N 3.4Å; D230-K232 WeakPolarHBondContact OD1-CA 3.43Å; D230-K232 WeakPolarHBondContact OD1-CB 3.47Å; D230-K232 PolarHBondContact OD1-N 3.33Å
233	L	90.6	Very high	94.3	Very high	110 Å²	110	78.6 Å²	78.6	58%	0.576	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-30.6	177.7	-65.2	179.5	0	0	0	112.6	D230	D230-L233 HydrophobicContact CB-CB 4.1Å; D230-L233 HydrophobicContact CB-CD1 4.2Å; D230-L233 HydrophobicContact CB-CG 4.3Å; D230-L233 PolarHBondContact O-N 3.36Å; D230-L233 PolarHBondContact OD1-N 3.1Å; D230-L233 VanDerWaalsContact OD2-CD1 3.28Å; D230-L233 WeakPolarHBondContact OD2-CD1 3.38Å; D230-L233 WeakPolarHBondContact OD2-CG 3.31Å
234	H	91.6	Very high	94.2	Very high	29 Å²	29	75.4 Å²	75.4	13%	0.134	36%	0.362	C	S	.	.	S	Bend	trans	-131.1	43.9	-163.5	-66.2	-33.5	0	0	0	113.8	N70 R71 E74 H229 D230 R236	N70-H234 PolarHBondContact O-CE1 2.94Å; N70-H234 VanDerWaalsContact O-CE1 3.25Å; R71-H234 VanDerWaalsContact CZ-CB 3.48Å; R71-H234 PolarHBondContact NH1-ND1 2.94Å; E74-H234 IonicContact OE1-CD2 2.87Å; E74-H234 PolarHBondContact OE1-CD2 3.39Å; E74-H234 IonicContact OE1-CG 3.87Å; E74-H234 IonicContact OE1-NE2 3.39Å; E74-H234 PolarHBondContact OE1-NE2 3.35Å; E74-H234 IonicContact OE2-CD2 3.95Å; E74-H234 IonicContact OE2-NE2 3.62Å; H229-H234 PolarHBondContact CE1-O 3.27Å; D230-H234 WeakPolarHBondContact O-CA 3.32Å; D230-H234 VanDerWaalsContact O-CB 3.28Å; D230-H234 WeakPolarHBondContact O-CB 3.47Å; D230-H234 PolarHBondContact O-N 3.03Å; H234-R236 PolarHBondContact O-N 1.99Å
235	K	93.2	Very high	94.1	Very high	163 Å²	163	77.2 Å²	77.2	71%	0.709	38%	0.377	S	S	*	.			trans	-45.3	130.5	174.8	-65.9	-174	-178.4	-175.8	0	112.5	E231	E231-K235 WeakPolarHBondContact O-CG 3.45Å; E231-K235 PolarHBondContact O-N 3.42Å
236	R	94.2	Very high	93.9	Very high	70 Å²	70	80.8 Å²	80.8	26%	0.264	40%	0.399	S	S	.	.			trans	-63.1	137.8	174.3	-66.6	175.2	179.4	122.6	0.4	110.5	Y163 W193 H234 M238	Y163-R236 PolarHBondContact OH-NH2 2.88Å; W193-R236 HydrophobicContact CB-CB 4.1Å; W193-R236 HydrophobicContact CD2-CB 4.29Å; W193-R236 HydrophobicContact CD2-CG 4.38Å; W193-R236 HydrophobicContact CG-CB 3.9Å; W193-R236 HydrophobicContact CG-CG 4.07Å; H234-R236 PolarHBondContact O-N 1.99Å; R236-M238 VanDerWaalsContact C-N 3.28Å; R236-M238 HydrophobicContact CB-CG 4.11Å; R236-M238 HydrophobicContact CB-SD 3.94Å; R236-M238 PolarHBondContact O-N 3.46Å
237	D	95.4	Very high	93.8	Very high	35 Å²	35	76.3 Å²	76.3	19%	0.187	39%	0.385	C	S	.	.			trans	-79.6	79	175.5	-174.4	-4.3	0	0	0	110.5	R106 W193 R239	R106-D237 IonicContact CZ-OD1 3.77Å; R106-D237 IonicContact CZ-OD2 2.59Å; R106-D237 IonicContact NE-OD1 3.62Å; R106-D237 IonicContact NE-OD2 2.84Å; R106-D237 PolarHBondContact NE-OD2 2.92Å; R106-D237 IonicContact NH2-OD1 2.74Å; R106-D237 PolarHBondContact NH2-OD1 3.02Å; R106-D237 IonicContact NH2-OD2 3.24Å; R106-D237 PolarHBondContact NH2-OD2 2.79Å; W193-D237 PolarHBondContact N-O 3.43Å; D237-R239 VanDerWaalsContact C-N 3.28Å; D237-R239 PolarHBondContact O-N 3.39Å; D237-R239 IonicContact OD1-CZ 3.07Å; D237-R239 IonicContact OD1-NE 3.63Å; D237-R239 IonicContact OD1-NH2 2.8Å; D237-R239 IonicContact OD2-NH2 3.57Å
238	M	95	Very high	93.6	Very high	106 Å²	106	74 Å²	74	52%	0.522	37%	0.374	S	S	.	.			trans	-78	-8.4	-176.6	-60.5	-62.2	-79.6	0	0	113.7	W193 R236 R240	W193-M238 HydrophobicContact CD2-SD 3.83Å; W193-M238 HydrophobicContact CE3-CE 3.81Å; W193-M238 HydrophobicContact CE3-SD 3.11Å; W193-M238 HydrophobicContact CG-SD 4.42Å; W193-M238 HydrophobicContact CZ3-CE 3.63Å; W193-M238 HydrophobicContact CZ3-SD 3.58Å; W193-M238 VanDerWaalsContact CZ3-SD 3.58Å; R236-M238 VanDerWaalsContact C-N 3.28Å; R236-M238 HydrophobicContact CB-CG 4.11Å; R236-M238 HydrophobicContact CB-SD 3.94Å; R236-M238 PolarHBondContact O-N 3.46Å; M238-R240 PolarHBondContact O-N 2.85Å; M238-R240 PolarHBondContact O-NH1 3.11Å
239	R	94.6	Very high	93.5	Very high	124 Å²	124	82.1 Å²	82.1	47%	0.468	40%	0.403	S	S	.	.			trans	-60.5	141.4	-175	-65.7	-173.3	-60.5	-104.4	-0.6	110.5	R106 D237 Q244	R106-R239 PolarHBondContact NH2-O 2.83Å; D237-R239 VanDerWaalsContact C-N 3.28Å; D237-R239 PolarHBondContact O-N 3.39Å; D237-R239 IonicContact OD1-CZ 3.07Å; D237-R239 IonicContact OD1-NE 3.63Å; D237-R239 IonicContact OD1-NH2 2.8Å; D237-R239 IonicContact OD2-NH2 3.57Å; R239-Q244 PolarHBondContact O-OE1 3.17Å
240	R	94.8	Very high	93.6	Very high	84 Å²	84	85.3 Å²	85.3	32%	0.317	42%	0.416	S	S	.	.			trans	-118.7	122.2	171.3	-59.1	-60.8	-179	-113.7	7.7	108	W193 M238 A245	W193-R240 PolarHBondContact O-NH1 2.78Å; W193-R240 PolarHBondContact O-NH2 2.88Å; M238-R240 PolarHBondContact O-N 2.85Å; M238-R240 PolarHBondContact O-NH1 3.11Å; R240-A245 HydrophobicContact CB-CB 4.25Å; R240-A245 HydrophobicContact CG-CB 4.31Å
241	L	93	Very high	93.8	Very high	35 Å²	35	84.4 Å²	84.4	18%	0.183	41%	0.408	C	S	.	.			trans	-112.5	134	-174.1	-55.8	176.6	0	0	0	110.3	N243 Q244 W293	L241-N243 PolarHBondContact O-N 2.93Å; L241-Q244 WeakPolarHBondContact O-CB 3.49Å; L241-Q244 PolarHBondContact O-N 3.36Å; L241-Q244 VanDerWaalsContact O-N 3.07Å; L241-W293 HydrophobicContact CB-CB 3.8Å; L241-W293 HydrophobicContact CD1-CB 4.44Å; L241-W293 HydrophobicContact CG-CB 4.49Å
242	G	91	Very high	94.2	Very high	81 Å²	81	78.8 Å²	78.8	84%	0.835	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	-131.3	-178.2	0	0	0	0	0	111.8	Q244	G242-Q244 VanDerWaalsContact C-N 3.28Å; G242-Q244 PolarHBondContact O-N 3.14Å
243	N	92.8	Very high	94.5	Very high	80 Å²	80	78.1 Å²	78.1	43%	0.428	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	10.9	177.7	63.7	-25.2	0	0	0	114.2	L241 A245 V246 E247 W293	L241-N243 PolarHBondContact O-N 2.93Å; N243-A245 VanDerWaalsContact C-N 3.27Å; N243-A245 PolarHBondContact O-N 3.44Å; N243-A245 VanDerWaalsContact O-N 3.16Å; N243-V246 PolarHBondContact O-N 3.38Å; N243-E247 HydrophobicContact CB-CG 4.41Å; N243-E247 VanDerWaalsContact ND2-CG 3.34Å; N243-E247 WeakPolarHBondContact ND2-CG 3.02Å; N243-E247 PolarHBondContact O-N 2.93Å; N243-W293 VanDerWaalsContact OD1-CZ3 3.25Å; N243-W293 WeakPolarHBondContact OD1-CZ3 3.27Å
244	Q	96.1	Very high	94.8	Very high	4 Å²	4	81 Å²	81	2%	0.019	38%	0.382	C	S	.	.	H	α-helix	trans	-49.3	-46.8	-177.1	-177.9	176.9	13.4	0	0	112.3	W191 R239 L241 G242 V246 E247 T248 W293	W191-Q244 PolarHBondContact O-NE2 3.27Å; R239-Q244 PolarHBondContact O-OE1 3.17Å; L241-Q244 WeakPolarHBondContact O-CB 3.49Å; L241-Q244 PolarHBondContact O-N 3.36Å; L241-Q244 VanDerWaalsContact O-N 3.07Å; G242-Q244 VanDerWaalsContact C-N 3.28Å; G242-Q244 PolarHBondContact O-N 3.14Å; Q244-V246 PolarHBondContact O-N 3.25Å; Q244-E247 PolarHBondContact O-N 3.25Å; Q244-T248 HydrophobicContact CG-CG2 3.71Å; Q244-T248 WeakPolarHBondContact O-CB 3.43Å; Q244-T248 WeakPolarHBondContact O-CG2 3.22Å; Q244-T248 PolarHBondContact O-N 3.16Å; Q244-T248 PolarHBondContact O-OG1 2.8Å; Q244-W293 HydrophobicContact CB-CB 3.98Å; Q244-W293 HydrophobicContact CB-CD2 3.72Å; Q244-W293 HydrophobicContact CB-CE3 3.93Å; Q244-W293 HydrophobicContact CB-CG 3.74Å; Q244-W293 HydrophobicContact CG-CB 4.18Å; Q244-W293 HydrophobicContact CG-CD2 3.88Å; Q244-W293 HydrophobicContact CG-CG 3.67Å; Q244-W293 VanDerWaalsContact NE2-CD1 3.35Å
245	A	94.7	Very high	95.1	Very high	38 Å²	38	80.9 Å²	80.9	31%	0.314	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-27.2	-176.9	0	0	0	0	0	113.9	R240 N243 R249	R240-A245 HydrophobicContact CB-CB 4.25Å; R240-A245 HydrophobicContact CG-CB 4.31Å; N243-A245 VanDerWaalsContact C-N 3.27Å; N243-A245 PolarHBondContact O-N 3.44Å; N243-A245 VanDerWaalsContact O-N 3.16Å; A245-R249 WeakPolarHBondContact O-CD 3.22Å; A245-R249 WeakPolarHBondContact O-CG 3.03Å
246	V	95.7	Very high	95.4	Very high	84 Å²	84	73.1 Å²	73.1	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-84.3	-45.5	175.8	176.5	0	0	0	0	110	N243 Q244 R249	N243-V246 PolarHBondContact O-N 3.38Å; Q244-V246 PolarHBondContact O-N 3.25Å; V246-R249 PolarHBondContact O-N 3.06Å
247	E	95.1	Very high	95.6	Very high	52 Å²	52	69.9 Å²	69.9	24%	0.243	34%	0.337	C	S	.	.	H	α-helix	trans	-67.9	-39	-176.8	-68.1	-58	118.5	0	0	112.9	N243 Q244 R249 K250 W293	N243-E247 HydrophobicContact CB-CG 4.41Å; N243-E247 VanDerWaalsContact ND2-CG 3.34Å; N243-E247 WeakPolarHBondContact ND2-CG 3.02Å; N243-E247 PolarHBondContact O-N 2.93Å; Q244-E247 PolarHBondContact O-N 3.25Å; E247-R249 PolarHBondContact O-N 3.33Å; E247-K250 PolarHBondContact O-N 3.48Å; E247-K250 VanDerWaalsContact O-N 3.12Å; E247-K250 IonicContact OE1-NZ 3.88Å; E247-K250 PolarHBondContact OE1-NZ 3.32Å; E247-W293 HydrophobicContact CB-CH2 3.75Å; E247-W293 HydrophobicContact CB-CZ2 4.23Å; E247-W293 HydrophobicContact CB-CZ3 4.46Å; E247-W293 HydrophobicContact CG-CH2 3.9Å; E247-W293 HydrophobicContact CG-CZ3 4.32Å
248	T	94.8	Very high	95.7	Very high	7 Å²	7	73.9 Å²	73.9	4%	0.043	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-2.9	178.9	60.8	0	0	0	0	113.8	Y190 Q244	Y190-T248 HydrophobicContact CD1-CG2 4.21Å; Y190-T248 HydrophobicContact CE1-CG2 4.06Å; Y190-T248 PolarHBondContact OH-O 3.25Å; Q244-T248 HydrophobicContact CG-CG2 3.71Å; Q244-T248 WeakPolarHBondContact O-CB 3.43Å; Q244-T248 WeakPolarHBondContact O-CG2 3.22Å; Q244-T248 PolarHBondContact O-N 3.16Å; Q244-T248 PolarHBondContact O-OG1 2.8Å
249	R	94.8	Very high	95.9	Very high	202 Å²	202	72 Å²	72	76%	0.762	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-6.9	171.6	-70.6	179	177.8	162.6	-0.6	112.5	L195 A245 V246 E247	L195-R249 HydrophobicContact CD1-CG 4.42Å; A245-R249 WeakPolarHBondContact O-CD 3.22Å; A245-R249 WeakPolarHBondContact O-CG 3.03Å; V246-R249 PolarHBondContact O-N 3.06Å; E247-R249 PolarHBondContact O-N 3.33Å
250	K	95.8	Very high	96	Very high	107 Å²	107	67.2 Å²	67.2	47%	0.465	33%	0.333	S	S	.	.	S	Bend	trans	-92.4	143.9	176.1	-63.9	173.8	-176.9	169.9	0	109.4	E247 D252	E247-K250 PolarHBondContact O-N 3.48Å; E247-K250 VanDerWaalsContact O-N 3.12Å; E247-K250 IonicContact OE1-NZ 3.88Å; E247-K250 PolarHBondContact OE1-NZ 3.32Å; K250-D252 PolarHBondContact O-N 2.96Å
251	R	96.9	Very high	96.2	Very high	50 Å²	50	69.9 Å²	69.9	19%	0.189	35%	0.347	C	S	.	.			trans	-62.5	120	169.3	177.2	68.4	-162.5	84.7	17.9	109.8	E199 R203 E206 R253	E199-R251 IonicContact OE1-CZ 2.72Å; E199-R251 IonicContact OE1-NE 2.73Å; E199-R251 IonicContact OE1-NH1 2.85Å; E199-R251 PolarHBondContact OE1-NH1 3.41Å; E199-R251 IonicContact OE2-CZ 3.94Å; E199-R251 IonicContact OE2-NH1 3.35Å; E199-R251 PolarHBondContact OE2-NH1 2.95Å; R203-R251 VanDerWaalsContact CG-NH2 3.32Å; R203-R251 VanDerWaalsContact CZ-NH2 3.35Å; R203-R251 VanDerWaalsContact NH2-NH1 3.2Å; E206-R251 WeakPolarHBondContact OE1-CG 3.33Å; E206-R251 IonicContact OE1-NE 3.76Å; E206-R251 IonicContact OE2-NE 3.7Å; E206-R251 PolarHBondContact OE2-NE 3.16Å; R251-R253 HydrophobicContact CG-CG 4.17Å; R251-R253 PolarHBondContact O-N 3.12Å
252	D	97.5	Very high	96.5	Very high	7 Å²	7	71.7 Å²	71.7	4%	0.037	35%	0.352	C	S	.	.			trans	-85.5	93	179.2	-177.9	27.4	0	0	0	113.5	S187 K189 E199 R203 K250 K254 T255	S187-D252 WeakPolarHBondContact CB-OD2 3.49Å; S187-D252 PolarHBondContact OG-OD2 3.11Å; K189-D252 HydrophobicContact CD-CB 4.33Å; K189-D252 WeakPolarHBondContact CD-OD2 3.34Å; K189-D252 VanDerWaalsContact CE-OD1 3.31Å; K189-D252 WeakPolarHBondContact CE-OD1 2.91Å; K189-D252 IonicContact NZ-OD1 3.32Å; K189-D252 PolarHBondContact NZ-OD1 3.2Å; K189-D252 IonicContact NZ-OD2 3.42Å; E199-D252 PolarHBondContact OE1-N 3.27Å; R203-D252 PolarHBondContact NH2-O 2.99Å; K250-D252 PolarHBondContact O-N 2.96Å; D252-K254 VanDerWaalsContact C-N 3.28Å; D252-K254 PolarHBondContact O-N 2.88Å; D252-K254 PolarHBondContact OD1-N 3.18Å; D252-K254 VanDerWaalsContact OD1-N 3.09Å; D252-T255 PolarHBondContact OD1-N 3.2Å; D252-T255 WeakPolarHBondContact OD2-CB 3.17Å; D252-T255 PolarHBondContact OD2-N 3.33Å; D252-T255 PolarHBondContact OD2-OG1 3.34Å
253	R	97.3	Very high	96.9	Very high	172 Å²	172	75.8 Å²	75.8	65%	0.649	34%	0.342	S	S	*	.	S	Bend	trans	-82.6	-0.5	176	-58.8	-170.4	177.3	-69.6	-0.8	114.5	E206 R251	E206-R253 VanDerWaalsContact CD-NH1 3.34Å; E206-R253 VanDerWaalsContact CD-NH2 3.25Å; E206-R253 IonicContact OE1-CZ 3.32Å; E206-R253 VanDerWaalsContact OE1-CZ 3.32Å; E206-R253 IonicContact OE1-NH1 3.56Å; E206-R253 PolarHBondContact OE1-NH1 3.16Å; E206-R253 IonicContact OE1-NH2 2.66Å; E206-R253 PolarHBondContact OE1-NH2 3.03Å; E206-R253 IonicContact OE2-CZ 3.46Å; E206-R253 IonicContact OE2-NH1 2.69Å; E206-R253 PolarHBondContact OE2-NH1 3.32Å; E206-R253 IonicContact OE2-NH2 3.48Å; E206-R253 PolarHBondContact OE2-NH2 3.1Å; R251-R253 HydrophobicContact CG-CG 4.17Å; R251-R253 PolarHBondContact O-N 3.12Å
254	K	96.6	Very high	97.1	Very high	171 Å²	171	73.9 Å²	73.9	74%	0.743	33%	0.333	S	S	*	.	S	Bend	trans	-100.9	-35.8	-172.8	-64.5	-173.9	179.5	-177.3	0	113.2	D252	D252-K254 VanDerWaalsContact C-N 3.28Å; D252-K254 PolarHBondContact O-N 2.88Å; D252-K254 PolarHBondContact OD1-N 3.18Å; D252-K254 VanDerWaalsContact OD1-N 3.09Å
255	T	98.1	Very high	97.3	Very high	26 Å²	26	76.5 Å²	76.5	16%	0.16	35%	0.347	C	S	.	.			trans	-117.2	156.5	-177	85.7	0	0	0	0	112.6	S187 N188 K189 R203 D252 T259	S187-T255 PolarHBondContact OG-OG1 3.05Å; N188-T255 PolarHBondContact N-OG1 3.28Å; K189-T255 HydrophobicContact CG-CG2 4.24Å; R203-T255 PolarHBondContact NH1-O 3.4Å; R203-T255 PolarHBondContact NH2-O 3.01Å; D252-T255 PolarHBondContact OD1-N 3.2Å; D252-T255 WeakPolarHBondContact OD2-CB 3.17Å; D252-T255 PolarHBondContact OD2-N 3.33Å; D252-T255 PolarHBondContact OD2-OG1 3.34Å; T255-T259 VanDerWaalsContact CA-OG1 3.26Å; T255-T259 WeakPolarHBondContact CA-OG1 3.28Å
256	G	98.5	Very high	97.5	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	174.2	-168.9	-169.4	0	0	0	0	0	111.9	N184 M186 N188 H258 T259 L260	N184-G256 CarbonylContact O-C 3.55Å; N184-G256 WeakPolarHBondContact O-CA 3.49Å; M186-G256 WeakPolarHBondContact O-CA 3.33Å; N188-G256 PolarHBondContact ND2-N 2.98Å; N188-G256 PolarHBondContact ND2-O 3.33Å; G256-H258 VanDerWaalsContact C-N 3.34Å; G256-H258 PolarHBondContact O-N 3.3Å; G256-T259 PolarHBondContact N-OG1 3.3Å; G256-T259 PolarHBondContact O-N 3.21Å; G256-T259 VanDerWaalsContact O-N 3.16Å; G256-T259 PolarHBondContact O-OG1 3.05Å; G256-T259 VanDerWaalsContact O-OG1 3.06Å; G256-L260 PolarHBondContact O-N 3.07Å
257	L	98.7	Very high	97.6	Very high	2 Å²	2	79.3 Å²	79.3	1%	0.01	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-48.3	-51.1	176	-179.4	62	0	0	0	112.9	N114 F117 F118 F180 D181 N184 T259 L260	N114-L257 HydrophobicContact CB-CD1 3.97Å; F117-L257 HydrophobicContact CB-CD1 4.2Å; F117-L257 HydrophobicContact CD1-CD1 3.58Å; F117-L257 HydrophobicContact CD1-CD2 3.71Å; F117-L257 HydrophobicContact CD1-CG 4.21Å; F117-L257 HydrophobicContact CD2-CD2 4.41Å; F117-L257 HydrophobicContact CE1-CD1 4.2Å; F117-L257 HydrophobicContact CE1-CD2 3.56Å; F117-L257 HydrophobicContact CE1-CG 4.36Å; F117-L257 HydrophobicContact CE2-CD2 4.26Å; F117-L257 HydrophobicContact CG-CD1 4.03Å; F117-L257 HydrophobicContact CG-CD2 4.14Å; F117-L257 HydrophobicContact CZ-CD2 3.83Å; F118-L257 HydrophobicContact CD2-CD1 4.13Å; F118-L257 HydrophobicContact CE1-CD1 4.21Å; F118-L257 HydrophobicContact CE2-CD1 3.43Å; F118-L257 VanDerWaalsContact CE2-CD1 3.43Å; F118-L257 HydrophobicContact CE2-CG 4.32Å; F118-L257 HydrophobicContact CZ-CD1 3.48Å; F118-L257 VanDerWaalsContact CZ-CD1 3.48Å; F118-L257 HydrophobicContact CZ-CG 3.91Å; F180-L257 HydrophobicContact CD1-CD2 4.26Å; F180-L257 HydrophobicContact CE1-CD1 4.36Å; F180-L257 HydrophobicContact CE1-CD2 4.45Å; D181-L257 VanDerWaalsContact OD1-CD2 3.29Å; D181-L257 WeakPolarHBondContact OD1-CD2 3.31Å; N184-L257 PolarHBondContact O-N 3.23Å; N184-L257 PolarHBondContact OD1-N 3.15Å; N184-L257 VanDerWaalsContact OD1-N 3.11Å; L257-T259 VanDerWaalsContact C-N 3.25Å; L257-T259 PolarHBondContact O-N 2.94Å; L257-L260 WeakPolarHBondContact O-CB 3.46Å; L257-L260 PolarHBondContact O-N 3.39Å
258	H	98.2	Very high	97.8	Very high	120 Å²	120	79.6 Å²	79.6	56%	0.556	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-77.9	-5.1	-174.4	-55.1	-56.4	0	0	0	114.8	D181 N184 G256	D181-H258 IonicContact OD1-CE1 2.71Å; D181-H258 PolarHBondContact OD1-CE1 3.17Å; D181-H258 IonicContact OD1-NE2 3.43Å; N184-H258 PolarHBondContact OD1-CD2 3.43Å; N184-H258 PolarHBondContact OD1-N 3.49Å; G256-H258 VanDerWaalsContact C-N 3.34Å; G256-H258 PolarHBondContact O-N 3.3Å
259	T	98.3	Very high	98	Very high	66 Å²	66	85.2 Å²	85.2	41%	0.405	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-113.8	1.9	176.3	57.4	0	0	0	0	112.3	N188 T255 G256 L257 K261	N188-T259 PolarHBondContact ND2-OG1 3.41Å; T255-T259 VanDerWaalsContact CA-OG1 3.26Å; T255-T259 WeakPolarHBondContact CA-OG1 3.28Å; G256-T259 PolarHBondContact N-OG1 3.3Å; G256-T259 PolarHBondContact O-N 3.21Å; G256-T259 VanDerWaalsContact O-N 3.16Å; G256-T259 PolarHBondContact O-OG1 3.05Å; G256-T259 VanDerWaalsContact O-OG1 3.06Å; L257-T259 VanDerWaalsContact C-N 3.25Å; L257-T259 PolarHBondContact O-N 2.94Å; T259-K261 PolarHBondContact O-N 3.35Å
260	L	98.6	Very high	98.1	Very high	23 Å²	23	79 Å²	79	12%	0.12	36%	0.356	C	S	.	.			trans	-62.3	131.3	178.2	-179.6	69.7	0	0	0	110	N114 V115 F118 N188 G256 L257 Y262 L284	N114-L260 HydrophobicContact CB-CD2 3.62Å; V115-L260 HydrophobicContact CG2-CD2 3.72Å; F118-L260 HydrophobicContact CE2-CD2 4.25Å; N188-L260 WeakPolarHBondContact ND2-CA 3.33Å; N188-L260 PolarHBondContact ND2-N 3.26Å; N188-L260 VanDerWaalsContact OD1-CD1 3.28Å; N188-L260 WeakPolarHBondContact OD1-CD1 3.15Å; G256-L260 PolarHBondContact O-N 3.07Å; L257-L260 WeakPolarHBondContact O-CB 3.46Å; L257-L260 PolarHBondContact O-N 3.39Å; L260-Y262 HydrophobicContact CD2-CD1 3.65Å; L260-Y262 HydrophobicContact CD2-CE1 3.79Å; L260-Y262 HydrophobicContact CD2-CG 4.44Å; L260-Y262 HydrophobicContact CG-CD1 3.77Å; L260-Y262 HydrophobicContact CG-CE1 4.3Å; L260-L284 HydrophobicContact CD1-CD2 4.47Å
261	K	98.4	Very high	98.3	Very high	141 Å²	141	76.7 Å²	76.7	61%	0.613	36%	0.357	S	S	*	.			trans	-118.5	121.9	173.3	-66.9	-176.5	-178.4	-177.7	0	109	T259 H285	T259-K261 PolarHBondContact O-N 3.35Å; K261-H285 HydrophobicContact CB-CB 3.71Å; K261-H285 WeakPolarHBondContact O-CB 3.29Å; K261-H285 PolarHBondContact O-N 2.89Å
262	Y	98.7	Very high	98.3	Very high	72 Å²	72	75.3 Å²	75.3	28%	0.282	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	164.7	-179.5	71.4	-71.4	0	0	0	110.1	V115 F118 L260 V264 V282 A283	V115-Y262 HydrophobicContact CB-CE2 4.3Å; V115-Y262 HydrophobicContact CG1-CD2 4.21Å; V115-Y262 HydrophobicContact CG1-CE2 3.76Å; V115-Y262 HydrophobicContact CG2-CD1 4.11Å; V115-Y262 HydrophobicContact CG2-CD2 3.59Å; V115-Y262 HydrophobicContact CG2-CE1 4.26Å; V115-Y262 HydrophobicContact CG2-CE2 3.76Å; V115-Y262 HydrophobicContact CG2-CG 3.77Å; F118-Y262 HydrophobicContact CD2-CE1 4.2Å; F118-Y262 HydrophobicContact CE2-CE1 4.38Å; L260-Y262 HydrophobicContact CD2-CD1 3.65Å; L260-Y262 HydrophobicContact CD2-CE1 3.79Å; L260-Y262 HydrophobicContact CD2-CG 4.44Å; L260-Y262 HydrophobicContact CG-CD1 3.77Å; L260-Y262 HydrophobicContact CG-CE1 4.3Å; Y262-V264 HydrophobicContact CD2-CG2 4.2Å; Y262-V264 HydrophobicContact CE2-CG2 3.67Å; Y262-V282 HydrophobicContact CD2-CB 4.42Å; Y262-V282 HydrophobicContact CD2-CG1 4.16Å; Y262-A283 CarbonylContact C-O 3.51Å; Y262-A283 VanDerWaalsContact CA-O 3.3Å; Y262-A283 WeakPolarHBondContact CA-O 3.47Å
263	R	98.7	Very high	98.4	Very high	167 Å²	167	79.4 Å²	79.4	63%	0.63	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	129	170.7	178.8	174.2	63.2	125.4	-0	108.7	I265 V282 A283	R263-I265 PolarHBondContact O-N 2.64Å; R263-V282 WeakPolarHBondContact O-CA 3.29Å; R263-A283 PolarHBondContact N-O 3.49Å; R263-A283 PolarHBondContact O-N 3.43Å
264	V	98.8	Very high	98.4	Very high	40 Å²	40	74.5 Å²	74.5	24%	0.242	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.9	164.9	-177.3	0	0	0	0	107.8	Y262 R267 V280 V282	Y262-V264 HydrophobicContact CD2-CG2 4.2Å; Y262-V264 HydrophobicContact CE2-CG2 3.67Å; V264-R267 HydrophobicContact CG1-CG 4.14Å; V264-V280 HydrophobicContact CG1-CG1 4.12Å; V264-V282 HydrophobicContact CG2-CG1 4.26Å
265	I	98.8	Very high	98.5	Very high	60 Å²	60	68.4 Å²	68.4	31%	0.308	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-51.9	177.2	-63.8	164.5	0	0	0	108.7	R102 R263 N281 A283	R102-I265 HydrophobicContact CB-CD1 3.62Å; R102-I265 HydrophobicContact CG-CD1 4.27Å; R263-I265 PolarHBondContact O-N 2.64Å; I265-N281 HydrophobicContact CB-CB 4.24Å; I265-N281 WeakPolarHBondContact CB-O 3.48Å; I265-N281 PolarHBondContact N-O 3.46Å; I265-A283 HydrophobicContact CD1-CB 4.17Å; I265-A283 HydrophobicContact CG1-CB 4.46Å
266	D	98.6	Very high	98.5	Very high	58 Å²	58	72.2 Å²	72.2	31%	0.31	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	168.6	175.3	57.7	48.2	0	0	0	110.3	R102 N281	R102-D266 IonicContact NH1-OD2 3.95Å; D266-N281 PolarHBondContact O-N 3.1Å; D266-N281 VanDerWaalsContact OD1-CB 3.27Å; D266-N281 WeakPolarHBondContact OD1-CB 3.47Å; D266-N281 PolarHBondContact OD1-ND2 3.38Å
267	R	98.7	Very high	98.5	Very high	122 Å²	122	72.4 Å²	72.4	46%	0.46	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.2	171.1	-69.5	-176.3	-176	81.9	0.5	107.7	E119 V264 L278 L279 V280	E119-R267 IonicContact OE1-CZ 2.78Å; E119-R267 IonicContact OE1-NE 3.87Å; E119-R267 PolarHBondContact OE1-NE 3.35Å; E119-R267 IonicContact OE1-NH2 3.54Å; E119-R267 PolarHBondContact OE1-NH2 2.87Å; E119-R267 IonicContact OE2-CZ 3.31Å; E119-R267 IonicContact OE2-NE 3.55Å; E119-R267 PolarHBondContact OE2-NE 2.88Å; E119-R267 IonicContact OE2-NH2 2.71Å; V264-R267 HydrophobicContact CG1-CG 4.14Å; R267-L278 HydrophobicContact CB-CD1 4.18Å; R267-L279 WeakPolarHBondContact CA-O 3.23Å; R267-V280 HydrophobicContact CG-CG1 4.23Å; R267-V280 HydrophobicContact CG-CG2 4.31Å
268	V	98.6	Very high	98.5	Very high	59 Å²	59	73.9 Å²	73.9	36%	0.358	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.7	-175.5	-173.8	0	0	0	0	109	M270 L279	V268-M270 HydrophobicContact CB-CG 4.45Å; V268-M270 HydrophobicContact CG1-CG 3.95Å; V268-M270 PolarHBondContact O-N 2.78Å; V268-L279 HydrophobicContact CB-CB 4.46Å; V268-L279 PolarHBondContact N-O 3.09Å; V268-L279 PolarHBondContact O-N 2.76Å
269	Q	98.6	Very high	98.6	Very high	124 Å²	124	69.1 Å²	69.1	58%	0.579	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	124.6	167	-79.1	-65.3	72.1	0	0	109.6	F277	Q269-F277 PolarHBondContact OE1-O 3.26Å
270	M	98.4	Very high	98.6	Very high	72 Å²	72	66 Å²	66	36%	0.355	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164	-179.3	-65.5	-165.7	74.1	0	0	110.3	V268 Q276 F277 L279	V268-M270 HydrophobicContact CB-CG 4.45Å; V268-M270 HydrophobicContact CG1-CG 3.95Å; V268-M270 PolarHBondContact O-N 2.78Å; M270-Q276 CarbonylContact O-C 3.5Å; M270-Q276 VanDerWaalsContact O-CA 3.28Å; M270-Q276 WeakPolarHBondContact O-CA 3.37Å; M270-F277 HydrophobicContact CB-CD1 4.14Å; M270-F277 HydrophobicContact CB-CD2 4.36Å; M270-F277 HydrophobicContact CB-CE1 3.54Å; M270-F277 HydrophobicContact CB-CE2 3.81Å; M270-F277 HydrophobicContact CB-CZ 3.37Å; M270-F277 HydrophobicContact CE-CZ 4.49Å; M270-F277 HydrophobicContact CG-CE2 4.39Å; M270-F277 HydrophobicContact CG-CZ 4.19Å; M270-F277 PolarHBondContact N-O 2.83Å; M270-F277 PolarHBondContact O-N 2.88Å; M270-F277 HydrophobicContact SD-CE2 4.15Å; M270-F277 HydrophobicContact SD-CZ 3.95Å; M270-L279 HydrophobicContact CG-CB 4.18Å; M270-L279 HydrophobicContact SD-CB 3.87Å; M270-L279 HydrophobicContact SD-CD2 3.54Å; M270-L279 VanDerWaalsContact SD-CD2 3.54Å; M270-L279 HydrophobicContact SD-CG 4.25Å
271	A	98.6	Very high	98.6	Very high	59 Å²	59	65.4 Å²	65.4	49%	0.488	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.1	170.4	0	0	0	0	0	110.9	F275 Q276	A271-F275 CarbonylContact C-O 3.6Å; A271-F275 WeakPolarHBondContact CA-O 3.39Å; A271-Q276 HydrophobicContact CB-CG 4.38Å
272	I	98.6	Very high	98.6	Very high	20 Å²	20	58.7 Å²	58.7	10%	0.103	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.5	169.3	-67.3	159.7	0	0	0	107.9	L75 V76 V79 G274 F275 F277	L75-I272 HydrophobicContact CD2-CD1 4.24Å; L75-I272 HydrophobicContact CG-CD1 3.95Å; V76-I272 HydrophobicContact CG1-CG2 4.28Å; V76-I272 HydrophobicContact CG2-CD1 4.38Å; V79-I272 HydrophobicContact CB-CB 4.23Å; V79-I272 HydrophobicContact CB-CD1 4.25Å; V79-I272 HydrophobicContact CG1-CB 4.11Å; V79-I272 HydrophobicContact CG2-CD1 4.05Å; I272-G274 PolarHBondContact O-N 2.84Å; I272-F275 PolarHBondContact N-O 2.59Å; I272-F275 PolarHBondContact O-N 2.82Å; I272-F275 VanDerWaalsContact O-N 3.08Å; I272-F277 HydrophobicContact CD1-CE1 3.7Å; I272-F277 HydrophobicContact CD1-CZ 3.97Å; I272-F277 HydrophobicContact CG1-CE1 3.88Å; I272-F277 HydrophobicContact CG1-CZ 4.47Å
273	S	97.8	Very high	98.6	Very high	94 Å²	94	56.2 Å²	56.2	66%	0.657	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	36.9	-174.4	-52.3	0	0	0	0	113.4	F275	S273-F275 VanDerWaalsContact C-N 3.28Å; S273-F275 WeakPolarHBondContact O-CD2 3.16Å; S273-F275 PolarHBondContact O-N 3.04Å
274	G	98.1	Very high	98.6	Very high	69 Å²	69	48.6 Å²	48.6	71%	0.711	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-10.3	-178.6	0	0	0	0	0	115.7	I272	I272-G274 PolarHBondContact O-N 2.84Å
275	F	98.6	Very high	98.6	Very high	43 Å²	43	51.8 Å²	51.8	19%	0.189	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.3	178.2	-65.1	-77.3	0	0	0	111.3	V79 P80 H83 R84 L87 A271 I272 S273	V79-F275 HydrophobicContact CG1-CB 3.89Å; P80-F275 HydrophobicContact CB-CD2 3.66Å; P80-F275 HydrophobicContact CB-CE2 3.88Å; H83-F275 HydrophobicContact CB-CB 4.24Å; H83-F275 HydrophobicContact CB-CD1 3.23Å; H83-F275 HydrophobicContact CB-CE1 3.63Å; H83-F275 HydrophobicContact CB-CG 3.81Å; H83-F275 HydrophobicContact CB-CZ 4.48Å; H83-F275 AromaticContact CD2-CD1 3.71Å; H83-F275 AromaticContact CG-CD1 3.48Å; H83-F275 VanDerWaalsContact CG-CD1 3.48Å; H83-F275 AromaticContact CG-CG 3.86Å; R84-F275 HydrophobicContact CG-CE2 4.5Å; R84-F275 HydrophobicContact CG-CZ 3.88Å; L87-F275 HydrophobicContact CD1-CE1 4.33Å; A271-F275 CarbonylContact C-O 3.6Å; A271-F275 WeakPolarHBondContact CA-O 3.39Å; I272-F275 PolarHBondContact N-O 2.59Å; I272-F275 PolarHBondContact O-N 2.82Å; I272-F275 VanDerWaalsContact O-N 3.08Å; S273-F275 VanDerWaalsContact C-N 3.28Å; S273-F275 WeakPolarHBondContact O-CD2 3.16Å; S273-F275 PolarHBondContact O-N 3.04Å
276	Q	98.5	Very high	98.5	Very high	106 Å²	106	49.4 Å²	49.4	50%	0.495	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	147.2	-172.7	-66.5	-177.1	-15.2	0	0	112.7	H83 M270 A271	H83-Q276 PolarHBondContact CE1-O 2.74Å; H83-Q276 PolarHBondContact NE2-O 2.85Å; M270-Q276 CarbonylContact O-C 3.5Å; M270-Q276 VanDerWaalsContact O-CA 3.28Å; M270-Q276 WeakPolarHBondContact O-CA 3.37Å; A271-Q276 HydrophobicContact CB-CG 4.38Å
277	F	98.8	Very high	98.3	Very high	3 Å²	3	50 Å²	50	1%	0.013	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.4	170.3	66.3	-80.7	0	0	0	110.5	L75 V79 V96 V98 Q269 M270 I272 L279	L75-F277 HydrophobicContact CD2-CE2 4.26Å; L75-F277 HydrophobicContact CD2-CZ 4.13Å; V79-F277 HydrophobicContact CG1-CD1 3.88Å; V79-F277 HydrophobicContact CG1-CE1 4.41Å; V79-F277 HydrophobicContact CG2-CD1 3.9Å; V79-F277 HydrophobicContact CG2-CE1 4.12Å; V79-F277 HydrophobicContact CG2-CG 4.27Å; V96-F277 HydrophobicContact CB-CB 3.87Å; V96-F277 HydrophobicContact CG1-CB 3.89Å; V96-F277 WeakPolarHBondContact O-CA 3.48Å; V96-F277 WeakPolarHBondContact O-CB 3.3Å; V98-F277 HydrophobicContact CB-CD2 4.02Å; V98-F277 HydrophobicContact CB-CE2 4.23Å; V98-F277 HydrophobicContact CG2-CD2 3.44Å; V98-F277 VanDerWaalsContact CG2-CD2 3.44Å; V98-F277 HydrophobicContact CG2-CE2 3.86Å; V98-F277 HydrophobicContact CG2-CG 4.28Å; Q269-F277 PolarHBondContact OE1-O 3.26Å; M270-F277 HydrophobicContact CB-CD1 4.14Å; M270-F277 HydrophobicContact CB-CD2 4.36Å; M270-F277 HydrophobicContact CB-CE1 3.54Å; M270-F277 HydrophobicContact CB-CE2 3.81Å; M270-F277 HydrophobicContact CB-CZ 3.37Å; M270-F277 HydrophobicContact CE-CZ 4.49Å; M270-F277 HydrophobicContact CG-CE2 4.39Å; M270-F277 HydrophobicContact CG-CZ 4.19Å; M270-F277 PolarHBondContact N-O 2.83Å; M270-F277 PolarHBondContact O-N 2.88Å; M270-F277 HydrophobicContact SD-CE2 4.15Å; M270-F277 HydrophobicContact SD-CZ 3.95Å; I272-F277 HydrophobicContact CD1-CE1 3.7Å; I272-F277 HydrophobicContact CD1-CZ 3.97Å; I272-F277 HydrophobicContact CG1-CE1 3.88Å; I272-F277 HydrophobicContact CG1-CZ 4.47Å; F277-L279 HydrophobicContact CE2-CB 4.2Å
278	L	98.9	Very high	98.1	Very high	33 Å²	33	48.5 Å²	48.5	17%	0.173	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115	175	-177.6	64.8	0	0	0	109.8	V96 I97 V98 R267 V280	V96-L278 PolarHBondContact O-N 2.53Å; I97-L278 CarbonylContact C-O 3.58Å; I97-L278 WeakPolarHBondContact CA-O 3.23Å; I97-L278 HydrophobicContact CG1-CB 4.45Å; V98-L278 PolarHBondContact N-O 3.39Å; R267-L278 HydrophobicContact CB-CD1 4.18Å; L278-V280 HydrophobicContact CD2-CG2 3.77Å; L278-V280 HydrophobicContact CG-CG2 3.76Å
279	L	98.9	Very high	97.9	Very high	20 Å²	20	55 Å²	55	11%	0.105	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	116.7	167.6	-175	71.7	0	0	0	109.2	V98 N100 R267 V268 M270 F277	V98-L279 HydrophobicContact CB-CD1 3.98Å; V98-L279 HydrophobicContact CG1-CD1 3.74Å; N100-L279 HydrophobicContact CB-CD1 3.76Å; R267-L279 WeakPolarHBondContact CA-O 3.23Å; V268-L279 HydrophobicContact CB-CB 4.46Å; V268-L279 PolarHBondContact N-O 3.09Å; V268-L279 PolarHBondContact O-N 2.76Å; M270-L279 HydrophobicContact CG-CB 4.18Å; M270-L279 HydrophobicContact SD-CB 3.87Å; M270-L279 HydrophobicContact SD-CD2 3.54Å; M270-L279 VanDerWaalsContact SD-CD2 3.54Å; M270-L279 HydrophobicContact SD-CG 4.25Å; F277-L279 HydrophobicContact CE2-CB 4.2Å
280	V	98.9	Very high	97.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	106.2	174.9	-172.6	0	0	0	0	108.4	I97 V98 N100 E119 V264 R267 L278 V282	I97-V280 HydrophobicContact CG2-CG2 3.93Å; V98-V280 PolarHBondContact O-N 3.36Å; N100-V280 PolarHBondContact N-O 2.9Å; E119-V280 HydrophobicContact CG-CB 4.45Å; E119-V280 HydrophobicContact CG-CG1 4.1Å; E119-V280 HydrophobicContact CG-CG2 3.98Å; V264-V280 HydrophobicContact CG1-CG1 4.12Å; R267-V280 HydrophobicContact CG-CG1 4.23Å; R267-V280 HydrophobicContact CG-CG2 4.31Å; L278-V280 HydrophobicContact CD2-CG2 3.77Å; L278-V280 HydrophobicContact CG-CG2 3.76Å; V280-V282 HydrophobicContact CG1-CG1 3.84Å
281	N	98.9	Very high	97.6	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.064	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.1	179	-74.9	-53.8	0	0	0	109.7	N100 R102 I265 D266	N100-N281 WeakPolarHBondContact CB-OD1 3.25Å; N100-N281 PolarHBondContact ND2-OD1 3.44Å; R102-N281 WeakPolarHBondContact CD-OD1 3.38Å; R102-N281 HydrophobicContact CG-CB 4.27Å; I265-N281 HydrophobicContact CB-CB 4.24Å; I265-N281 WeakPolarHBondContact CB-O 3.48Å; I265-N281 PolarHBondContact N-O 3.46Å; D266-N281 PolarHBondContact O-N 3.1Å; D266-N281 VanDerWaalsContact OD1-CB 3.27Å; D266-N281 WeakPolarHBondContact OD1-CB 3.47Å; D266-N281 PolarHBondContact OD1-ND2 3.38Å
282	V	98.9	Very high	97.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.5	-176.7	-59.2	0	0	0	0	113	V99 N100 R102 L112 V115 Y262 R263 V264 V280	V99-V282 HydrophobicContact CG1-CG1 4.43Å; V99-V282 HydrophobicContact CG1-CG2 3.89Å; N100-V282 PolarHBondContact O-N 3.04Å; R102-V282 PolarHBondContact N-O 3.08Å; L112-V282 HydrophobicContact CD2-CG2 3.64Å; V115-V282 HydrophobicContact CG1-CG1 3.9Å; Y262-V282 HydrophobicContact CD2-CB 4.42Å; Y262-V282 HydrophobicContact CD2-CG1 4.16Å; R263-V282 WeakPolarHBondContact O-CA 3.29Å; V264-V282 HydrophobicContact CG2-CG1 4.26Å; V280-V282 HydrophobicContact CG1-CG1 3.84Å
283	A	98.8	Very high	97.3	Very high	19 Å²	19	47.9 Å²	47.9	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.6	163.7	0	0	0	0	0	108.6	D103 Y262 R263 I265	D103-A283 HydrophobicContact CB-CB 4.17Å; Y262-A283 CarbonylContact C-O 3.51Å; Y262-A283 VanDerWaalsContact CA-O 3.3Å; Y262-A283 WeakPolarHBondContact CA-O 3.47Å; R263-A283 PolarHBondContact N-O 3.49Å; R263-A283 PolarHBondContact O-N 3.43Å; I265-A283 HydrophobicContact CD1-CB 4.17Å; I265-A283 HydrophobicContact CG1-CB 4.46Å
284	L	98.7	Very high	97.3	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	149	172.3	-60.7	179.9	0	0	0	110.1	Q101 D103 F105 N108 L112 V115 W191 L260	Q101-L284 HydrophobicContact CG-CD1 4.23Å; Q101-L284 HydrophobicContact CG-CG 4.37Å; D103-L284 WeakPolarHBondContact OD2-CB 3.07Å; D103-L284 PolarHBondContact OD2-N 2.86Å; F105-L284 WeakPolarHBondContact CE2-O 3.36Å; N108-L284 HydrophobicContact CB-CD1 3.85Å; L112-L284 HydrophobicContact CD2-CD1 4.13Å; L112-L284 HydrophobicContact CD2-CD2 4.32Å; L112-L284 HydrophobicContact CD2-CG 4.3Å; L112-L284 HydrophobicContact CG-CD1 4.29Å; V115-L284 HydrophobicContact CG2-CD2 4.26Å; W191-L284 HydrophobicContact CH2-CB 3.88Å; W191-L284 HydrophobicContact CH2-CD1 4.03Å; W191-L284 HydrophobicContact CZ3-CD1 4.17Å; L260-L284 HydrophobicContact CD1-CD2 4.47Å
285	H	97.9	Very high	97	Very high	107 Å²	107	43.3 Å²	43.3	50%	0.495	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-97.3	119.9	170	170.8	-79.9	0	0	0	109.9	K261	K261-H285 HydrophobicContact CB-CB 3.71Å; K261-H285 WeakPolarHBondContact O-CB 3.29Å; K261-H285 PolarHBondContact O-N 2.89Å
286	C	96.4	Very high	96.4	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.061	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-91.8	124.8	166.5	172.4	0	0	0	0	111	F105 W191 I288 T291 C294	F105-C286 HydrophobicContact CD1-CB 3.83Å; F105-C286 HydrophobicContact CD2-CB 4.02Å; F105-C286 HydrophobicContact CE1-CB 3.72Å; F105-C286 HydrophobicContact CE2-CB 3.92Å; F105-C286 HydrophobicContact CG-CB 4Å; F105-C286 HydrophobicContact CZ-CB 3.77Å; W191-C286 HydrophobicContact CH2-CB 4.16Å; W191-C286 HydrophobicContact CZ2-CB 3.79Å; C286-I288 PolarHBondContact O-N 3.12Å; C286-T291 PolarHBondContact SG-OG1 3.42Å; C286-T291 VanDerWaalsContact SG-OG1 3.35Å; C286-C294 HydrophobicContact CB-CB 3.69Å; C286-C294 WeakPolarHBondContact CB-SG 3.42Å; C286-C294 WeakPolarHBondContact SG-CB 3.41Å; C286-C294 CovalentContact SG-SG 1.99Å; C286-C294 PolarHBondContact SG-SG 3.32Å
287	D	95.3	Very high	95.1	Very high	72 Å²	72	53 Å²	53	39%	0.385	26%	0.259	S	S	.	.			trans	-81.8	102	160	172.2	14.7	0	0	0	109.3	K289 S290 T291	D287-K289 PolarHBondContact O-N 3.18Å; D287-K289 WeakPolarHBondContact OD1-CB 3.44Å; D287-K289 PolarHBondContact OD1-N 3Å; D287-S290 WeakPolarHBondContact CB-OG 3.4Å; D287-S290 PolarHBondContact O-N 3.01Å; D287-S290 PolarHBondContact O-OG 2.69Å; D287-S290 VanDerWaalsContact OD2-CB 3.27Å; D287-S290 WeakPolarHBondContact OD2-CB 3.39Å; D287-S290 PolarHBondContact OD2-OG 2.98Å; D287-T291 PolarHBondContact O-N 3.12Å; D287-T291 PolarHBondContact O-OG1 3.26Å
288	I	94.6	Very high	94.9	Very high	89 Å²	89	55.6 Å²	55.6	46%	0.456	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.5	-177.1	-62.7	169	0	0	0	111.5	C286 P292 I295	C286-I288 PolarHBondContact O-N 3.12Å; I288-P292 WeakPolarHBondContact O-CA 3.26Å; I288-P292 WeakPolarHBondContact O-CB 3.47Å; I288-P292 WeakPolarHBondContact O-CD 3.44Å; I288-P292 VanDerWaalsContact O-N 3.15Å; I288-I295 HydrophobicContact CD1-CD1 4.12Å; I288-I295 HydrophobicContact CG1-CD1 4.29Å; I288-I295 HydrophobicContact CG1-CG1 4.48Å; I288-I295 HydrophobicContact CG2-CD1 4.13Å
289	K	94.1	Very high	94.7	Very high	197 Å²	197	56.7 Å²	56.7	86%	0.857	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-40.4	178.5	-65	-175.3	179.7	-178.4	0	111.2	D287	D287-K289 PolarHBondContact O-N 3.18Å; D287-K289 WeakPolarHBondContact OD1-CB 3.44Å; D287-K289 PolarHBondContact OD1-N 3Å
290	S	93.8	Very high	94.4	Very high	54 Å²	54	58.8 Å²	58.8	38%	0.378	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-29	179.6	60.4	0	0	0	0	113.8	D287	D287-S290 WeakPolarHBondContact CB-OG 3.4Å; D287-S290 PolarHBondContact O-N 3.01Å; D287-S290 PolarHBondContact O-OG 2.69Å; D287-S290 VanDerWaalsContact OD2-CB 3.27Å; D287-S290 WeakPolarHBondContact OD2-CB 3.39Å; D287-S290 PolarHBondContact OD2-OG 2.98Å
291	T	95.8	Very high	94.2	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.037	30%	0.302	C	S	.	.			trans	-133	62.1	-177.9	54.7	0	0	0	0	111.6	K189 W191 C286 D287 W293 C294	K189-T291 HydrophobicContact CB-CG2 4.02Å; K189-T291 HydrophobicContact CG-CG2 3.8Å; W191-T291 PolarHBondContact NE1-OG1 2.97Å; C286-T291 PolarHBondContact SG-OG1 3.42Å; C286-T291 VanDerWaalsContact SG-OG1 3.35Å; D287-T291 PolarHBondContact O-N 3.12Å; D287-T291 PolarHBondContact O-OG1 3.26Å; T291-W293 HydrophobicContact CG2-CZ2 3.9Å; T291-W293 PolarHBondContact O-N 3.05Å; T291-C294 WeakPolarHBondContact O-CB 3.31Å; T291-C294 PolarHBondContact O-N 3.27Å; T291-C294 PolarHBondContact O-SG 3.48Å
292	P	95.2	Very high	93.9	Very high	60 Å²	60	65.4 Å²	65.4	39%	0.39	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-58.8	-18.8	-177.7	23.2	-34.1	0	0	0	113.5	I288 C294	I288-P292 WeakPolarHBondContact O-CA 3.26Å; I288-P292 WeakPolarHBondContact O-CB 3.47Å; I288-P292 WeakPolarHBondContact O-CD 3.44Å; I288-P292 VanDerWaalsContact O-N 3.15Å; P292-C294 VanDerWaalsContact C-N 3.26Å; P292-C294 PolarHBondContact O-N 2.73Å
293	W	96.3	Very high	93.5	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.015	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-78.2	3.6	174.8	57.2	86.7	0	0	0	114.9	R106 K189 W191 L241 N243 Q244 E247 T291 I295	R106-W293 WeakPolarHBondContact CD-O 3.5Å; R106-W293 PolarHBondContact NH1-O 2.72Å; K189-W293 PolarHBondContact O-NE1 3.25Å; W191-W293 AromaticContact CD1-NE1 3.99Å; L241-W293 HydrophobicContact CB-CB 3.8Å; L241-W293 HydrophobicContact CD1-CB 4.44Å; L241-W293 HydrophobicContact CG-CB 4.49Å; N243-W293 VanDerWaalsContact OD1-CZ3 3.25Å; N243-W293 WeakPolarHBondContact OD1-CZ3 3.27Å; Q244-W293 HydrophobicContact CB-CB 3.98Å; Q244-W293 HydrophobicContact CB-CD2 3.72Å; Q244-W293 HydrophobicContact CB-CE3 3.93Å; Q244-W293 HydrophobicContact CB-CG 3.74Å; Q244-W293 HydrophobicContact CG-CB 4.18Å; Q244-W293 HydrophobicContact CG-CD2 3.88Å; Q244-W293 HydrophobicContact CG-CG 3.67Å; Q244-W293 VanDerWaalsContact NE2-CD1 3.35Å; E247-W293 HydrophobicContact CB-CH2 3.75Å; E247-W293 HydrophobicContact CB-CZ2 4.23Å; E247-W293 HydrophobicContact CB-CZ3 4.46Å; E247-W293 HydrophobicContact CG-CH2 3.9Å; E247-W293 HydrophobicContact CG-CZ3 4.32Å; T291-W293 HydrophobicContact CG2-CZ2 3.9Å; T291-W293 PolarHBondContact O-N 3.05Å; W293-I295 VanDerWaalsContact C-N 3.35Å
294	C	97.1	Very high	93.2	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-75.6	-19.9	177.4	71.9	0	0	0	0	114.3	F105 R106 W191 C286 T291 P292	F105-C294 CarbonylContact C-O 3.54Å; F105-C294 WeakPolarHBondContact CA-O 3.26Å; F105-C294 WeakPolarHBondContact CB-O 3.43Å; R106-C294 WeakPolarHBondContact CG-O 3.36Å; R106-C294 PolarHBondContact N-O 3.42Å; W191-C294 HydrophobicContact CB-CB 4.19Å; W191-C294 HydrophobicContact CD2-CB 3.39Å; W191-C294 VanDerWaalsContact CE2-CB 3.49Å; W191-C294 HydrophobicContact CE3-CB 3.98Å; W191-C294 HydrophobicContact CG-CB 3.48Å; W191-C294 VanDerWaalsContact CG-CB 3.48Å; W191-C294 HydrophobicContact CZ2-CB 4.17Å; C286-C294 HydrophobicContact CB-CB 3.69Å; C286-C294 WeakPolarHBondContact CB-SG 3.42Å; C286-C294 WeakPolarHBondContact SG-CB 3.41Å; C286-C294 CovalentContact SG-SG 1.99Å; C286-C294 PolarHBondContact SG-SG 3.32Å; T291-C294 WeakPolarHBondContact O-CB 3.31Å; T291-C294 PolarHBondContact O-N 3.27Å; T291-C294 PolarHBondContact O-SG 3.48Å; P292-C294 VanDerWaalsContact C-N 3.26Å; P292-C294 PolarHBondContact O-N 2.73Å
295	I	93.5	Very high	92.8	Very high	68 Å²	68	78.4 Å²	78.4	35%	0.349	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-75.4	136.9	-174.3	-55.1	176	0	0	0	109.7	R106 I288 W293 K297	R106-I295 WeakPolarHBondContact CD-O 3.19Å; I288-I295 HydrophobicContact CD1-CD1 4.12Å; I288-I295 HydrophobicContact CG1-CD1 4.29Å; I288-I295 HydrophobicContact CG1-CG1 4.48Å; I288-I295 HydrophobicContact CG2-CD1 4.13Å; W293-I295 VanDerWaalsContact C-N 3.35Å; I295-K297 PolarHBondContact O-N 2.66Å; I295-K297 VanDerWaalsContact O-N 3.15Å
296	R	85.8	Confident	92.3	Very high	139 Å²	139	76 Å²	76	53%	0.525	37%	0.365	S	S	.	.			trans	-73.7	100.5	164.7	-67.3	178.2	71.3	176.9	-1.3	107.5	R104 F105 R106	R104-R296 WeakPolarHBondContact O-CD 3.34Å; R104-R296 VanDerWaalsContact O-CG 3.28Å; R104-R296 WeakPolarHBondContact O-CG 3.38Å; F105-R296 VanDerWaalsContact O-CD 3.32Å; F105-R296 WeakPolarHBondContact O-CD 3.49Å; R106-R296 HydrophobicContact CG-CG 3.97Å
297	K	69.9	Low	92	Very high	214 Å²	214	82.1 Å²	82.1	93%	0.93	39%	0.393	S	S	*	.			trans	-74.9	0	160.1	-67.6	-170.3	178	-172.4	0	109.2	I295	I295-K297 PolarHBondContact O-N 2.66Å; I295-K297 VanDerWaalsContact O-N 3.15Å

Retrieved 297 of 297 residues in 100.2 ms (Link to these results)

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