A0A077ZD59_TRITR Loading...

folate gamma-glutamyl hydrolase

AlphaFold DB , UniProt , Accession A0A077ZD59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 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	52.4	Low	72.7	Confident	233 Å²	233	109.7 Å²	109.7	100%	1.148	62%	0.624	S	S	*	*				0	104	0	-132.9	174.6	-157.1	0	0	106.9
2	V	58.3	Low	73.3	Confident	103 Å²	103	111 Å²	111	62%	0.624	63%	0.628	S	S	*	*			trans	-82.9	120.8	171.8	177.8	0	0	0	0	106.1	T13 V17	V2-T13 HydrophobicContact CG1-CG2 4.45Å; V2-V17 HydrophobicContact CB-CG2 4.17Å; V2-V17 HydrophobicContact CG1-CG2 3.69Å
3	T	63.9	Low	73.9	Confident	102 Å²	102	105.9 Å²	105.9	63%	0.626	60%	0.601	S	S	*	*			trans	-105.6	125.1	175.7	81.8	0	0	0	0	107.6	Q5	T3-Q5 VanDerWaalsContact C-N 3.27Å
4	L	70.1	Confident	74.2	Confident	45 Å²	45	101.9 Å²	101.9	24%	0.236	58%	0.576	C	S	.	*			trans	-87.4	-1.9	175.4	-66.9	172.6	0	0	0	111.9	G6 D7 W10 T13 L14 V17	L4-G6 PolarHBondContact O-N 2.96Å; L4-D7 PolarHBondContact O-N 3.05Å; L4-W10 HydrophobicContact CB-CB 4.19Å; L4-W10 HydrophobicContact CD2-CB 4.11Å; L4-T13 HydrophobicContact CD2-CG2 3.91Å; L4-L14 HydrophobicContact CD1-CB 4.28Å; L4-L14 HydrophobicContact CD1-CD1 3.57Å; L4-V17 HydrophobicContact CD1-CG2 4.49Å; L4-V17 HydrophobicContact CD2-CG2 4.39Å
5	Q	72.1	Confident	74.3	Confident	186 Å²	186	98.5 Å²	98.5	87%	0.869	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	110.4	-174.3	-164.8	175.3	7.9	0	0	110.2	T3	T3-Q5 VanDerWaalsContact C-N 3.27Å
6	G	78	Confident	74.6	Confident	79 Å²	79	98.6 Å²	98.6	81%	0.814	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.8	0.4	180	0	0	0	0	0	115	L4 P8	L4-G6 PolarHBondContact O-N 2.96Å; G6-P8 WeakPolarHBondContact O-CD 3.4Å
7	D	77.4	Confident	74.9	Confident	54 Å²	54	94.8 Å²	94.8	29%	0.289	54%	0.542	S	S	.	.			trans	-81.5	115.4	173.2	-175.6	-2.6	0	0	0	110	L4 N9 W10	L4-D7 PolarHBondContact O-N 3.05Å; D7-N9 PolarHBondContact O-N 2.92Å; D7-N9 PolarHBondContact OD1-N 2.83Å; D7-W10 HydrophobicContact CB-CB 4.35Å; D7-W10 WeakPolarHBondContact O-CB 3.35Å; D7-W10 PolarHBondContact O-N 3.33Å
8	P	84.8	Confident	75	Confident	116 Å²	116	91.3 Å²	91.3	75%	0.753	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.1	176.7	26	-33	0	0	0	113.1	G6	G6-P8 WeakPolarHBondContact O-CD 3.4Å
9	N	82.4	Confident	75.1	Confident	98 Å²	98	90.6 Å²	90.6	52%	0.524	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	20.7	179	-58.5	-31.2	0	0	0	112.4	D7 A11 D12 T13	D7-N9 PolarHBondContact O-N 2.92Å; D7-N9 PolarHBondContact OD1-N 2.83Å; N9-A11 PolarHBondContact O-N 2.88Å; N9-D12 PolarHBondContact O-N 3.48Å; N9-T13 PolarHBondContact O-N 3.3Å
10	W	83	Confident	75.2	Confident	133 Å²	133	87.8 Å²	87.8	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-52.6	-29.4	-176.1	70.6	-85.2	0	0	0	113.7	L4 D7 D12 T13 L14	L4-W10 HydrophobicContact CB-CB 4.19Å; L4-W10 HydrophobicContact CD2-CB 4.11Å; D7-W10 HydrophobicContact CB-CB 4.35Å; D7-W10 WeakPolarHBondContact O-CB 3.35Å; D7-W10 PolarHBondContact O-N 3.33Å; W10-D12 VanDerWaalsContact C-N 3.3Å; W10-D12 PolarHBondContact O-N 2.63Å; W10-T13 PolarHBondContact O-N 2.85Å; W10-L14 HydrophobicContact CE3-CB 4.37Å; W10-L14 HydrophobicContact CE3-CD2 4.34Å; W10-L14 HydrophobicContact CZ3-CD2 3.83Å; W10-L14 VanDerWaalsContact O-CB 3.26Å; W10-L14 WeakPolarHBondContact O-CB 3.38Å; W10-L14 PolarHBondContact O-N 3.45Å
11	A	77.3	Confident	75.2	Confident	58 Å²	58	87.3 Å²	87.3	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-31.3	177.9	0	0	0	0	0	113.2	N9 P15	N9-A11 PolarHBondContact O-N 2.88Å; A11-P15 VanDerWaalsContact O-CD 3.31Å; A11-P15 WeakPolarHBondContact O-CD 3.24Å
12	D	79.9	Confident	76.1	Confident	125 Å²	125	77.6 Å²	77.6	67%	0.668	46%	0.456	S	S	*	.	H	α-helix	trans	-79	-32	177.3	-62.7	-33	0	0	0	111.4	N9 W10 P15	N9-D12 PolarHBondContact O-N 3.48Å; W10-D12 VanDerWaalsContact C-N 3.3Å; W10-D12 PolarHBondContact O-N 2.63Å; D12-P15 WeakPolarHBondContact O-CD 3.35Å
13	T	80.8	Confident	77	Confident	45 Å²	45	77.7 Å²	77.7	28%	0.276	46%	0.456	S	S	.	.	H	α-helix	trans	-83.8	-29.8	-178.4	-42.5	0	0	0	0	112.2	V2 L4 N9 W10 V16 V17	V2-T13 HydrophobicContact CG1-CG2 4.45Å; L4-T13 HydrophobicContact CD2-CG2 3.91Å; N9-T13 PolarHBondContact O-N 3.3Å; W10-T13 PolarHBondContact O-N 2.85Å; T13-V16 PolarHBondContact O-N 3.48Å; T13-V16 VanDerWaalsContact O-N 3.14Å; T13-V17 HydrophobicContact CG2-CG2 4.3Å; T13-V17 PolarHBondContact O-N 2.89Å; T13-V17 VanDerWaalsContact O-N 3.14Å
14	L	79.3	Confident	77.8	Confident	49 Å²	49	74.8 Å²	74.8	26%	0.257	44%	0.443	S	S	.	.	H	α-helix	trans	-54	-46.1	-175.9	-179.2	75	0	0	0	113.8	L4 W10 V16 V17 L18	L4-L14 HydrophobicContact CD1-CB 4.28Å; L4-L14 HydrophobicContact CD1-CD1 3.57Å; W10-L14 HydrophobicContact CE3-CB 4.37Å; W10-L14 HydrophobicContact CE3-CD2 4.34Å; W10-L14 HydrophobicContact CZ3-CD2 3.83Å; W10-L14 VanDerWaalsContact O-CB 3.26Å; W10-L14 WeakPolarHBondContact O-CB 3.38Å; W10-L14 PolarHBondContact O-N 3.45Å; L14-V16 VanDerWaalsContact C-N 3.26Å; L14-V16 PolarHBondContact O-N 2.89Å; L14-V17 PolarHBondContact O-N 3.46Å; L14-L18 HydrophobicContact CD1-CD1 4.3Å; L14-L18 HydrophobicContact CD1-CG 4.23Å; L14-L18 HydrophobicContact CD2-CD1 4.32Å; L14-L18 HydrophobicContact CG-CD1 3.89Å; L14-L18 HydrophobicContact CG-CG 4.22Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 3.35Å
15	P	75.1	Confident	78.2	Confident	51 Å²	51	78.5 Å²	78.5	33%	0.331	46%	0.457	S	S	.	.	H	α-helix	trans	-59.4	-37.9	179.5	-24.1	34.8	0	0	0	112.7	A11 D12 L18 I19	A11-P15 VanDerWaalsContact O-CD 3.31Å; A11-P15 WeakPolarHBondContact O-CD 3.24Å; D12-P15 WeakPolarHBondContact O-CD 3.35Å; P15-L18 PolarHBondContact O-N 3.49Å; P15-I19 WeakPolarHBondContact O-CB 3.33Å; P15-I19 VanDerWaalsContact O-CG1 3.28Å; P15-I19 WeakPolarHBondContact O-CG1 3.43Å; P15-I19 PolarHBondContact O-N 3.25Å
16	V	78.6	Confident	78.6	Confident	100 Å²	100	74.2 Å²	74.2	61%	0.606	44%	0.437	S	S	*	.	H	α-helix	trans	-69.2	-40.3	178.7	-177.7	0	0	0	0	110.8	T13 L14 I19 G20	T13-V16 PolarHBondContact O-N 3.48Å; T13-V16 VanDerWaalsContact O-N 3.14Å; L14-V16 VanDerWaalsContact C-N 3.26Å; L14-V16 PolarHBondContact O-N 2.89Å; V16-I19 PolarHBondContact O-N 3.24Å; V16-G20 PolarHBondContact O-N 3.17Å
17	V	79.5	Confident	78.8	Confident	34 Å²	34	75.4 Å²	75.4	21%	0.206	43%	0.43	C	S	.	.	H	α-helix	trans	-63.3	-46	175.2	175.9	0	0	0	0	110.7	V2 L4 T13 L14 I19 G20 M21	V2-V17 HydrophobicContact CB-CG2 4.17Å; V2-V17 HydrophobicContact CG1-CG2 3.69Å; L4-V17 HydrophobicContact CD1-CG2 4.49Å; L4-V17 HydrophobicContact CD2-CG2 4.39Å; T13-V17 HydrophobicContact CG2-CG2 4.3Å; T13-V17 PolarHBondContact O-N 2.89Å; T13-V17 VanDerWaalsContact O-N 3.14Å; L14-V17 PolarHBondContact O-N 3.46Å; V17-I19 PolarHBondContact O-N 2.95Å; V17-G20 PolarHBondContact O-N 3.42Å; V17-M21 HydrophobicContact CG1-SD 4.42Å; V17-M21 WeakPolarHBondContact O-CG 3.25Å; V17-M21 PolarHBondContact O-N 3.39Å
18	L	77	Confident	79.2	Confident	33 Å²	33	79.1 Å²	79.1	17%	0.173	45%	0.45	C	S	.	.	H	α-helix	trans	-62.9	-41.9	177.5	-66.7	172.2	0	0	0	111.4	L14 P15 G20 M21 C22 I42 L44 P45	L14-L18 HydrophobicContact CD1-CD1 4.3Å; L14-L18 HydrophobicContact CD1-CG 4.23Å; L14-L18 HydrophobicContact CD2-CD1 4.32Å; L14-L18 HydrophobicContact CG-CD1 3.89Å; L14-L18 HydrophobicContact CG-CG 4.22Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 3.35Å; P15-L18 PolarHBondContact O-N 3.49Å; L18-G20 VanDerWaalsContact C-N 3.33Å; L18-G20 PolarHBondContact O-N 3.49Å; L18-M21 PolarHBondContact O-N 3.48Å; L18-C22 PolarHBondContact O-N 3.18Å; L18-C22 PolarHBondContact O-SG 2.77Å; L18-I42 HydrophobicContact CD2-CG2 3.96Å; L18-L44 HydrophobicContact CB-CD2 3.5Å; L18-P45 HydrophobicContact CD1-CG 4.31Å
19	I	77.4	Confident	79.1	Confident	77 Å²	77	77.4 Å²	77.4	40%	0.395	43%	0.434	S	S	.	.	H	α-helix	trans	-56.8	-50.7	172.4	-75.3	164.7	0	0	0	109.6	P15 V16 V17 M21 C22 V23 L44	P15-I19 WeakPolarHBondContact O-CB 3.33Å; P15-I19 VanDerWaalsContact O-CG1 3.28Å; P15-I19 WeakPolarHBondContact O-CG1 3.43Å; P15-I19 PolarHBondContact O-N 3.25Å; V16-I19 PolarHBondContact O-N 3.24Å; V17-I19 PolarHBondContact O-N 2.95Å; I19-M21 VanDerWaalsContact C-N 3.29Å; I19-M21 PolarHBondContact O-N 3.33Å; I19-C22 WeakPolarHBondContact O-CB 3.37Å; I19-C22 PolarHBondContact O-N 2.8Å; I19-V23 HydrophobicContact CG2-CG1 4.38Å; I19-V23 HydrophobicContact CG2-CG2 4.48Å; I19-V23 VanDerWaalsContact O-CG2 3.31Å; I19-V23 WeakPolarHBondContact O-CG2 3.21Å; I19-V23 PolarHBondContact O-N 3.28Å; I19-L44 HydrophobicContact CB-CD2 4.42Å; I19-L44 HydrophobicContact CD1-CD1 4.05Å; I19-L44 HydrophobicContact CG1-CD1 3.35Å; I19-L44 HydrophobicContact CG1-CD2 3.64Å; I19-L44 HydrophobicContact CG1-CG 4.13Å
20	G	77.1	Confident	79	Confident	34 Å²	34	75.2 Å²	75.2	35%	0.351	43%	0.434	S	S	.	.	H	α-helix	trans	-54.8	-43.3	178.6	0	0	0	0	0	112.6	V16 V17 L18 V23 A24	V16-G20 PolarHBondContact O-N 3.17Å; V17-G20 PolarHBondContact O-N 3.42Å; L18-G20 VanDerWaalsContact C-N 3.33Å; L18-G20 PolarHBondContact O-N 3.49Å; G20-V23 PolarHBondContact O-N 3.38Å; G20-A24 WeakPolarHBondContact O-CB 3.42Å; G20-A24 PolarHBondContact O-N 3.12Å
21	M	74.8	Confident	79	Confident	78 Å²	78	70.3 Å²	70.3	38%	0.384	42%	0.419	S	S	.	.	H	α-helix	trans	-66.2	-36.8	176.1	-70.3	-179.1	67.1	0	0	113	V17 L18 I19 A34 I42	V17-M21 HydrophobicContact CG1-SD 4.42Å; V17-M21 WeakPolarHBondContact O-CG 3.25Å; V17-M21 PolarHBondContact O-N 3.39Å; L18-M21 PolarHBondContact O-N 3.48Å; I19-M21 VanDerWaalsContact C-N 3.29Å; I19-M21 PolarHBondContact O-N 3.33Å; M21-A34 HydrophobicContact CB-CB 4.37Å; M21-A34 WeakPolarHBondContact O-CB 3.28Å; M21-I42 HydrophobicContact CB-CD1 4.4Å; M21-I42 HydrophobicContact CE-CD1 3.79Å; M21-I42 HydrophobicContact SD-CD1 4.47Å
22	C	72.5	Confident	79.2	Confident	30 Å²	30	67.8 Å²	67.8	20%	0.203	40%	0.398	C	S	.	.	H	α-helix	trans	-71	-34.6	178.1	-62.5	0	0	0	0	112.7	L18 I19 I42	L18-C22 PolarHBondContact O-N 3.18Å; L18-C22 PolarHBondContact O-SG 2.77Å; I19-C22 WeakPolarHBondContact O-CB 3.37Å; I19-C22 PolarHBondContact O-N 2.8Å; C22-I42 PolarHBondContact SG-O 3.45Å
23	V	75.8	Confident	78.8	Confident	105 Å²	105	63.8 Å²	63.8	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-98.2	-5.3	-174.8	-55	0	0	0	0	114	I19 G20 F25	I19-V23 HydrophobicContact CG2-CG1 4.38Å; I19-V23 HydrophobicContact CG2-CG2 4.48Å; I19-V23 VanDerWaalsContact O-CG2 3.31Å; I19-V23 WeakPolarHBondContact O-CG2 3.21Å; I19-V23 PolarHBondContact O-N 3.28Å; G20-V23 PolarHBondContact O-N 3.38Å; V23-F25 PolarHBondContact O-N 3.23Å
24	A	81.3	Confident	78.5	Confident	41 Å²	41	61.6 Å²	61.6	34%	0.339	37%	0.369	S	S	.	.			trans	-74.7	69	172.2	0	0	0	0	0	110.4	G20 S32 A33	G20-A24 WeakPolarHBondContact O-CB 3.42Å; G20-A24 PolarHBondContact O-N 3.12Å; A24-S32 WeakPolarHBondContact O-CA 3.38Å; A24-A33 PolarHBondContact O-N 3.46Å
25	F	79.2	Confident	78.4	Confident	123 Å²	123	62.5 Å²	62.5	54%	0.539	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.4	170.7	-176.3	-94.7	0	0	0	109.2	V23 P27 G30	V23-F25 PolarHBondContact O-N 3.23Å; F25-P27 HydrophobicContact CD1-CG 4.44Å; F25-P27 HydrophobicContact CE1-CB 4.46Å; F25-G30 VanDerWaalsContact CE2-C 3.49Å; F25-G30 WeakPolarHBondContact CE2-O 3.49Å
26	E	80.6	Confident	78.5	Confident	95 Å²	95	65.5 Å²	65.5	44%	0.444	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	110.6	178.7	-75.6	-67.1	-179.8	0	0	109.2	D28 I29 G30 T31	E26-D28 WeakPolarHBondContact CB-OD1 3.35Å; E26-D28 PolarHBondContact O-N 3.04Å; E26-I29 HydrophobicContact CB-CD1 3.83Å; E26-I29 HydrophobicContact CB-CG1 3.55Å; E26-I29 WeakPolarHBondContact O-CG1 3.22Å; E26-I29 PolarHBondContact O-N 3.48Å; E26-G30 PolarHBondContact O-N 2.93Å; E26-T31 PolarHBondContact N-O 2.85Å
27	P	81.5	Confident	78.4	Confident	104 Å²	104	66.4 Å²	66.4	68%	0.675	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.3	-171.9	-22.3	32.1	0	0	0	114.7	F25	F25-P27 HydrophobicContact CD1-CG 4.44Å; F25-P27 HydrophobicContact CE1-CB 4.46Å
28	D	86.2	Confident	78.1	Confident	133 Å²	133	69.5 Å²	69.5	71%	0.711	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-29.8	-179	62.8	-25.1	0	0	0	113	E26	E26-D28 WeakPolarHBondContact CB-OD1 3.35Å; E26-D28 PolarHBondContact O-N 3.04Å
29	I	82.2	Confident	78	Confident	80 Å²	80	71.4 Å²	71.4	41%	0.41	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-8	175.1	58.6	171.1	0	0	0	113.5	E26 T31 L36	E26-I29 HydrophobicContact CB-CD1 3.83Å; E26-I29 HydrophobicContact CB-CG1 3.55Å; E26-I29 WeakPolarHBondContact O-CG1 3.22Å; E26-I29 PolarHBondContact O-N 3.48Å; I29-T31 VanDerWaalsContact C-N 3.25Å; I29-T31 HydrophobicContact CB-CG2 4.39Å; I29-T31 HydrophobicContact CD1-CG2 3.83Å; I29-T31 HydrophobicContact CG1-CG2 3.99Å; I29-T31 PolarHBondContact O-N 2.79Å; I29-L36 HydrophobicContact CD1-CB 4.49Å; I29-L36 HydrophobicContact CD1-CD1 4.21Å; I29-L36 HydrophobicContact CD1-CD2 3.97Å; I29-L36 HydrophobicContact CD1-CG 4.45Å
30	G	81	Confident	77.6	Confident	51 Å²	51	74.5 Å²	74.5	53%	0.526	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	20	174.9	0	0	0	0	0	114.6	F25 E26	F25-G30 VanDerWaalsContact CE2-C 3.49Å; F25-G30 WeakPolarHBondContact CE2-O 3.49Å; E26-G30 PolarHBondContact O-N 2.93Å
31	T	82.4	Confident	77.2	Confident	31 Å²	31	76.6 Å²	76.6	19%	0.19	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.9	-176.4	-168.6	0	0	0	0	111.1	E26 I29 E35 L36	E26-T31 PolarHBondContact N-O 2.85Å; I29-T31 VanDerWaalsContact C-N 3.25Å; I29-T31 HydrophobicContact CB-CG2 4.39Å; I29-T31 HydrophobicContact CD1-CG2 3.83Å; I29-T31 HydrophobicContact CG1-CG2 3.99Å; I29-T31 PolarHBondContact O-N 2.79Å; T31-E35 VanDerWaalsContact OG1-CB 3.25Å; T31-E35 WeakPolarHBondContact OG1-CB 3.11Å; T31-E35 PolarHBondContact OG1-OE2 2.95Å; T31-L36 HydrophobicContact CG2-CB 4.17Å; T31-L36 HydrophobicContact CG2-CD1 4.02Å
32	S	80.1	Confident	76.8	Confident	4 Å²	4	74 Å²	74	3%	0.028	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	151.2	170.1	66.1	0	0	0	0	111.9	A24 A34 E35 L36	A24-S32 WeakPolarHBondContact O-CA 3.38Å; S32-A34 PolarHBondContact O-N 2.88Å; S32-E35 PolarHBondContact O-N 2.94Å; S32-E35 WeakPolarHBondContact OG-CB 3.41Å; S32-E35 PolarHBondContact OG-N 3.36Å; S32-E35 PolarHBondContact OG-OE2 2.9Å; S32-L36 PolarHBondContact O-N 2.85Å; S32-L36 VanDerWaalsContact O-N 3.09Å
33	A	73.4	Confident	76.5	Confident	41 Å²	41	77.3 Å²	77.3	34%	0.339	45%	0.453	S	S	.	.	H	α-helix	trans	-57.3	-31.8	173.1	0	0	0	0	0	112.5	A24 V37	A24-A33 PolarHBondContact O-N 3.46Å; A33-V37 WeakPolarHBondContact O-CG2 3.37Å; A33-V37 PolarHBondContact O-N 2.97Å
34	A	72.8	Confident	76	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-63.1	-51.5	174.7	0	0	0	0	0	112.5	M21 S32 L36 V37 L38 I42	M21-A34 HydrophobicContact CB-CB 4.37Å; M21-A34 WeakPolarHBondContact O-CB 3.28Å; S32-A34 PolarHBondContact O-N 2.88Å; A34-L36 VanDerWaalsContact C-N 3.32Å; A34-L36 PolarHBondContact O-N 3.22Å; A34-V37 PolarHBondContact O-N 2.96Å; A34-L38 WeakPolarHBondContact O-CB 3.46Å; A34-L38 PolarHBondContact O-N 3Å; A34-I42 HydrophobicContact CB-CB 4.24Å; A34-I42 HydrophobicContact CB-CD1 3.54Å; A34-I42 HydrophobicContact CB-CG1 3.79Å
35	E	77.6	Confident	74.9	Confident	68 Å²	68	74.6 Å²	74.6	32%	0.318	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-36.1	178.6	-85.7	166.7	142.9	0	0	112.8	T31 S32 V37 G39 T41	T31-E35 VanDerWaalsContact OG1-CB 3.25Å; T31-E35 WeakPolarHBondContact OG1-CB 3.11Å; T31-E35 PolarHBondContact OG1-OE2 2.95Å; S32-E35 PolarHBondContact O-N 2.94Å; S32-E35 WeakPolarHBondContact OG-CB 3.41Å; S32-E35 PolarHBondContact OG-N 3.36Å; S32-E35 PolarHBondContact OG-OE2 2.9Å; E35-V37 VanDerWaalsContact C-N 3.29Å; E35-V37 PolarHBondContact O-N 2.57Å; E35-G39 VanDerWaalsContact O-CA 3.29Å; E35-G39 WeakPolarHBondContact O-CA 3.5Å; E35-G39 PolarHBondContact O-N 2.74Å; E35-T41 PolarHBondContact OE1-OG1 3.02Å
36	L	78.5	Confident	73.7	Confident	114 Å²	114	71.2 Å²	71.2	60%	0.597	43%	0.432	S	S	*	.	H	α-helix	trans	-61.8	-39.1	178.8	-167.5	81.3	0	0	0	111.9	I29 T31 S32 A34	I29-L36 HydrophobicContact CD1-CB 4.49Å; I29-L36 HydrophobicContact CD1-CD1 4.21Å; I29-L36 HydrophobicContact CD1-CD2 3.97Å; I29-L36 HydrophobicContact CD1-CG 4.45Å; T31-L36 HydrophobicContact CG2-CB 4.17Å; T31-L36 HydrophobicContact CG2-CD1 4.02Å; S32-L36 PolarHBondContact O-N 2.85Å; S32-L36 VanDerWaalsContact O-N 3.09Å; A34-L36 VanDerWaalsContact C-N 3.32Å; A34-L36 PolarHBondContact O-N 3.22Å
37	V	75.8	Confident	72.7	Confident	119 Å²	119	71.5 Å²	71.5	72%	0.721	43%	0.433	S	S	*	.	H	α-helix	trans	-84.5	-39.7	-175.8	176.5	0	0	0	0	112	A33 A34 E35	A33-V37 WeakPolarHBondContact O-CG2 3.37Å; A33-V37 PolarHBondContact O-N 2.97Å; A34-V37 PolarHBondContact O-N 2.96Å; E35-V37 VanDerWaalsContact C-N 3.29Å; E35-V37 PolarHBondContact O-N 2.57Å
38	L	72.2	Confident	71.3	Confident	98 Å²	98	73.9 Å²	73.9	51%	0.513	43%	0.43	S	S	.	.	H	α-helix	trans	-100.3	-13.4	-170.9	-66.8	164	0	0	0	113.6	A34 E40 I42	A34-L38 WeakPolarHBondContact O-CB 3.46Å; A34-L38 PolarHBondContact O-N 3Å; L38-E40 HydrophobicContact CB-CG 4.42Å; L38-E40 PolarHBondContact O-N 3.44Å; L38-I42 HydrophobicContact CD1-CD1 3.38Å; L38-I42 HydrophobicContact CD1-CG1 3.18Å
39	G	76.1	Confident	69.3	Low	73 Å²	73	74.9 Å²	74.9	75%	0.753	43%	0.428	S	S	*	.	S	Bend	trans	73.3	1.2	-174.5	0	0	0	0	0	114	E35	E35-G39 VanDerWaalsContact O-CA 3.29Å; E35-G39 WeakPolarHBondContact O-CA 3.5Å; E35-G39 PolarHBondContact O-N 2.74Å
40	E	69	Low	67.5	Low	143 Å²	143	74.1 Å²	74.1	67%	0.668	43%	0.427	S	S	*	.	S	Bend	trans	-149.2	155.4	179.5	60.7	-174.8	170	0	0	110.6	L38 I42	L38-E40 HydrophobicContact CB-CG 4.42Å; L38-E40 PolarHBondContact O-N 3.44Å; E40-I42 PolarHBondContact O-N 3.26Å
41	T	68.4	Low	65.7	Low	77 Å²	77	78 Å²	78	47%	0.472	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-67.8	126.1	177.2	-37.8	0	0	0	0	110.2	E35 I43	E35-T41 PolarHBondContact OE1-OG1 3.02Å; T41-I43 PolarHBondContact O-N 3.28Å
42	I	67.1	Low	63.9	Low	25 Å²	25	78.7 Å²	78.7	13%	0.128	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-62.5	131.8	174.5	-71	173.2	0	0	0	109.6	L18 M21 C22 A34 L38 E40	L18-I42 HydrophobicContact CD2-CG2 3.96Å; M21-I42 HydrophobicContact CB-CD1 4.4Å; M21-I42 HydrophobicContact CE-CD1 3.79Å; M21-I42 HydrophobicContact SD-CD1 4.47Å; C22-I42 PolarHBondContact SG-O 3.45Å; A34-I42 HydrophobicContact CB-CB 4.24Å; A34-I42 HydrophobicContact CB-CD1 3.54Å; A34-I42 HydrophobicContact CB-CG1 3.79Å; L38-I42 HydrophobicContact CD1-CD1 3.38Å; L38-I42 HydrophobicContact CD1-CG1 3.18Å; E40-I42 PolarHBondContact O-N 3.26Å
43	I	65.7	Low	62.3	Low	99 Å²	99	89 Å²	89	51%	0.508	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-101.6	127.2	178.8	-57.1	179.4	0	0	0	108.9	T41 Q47	T41-I43 PolarHBondContact O-N 3.28Å; I43-Q47 HydrophobicContact CG2-CB 3.38Å; I43-Q47 HydrophobicContact CG2-CG 4.44Å
44	L	65.9	Low	61.4	Low	33 Å²	33	89.2 Å²	89.2	17%	0.173	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-68.8	152.1	179.6	-60.7	172.3	0	0	0	111.6	L18 I19 G46 Q47 Y48	L18-L44 HydrophobicContact CB-CD2 3.5Å; I19-L44 HydrophobicContact CB-CD2 4.42Å; I19-L44 HydrophobicContact CD1-CD1 4.05Å; I19-L44 HydrophobicContact CG1-CD1 3.35Å; I19-L44 HydrophobicContact CG1-CD2 3.64Å; I19-L44 HydrophobicContact CG1-CG 4.13Å; L44-G46 PolarHBondContact O-N 3.45Å; L44-G46 VanDerWaalsContact O-N 3.11Å; L44-Q47 HydrophobicContact CB-CB 4.5Å; L44-Q47 HydrophobicContact CB-CG 4.23Å; L44-Q47 CarbonylContact O-C 3.57Å; L44-Q47 WeakPolarHBondContact O-CA 3.17Å; L44-Q47 WeakPolarHBondContact O-CB 3.37Å; L44-Q47 PolarHBondContact O-N 3.43Å; L44-Y48 WeakPolarHBondContact O-CD2 3.37Å; L44-Y48 PolarHBondContact O-N 2.86Å
45	P	57.9	Low	60.4	Low	55 Å²	55	91.5 Å²	91.5	36%	0.357	49%	0.486	S	S	.	.	H	α-helix	trans	-51.1	-36.9	172.3	-26.2	34	0	0	0	113.2	L18 Q47 Y48 F49	L18-P45 HydrophobicContact CD1-CG 4.31Å; P45-Q47 VanDerWaalsContact C-N 3.29Å; P45-Q47 PolarHBondContact O-N 3.28Å; P45-Y48 VanDerWaalsContact O-CB 3.3Å; P45-Y48 WeakPolarHBondContact O-CB 3.46Å; P45-Y48 PolarHBondContact O-N 3.2Å; P45-Y48 VanDerWaalsContact O-N 3.12Å; P45-F49 VanDerWaalsContact O-CD2 3.31Å; P45-F49 WeakPolarHBondContact O-CD2 3.34Å
46	G	54.2	Low	59.2	Low	52 Å²	52	92.4 Å²	92.4	54%	0.536	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-28.8	174.3	0	0	0	0	0	114.3	L44 F49	L44-G46 PolarHBondContact O-N 3.45Å; L44-G46 VanDerWaalsContact O-N 3.11Å; G46-F49 PolarHBondContact O-N 3.47Å
47	Q	58.4	Low	58.2	Low	102 Å²	102	95.4 Å²	95.4	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-83.2	-12.6	174.8	-66.7	173.5	-40.5	0	0	112.5	I43 L44 P45 V50	I43-Q47 HydrophobicContact CG2-CB 3.38Å; I43-Q47 HydrophobicContact CG2-CG 4.44Å; L44-Q47 HydrophobicContact CB-CB 4.5Å; L44-Q47 HydrophobicContact CB-CG 4.23Å; L44-Q47 CarbonylContact O-C 3.57Å; L44-Q47 WeakPolarHBondContact O-CA 3.17Å; L44-Q47 WeakPolarHBondContact O-CB 3.37Å; L44-Q47 PolarHBondContact O-N 3.43Å; P45-Q47 VanDerWaalsContact C-N 3.29Å; P45-Q47 PolarHBondContact O-N 3.28Å; Q47-V50 WeakPolarHBondContact O-CG2 3.48Å; Q47-V50 PolarHBondContact O-N 3.05Å
48	Y	52.6	Low	57.7	Low	153 Å²	153	94.2 Å²	94.2	60%	0.6	49%	0.492	S	S	*	.	H	α-helix	trans	-64.9	-35.8	165	-81.9	-100.8	0	0	0	110.9	L44 P45 V50 R203	L44-Y48 WeakPolarHBondContact O-CD2 3.37Å; L44-Y48 PolarHBondContact O-N 2.86Å; P45-Y48 VanDerWaalsContact O-CB 3.3Å; P45-Y48 WeakPolarHBondContact O-CB 3.46Å; P45-Y48 PolarHBondContact O-N 3.2Å; P45-Y48 VanDerWaalsContact O-N 3.12Å; Y48-V50 PolarHBondContact O-N 3.28Å; Y48-R203 PolarHBondContact O-NH2 3.07Å
49	F	44.6	Very low	57.8	Low	154 Å²	154	90.5 Å²	90.5	68%	0.675	47%	0.472	S	S	*	.			trans	-75.5	68.6	164	-48.9	-78.6	0	0	0	108.6	P45 G46 I51	P45-F49 VanDerWaalsContact O-CD2 3.31Å; P45-F49 WeakPolarHBondContact O-CD2 3.34Å; G46-F49 PolarHBondContact O-N 3.47Å; F49-I51 HydrophobicContact CB-CG1 4.21Å; F49-I51 PolarHBondContact O-N 3.26Å
50	V	44.6	Very low	58	Low	64 Å²	64	90.7 Å²	90.7	39%	0.388	46%	0.46	S	S	.	.			trans	-62.8	82.8	145	-176	0	0	0	0	104.3	Q47 Y48 Y52	Q47-V50 WeakPolarHBondContact O-CG2 3.48Å; Q47-V50 PolarHBondContact O-N 3.05Å; Y48-V50 PolarHBondContact O-N 3.28Å; V50-Y52 PolarHBondContact O-N 3.42Å
51	I	41.9	Very low	58.7	Low	133 Å²	133	87.5 Å²	87.5	68%	0.682	45%	0.45	S	S	*	.			trans	-58.9	95.9	154.4	-56.9	175.1	0	0	0	101.3	F49 R53	F49-I51 HydrophobicContact CB-CG1 4.21Å; F49-I51 PolarHBondContact O-N 3.26Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 2.9Å
52	Y	44.9	Very low	59.4	Low	46 Å²	46	88.4 Å²	88.4	18%	0.18	45%	0.451	C	S	.	.			trans	-46.3	114.8	159.3	-74.1	-83.5	0	0	0	103.6	V50 I54 R203 V247 R267	V50-Y52 PolarHBondContact O-N 3.42Å; Y52-I54 PolarHBondContact O-N 3.35Å; Y52-R203 WeakPolarHBondContact CE2-O 3.42Å; Y52-R203 PolarHBondContact OH-O 3.46Å; Y52-V247 HydrophobicContact CE1-CG2 4.25Å; Y52-V247 WeakPolarHBondContact OH-CG2 3.18Å; Y52-R267 WeakPolarHBondContact CD1-O 3.34Å
53	R	47.5	Very low	60.1	Low	220 Å²	220	88.8 Å²	88.8	83%	0.83	45%	0.452	S	S	*	.	S	Bend	trans	-62	1.1	-165.6	-87.9	-171.5	175.5	-150.8	1.3	113.1	I51	I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 2.9Å
54	I	53	Low	61.3	Low	45 Å²	45	91.7 Å²	91.7	23%	0.231	46%	0.463	C	S	.	.	S	Bend	trans	-140	101.9	-166.7	-58.5	-177.3	0	0	0	106.5	Y52 D58 F59 F153	Y52-I54 PolarHBondContact O-N 3.35Å; I54-D58 VanDerWaalsContact CA-OD2 3.3Å; I54-D58 WeakPolarHBondContact CA-OD2 3.39Å; I54-D58 HydrophobicContact CG2-CB 4.27Å; I54-F59 HydrophobicContact CG2-CD2 3.74Å; I54-F59 HydrophobicContact CG2-CE2 3.44Å; I54-F59 VanDerWaalsContact CG2-CE2 3.44Å; I54-F153 HydrophobicContact CD1-CE1 3.22Å; I54-F153 HydrophobicContact CD1-CE2 4.28Å; I54-F153 HydrophobicContact CD1-CZ 3.09Å; I54-F153 HydrophobicContact CG1-CZ 4.44Å; I54-F153 HydrophobicContact CG2-CZ 4.48Å
55	A	52	Low	62.6	Low	49 Å²	49	95.8 Å²	95.8	41%	0.405	48%	0.482	S	S	.	.			trans	-72.6	150.9	170.8	0	0	0	0	0	108.5	E57 D58	A55-E57 HydrophobicContact CB-CB 4.28Å; A55-E57 PolarHBondContact O-N 3.16Å; A55-D58 PolarHBondContact N-OD2 3.17Å; A55-D58 WeakPolarHBondContact O-CB 3.46Å; A55-D58 PolarHBondContact O-N 3.11Å
56	M	53.2	Low	64.5	Low	86 Å²	86	93.2 Å²	93.2	42%	0.424	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-55.7	-17.3	170	-72.9	173.9	87.7	0	0	112.3	D58 R314	M56-D58 VanDerWaalsContact C-N 3.3Å; M56-R314 PolarHBondContact O-NH1 2.88Å
57	E	57.5	Low	66.6	Low	177 Å²	177	90.9 Å²	90.9	83%	0.827	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-69.9	-23.8	174.9	-62.1	-176.7	169	0	0	113.3	A55 F59	A55-E57 HydrophobicContact CB-CB 4.28Å; A55-E57 PolarHBondContact O-N 3.16Å; E57-F59 PolarHBondContact O-N 2.54Å
58	D	64.6	Low	68.5	Low	94 Å²	94	86 Å²	86	50%	0.503	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-72.8	-15.6	-177.1	-64.2	-42.3	0	0	0	113.2	I54 A55 M56	I54-D58 VanDerWaalsContact CA-OD2 3.3Å; I54-D58 WeakPolarHBondContact CA-OD2 3.39Å; I54-D58 HydrophobicContact CG2-CB 4.27Å; A55-D58 PolarHBondContact N-OD2 3.17Å; A55-D58 WeakPolarHBondContact O-CB 3.46Å; A55-D58 PolarHBondContact O-N 3.11Å; M56-D58 VanDerWaalsContact C-N 3.3Å
59	F	74.2	Confident	70.7	Confident	21 Å²	21	78.8 Å²	78.8	9%	0.092	39%	0.389	C	S	.	.	S	Bend	trans	-130.7	86	-176.5	-69.6	-75.2	0	0	0	110.8	I54 E57 F153 P158 Y160 R314	I54-F59 HydrophobicContact CG2-CD2 3.74Å; I54-F59 HydrophobicContact CG2-CE2 3.44Å; I54-F59 VanDerWaalsContact CG2-CE2 3.44Å; E57-F59 PolarHBondContact O-N 2.54Å; F59-F153 AromaticContact CE2-CE2 3.85Å; F59-F153 HydrophobicContact CE2-CE2 3.85Å; F59-F153 HydrophobicContact CE2-CZ 4.22Å; F59-F153 HydrophobicContact CZ-CD2 4.39Å; F59-F153 AromaticContact CZ-CE2 3.8Å; F59-F153 HydrophobicContact CZ-CE2 3.8Å; F59-F153 HydrophobicContact CZ-CZ 4.41Å; F59-P158 HydrophobicContact CE1-CB 4.43Å; F59-P158 HydrophobicContact CE1-CG 4.45Å; F59-P158 HydrophobicContact CZ-CB 4.15Å; F59-P158 HydrophobicContact CZ-CG 4.26Å; F59-Y160 HydrophobicContact CB-CD2 3.86Å; F59-Y160 HydrophobicContact CB-CE2 4.35Å; F59-Y160 HydrophobicContact CB-CG 4.21Å; F59-Y160 AromaticContact CD1-CD2 3.74Å; F59-Y160 HydrophobicContact CD1-CD2 3.74Å; F59-Y160 HydrophobicContact CD1-CG 4.06Å; F59-Y160 AromaticContact CD2-CD2 3.33Å; F59-Y160 HydrophobicContact CD2-CD2 3.33Å; F59-Y160 AromaticContact CD2-CE2 3.7Å; F59-Y160 HydrophobicContact CD2-CE2 3.7Å; F59-Y160 HydrophobicContact CD2-CG 4.36Å; F59-Y160 HydrophobicContact CE1-CD2 4.04Å; F59-Y160 AromaticContact CE2-CD2 3.66Å; F59-Y160 HydrophobicContact CE2-CD2 3.66Å; F59-Y160 HydrophobicContact CE2-CE2 4.15Å; F59-Y160 AromaticContact CG-CD2 3.34Å; F59-Y160 HydrophobicContact CG-CD2 3.34Å; F59-Y160 HydrophobicContact CG-CE2 4.04Å; F59-Y160 AromaticContact CG-CG 3.95Å; F59-Y160 HydrophobicContact CG-CG 3.95Å; F59-Y160 AromaticContact CZ-CD2 3.99Å; F59-Y160 HydrophobicContact CZ-CD2 3.99Å; F59-R314 HydrophobicContact CB-CB 4.23Å; F59-R314 WeakPolarHBondContact O-CG 3.41Å; F59-R314 PolarHBondContact O-NH1 3.27Å
60	P	80.9	Confident	73.3	Confident	77 Å²	77	71.4 Å²	71.4	50%	0.5	36%	0.357	S	S	.	.			trans	-64.8	164.3	-179.3	28.7	-35.5	0	0	0	111.6	L62 R314	P60-L62 HydrophobicContact CG-CD2 4.06Å; P60-L62 HydrophobicContact CG-CG 4.48Å; P60-L62 PolarHBondContact O-N 3.28Å; P60-R314 WeakPolarHBondContact O-CA 3.39Å
61	V	83	Confident	75.8	Confident	75 Å²	75	68.4 Å²	68.4	46%	0.455	34%	0.339	S	S	.	.			trans	-66.9	120.6	168.3	172	0	0	0	0	108.7	H64 C313	V61-H64 VanDerWaalsContact CG1-CE1 3.43Å; V61-H64 WeakPolarHBondContact CG1-CE1 3.33Å; V61-C313 HydrophobicContact CG1-CB 3.95Å; V61-C313 HydrophobicContact CG2-CB 4.43Å
62	L	84.4	Confident	78.5	Confident	96 Å²	96	62 Å²	62	50%	0.503	31%	0.306	S	S	.	.			trans	-111.7	-24.3	-177.8	-65.1	177.5	0	0	0	112.6	P60 C313 D316	P60-L62 HydrophobicContact CG-CD2 4.06Å; P60-L62 HydrophobicContact CG-CG 4.48Å; P60-L62 PolarHBondContact O-N 3.28Å; L62-C313 PolarHBondContact N-O 3.23Å; L62-D316 HydrophobicContact CB-CB 4.25Å; L62-D316 HydrophobicContact CD1-CB 4.38Å
63	H	82.1	Confident	81	Confident	33 Å²	33	60 Å²	60	15%	0.153	30%	0.298	C	S	.	.			trans	-140.6	117.9	-176.2	-161.2	-64.2	0	0	0	111.9	E65 C313 N315 N317	H63-E65 PolarHBondContact CE1-O 3.16Å; H63-E65 VanDerWaalsContact ND1-C 3.34Å; H63-E65 PolarHBondContact ND1-N 3.22Å; H63-E65 VanDerWaalsContact ND1-N 3.12Å; H63-E65 PolarHBondContact ND1-O 3.46Å; H63-C313 PolarHBondContact N-O 2.96Å; H63-C313 WeakPolarHBondContact O-CA 3.33Å; H63-C313 WeakPolarHBondContact O-CB 3.41Å; H63-C313 PolarHBondContact O-SG 3.27Å; H63-C313 VanDerWaalsContact O-SG 3.38Å; H63-N315 WeakPolarHBondContact CB-O 3.49Å; H63-N317 PolarHBondContact CD2-O 3.44Å; H63-N317 VanDerWaalsContact CD2-O 3.23Å
64	H	90.2	Very high	83.3	Confident	160 Å²	160	50.7 Å²	50.7	74%	0.741	26%	0.264	S	S	*	.	S	Bend	trans	-88.9	-7.1	-176.5	-69.3	-75.9	0	0	0	114.9	V61 P66	V61-H64 VanDerWaalsContact CG1-CE1 3.43Å; V61-H64 WeakPolarHBondContact CG1-CE1 3.33Å; H64-P66 VanDerWaalsContact C-CD 3.4Å; H64-P66 WeakPolarHBondContact O-CD 3.26Å
65	E	93.5	Very high	85.1	Confident	119 Å²	119	48.9 Å²	48.9	56%	0.556	26%	0.257	S	S	*	.	S	Bend	trans	-121.9	58.9	177.4	-49.9	178.9	176.6	0	0	112.5	H63 R99	H63-E65 PolarHBondContact CE1-O 3.16Å; H63-E65 VanDerWaalsContact ND1-C 3.34Å; H63-E65 PolarHBondContact ND1-N 3.22Å; H63-E65 VanDerWaalsContact ND1-N 3.12Å; H63-E65 PolarHBondContact ND1-O 3.46Å; E65-R99 PolarHBondContact O-NH2 3.4Å; E65-R99 IonicContact OE2-CZ 3.71Å; E65-R99 IonicContact OE2-NH1 3.97Å; E65-R99 PolarHBondContact OE2-NH1 3.15Å; E65-R99 IonicContact OE2-NH2 2.85Å; E65-R99 PolarHBondContact OE2-NH2 2.87Å
66	P	97	Very high	86.9	Confident	1 Å²	1	52 Å²	52	1%	0.006	27%	0.267	C	S	.	.			trans	-59.8	142	-170.6	27.5	-36.4	0	0	0	112.3	H64 A98 R99 N120 V309 C312	H64-P66 VanDerWaalsContact C-CD 3.4Å; H64-P66 WeakPolarHBondContact O-CD 3.26Å; P66-A98 HydrophobicContact CG-CB 4.05Å; P66-R99 PolarHBondContact O-N 3.35Å; P66-N120 WeakPolarHBondContact CA-OD1 3.5Å; P66-N120 HydrophobicContact CB-CB 4.02Å; P66-V309 HydrophobicContact CG-CG1 3.73Å; P66-C312 HydrophobicContact CB-CB 4.12Å
67	V	98.2	Very high	88.7	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.8	171.2	-170	0	0	0	0	108.3	R99 V101 L119 N120 F319 L325	V67-R99 WeakPolarHBondContact CA-O 3.37Å; V67-R99 HydrophobicContact CG1-CB 4.32Å; V67-R99 HydrophobicContact CG2-CB 4.25Å; V67-V101 HydrophobicContact CG1-CB 4.34Å; V67-V101 HydrophobicContact CG1-CG2 3.49Å; V67-V101 VanDerWaalsContact CG1-CG2 3.49Å; V67-L119 HydrophobicContact CB-CD2 4.25Å; V67-L119 HydrophobicContact CG1-CD2 3.71Å; V67-L119 WeakPolarHBondContact O-CA 3.35Å; V67-N120 PolarHBondContact N-OD1 3.17Å; V67-N120 PolarHBondContact O-N 2.93Å; V67-F319 HydrophobicContact CB-CE2 4.29Å; V67-F319 HydrophobicContact CG1-CE2 3.88Å; V67-F319 HydrophobicContact CG2-CD2 4.42Å; V67-L325 HydrophobicContact CG1-CD1 3.92Å; V67-L325 HydrophobicContact CG2-CD1 3.96Å; V67-L325 HydrophobicContact CG2-CD2 4.28Å
68	I	98.7	Very high	90.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.4	-176.7	-63.9	175.3	0	0	0	108.9	V93 A98 R99 V100 V101 F123 F308 V309 C312	I68-V93 HydrophobicContact CB-CG1 4.32Å; I68-V93 HydrophobicContact CD1-CG1 3.83Å; I68-A98 HydrophobicContact CD1-CB 3.67Å; I68-A98 HydrophobicContact CG1-CB 4.14Å; I68-R99 PolarHBondContact N-O 3.21Å; I68-V100 WeakPolarHBondContact O-CA 3.41Å; I68-V101 PolarHBondContact O-N 3.41Å; I68-F123 HydrophobicContact CG2-CB 3.97Å; I68-F308 HydrophobicContact CD1-CD1 4.27Å; I68-F308 HydrophobicContact CD1-CE1 3.96Å; I68-F308 HydrophobicContact CG2-CE1 4.03Å; I68-V309 HydrophobicContact CD1-CG2 3.94Å; I68-C312 HydrophobicContact CD1-CB 4.11Å; I68-C312 HydrophobicContact CG1-CB 4.17Å
69	G	98.8	Very high	91.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.1	170.4	0	0	0	0	0	110	V101 G121 L122 F123	G69-V101 CarbonylContact C-O 3.23Å; G69-V101 WeakPolarHBondContact CA-O 3.25Å; G69-G121 PolarHBondContact N-O 3.05Å; G69-L122 CarbonylContact O-C 3.56Å; G69-L122 WeakPolarHBondContact O-CA 3.43Å; G69-F123 PolarHBondContact O-N 3.19Å
70	M	98.8	Very high	92.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.2	176.8	-166.2	171.7	-72	0	0	109.9	A72 L85 Y89 V90 V93 V100 V101 P102 I103 F123	M70-A72 PolarHBondContact O-N 3.42Å; M70-L85 HydrophobicContact CB-CD2 4.19Å; M70-L85 HydrophobicContact CG-CD1 3.58Å; M70-L85 HydrophobicContact CG-CD2 3.94Å; M70-L85 HydrophobicContact CG-CG 4.35Å; M70-L85 HydrophobicContact SD-CD1 3.57Å; M70-L85 VanDerWaalsContact SD-CD1 3.57Å; M70-L85 HydrophobicContact SD-CD2 3.67Å; M70-L85 HydrophobicContact SD-CG 3.98Å; M70-Y89 VanDerWaalsContact SD-CB 3.56Å; M70-V90 HydrophobicContact SD-CG2 3.93Å; M70-V93 HydrophobicContact CE-CB 4.02Å; M70-V93 HydrophobicContact CE-CG2 3.51Å; M70-V100 HydrophobicContact CB-CG1 3.64Å; M70-V100 HydrophobicContact CE-CG1 4.23Å; M70-V100 HydrophobicContact CE-CG2 4.15Å; M70-V100 HydrophobicContact SD-CG1 4.28Å; M70-V101 PolarHBondContact N-O 3.07Å; M70-P102 CarbonylContact O-C 3.54Å; M70-P102 WeakPolarHBondContact O-CA 3.47Å; M70-I103 PolarHBondContact O-N 3.25Å; M70-F123 WeakPolarHBondContact CA-O 3.08Å; M70-F123 HydrophobicContact CE-CB 4.14Å; M70-F123 HydrophobicContact CE-CD1 3.92Å; M70-F123 HydrophobicContact CE-CG 3.94Å; M70-F123 HydrophobicContact CG-CB 4.21Å; M70-F123 HydrophobicContact CG-CD1 4.01Å; M70-F123 HydrophobicContact CG-CG 4.46Å; M70-F123 HydrophobicContact SD-CD1 4.32Å
71	L	98.6	Very high	92.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121	-174.6	-167.5	63.1	0	0	0	110.4	I103 P105 L122 F123 I124 P125 V138 T141 A142	L71-I103 HydrophobicContact CD1-CB 3.98Å; L71-I103 HydrophobicContact CD1-CG2 3.74Å; L71-P105 HydrophobicContact CD1-CG 4.31Å; L71-L122 HydrophobicContact CB-CD1 4.44Å; L71-F123 PolarHBondContact N-O 3.43Å; L71-I124 HydrophobicContact CD2-CG2 4.22Å; L71-P125 WeakPolarHBondContact O-CD 3.36Å; L71-P125 WeakPolarHBondContact O-CG 3.41Å; L71-V138 HydrophobicContact CD2-CG1 3.48Å; L71-V138 VanDerWaalsContact CD2-CG1 3.48Å; L71-V138 HydrophobicContact CG-CG1 4.05Å; L71-T141 HydrophobicContact CD1-CG2 3.65Å; L71-A142 HydrophobicContact CD2-CB 3.97Å
72	A	97.9	Very high	93.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.			trans	-70.9	143.7	169	0	0	0	0	0	109.3	M70 I103 L104 P105 F351	M70-A72 PolarHBondContact O-N 3.42Å; A72-I103 PolarHBondContact N-O 2.83Å; A72-L104 HydrophobicContact CB-CD2 3.98Å; A72-P105 WeakPolarHBondContact O-CD 3.43Å; A72-P105 WeakPolarHBondContact O-CG 3.25Å; A72-F351 HydrophobicContact CB-CD2 3.91Å; A72-F351 HydrophobicContact CB-CE2 4.04Å
73	V	97.5	Very high	93.9	Very high	2 Å²	2	45 Å²	45	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	158.4	-175.3	-57.1	0	0	0	0	110.4	G75 Y83 S84 P125 V138 L168	V73-G75 PolarHBondContact O-N 2.81Å; V73-Y83 CarbonylContact O-C 3.52Å; V73-Y83 WeakPolarHBondContact O-CA 3.46Å; V73-S84 PolarHBondContact N-O 2.85Å; V73-S84 PolarHBondContact O-N 3.01Å; V73-P125 HydrophobicContact CG1-CG 3.81Å; V73-V138 HydrophobicContact CB-CG1 4.49Å; V73-V138 HydrophobicContact CB-CG2 4.49Å; V73-V138 HydrophobicContact CG1-CG1 3.91Å; V73-L168 HydrophobicContact CB-CD2 4.29Å; V73-L168 HydrophobicContact CG1-CD2 4.16Å
74	H	96.1	Very high	94.6	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.116	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	123.9	169.5	-69.9	-67.8	0	0	0	109	E82 Y83 P128 H134 Q135	H74-E82 IonicContact CE1-OE1 3.97Å; H74-E82 PolarHBondContact ND1-O 2.69Å; H74-Y83 AromaticContact CD2-CE1 3.87Å; H74-Y83 AromaticContact CE1-CD1 3.95Å; H74-Y83 AromaticContact CE1-CE1 3.17Å; H74-Y83 WeakPolarHBondContact CE1-CE1 3.43Å; H74-Y83 AromaticContact CE1-CZ 3.52Å; H74-Y83 AromaticContact CG-CE1 3.92Å; H74-Y83 AromaticContact ND1-CD1 3.78Å; H74-Y83 AromaticContact ND1-CE1 3.48Å; H74-Y83 WeakPolarHBondContact ND1-CE1 3.4Å; H74-Y83 AromaticContact NE2-CE1 3.41Å; H74-Y83 WeakPolarHBondContact NE2-CE1 3.33Å; H74-Y83 AromaticContact NE2-CZ 3.93Å; H74-P128 WeakPolarHBondContact O-CD 3.21Å; H74-P128 WeakPolarHBondContact O-CG 3.35Å; H74-H134 VanDerWaalsContact CB-NE2 3.26Å; H74-H134 WeakPolarHBondContact CB-NE2 3.38Å; H74-H134 PolarHBondContact CD2-O 2.82Å; H74-Q135 VanDerWaalsContact N-OE1 3.11Å; H74-Q135 PolarHBondContact O-NE2 3.48Å
75	G	91	Very high	94.9	Very high	8 Å²	8	36 Å²	36	8%	0.082	18%	0.182	C	C	.	.			trans	-99	175.2	-176.1	0	0	0	0	0	113.5	V73 F77 S84	V73-G75 PolarHBondContact O-N 2.81Å; G75-F77 PolarHBondContact O-N 2.79Å; G75-S84 VanDerWaalsContact CA-OG 3.32Å; G75-S84 WeakPolarHBondContact CA-OG 3.38Å
76	D	88.2	Confident	95	Very high	113 Å²	113	30.9 Å²	30.9	60%	0.604	16%	0.159	S	C	*	.	S	Bend	trans	-74.6	-8.5	176.4	-66.2	-51.4	0	0	0	113.5	P78 P128	D76-P78 VanDerWaalsContact O-CD 3.3Å; D76-P78 WeakPolarHBondContact O-CD 3.3Å; D76-P128 WeakPolarHBondContact OD1-CB 3.49Å; D76-P128 WeakPolarHBondContact OD1-CG 3.32Å
77	F	90.7	Very high	95	Very high	43 Å²	43	30.9 Å²	30.9	19%	0.189	16%	0.159	C	C	.	.			trans	-121.9	62.8	-175.2	-48.8	-80	0	0	0	112.4	G75 K79 L80 G81 M338 D342 F350	G75-F77 PolarHBondContact O-N 2.79Å; F77-K79 PolarHBondContact O-N 3.41Å; F77-L80 HydrophobicContact CB-CB 4.3Å; F77-L80 HydrophobicContact CB-CD1 3.94Å; F77-L80 HydrophobicContact CB-CG 4.13Å; F77-L80 HydrophobicContact CG-CD1 4.37Å; F77-L80 PolarHBondContact O-N 2.87Å; F77-G81 PolarHBondContact O-N 3.08Å; F77-M338 HydrophobicContact CD1-CE 4.16Å; F77-M338 HydrophobicContact CD2-CE 3.55Å; F77-M338 HydrophobicContact CE1-CE 4.08Å; F77-M338 HydrophobicContact CE2-CE 3.46Å; F77-M338 VanDerWaalsContact CE2-CE 3.46Å; F77-M338 HydrophobicContact CG-CE 3.92Å; F77-M338 HydrophobicContact CZ-CE 3.75Å; F77-D342 HydrophobicContact CE1-CB 3.87Å; F77-D342 HydrophobicContact CZ-CB 3.51Å; F77-F350 HydrophobicContact CB-CE1 3.91Å; F77-F350 HydrophobicContact CB-CZ 4.17Å; F77-F350 HydrophobicContact CD2-CE1 4.31Å; F77-F350 HydrophobicContact CD2-CZ 4.14Å; F77-F350 HydrophobicContact CG-CZ 4.47Å
78	P	88.9	Confident	95	Very high	91 Å²	91	31 Å²	31	59%	0.591	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.7	-177	25.3	-35.5	0	0	0	113.9	D76 L80 G81	D76-P78 VanDerWaalsContact O-CD 3.3Å; D76-P78 WeakPolarHBondContact O-CD 3.3Å; P78-L80 VanDerWaalsContact C-N 3.35Å; P78-G81 WeakPolarHBondContact CA-O 3.14Å
79	K	90.6	Very high	95	Very high	208 Å²	208	31.1 Å²	31.1	90%	0.904	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.1	174.5	-65.4	-174.8	179.3	-179.3	0	113.9	F77	F77-K79 PolarHBondContact O-N 3.41Å
80	L	91.8	Very high	94.9	Very high	60 Å²	60	31.1 Å²	31.1	31%	0.314	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-25	176.7	-62.2	-179.2	0	0	0	111.6	F77 P78 M338 F350	F77-L80 HydrophobicContact CB-CB 4.3Å; F77-L80 HydrophobicContact CB-CD1 3.94Å; F77-L80 HydrophobicContact CB-CG 4.13Å; F77-L80 HydrophobicContact CG-CD1 4.37Å; F77-L80 PolarHBondContact O-N 2.87Å; P78-L80 VanDerWaalsContact C-N 3.35Å; L80-M338 HydrophobicContact CD1-CE 4.09Å; L80-M338 HydrophobicContact CD1-SD 4.45Å; L80-F350 HydrophobicContact CB-CD1 3.7Å; L80-F350 HydrophobicContact CB-CD2 3.91Å; L80-F350 HydrophobicContact CB-CE1 3.8Å; L80-F350 HydrophobicContact CB-CE2 3.97Å; L80-F350 HydrophobicContact CB-CG 3.76Å; L80-F350 HydrophobicContact CB-CZ 3.93Å; L80-F350 HydrophobicContact CD1-CD2 4.35Å; L80-F350 HydrophobicContact CD1-CE1 4.24Å; L80-F350 HydrophobicContact CD1-CE2 3.65Å; L80-F350 HydrophobicContact CD1-CZ 3.59Å; L80-F350 HydrophobicContact CG-CE2 4.46Å; L80-F350 HydrophobicContact CG-CZ 4.4Å; L80-F350 WeakPolarHBondContact O-CB 3.47Å
81	G	92.8	Very high	94.9	Very high	5 Å²	5	34.7 Å²	34.7	5%	0.052	17%	0.174	C	C	.	.			trans	175.7	148.4	172.7	0	0	0	0	0	109.4	F77 P78 Y83 F351	F77-G81 PolarHBondContact O-N 3.08Å; P78-G81 WeakPolarHBondContact CA-O 3.14Å; G81-Y83 VanDerWaalsContact C-N 3.29Å; G81-Y83 PolarHBondContact O-N 3.12Å; G81-F351 CarbonylContact C-O 3.54Å
82	E	93.5	Very high	94.8	Very high	71 Å²	71	34.8 Å²	34.8	33%	0.332	17%	0.174	S	C	.	.	S	Bend	trans	-63.6	-39.2	180	179.9	173.5	177.3	0	0	111.8	H74 F351 Q353	H74-E82 IonicContact CE1-OE1 3.97Å; H74-E82 PolarHBondContact ND1-O 2.69Å; E82-F351 PolarHBondContact N-O 3.05Å; E82-Q353 WeakPolarHBondContact OE2-CB 3.46Å; E82-Q353 PolarHBondContact OE2-OE1 3.21Å
83	Y	96.6	Very high	94.9	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.6	174.2	-58.8	-74.3	0	0	0	110.2	V73 H74 G81 P105 V138 F351 Q353	V73-Y83 CarbonylContact O-C 3.52Å; V73-Y83 WeakPolarHBondContact O-CA 3.46Å; H74-Y83 AromaticContact CD2-CE1 3.87Å; H74-Y83 AromaticContact CE1-CD1 3.95Å; H74-Y83 AromaticContact CE1-CE1 3.17Å; H74-Y83 WeakPolarHBondContact CE1-CE1 3.43Å; H74-Y83 AromaticContact CE1-CZ 3.52Å; H74-Y83 AromaticContact CG-CE1 3.92Å; H74-Y83 AromaticContact ND1-CD1 3.78Å; H74-Y83 AromaticContact ND1-CE1 3.48Å; H74-Y83 WeakPolarHBondContact ND1-CE1 3.4Å; H74-Y83 AromaticContact NE2-CE1 3.41Å; H74-Y83 WeakPolarHBondContact NE2-CE1 3.33Å; H74-Y83 AromaticContact NE2-CZ 3.93Å; G81-Y83 VanDerWaalsContact C-N 3.29Å; G81-Y83 PolarHBondContact O-N 3.12Å; Y83-P105 HydrophobicContact CD1-CB 4.34Å; Y83-P105 HydrophobicContact CD1-CG 3.66Å; Y83-P105 HydrophobicContact CE1-CB 3.66Å; Y83-P105 HydrophobicContact CE1-CG 3.47Å; Y83-P105 VanDerWaalsContact CE1-CG 3.47Å; Y83-P105 HydrophobicContact CE2-CB 4.41Å; Y83-P105 HydrophobicContact CG-CG 4.3Å; Y83-V138 HydrophobicContact CE1-CG2 4.27Å; Y83-F351 PolarHBondContact N-O 3.28Å; Y83-F351 VanDerWaalsContact N-O 3.14Å; Y83-F351 PolarHBondContact O-N 3.2Å; Y83-Q353 HydrophobicContact CE2-CB 4.47Å
84	S	96.4	Very high	94.9	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.6	178.4	69.3	0	0	0	0	111.8	V73 G75 Y349	V73-S84 PolarHBondContact N-O 2.85Å; V73-S84 PolarHBondContact O-N 3.01Å; G75-S84 VanDerWaalsContact CA-OG 3.32Å; G75-S84 WeakPolarHBondContact CA-OG 3.38Å; S84-Y349 CarbonylContact C-O 3.57Å; S84-Y349 WeakPolarHBondContact CA-O 3.29Å
85	L	96.8	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	115.7	173.4	-175.5	65.7	0	0	0	109.9	M70 A87 V90 P125 I330 Y349 F351	M70-L85 HydrophobicContact CB-CD2 4.19Å; M70-L85 HydrophobicContact CG-CD1 3.58Å; M70-L85 HydrophobicContact CG-CD2 3.94Å; M70-L85 HydrophobicContact CG-CG 4.35Å; M70-L85 HydrophobicContact SD-CD1 3.57Å; M70-L85 VanDerWaalsContact SD-CD1 3.57Å; M70-L85 HydrophobicContact SD-CD2 3.67Å; M70-L85 HydrophobicContact SD-CG 3.98Å; L85-A87 PolarHBondContact O-N 2.96Å; L85-V90 HydrophobicContact CD2-CG2 3.53Å; L85-V90 HydrophobicContact CG-CG2 4.07Å; L85-P125 HydrophobicContact CD1-CB 4.34Å; L85-P125 HydrophobicContact CD1-CG 3.87Å; L85-I330 HydrophobicContact CD2-CD1 4.43Å; L85-Y349 PolarHBondContact N-O 3.09Å; L85-Y349 PolarHBondContact O-N 3.4Å; L85-F351 HydrophobicContact CB-CE2 3.8Å; L85-F351 HydrophobicContact CB-CZ 4.4Å
86	P	96	Very high	95.2	Very high	12 Å²	12	40.9 Å²	40.9	8%	0.078	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	130	174	-23.4	33.2	0	0	0	111.1	S88 Y89 Y348	P86-S88 PolarHBondContact O-N 3.18Å; P86-S88 VanDerWaalsContact O-N 3.12Å; P86-Y89 HydrophobicContact CB-CD2 3.78Å; P86-Y89 HydrophobicContact CB-CE2 4Å; P86-Y89 HydrophobicContact CG-CD2 3.88Å; P86-Y89 HydrophobicContact CG-CE2 3.75Å; P86-Y89 PolarHBondContact O-N 2.83Å; P86-Y348 HydrophobicContact CB-CD1 4.26Å; P86-Y348 HydrophobicContact CB-CE1 3.99Å; P86-Y348 HydrophobicContact CG-CD1 4Å; P86-Y348 HydrophobicContact CG-CE1 3.57Å
87	A	97.2	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-18.8	-180	0	0	0	0	0	112.5	L85 Y89 V90 R91 E347 Y349	L85-A87 PolarHBondContact O-N 2.96Å; A87-Y89 VanDerWaalsContact C-N 3.34Å; A87-Y89 PolarHBondContact O-N 3.3Å; A87-V90 PolarHBondContact O-N 2.86Å; A87-R91 WeakPolarHBondContact O-CB 3.23Å; A87-R91 VanDerWaalsContact O-CG 3.25Å; A87-R91 WeakPolarHBondContact O-CG 3.4Å; A87-R91 PolarHBondContact O-N 2.96Å; A87-E347 HydrophobicContact CB-CB 3.71Å; A87-E347 WeakPolarHBondContact CB-O 3.4Å; A87-E347 PolarHBondContact N-O 3.43Å; A87-Y349 HydrophobicContact CB-CD2 4.28Å; A87-Y349 HydrophobicContact CB-CE2 3.72Å
88	S	97.3	Very high	96	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-43.2	173.9	56.7	0	0	0	0	112.6	P86 N92 E279 H283	P86-S88 PolarHBondContact O-N 3.18Å; P86-S88 VanDerWaalsContact O-N 3.12Å; S88-N92 VanDerWaalsContact O-CB 3.29Å; S88-N92 WeakPolarHBondContact O-CB 3.29Å; S88-N92 PolarHBondContact O-N 2.77Å; S88-E279 WeakPolarHBondContact OG-CG 3.4Å; S88-H283 PolarHBondContact O-CD2 3.5Å
89	Y	98.4	Very high	96.4	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-44.5	177.4	-65.2	-68.1	0	0	0	111.5	M70 P86 A87 R91 N92 V93 F123 P125 G126 T166 H277 E279	M70-Y89 VanDerWaalsContact SD-CB 3.56Å; P86-Y89 HydrophobicContact CB-CD2 3.78Å; P86-Y89 HydrophobicContact CB-CE2 4Å; P86-Y89 HydrophobicContact CG-CD2 3.88Å; P86-Y89 HydrophobicContact CG-CE2 3.75Å; P86-Y89 PolarHBondContact O-N 2.83Å; A87-Y89 VanDerWaalsContact C-N 3.34Å; A87-Y89 PolarHBondContact O-N 3.3Å; Y89-R91 PolarHBondContact O-N 3.44Å; Y89-N92 PolarHBondContact O-N 3.43Å; Y89-V93 PolarHBondContact O-N 3.46Å; Y89-F123 AromaticContact CD1-CE1 3.44Å; Y89-F123 HydrophobicContact CD1-CE1 3.44Å; Y89-F123 VanDerWaalsContact CD1-CE1 3.44Å; Y89-F123 AromaticContact CD1-CZ 3.64Å; Y89-F123 HydrophobicContact CD1-CZ 3.64Å; Y89-F123 HydrophobicContact CE1-CE1 4.02Å; Y89-F123 HydrophobicContact CE1-CZ 4.21Å; Y89-F123 AromaticContact CG-CE1 3.98Å; Y89-F123 HydrophobicContact CG-CE1 3.98Å; Y89-F123 HydrophobicContact CG-CZ 4.5Å; Y89-P125 HydrophobicContact CD1-CB 4.22Å; Y89-P125 HydrophobicContact CD2-CB 3.5Å; Y89-P125 VanDerWaalsContact CD2-CB 3.5Å; Y89-P125 HydrophobicContact CE1-CB 4.17Å; Y89-P125 HydrophobicContact CE2-CB 3.44Å; Y89-P125 VanDerWaalsContact CE2-CB 3.44Å; Y89-P125 HydrophobicContact CG-CB 3.9Å; Y89-G126 VanDerWaalsContact CZ-N 3.35Å; Y89-G126 WeakPolarHBondContact OH-CA 3.46Å; Y89-G126 PolarHBondContact OH-N 2.87Å; Y89-T166 HydrophobicContact CE1-CG2 3.88Å; Y89-H277 PolarHBondContact OH-CE1 3.04Å; Y89-H277 VanDerWaalsContact OH-CE1 3.23Å; Y89-H277 PolarHBondContact OH-ND1 3.09Å; Y89-H277 VanDerWaalsContact OH-ND1 3.08Å; Y89-E279 HydrophobicContact CD1-CB 3.99Å; Y89-E279 HydrophobicContact CD1-CG 3.56Å; Y89-E279 HydrophobicContact CE1-CB 4.27Å; Y89-E279 HydrophobicContact CE1-CG 3.51Å; Y89-E279 VanDerWaalsContact CE1-OE1 3.3Å; Y89-E279 WeakPolarHBondContact CE1-OE1 3.08Å; Y89-E279 WeakPolarHBondContact CE1-OE2 3.13Å; Y89-E279 HydrophobicContact CG-CG 4.13Å; Y89-E279 PolarHBondContact OH-OE1 3.14Å; Y89-E279 VanDerWaalsContact OH-OE1 3.06Å
90	V	98.3	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-49.7	178.1	177.5	0	0	0	0	110.4	M70 L85 A87 N92 V93 Q94 V100 I330 Y349	M70-V90 HydrophobicContact SD-CG2 3.93Å; L85-V90 HydrophobicContact CD2-CG2 3.53Å; L85-V90 HydrophobicContact CG-CG2 4.07Å; A87-V90 PolarHBondContact O-N 2.86Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 3.07Å; V90-V93 PolarHBondContact O-N 2.7Å; V90-Q94 HydrophobicContact CG1-CG 4.32Å; V90-Q94 WeakPolarHBondContact O-CB 3.49Å; V90-Q94 VanDerWaalsContact O-CG 3.26Å; V90-Q94 WeakPolarHBondContact O-CG 3.41Å; V90-Q94 PolarHBondContact O-N 2.69Å; V90-V100 HydrophobicContact CG1-CB 4.43Å; V90-V100 HydrophobicContact CG1-CG2 4.44Å; V90-V100 HydrophobicContact CG2-CG1 4.41Å; V90-I330 HydrophobicContact CG1-CG1 4.21Å; V90-I330 HydrophobicContact CG1-CG2 3.72Å; V90-I330 HydrophobicContact CG2-CG1 4.2Å; V90-Y349 HydrophobicContact CB-CE2 4.16Å; V90-Y349 HydrophobicContact CG1-CE2 4.33Å; V90-Y349 HydrophobicContact CG2-CD2 4.13Å; V90-Y349 HydrophobicContact CG2-CE2 3.81Å
91	R	98.1	Very high	97.1	Very high	76 Å²	76	23.1 Å²	23.1	29%	0.287	13%	0.131	S	C	.	.	H	α-helix	trans	-62	-38.2	178.6	-71	170	-173.7	171.8	-1.9	112.3	A87 Y89 Q94 S95 E347	A87-R91 WeakPolarHBondContact O-CB 3.23Å; A87-R91 VanDerWaalsContact O-CG 3.25Å; A87-R91 WeakPolarHBondContact O-CG 3.4Å; A87-R91 PolarHBondContact O-N 2.96Å; Y89-R91 PolarHBondContact O-N 3.44Å; R91-Q94 PolarHBondContact O-N 2.88Å; R91-S95 VanDerWaalsContact O-CB 3.31Å; R91-S95 WeakPolarHBondContact O-CB 3.31Å; R91-S95 PolarHBondContact O-N 3.28Å; R91-S95 PolarHBondContact O-OG 3.27Å; R91-E347 IonicContact CZ-OE2 3.48Å; R91-E347 IonicContact NH2-OE1 2.79Å; R91-E347 PolarHBondContact NH2-OE1 3.33Å; R91-E347 IonicContact NH2-OE2 3.46Å; R91-E347 PolarHBondContact NH2-OE2 3.42Å
92	N	97.3	Very high	97.3	Very high	2 Å²	2	23 Å²	23	1%	0.011	13%	0.129	C	C	.	.	H	α-helix	trans	-69.9	-39.2	-179	-163.4	-141.4	0	0	0	112.1	S88 Y89 V90 S95 E279 S301 M305	S88-N92 VanDerWaalsContact O-CB 3.29Å; S88-N92 WeakPolarHBondContact O-CB 3.29Å; S88-N92 PolarHBondContact O-N 2.77Å; Y89-N92 PolarHBondContact O-N 3.43Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 3.07Å; N92-S95 PolarHBondContact O-OG 2.96Å; N92-E279 HydrophobicContact CB-CB 3.99Å; N92-S301 PolarHBondContact ND2-OG 3.33Å; N92-M305 HydrophobicContact CB-CG 4.23Å; N92-M305 WeakPolarHBondContact OD1-CG 3.39Å
93	V	98.4	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-70.6	-41.6	173.3	170.4	0	0	0	0	111.4	I68 M70 Y89 V90 S95 A96 A98 V100 F123 M305	I68-V93 HydrophobicContact CB-CG1 4.32Å; I68-V93 HydrophobicContact CD1-CG1 3.83Å; M70-V93 HydrophobicContact CE-CB 4.02Å; M70-V93 HydrophobicContact CE-CG2 3.51Å; Y89-V93 PolarHBondContact O-N 3.46Å; V90-V93 PolarHBondContact O-N 2.7Å; V93-S95 PolarHBondContact O-N 2.92Å; V93-A96 PolarHBondContact O-N 3.22Å; V93-A98 HydrophobicContact CG1-CB 3.73Å; V93-A98 PolarHBondContact O-N 2.87Å; V93-V100 HydrophobicContact CB-CG2 3.99Å; V93-V100 HydrophobicContact CG1-CG2 3.62Å; V93-F123 HydrophobicContact CG2-CD2 3.89Å; V93-F123 HydrophobicContact CG2-CE2 4.14Å; V93-F123 HydrophobicContact CG2-CG 4.44Å; V93-M305 HydrophobicContact CG2-SD 4.21Å
94	Q	97.9	Very high	97.5	Very high	71 Å²	71	20.4 Å²	20.4	33%	0.332	12%	0.118	S	C	.	.	H	α-helix	trans	-65.1	-37.3	178	-75.9	178.1	-34.4	0	0	112.9	V90 R91 A96 G97 A98 V100	V90-Q94 HydrophobicContact CG1-CG 4.32Å; V90-Q94 WeakPolarHBondContact O-CB 3.49Å; V90-Q94 VanDerWaalsContact O-CG 3.26Å; V90-Q94 WeakPolarHBondContact O-CG 3.41Å; V90-Q94 PolarHBondContact O-N 2.69Å; R91-Q94 PolarHBondContact O-N 2.88Å; Q94-A96 PolarHBondContact O-N 2.95Å; Q94-G97 PolarHBondContact O-N 3.49Å; Q94-A98 WeakPolarHBondContact CA-O 3.44Å; Q94-V100 HydrophobicContact CG-CG2 4.38Å
95	S	96.8	Very high	97.6	Very high	74 Å²	74	20.4 Å²	20.4	52%	0.517	12%	0.118	S	C	.	.	H	α-helix	trans	-67	-20.6	178.4	66.4	0	0	0	0	113.2	R91 N92 V93 G97	R91-S95 VanDerWaalsContact O-CB 3.31Å; R91-S95 WeakPolarHBondContact O-CB 3.31Å; R91-S95 PolarHBondContact O-N 3.28Å; R91-S95 PolarHBondContact O-OG 3.27Å; N92-S95 PolarHBondContact O-OG 2.96Å; V93-S95 PolarHBondContact O-N 2.92Å; S95-G97 VanDerWaalsContact C-N 3.33Å
96	A	97.5	Very high	97.4	Very high	17 Å²	17	22.1 Å²	22.1	14%	0.14	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.1	171.2	0	0	0	0	0	113.8	V93 Q94 M305 N306 V309	V93-A96 PolarHBondContact O-N 3.22Å; Q94-A96 PolarHBondContact O-N 2.95Å; A96-M305 HydrophobicContact CB-CB 3.74Å; A96-N306 WeakPolarHBondContact CB-OD1 3.35Å; A96-V309 HydrophobicContact CB-CB 4.08Å; A96-V309 HydrophobicContact CB-CG2 3.54Å; A96-V309 WeakPolarHBondContact O-CG1 3.38Å
97	G	96.7	Very high	97.4	Very high	53 Å²	53	24 Å²	24	55%	0.546	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	95	18.2	171.6	0	0	0	0	0	115.8	Q94 S95	Q94-G97 PolarHBondContact O-N 3.49Å; S95-G97 VanDerWaalsContact C-N 3.33Å
98	A	97.8	Very high	97.4	Very high	7 Å²	7	26.9 Å²	26.9	6%	0.058	16%	0.164	C	C	.	.			trans	-106.9	154.2	177.2	0	0	0	0	0	113.3	P66 I68 V93 Q94 V309	P66-A98 HydrophobicContact CG-CB 4.05Å; I68-A98 HydrophobicContact CD1-CB 3.67Å; I68-A98 HydrophobicContact CG1-CB 4.14Å; V93-A98 HydrophobicContact CG1-CB 3.73Å; V93-A98 PolarHBondContact O-N 2.87Å; Q94-A98 WeakPolarHBondContact CA-O 3.44Å; A98-V309 HydrophobicContact CB-CG1 3.97Å; A98-V309 HydrophobicContact CB-CG2 3.77Å
99	R	97.8	Very high	97.4	Very high	81 Å²	81	30.1 Å²	30.1	31%	0.306	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	154.7	164.9	-72.1	173.3	-71.2	-154.6	-4.3	109.7	E65 P66 V67 I68	E65-R99 PolarHBondContact O-NH2 3.4Å; E65-R99 IonicContact OE2-CZ 3.71Å; E65-R99 IonicContact OE2-NH1 3.97Å; E65-R99 PolarHBondContact OE2-NH1 3.15Å; E65-R99 IonicContact OE2-NH2 2.85Å; E65-R99 PolarHBondContact OE2-NH2 2.87Å; P66-R99 PolarHBondContact O-N 3.35Å; V67-R99 WeakPolarHBondContact CA-O 3.37Å; V67-R99 HydrophobicContact CG1-CB 4.32Å; V67-R99 HydrophobicContact CG2-CB 4.25Å; I68-R99 PolarHBondContact N-O 3.21Å
100	V	98.6	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.4	-179.6	175.3	0	0	0	0	110.5	I68 M70 V90 V93 Q94 I330	I68-V100 WeakPolarHBondContact O-CA 3.41Å; M70-V100 HydrophobicContact CB-CG1 3.64Å; M70-V100 HydrophobicContact CE-CG1 4.23Å; M70-V100 HydrophobicContact CE-CG2 4.15Å; M70-V100 HydrophobicContact SD-CG1 4.28Å; V90-V100 HydrophobicContact CG1-CB 4.43Å; V90-V100 HydrophobicContact CG1-CG2 4.44Å; V90-V100 HydrophobicContact CG2-CG1 4.41Å; V93-V100 HydrophobicContact CB-CG2 3.99Å; V93-V100 HydrophobicContact CG1-CG2 3.62Å; Q94-V100 HydrophobicContact CG-CG2 4.38Å; V100-I330 HydrophobicContact CB-CB 4.36Å; V100-I330 HydrophobicContact CB-CG2 3.82Å; V100-I330 HydrophobicContact CG1-CB 4.3Å; V100-I330 HydrophobicContact CG1-CG2 4.25Å; V100-I330 WeakPolarHBondContact O-CB 3.49Å; V100-I330 WeakPolarHBondContact O-CG2 3.41Å; V100-I330 PolarHBondContact O-N 3.19Å
101	V	98.5	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.9	169.6	167.4	0	0	0	0	107.6	V67 I68 G69 M70 I103 L115 L119 F319 L325 N328	V67-V101 HydrophobicContact CG1-CB 4.34Å; V67-V101 HydrophobicContact CG1-CG2 3.49Å; V67-V101 VanDerWaalsContact CG1-CG2 3.49Å; I68-V101 PolarHBondContact O-N 3.41Å; G69-V101 CarbonylContact C-O 3.23Å; G69-V101 WeakPolarHBondContact CA-O 3.25Å; M70-V101 PolarHBondContact N-O 3.07Å; V101-I103 PolarHBondContact O-N 3.02Å; V101-L115 HydrophobicContact CG1-CD2 4.39Å; V101-L119 HydrophobicContact CB-CD2 3.92Å; V101-L119 HydrophobicContact CG1-CD2 4.4Å; V101-L119 HydrophobicContact CG2-CD2 4.13Å; V101-F319 HydrophobicContact CG2-CE2 4.27Å; V101-F319 HydrophobicContact CG2-CZ 4Å; V101-L325 HydrophobicContact CG2-CD1 4.28Å; V101-N328 HydrophobicContact CG1-CB 4.17Å; V101-N328 HydrophobicContact CG2-CB 4.37Å
102	P	98.1	Very high	97.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.013	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.2	174	28.4	-31.7	0	0	0	110.1	M70 N328 I330 Y333 F351	M70-P102 CarbonylContact O-C 3.54Å; M70-P102 WeakPolarHBondContact O-CA 3.47Å; P102-N328 WeakPolarHBondContact CD-O 3.36Å; P102-I330 HydrophobicContact CB-CD1 4.16Å; P102-I330 HydrophobicContact CG-CD1 3.91Å; P102-Y333 HydrophobicContact CG-CD2 4.37Å; P102-Y333 HydrophobicContact CG-CE2 3.81Å; P102-F351 HydrophobicContact CB-CE1 3.91Å; P102-F351 HydrophobicContact CB-CE2 4.44Å; P102-F351 HydrophobicContact CB-CZ 3.69Å; P102-F351 HydrophobicContact CG-CE1 3.94Å; P102-F351 HydrophobicContact CG-CZ 4.15Å
103	I	98.1	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.3	171.4	-59.1	172.3	0	0	0	107.2	M70 L71 A72 V101 Y112 L115 L119 L122 T141 F145	M70-I103 PolarHBondContact O-N 3.25Å; L71-I103 HydrophobicContact CD1-CB 3.98Å; L71-I103 HydrophobicContact CD1-CG2 3.74Å; A72-I103 PolarHBondContact N-O 2.83Å; V101-I103 PolarHBondContact O-N 3.02Å; I103-Y112 HydrophobicContact CG2-CD1 4.14Å; I103-Y112 HydrophobicContact CG2-CE1 3.93Å; I103-L115 HydrophobicContact CG1-CD1 4.03Å; I103-L115 HydrophobicContact CG2-CD1 4.5Å; I103-L119 HydrophobicContact CD1-CD1 3.95Å; I103-L119 HydrophobicContact CG1-CD1 4.39Å; I103-L122 HydrophobicContact CD1-CD1 3.58Å; I103-T141 HydrophobicContact CG2-CG2 4.29Å; I103-F145 HydrophobicContact CD1-CE1 4.15Å; I103-F145 HydrophobicContact CD1-CE2 4.27Å; I103-F145 HydrophobicContact CD1-CZ 3.86Å; I103-F145 HydrophobicContact CG2-CE2 4.05Å; I103-F145 HydrophobicContact CG2-CZ 4.19Å
104	L	96.3	Very high	97.2	Very high	21 Å²	21	43.9 Å²	43.9	11%	0.11	24%	0.242	C	C	.	.			trans	-86.5	130.6	177.3	-55.9	-173.5	0	0	0	110.2	A72 E107 Y112 F351	A72-L104 HydrophobicContact CB-CD2 3.98Å; L104-E107 HydrophobicContact CB-CG 4.29Å; L104-Y112 WeakPolarHBondContact O-CE1 3.43Å; L104-Y112 PolarHBondContact O-OH 3.13Å; L104-Y112 VanDerWaalsContact O-OH 3.09Å; L104-F351 HydrophobicContact CD1-CB 4.36Å; L104-F351 HydrophobicContact CD2-CB 3.58Å; L104-F351 HydrophobicContact CD2-CD1 3.78Å; L104-F351 HydrophobicContact CD2-CD2 3.91Å; L104-F351 HydrophobicContact CD2-CE1 4.42Å; L104-F351 HydrophobicContact CD2-CG 3.48Å; L104-F351 VanDerWaalsContact CD2-CG 3.48Å
105	P	96.7	Very high	97.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.013	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	159.8	170.9	-17.1	30.9	0	0	0	112.3	L71 A72 Y83 E107 Y112 E137 V138	L71-P105 HydrophobicContact CD1-CG 4.31Å; A72-P105 WeakPolarHBondContact O-CD 3.43Å; A72-P105 WeakPolarHBondContact O-CG 3.25Å; Y83-P105 HydrophobicContact CD1-CB 4.34Å; Y83-P105 HydrophobicContact CD1-CG 3.66Å; Y83-P105 HydrophobicContact CE1-CB 3.66Å; Y83-P105 HydrophobicContact CE1-CG 3.47Å; Y83-P105 VanDerWaalsContact CE1-CG 3.47Å; Y83-P105 HydrophobicContact CE2-CB 4.41Å; Y83-P105 HydrophobicContact CG-CG 4.3Å; P105-E107 VanDerWaalsContact C-N 3.29Å; P105-E107 PolarHBondContact O-N 3.07Å; P105-Y112 VanDerWaalsContact C-OH 3.32Å; P105-Y112 WeakPolarHBondContact CA-OH 3.34Å; P105-E137 HydrophobicContact CB-CG 4.26Å; P105-V138 HydrophobicContact CB-CG2 4.35Å; P105-V138 HydrophobicContact CG-CG2 3.79Å
106	G	94.3	Very high	97.3	Very high	37 Å²	37	38.4 Å²	38.4	38%	0.381	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-6.9	178.7	0	0	0	0	0	116	Y112	G106-Y112 PolarHBondContact N-OH 3.36Å
107	E	95.6	Very high	97.2	Very high	51 Å²	51	40.7 Å²	40.7	24%	0.238	22%	0.223	C	C	.	.			trans	-67.2	168.2	174.7	-68	-66.5	157.8	0	0	113.9	L104 P105 Y111 Y112 S354	L104-E107 HydrophobicContact CB-CG 4.29Å; P105-E107 VanDerWaalsContact C-N 3.29Å; P105-E107 PolarHBondContact O-N 3.07Å; E107-Y111 HydrophobicContact CB-CD1 3.37Å; E107-Y111 HydrophobicContact CB-CE1 3.88Å; E107-Y111 HydrophobicContact CB-CG 3.9Å; E107-Y111 HydrophobicContact CG-CD1 3.73Å; E107-Y111 HydrophobicContact CG-CE1 3.74Å; E107-Y111 HydrophobicContact CG-CG 4.25Å; E107-Y112 HydrophobicContact CB-CE1 3.83Å; E107-Y112 HydrophobicContact CB-CE2 4.21Å; E107-Y112 PolarHBondContact N-OH 3.48Å; E107-Y112 WeakPolarHBondContact O-CE2 3.46Å; E107-S354 WeakPolarHBondContact OE1-CB 3.41Å; E107-S354 PolarHBondContact OE1-OG 2.96Å
108	S	96.4	Very high	97.2	Very high	61 Å²	61	39.9 Å²	39.9	43%	0.427	21%	0.205	S	C	.	.			trans	-67.3	154.1	178.6	68.6	0	0	0	0	113.6	D110 Y111 Y112	S108-D110 PolarHBondContact O-N 3.28Å; S108-Y111 WeakPolarHBondContact O-CB 3.35Å; S108-Y111 PolarHBondContact O-N 3.07Å; S108-Y111 VanDerWaalsContact O-N 3.11Å; S108-Y111 WeakPolarHBondContact OG-CB 3.16Å; S108-Y111 PolarHBondContact OG-N 2.79Å; S108-Y112 VanDerWaalsContact O-CD2 3.29Å; S108-Y112 WeakPolarHBondContact O-CD2 3.45Å; S108-Y112 PolarHBondContact O-N 2.82Å; S108-Y112 VanDerWaalsContact O-N 3.16Å
109	L	97.6	Very high	97.2	Very high	74 Å²	74	39.6 Å²	39.6	39%	0.387	20%	0.203	S	C	.	.	H	α-helix	trans	-60.3	-35	175.3	-166.3	69	0	0	0	112.4	Y111 Y112 K113 Y144 W148	L109-Y111 VanDerWaalsContact C-N 3.34Å; L109-Y112 PolarHBondContact O-N 2.84Å; L109-K113 HydrophobicContact CG-CD 4.49Å; L109-K113 WeakPolarHBondContact O-CB 3.2Å; L109-K113 WeakPolarHBondContact O-CG 3.29Å; L109-K113 PolarHBondContact O-N 3.45Å; L109-Y144 HydrophobicContact CD1-CD1 3.95Å; L109-Y144 HydrophobicContact CD1-CD2 4.17Å; L109-Y144 HydrophobicContact CD1-CE1 4.05Å; L109-Y144 HydrophobicContact CD1-CE2 4.26Å; L109-Y144 HydrophobicContact CD1-CG 4.02Å; L109-W148 HydrophobicContact CD1-CH2 3.81Å; L109-W148 HydrophobicContact CD1-CZ2 3.62Å; L109-W148 HydrophobicContact CG-CH2 4.43Å; L109-W148 HydrophobicContact CG-CZ2 4.18Å
110	D	97.6	Very high	97.2	Very high	100 Å²	100	35.7 Å²	35.7	54%	0.535	19%	0.188	S	C	.	.	H	α-helix	trans	-68.5	-35.1	177.4	-69.8	-24.6	0	0	0	111.9	S108 R114	S108-D110 PolarHBondContact O-N 3.28Å; D110-R114 WeakPolarHBondContact O-CG 3.35Å; D110-R114 PolarHBondContact O-N 3.49Å; D110-R114 PolarHBondContact O-NH1 3.38Å
111	Y	96.4	Very high	97.2	Very high	36 Å²	36	35.7 Å²	35.7	14%	0.141	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-51.5	170.7	171.3	-93	0	0	0	111	E107 S108 L109 K113 R114 L115	E107-Y111 HydrophobicContact CB-CD1 3.37Å; E107-Y111 HydrophobicContact CB-CE1 3.88Å; E107-Y111 HydrophobicContact CB-CG 3.9Å; E107-Y111 HydrophobicContact CG-CD1 3.73Å; E107-Y111 HydrophobicContact CG-CE1 3.74Å; E107-Y111 HydrophobicContact CG-CG 4.25Å; S108-Y111 WeakPolarHBondContact O-CB 3.35Å; S108-Y111 PolarHBondContact O-N 3.07Å; S108-Y111 VanDerWaalsContact O-N 3.11Å; S108-Y111 WeakPolarHBondContact OG-CB 3.16Å; S108-Y111 PolarHBondContact OG-N 2.79Å; L109-Y111 VanDerWaalsContact C-N 3.34Å; Y111-K113 PolarHBondContact O-N 3.45Å; Y111-R114 PolarHBondContact O-N 3.04Å; Y111-L115 HydrophobicContact CD1-CD1 4.23Å; Y111-L115 HydrophobicContact CE1-CD1 3.46Å; Y111-L115 VanDerWaalsContact CE1-CD1 3.46Å; Y111-L115 HydrophobicContact CE1-CG 4.28Å; Y111-L115 HydrophobicContact CE2-CD1 4.27Å; Y111-L115 VanDerWaalsContact CZ-CD1 3.5Å; Y111-L115 PolarHBondContact O-N 3Å; Y111-L115 VanDerWaalsContact O-N 3.07Å
112	Y	98.2	Very high	97.3	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-39.1	179.6	-60.8	-48.6	0	0	0	113.1	I103 L104 P105 G106 E107 S108 L109 R114 L115 F116 T141 Y144 F145	I103-Y112 HydrophobicContact CG2-CD1 4.14Å; I103-Y112 HydrophobicContact CG2-CE1 3.93Å; L104-Y112 WeakPolarHBondContact O-CE1 3.43Å; L104-Y112 PolarHBondContact O-OH 3.13Å; L104-Y112 VanDerWaalsContact O-OH 3.09Å; P105-Y112 VanDerWaalsContact C-OH 3.32Å; P105-Y112 WeakPolarHBondContact CA-OH 3.34Å; G106-Y112 PolarHBondContact N-OH 3.36Å; E107-Y112 HydrophobicContact CB-CE1 3.83Å; E107-Y112 HydrophobicContact CB-CE2 4.21Å; E107-Y112 PolarHBondContact N-OH 3.48Å; E107-Y112 WeakPolarHBondContact O-CE2 3.46Å; S108-Y112 VanDerWaalsContact O-CD2 3.29Å; S108-Y112 WeakPolarHBondContact O-CD2 3.45Å; S108-Y112 PolarHBondContact O-N 2.82Å; S108-Y112 VanDerWaalsContact O-N 3.16Å; L109-Y112 PolarHBondContact O-N 2.84Å; Y112-R114 VanDerWaalsContact C-N 3.34Å; Y112-R114 PolarHBondContact O-N 2.89Å; Y112-L115 PolarHBondContact O-N 3.4Å; Y112-F116 WeakPolarHBondContact O-CB 3.14Å; Y112-F116 PolarHBondContact O-N 3.22Å; Y112-T141 HydrophobicContact CD1-CG2 4.14Å; Y112-T141 HydrophobicContact CE1-CG2 3.47Å; Y112-T141 VanDerWaalsContact CE1-CG2 3.47Å; Y112-T141 HydrophobicContact CE2-CG2 4.13Å; Y112-T141 VanDerWaalsContact CZ-CG2 3.47Å; Y112-T141 PolarHBondContact OH-OG1 2.9Å; Y112-Y144 AromaticContact CD2-CD2 3.78Å; Y112-Y144 HydrophobicContact CD2-CD2 3.78Å; Y112-Y144 HydrophobicContact CD2-CE2 4.17Å; Y112-Y144 HydrophobicContact CE2-CD2 4.04Å; Y112-Y144 HydrophobicContact CE2-CE2 4.12Å; Y112-F145 AromaticContact CD1-CE2 3.72Å; Y112-F145 HydrophobicContact CD1-CE2 3.72Å; Y112-F145 AromaticContact CD1-CZ 3.94Å; Y112-F145 HydrophobicContact CD1-CZ 3.94Å; Y112-F145 HydrophobicContact CE1-CE2 4.47Å; Y112-F145 HydrophobicContact CG-CE2 4.07Å; Y112-F145 HydrophobicContact CG-CZ 4.33Å
113	K	97.9	Very high	97.3	Very high	99 Å²	99	35.7 Å²	35.7	43%	0.43	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-40.7	176.3	-77.9	178	178.6	174.8	0	112.2	L109 Y111 F116 S117 W148	L109-K113 HydrophobicContact CG-CD 4.49Å; L109-K113 WeakPolarHBondContact O-CB 3.2Å; L109-K113 WeakPolarHBondContact O-CG 3.29Å; L109-K113 PolarHBondContact O-N 3.45Å; Y111-K113 PolarHBondContact O-N 3.45Å; K113-F116 PolarHBondContact O-N 3.27Å; K113-S117 PolarHBondContact O-N 3.45Å; K113-W148 HydrophobicContact CB-CH2 4.31Å; K113-W148 HydrophobicContact CD-CZ2 4.35Å; K113-W148 HydrophobicContact CG-CH2 3.47Å; K113-W148 VanDerWaalsContact CG-CH2 3.47Å; K113-W148 HydrophobicContact CG-CZ2 3.46Å; K113-W148 VanDerWaalsContact CG-CZ2 3.46Å; K113-W148 HydrophobicContact CG-CZ3 4.24Å
114	R	96.9	Very high	97.3	Very high	133 Å²	133	35.7 Å²	35.7	50%	0.502	19%	0.188	S	C	.	.	H	α-helix	trans	-61.7	-47.5	174.5	-73.5	-172.2	-53.9	-92.5	7.6	110.8	D110 Y111 Y112 F116 S117 Q118	D110-R114 WeakPolarHBondContact O-CG 3.35Å; D110-R114 PolarHBondContact O-N 3.49Å; D110-R114 PolarHBondContact O-NH1 3.38Å; Y111-R114 PolarHBondContact O-N 3.04Å; Y112-R114 VanDerWaalsContact C-N 3.34Å; Y112-R114 PolarHBondContact O-N 2.89Å; R114-F116 PolarHBondContact O-N 2.93Å; R114-S117 PolarHBondContact O-N 3.2Å; R114-S117 PolarHBondContact O-OG 3.32Å; R114-Q118 VanDerWaalsContact O-CG 3.25Å; R114-Q118 WeakPolarHBondContact O-CG 3.4Å; R114-Q118 PolarHBondContact O-N 3.34Å; R114-Q118 PolarHBondContact O-OE1 2.77Å
115	L	97.6	Very high	97.4	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-42.7	177.2	-72.1	-170.9	0	0	0	112.3	V101 I103 Y111 Y112 S117 Q118 L119 F145 F319	V101-L115 HydrophobicContact CG1-CD2 4.39Å; I103-L115 HydrophobicContact CG1-CD1 4.03Å; I103-L115 HydrophobicContact CG2-CD1 4.5Å; Y111-L115 HydrophobicContact CD1-CD1 4.23Å; Y111-L115 HydrophobicContact CE1-CD1 3.46Å; Y111-L115 VanDerWaalsContact CE1-CD1 3.46Å; Y111-L115 HydrophobicContact CE1-CG 4.28Å; Y111-L115 HydrophobicContact CE2-CD1 4.27Å; Y111-L115 VanDerWaalsContact CZ-CD1 3.5Å; Y111-L115 PolarHBondContact O-N 3Å; Y111-L115 VanDerWaalsContact O-N 3.07Å; Y112-L115 PolarHBondContact O-N 3.4Å; L115-S117 VanDerWaalsContact C-N 3.27Å; L115-S117 PolarHBondContact O-N 3.12Å; L115-Q118 PolarHBondContact O-N 2.97Å; L115-L119 HydrophobicContact CB-CD1 3.81Å; L115-L119 HydrophobicContact CB-CG 4.43Å; L115-L119 VanDerWaalsContact O-CB 3.3Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 2.83Å; L115-F145 HydrophobicContact CB-CE1 4.5Å; L115-F145 HydrophobicContact CB-CZ 4.42Å; L115-F319 HydrophobicContact CD2-CZ 4.35Å
116	F	98.1	Very high	97.5	Very high	27 Å²	27	34.8 Å²	34.8	12%	0.118	18%	0.184	C	C	.	.	H	α-helix	trans	-58.3	-37.3	178	-178.8	-98.4	0	0	0	112.9	Y112 K113 R114 Q118 F145 W148 A149 A152 W161 N317	Y112-F116 WeakPolarHBondContact O-CB 3.14Å; Y112-F116 PolarHBondContact O-N 3.22Å; K113-F116 PolarHBondContact O-N 3.27Å; R114-F116 PolarHBondContact O-N 2.93Å; F116-Q118 VanDerWaalsContact C-N 3.31Å; F116-F145 HydrophobicContact CB-CD1 4.27Å; F116-F145 HydrophobicContact CB-CE1 4.07Å; F116-F145 AromaticContact CD2-CD1 3.94Å; F116-F145 HydrophobicContact CD2-CD1 3.94Å; F116-W148 HydrophobicContact CB-CE3 3.81Å; F116-W148 HydrophobicContact CB-CZ3 4.11Å; F116-W148 HydrophobicContact CD1-CB 4.15Å; F116-W148 HydrophobicContact CD1-CE3 4.46Å; F116-W148 HydrophobicContact CD2-CB 3.99Å; F116-W148 HydrophobicContact CD2-CE3 4.05Å; F116-W148 HydrophobicContact CE1-CB 3.81Å; F116-W148 HydrophobicContact CE2-CB 3.63Å; F116-W148 HydrophobicContact CG-CB 4.23Å; F116-W148 AromaticContact CG-CE3 3.85Å; F116-W148 HydrophobicContact CG-CE3 3.85Å; F116-W148 HydrophobicContact CZ-CB 3.54Å; F116-A149 HydrophobicContact CE2-CB 4.47Å; F116-A152 HydrophobicContact CE1-CB 4.43Å; F116-A152 HydrophobicContact CZ-CB 4.15Å; F116-W161 AromaticContact CD2-CD2 3.99Å; F116-W161 HydrophobicContact CD2-CD2 3.99Å; F116-W161 AromaticContact CD2-CE2 3.67Å; F116-W161 HydrophobicContact CD2-CE3 4.34Å; F116-W161 HydrophobicContact CD2-CH2 4.03Å; F116-W161 AromaticContact CD2-CZ2 3.72Å; F116-W161 HydrophobicContact CD2-CZ2 3.72Å; F116-W161 HydrophobicContact CD2-CZ3 4.33Å; F116-W161 HydrophobicContact CE2-CB 4.45Å; F116-W161 AromaticContact CE2-CD2 3.48Å; F116-W161 HydrophobicContact CE2-CD2 3.48Å; F116-W161 VanDerWaalsContact CE2-CD2 3.48Å; F116-W161 AromaticContact CE2-CE2 3.65Å; F116-W161 AromaticContact CE2-CE3 3.82Å; F116-W161 HydrophobicContact CE2-CE3 3.82Å; F116-W161 AromaticContact CE2-CG 3.77Å; F116-W161 HydrophobicContact CE2-CG 3.77Å; F116-W161 HydrophobicContact CE2-CH2 4.34Å; F116-W161 HydrophobicContact CE2-CZ2 4.11Å; F116-W161 HydrophobicContact CE2-CZ3 4.21Å; F116-W161 HydrophobicContact CZ-CB 4.46Å; F116-W161 HydrophobicContact CZ-CD2 4.27Å; F116-W161 HydrophobicContact CZ-CG 4.08Å; F116-W161 PolarHBondContact O-NE1 2.83Å; F116-N317 PolarHBondContact O-ND2 2.93Å
117	S	96.2	Very high	97.5	Very high	65 Å²	65	34.4 Å²	34.4	46%	0.455	18%	0.18	S	C	.	.	H	α-helix	trans	-78.2	-13	177	68.3	0	0	0	0	114.2	K113 R114 L115 N317	K113-S117 PolarHBondContact O-N 3.45Å; R114-S117 PolarHBondContact O-N 3.2Å; R114-S117 PolarHBondContact O-OG 3.32Å; L115-S117 VanDerWaalsContact C-N 3.27Å; L115-S117 PolarHBondContact O-N 3.12Å; S117-N317 PolarHBondContact O-OD1 2.69Å
118	Q	97	Very high	97.5	Very high	36 Å²	36	33.5 Å²	33.5	17%	0.168	18%	0.178	C	C	.	.	H	α-helix	trans	-106.4	-26.4	-177.3	-67.1	176.3	-56.4	0	0	113.6	R114 L115 F116 K318 F319	R114-Q118 VanDerWaalsContact O-CG 3.25Å; R114-Q118 WeakPolarHBondContact O-CG 3.4Å; R114-Q118 PolarHBondContact O-N 3.34Å; R114-Q118 PolarHBondContact O-OE1 2.77Å; L115-Q118 PolarHBondContact O-N 2.97Å; F116-Q118 VanDerWaalsContact C-N 3.31Å; Q118-K318 CarbonylContact O-C 3.28Å; Q118-K318 PolarHBondContact O-N 3.47Å; Q118-F319 HydrophobicContact CB-CD1 4.36Å; Q118-F319 HydrophobicContact CB-CD2 3.94Å; Q118-F319 HydrophobicContact CB-CE1 4.33Å; Q118-F319 HydrophobicContact CB-CE2 3.91Å; Q118-F319 HydrophobicContact CB-CG 4.17Å; Q118-F319 HydrophobicContact CB-CZ 4.11Å
119	L	98	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.			trans	-92.9	151	-176.9	-63.7	170	0	0	0	111.9	V67 V101 I103 L115 W161 N317 F319	V67-L119 HydrophobicContact CB-CD2 4.25Å; V67-L119 HydrophobicContact CG1-CD2 3.71Å; V67-L119 WeakPolarHBondContact O-CA 3.35Å; V101-L119 HydrophobicContact CB-CD2 3.92Å; V101-L119 HydrophobicContact CG1-CD2 4.4Å; V101-L119 HydrophobicContact CG2-CD2 4.13Å; I103-L119 HydrophobicContact CD1-CD1 3.95Å; I103-L119 HydrophobicContact CG1-CD1 4.39Å; L115-L119 HydrophobicContact CB-CD1 3.81Å; L115-L119 HydrophobicContact CB-CG 4.43Å; L115-L119 VanDerWaalsContact O-CB 3.3Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 2.83Å; L119-W161 HydrophobicContact CB-CZ2 4.21Å; L119-W161 PolarHBondContact O-NE1 2.89Å; L119-N317 VanDerWaalsContact O-CB 3.28Å; L119-N317 WeakPolarHBondContact O-CB 3.44Å; L119-N317 PolarHBondContact O-ND2 3.37Å; L119-F319 HydrophobicContact CD2-CE2 3.94Å; L119-F319 HydrophobicContact CD2-CZ 4.25Å
120	N	98	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-92.8	-6	-178.2	-58.5	99.7	0	0	0	114	P66 V67 P162 C312 N315 N317	P66-N120 WeakPolarHBondContact CA-OD1 3.5Å; P66-N120 HydrophobicContact CB-CB 4.02Å; V67-N120 PolarHBondContact N-OD1 3.17Å; V67-N120 PolarHBondContact O-N 2.93Å; N120-P162 WeakPolarHBondContact O-CD 3.32Å; N120-C312 HydrophobicContact CB-CB 4.13Å; N120-C312 WeakPolarHBondContact CB-O 3.31Å; N120-N315 WeakPolarHBondContact CA-OD1 3.43Å; N120-N315 PolarHBondContact ND2-O 3.16Å; N120-N315 PolarHBondContact ND2-OD1 3.31Å; N120-N315 PolarHBondContact O-ND2 2.91Å; N120-N317 PolarHBondContact ND2-O 3.18Å
121	G	98.5	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	175.8	177.4	0	0	0	0	0	112.2	G69 W161 P162	G69-G121 PolarHBondContact N-O 3.05Å; G121-W161 VanDerWaalsContact C-CH2 3.48Å; G121-P162 CarbonylContact C-O 3.54Å; G121-P162 WeakPolarHBondContact CA-O 3.32Å
122	L	98.9	Very high	97.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.2	177.6	-179.2	64.7	0	0	0	111.9	G69 L71 I103 I124 F145 W161 P162 I163 W164 F308	G69-L122 CarbonylContact O-C 3.56Å; G69-L122 WeakPolarHBondContact O-CA 3.43Å; L71-L122 HydrophobicContact CB-CD1 4.44Å; I103-L122 HydrophobicContact CD1-CD1 3.58Å; L122-I124 HydrophobicContact CD2-CD1 3.89Å; L122-I124 HydrophobicContact CD2-CG1 3.73Å; L122-I124 HydrophobicContact CG-CG1 3.83Å; L122-F145 HydrophobicContact CD2-CB 3.7Å; L122-F145 HydrophobicContact CD2-CG 4.19Å; L122-W161 HydrophobicContact CB-CH2 3.51Å; L122-W161 HydrophobicContact CB-CZ3 3.43Å; L122-W161 VanDerWaalsContact CB-CZ3 3.43Å; L122-P162 PolarHBondContact N-O 3.26Å; L122-I163 HydrophobicContact CB-CG1 4.24Å; L122-I163 HydrophobicContact CB-CG2 4.23Å; L122-I163 HydrophobicContact CD2-CG2 4.17Å; L122-I163 HydrophobicContact CG-CG2 4.4Å; L122-I163 CarbonylContact O-C 3.59Å; L122-I163 WeakPolarHBondContact O-CA 3.2Å; L122-W164 PolarHBondContact O-N 3.06Å; L122-F308 WeakPolarHBondContact O-CZ 3.37Å
123	F	98.9	Very high	97	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	165.4	-166.7	-76.5	0	0	0	109.9	I68 G69 M70 L71 Y89 V93 P125 W164 M305 F308	I68-F123 HydrophobicContact CG2-CB 3.97Å; G69-F123 PolarHBondContact O-N 3.19Å; M70-F123 WeakPolarHBondContact CA-O 3.08Å; M70-F123 HydrophobicContact CE-CB 4.14Å; M70-F123 HydrophobicContact CE-CD1 3.92Å; M70-F123 HydrophobicContact CE-CG 3.94Å; M70-F123 HydrophobicContact CG-CB 4.21Å; M70-F123 HydrophobicContact CG-CD1 4.01Å; M70-F123 HydrophobicContact CG-CG 4.46Å; M70-F123 HydrophobicContact SD-CD1 4.32Å; L71-F123 PolarHBondContact N-O 3.43Å; Y89-F123 AromaticContact CD1-CE1 3.44Å; Y89-F123 HydrophobicContact CD1-CE1 3.44Å; Y89-F123 VanDerWaalsContact CD1-CE1 3.44Å; Y89-F123 AromaticContact CD1-CZ 3.64Å; Y89-F123 HydrophobicContact CD1-CZ 3.64Å; Y89-F123 HydrophobicContact CE1-CE1 4.02Å; Y89-F123 HydrophobicContact CE1-CZ 4.21Å; Y89-F123 AromaticContact CG-CE1 3.98Å; Y89-F123 HydrophobicContact CG-CE1 3.98Å; Y89-F123 HydrophobicContact CG-CZ 4.5Å; V93-F123 HydrophobicContact CG2-CD2 3.89Å; V93-F123 HydrophobicContact CG2-CE2 4.14Å; V93-F123 HydrophobicContact CG2-CG 4.44Å; F123-P125 HydrophobicContact CD1-CB 4.36Å; F123-P125 HydrophobicContact CE1-CB 4.09Å; F123-W164 HydrophobicContact CD2-CB 3.97Å; F123-W164 AromaticContact CD2-CD1 3.6Å; F123-W164 AromaticContact CD2-CG 3.93Å; F123-W164 HydrophobicContact CD2-CG 3.93Å; F123-W164 HydrophobicContact CE2-CB 4.38Å; F123-W164 AromaticContact CE2-CD1 3.17Å; F123-W164 AromaticContact CE2-CG 3.83Å; F123-W164 HydrophobicContact CE2-CG 3.83Å; F123-W164 AromaticContact CE2-NE1 3.62Å; F123-W164 AromaticContact CZ-CD1 3.6Å; F123-W164 AromaticContact CZ-NE1 3.89Å; F123-M305 HydrophobicContact CE2-CE 4.05Å; F123-M305 HydrophobicContact CE2-SD 3.87Å; F123-F308 HydrophobicContact CB-CE1 4.27Å; F123-F308 HydrophobicContact CD2-CD1 4.13Å; F123-F308 AromaticContact CD2-CE1 3.86Å; F123-F308 HydrophobicContact CD2-CE1 3.86Å
124	I	98.9	Very high	96.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	108.4	174.9	-47	175.6	0	0	0	108	L71 L122 A142 I163 W164 G165 T166 G169 I172 L173	L71-I124 HydrophobicContact CD2-CG2 4.22Å; L122-I124 HydrophobicContact CD2-CD1 3.89Å; L122-I124 HydrophobicContact CD2-CG1 3.73Å; L122-I124 HydrophobicContact CG-CG1 3.83Å; I124-A142 HydrophobicContact CD1-CB 3.84Å; I124-I163 HydrophobicContact CD1-CG2 4.17Å; I124-I163 HydrophobicContact CG1-CG2 4.49Å; I124-W164 PolarHBondContact N-O 3.3Å; I124-G165 WeakPolarHBondContact O-CA 3.11Å; I124-T166 PolarHBondContact O-N 2.82Å; I124-G169 VanDerWaalsContact CG2-CA 3.44Å; I124-I172 HydrophobicContact CD1-CG2 4.27Å; I124-I172 HydrophobicContact CG2-CD1 4.01Å; I124-L173 HydrophobicContact CD1-CD2 4.04Å; I124-L173 HydrophobicContact CD1-CG 4.23Å
125	P	98.5	Very high	96.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.15	C	C	.	.			trans	-76.2	170.5	-175.2	33.3	-36.4	0	0	0	112.4	L71 V73 L85 Y89 F123 T166 G169	L71-P125 WeakPolarHBondContact O-CD 3.36Å; L71-P125 WeakPolarHBondContact O-CG 3.41Å; V73-P125 HydrophobicContact CG1-CG 3.81Å; L85-P125 HydrophobicContact CD1-CB 4.34Å; L85-P125 HydrophobicContact CD1-CG 3.87Å; Y89-P125 HydrophobicContact CD1-CB 4.22Å; Y89-P125 HydrophobicContact CD2-CB 3.5Å; Y89-P125 VanDerWaalsContact CD2-CB 3.5Å; Y89-P125 HydrophobicContact CE1-CB 4.17Å; Y89-P125 HydrophobicContact CE2-CB 3.44Å; Y89-P125 VanDerWaalsContact CE2-CB 3.44Å; Y89-P125 HydrophobicContact CG-CB 3.9Å; F123-P125 HydrophobicContact CD1-CB 4.36Å; F123-P125 HydrophobicContact CE1-CB 4.09Å; P125-T166 CarbonylContact C-O 3.55Å; P125-T166 VanDerWaalsContact C-O 3.28Å; P125-G169 PolarHBondContact O-N 3.22Å
126	G	97.8	Very high	96.8	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	18%	0.18	C	C	.	.			trans	-71.1	162.3	165	0	0	0	0	0	112.3	Y89 T166	Y89-G126 VanDerWaalsContact CZ-N 3.35Å; Y89-G126 WeakPolarHBondContact OH-CA 3.46Å; Y89-G126 PolarHBondContact OH-N 2.87Å; G126-T166 WeakPolarHBondContact CA-O 3.33Å; G126-T166 PolarHBondContact N-O 2.84Å
127	G	95.5	Very high	96.7	Very high	29 Å²	29	30.8 Å²	30.8	30%	0.299	18%	0.184	S	C	.	.			trans	-179.1	176.1	-179.4	0	0	0	0	0	112	L168	G127-L168 VanDerWaalsContact N-CB 3.35Å
128	P	93.8	Very high	96.8	Very high	33 Å²	33	27.7 Å²	27.7	21%	0.214	16%	0.162	C	C	.	.	S	Bend	trans	-76	165	179.4	32.9	-36.7	0	0	0	112.2	H74 D76 Q135	H74-P128 WeakPolarHBondContact O-CD 3.21Å; H74-P128 WeakPolarHBondContact O-CG 3.35Å; D76-P128 WeakPolarHBondContact OD1-CB 3.49Å; D76-P128 WeakPolarHBondContact OD1-CG 3.32Å; P128-Q135 WeakPolarHBondContact O-CG 3.5Å; P128-Q135 PolarHBondContact O-NE2 3.32Å
129	G	93.1	Very high	96.9	Very high	37 Å²	37	26.7 Å²	26.7	38%	0.381	16%	0.159	S	C	.	.	S	Bend	trans	82.1	-161.8	172.3	0	0	0	0	0	114.7
130	K	94.9	Very high	96.9	Very high	35 Å²	35	31 Å²	31	15%	0.152	18%	0.178	C	C	.	.			trans	-126.6	150.9	-179.5	-65.4	-170.9	101	-161.9	0	110.7	T132 G133 Q135 D181 L183 Y230	K130-T132 PolarHBondContact O-N 3.47Å; K130-G133 PolarHBondContact O-N 2.87Å; K130-G133 VanDerWaalsContact O-N 3.14Å; K130-Q135 WeakPolarHBondContact O-CB 3.5Å; K130-Q135 PolarHBondContact O-N 3.48Å; K130-Q135 VanDerWaalsContact O-N 3.12Å; K130-D181 IonicContact NZ-OD1 2.78Å; K130-D181 PolarHBondContact NZ-OD1 3.03Å; K130-D181 IonicContact NZ-OD2 3.62Å; K130-D181 PolarHBondContact NZ-OD2 2.83Å; K130-L183 PolarHBondContact NZ-O 2.85Å; K130-Y230 HydrophobicContact CD-CD1 4.06Å; K130-Y230 HydrophobicContact CD-CD2 4.25Å; K130-Y230 HydrophobicContact CD-CE1 3.62Å; K130-Y230 HydrophobicContact CD-CE2 3.88Å; K130-Y230 HydrophobicContact CD-CG 4.33Å; K130-Y230 HydrophobicContact CG-CD1 4.42Å; K130-Y230 HydrophobicContact CG-CD2 3.76Å; K130-Y230 HydrophobicContact CG-CE1 4.21Å; K130-Y230 HydrophobicContact CG-CE2 3.54Å; K130-Y230 HydrophobicContact CG-CG 4.19Å
131	P	97.9	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-49.2	176.6	-27.8	34.9	0	0	0	113.9	G133 Q135 K136 T139 L168 Q171 I172 T175 L183	P131-G133 VanDerWaalsContact C-N 3.27Å; P131-G133 PolarHBondContact O-N 2.91Å; P131-Q135 CarbonylContact O-C 3.6Å; P131-Q135 VanDerWaalsContact O-C 3.23Å; P131-K136 VanDerWaalsContact O-CA 3.26Å; P131-K136 WeakPolarHBondContact O-CA 3.44Å; P131-K136 PolarHBondContact O-N 3.47Å; P131-T139 WeakPolarHBondContact CA-OG1 2.75Å; P131-T139 HydrophobicContact CB-CG2 4.13Å; P131-T139 WeakPolarHBondContact CB-OG1 3.34Å; P131-T139 PolarHBondContact O-OG1 3.18Å; P131-L168 HydrophobicContact CG-CD1 4.34Å; P131-Q171 HydrophobicContact CG-CB 3.82Å; P131-I172 HydrophobicContact CB-CG1 4.01Å; P131-I172 HydrophobicContact CG-CG1 3.9Å; P131-T175 HydrophobicContact CB-CG2 4.07Å; P131-L183 HydrophobicContact CG-CD1 3.92Å
132	T	95.9	Very high	97	Very high	70 Å²	70	31.1 Å²	31.1	43%	0.429	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.3	-176.9	52.8	0	0	0	0	114.5	K130 T175 D181	K130-T132 PolarHBondContact O-N 3.47Å; T132-T175 HydrophobicContact CG2-CG2 3.87Å; T132-D181 HydrophobicContact CG2-CB 3.99Å; T132-D181 PolarHBondContact OG1-OD2 3.14Å
133	G	95	Very high	96.9	Very high	37 Å²	37	32.9 Å²	32.9	38%	0.381	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-112.5	-175.5	0	0	0	0	0	111.9	K130 P131 Q135 K136	K130-G133 PolarHBondContact O-N 2.87Å; K130-G133 VanDerWaalsContact O-N 3.14Å; P131-G133 VanDerWaalsContact C-N 3.27Å; P131-G133 PolarHBondContact O-N 2.91Å; G133-Q135 PolarHBondContact O-N 2.86Å; G133-Q135 VanDerWaalsContact O-N 3.15Å; G133-K136 WeakPolarHBondContact O-CB 3.3Å; G133-K136 PolarHBondContact O-N 3.41Å; G133-K136 VanDerWaalsContact O-N 3.12Å
134	H	93.9	Very high	96.9	Very high	106 Å²	106	36.2 Å²	36.2	49%	0.491	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.7	-178.2	-173.8	55.6	0	0	0	113.1	H74	H74-H134 VanDerWaalsContact CB-NE2 3.26Å; H74-H134 WeakPolarHBondContact CB-NE2 3.38Å; H74-H134 PolarHBondContact CD2-O 2.82Å
135	Q	97	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	23	-178.4	-57.1	-68.7	-3.2	0	0	113	H74 P128 K130 P131 G133 E137 V138 T139 L168	H74-Q135 VanDerWaalsContact N-OE1 3.11Å; H74-Q135 PolarHBondContact O-NE2 3.48Å; P128-Q135 WeakPolarHBondContact O-CG 3.5Å; P128-Q135 PolarHBondContact O-NE2 3.32Å; K130-Q135 WeakPolarHBondContact O-CB 3.5Å; K130-Q135 PolarHBondContact O-N 3.48Å; K130-Q135 VanDerWaalsContact O-N 3.12Å; P131-Q135 CarbonylContact O-C 3.6Å; P131-Q135 VanDerWaalsContact O-C 3.23Å; G133-Q135 PolarHBondContact O-N 2.86Å; G133-Q135 VanDerWaalsContact O-N 3.15Å; Q135-E137 PolarHBondContact O-N 3.35Å; Q135-V138 HydrophobicContact CB-CB 4.33Å; Q135-V138 WeakPolarHBondContact O-CB 3.43Å; Q135-V138 PolarHBondContact O-N 2.9Å; Q135-T139 WeakPolarHBondContact O-CB 3.19Å; Q135-T139 PolarHBondContact O-N 3.02Å; Q135-T139 PolarHBondContact O-OG1 3.4Å; Q135-L168 HydrophobicContact CB-CD1 4.33Å; Q135-L168 HydrophobicContact CB-CD2 4.45Å; Q135-L168 HydrophobicContact CG-CD1 3.95Å; Q135-L168 HydrophobicContact CG-CD2 3.7Å; Q135-L168 HydrophobicContact CG-CG 4.46Å
136	K	97.1	Very high	96.9	Very high	146 Å²	146	37 Å²	37	64%	0.635	21%	0.207	S	C	*	.	H	α-helix	trans	-59.2	-41.1	-176	66.1	179	-176.5	176.1	0	113.8	P131 G133 T139 K140	P131-K136 VanDerWaalsContact O-CA 3.26Å; P131-K136 WeakPolarHBondContact O-CA 3.44Å; P131-K136 PolarHBondContact O-N 3.47Å; G133-K136 WeakPolarHBondContact O-CB 3.3Å; G133-K136 PolarHBondContact O-N 3.41Å; G133-K136 VanDerWaalsContact O-N 3.12Å; K136-T139 PolarHBondContact O-N 2.82Å; K136-K140 WeakPolarHBondContact O-CB 3.17Å; K136-K140 PolarHBondContact O-N 2.89Å
137	E	96.6	Very high	97	Very high	46 Å²	46	42.8 Å²	42.8	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-75.4	-35.7	-178	-164.5	60.9	-143.6	0	0	111.1	P105 Q135 K140 T141	P105-E137 HydrophobicContact CB-CG 4.26Å; Q135-E137 PolarHBondContact O-N 3.35Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE1-NZ 3.53Å; E137-K140 PolarHBondContact OE1-NZ 2.99Å; E137-K140 IonicContact OE2-NZ 2.82Å; E137-T141 WeakPolarHBondContact O-CB 3.41Å; E137-T141 PolarHBondContact O-N 3.31Å; E137-T141 PolarHBondContact O-OG1 3.17Å
138	V	98.1	Very high	97.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-47.7	170.1	179.8	0	0	0	0	110.3	L71 V73 Y83 P105 Q135 K140 T141 A142 I172	L71-V138 HydrophobicContact CD2-CG1 3.48Å; L71-V138 VanDerWaalsContact CD2-CG1 3.48Å; L71-V138 HydrophobicContact CG-CG1 4.05Å; V73-V138 HydrophobicContact CB-CG1 4.49Å; V73-V138 HydrophobicContact CB-CG2 4.49Å; V73-V138 HydrophobicContact CG1-CG1 3.91Å; Y83-V138 HydrophobicContact CE1-CG2 4.27Å; P105-V138 HydrophobicContact CB-CG2 4.35Å; P105-V138 HydrophobicContact CG-CG2 3.79Å; Q135-V138 HydrophobicContact CB-CB 4.33Å; Q135-V138 WeakPolarHBondContact O-CB 3.43Å; Q135-V138 PolarHBondContact O-N 2.9Å; V138-K140 PolarHBondContact O-N 3.34Å; V138-T141 PolarHBondContact O-N 3.02Å; V138-A142 WeakPolarHBondContact O-CB 3.37Å; V138-A142 PolarHBondContact O-N 3.44Å; V138-I172 HydrophobicContact CG1-CD1 3.81Å
139	T	98.6	Very high	97.3	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-43.3	179	-56.5	0	0	0	0	111.3	P131 Q135 K136 A142 S143 I172 I176	P131-T139 WeakPolarHBondContact CA-OG1 2.75Å; P131-T139 HydrophobicContact CB-CG2 4.13Å; P131-T139 WeakPolarHBondContact CB-OG1 3.34Å; P131-T139 PolarHBondContact O-OG1 3.18Å; Q135-T139 WeakPolarHBondContact O-CB 3.19Å; Q135-T139 PolarHBondContact O-N 3.02Å; Q135-T139 PolarHBondContact O-OG1 3.4Å; K136-T139 PolarHBondContact O-N 2.82Å; T139-A142 PolarHBondContact O-N 2.62Å; T139-S143 PolarHBondContact O-N 3.28Å; T139-I172 HydrophobicContact CG2-CG2 4.36Å; T139-I176 HydrophobicContact CG2-CD1 4.45Å; T139-I176 HydrophobicContact CG2-CG1 4.09Å
140	K	98.3	Very high	97.5	Very high	91 Å²	91	41.6 Å²	41.6	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-45.2	174.1	176.1	177.7	156.8	-136.6	0	111.6	K136 E137 V138 S143 Y144	K136-K140 WeakPolarHBondContact O-CB 3.17Å; K136-K140 PolarHBondContact O-N 2.89Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE1-NZ 3.53Å; E137-K140 PolarHBondContact OE1-NZ 2.99Å; E137-K140 IonicContact OE2-NZ 2.82Å; V138-K140 PolarHBondContact O-N 3.34Å; K140-S143 WeakPolarHBondContact O-CB 3.48Å; K140-S143 PolarHBondContact O-N 3.17Å; K140-S143 VanDerWaalsContact O-N 3.17Å; K140-S143 PolarHBondContact O-OG 3.45Å; K140-Y144 WeakPolarHBondContact CE-OH 3.42Å; K140-Y144 HydrophobicContact CG-CE2 4.25Å; K140-Y144 PolarHBondContact O-N 2.9Å
141	T	98.5	Very high	97.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-48.1	177.2	-57.1	0	0	0	0	111.2	L71 I103 Y112 E137 V138 S143 Y144 F145	L71-T141 HydrophobicContact CD1-CG2 3.65Å; I103-T141 HydrophobicContact CG2-CG2 4.29Å; Y112-T141 HydrophobicContact CD1-CG2 4.14Å; Y112-T141 HydrophobicContact CE1-CG2 3.47Å; Y112-T141 VanDerWaalsContact CE1-CG2 3.47Å; Y112-T141 HydrophobicContact CE2-CG2 4.13Å; Y112-T141 VanDerWaalsContact CZ-CG2 3.47Å; Y112-T141 PolarHBondContact OH-OG1 2.9Å; E137-T141 WeakPolarHBondContact O-CB 3.41Å; E137-T141 PolarHBondContact O-N 3.31Å; E137-T141 PolarHBondContact O-OG1 3.17Å; V138-T141 PolarHBondContact O-N 3.02Å; T141-S143 PolarHBondContact O-N 2.95Å; T141-Y144 PolarHBondContact O-N 2.97Å; T141-Y144 VanDerWaalsContact O-N 3.17Å; T141-F145 HydrophobicContact CG2-CE2 4.22Å; T141-F145 WeakPolarHBondContact O-CD2 3.26Å
142	A	98.8	Very high	97.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-57.5	-36.5	175	0	0	0	0	0	112.6	L71 I124 V138 T139 Y144 F145 Y146 I172 I176	L71-A142 HydrophobicContact CD2-CB 3.97Å; I124-A142 HydrophobicContact CD1-CB 3.84Å; V138-A142 WeakPolarHBondContact O-CB 3.37Å; V138-A142 PolarHBondContact O-N 3.44Å; T139-A142 PolarHBondContact O-N 2.62Å; A142-Y144 VanDerWaalsContact C-N 3.27Å; A142-Y144 PolarHBondContact O-N 3.46Å; A142-F145 PolarHBondContact O-N 3.22Å; A142-Y146 WeakPolarHBondContact O-CB 3.46Å; A142-Y146 PolarHBondContact O-N 3.44Å; A142-I172 HydrophobicContact CB-CG2 3.65Å; A142-I176 HydrophobicContact CB-CD1 3.91Å
143	S	98.7	Very high	97.2	Very high	39 Å²	39	42.4 Å²	42.4	27%	0.273	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-30	179.5	80.9	0	0	0	0	113.6	T139 K140 T141 K147	T139-S143 PolarHBondContact O-N 3.28Å; K140-S143 WeakPolarHBondContact O-CB 3.48Å; K140-S143 PolarHBondContact O-N 3.17Å; K140-S143 VanDerWaalsContact O-N 3.17Å; K140-S143 PolarHBondContact O-OG 3.45Å; T141-S143 PolarHBondContact O-N 2.95Å; S143-K147 VanDerWaalsContact O-CB 3.3Å; S143-K147 WeakPolarHBondContact O-CB 3.11Å; S143-K147 PolarHBondContact O-N 3.46Å
144	Y	98.7	Very high	97	Very high	71 Å²	71	45.7 Å²	45.7	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-52.9	175.1	-61.7	-43.4	0	0	0	111.4	L109 Y112 K140 T141 A142 Y146 K147 W148	L109-Y144 HydrophobicContact CD1-CD1 3.95Å; L109-Y144 HydrophobicContact CD1-CD2 4.17Å; L109-Y144 HydrophobicContact CD1-CE1 4.05Å; L109-Y144 HydrophobicContact CD1-CE2 4.26Å; L109-Y144 HydrophobicContact CD1-CG 4.02Å; Y112-Y144 AromaticContact CD2-CD2 3.78Å; Y112-Y144 HydrophobicContact CD2-CD2 3.78Å; Y112-Y144 HydrophobicContact CD2-CE2 4.17Å; Y112-Y144 HydrophobicContact CE2-CD2 4.04Å; Y112-Y144 HydrophobicContact CE2-CE2 4.12Å; K140-Y144 WeakPolarHBondContact CE-OH 3.42Å; K140-Y144 HydrophobicContact CG-CE2 4.25Å; K140-Y144 PolarHBondContact O-N 2.9Å; T141-Y144 PolarHBondContact O-N 2.97Å; T141-Y144 VanDerWaalsContact O-N 3.17Å; A142-Y144 VanDerWaalsContact C-N 3.27Å; A142-Y144 PolarHBondContact O-N 3.46Å; Y144-Y146 PolarHBondContact O-N 3.2Å; Y144-K147 PolarHBondContact O-N 2.91Å; Y144-W148 VanDerWaalsContact O-CD2 3.24Å; Y144-W148 VanDerWaalsContact O-CG 3.27Å; Y144-W148 PolarHBondContact O-N 3.43Å
145	F	98.8	Very high	96.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-41.4	178.3	-70	-88.6	0	0	0	111.9	I103 Y112 L115 F116 L122 T141 A142 K147 W148 A149 W161	I103-F145 HydrophobicContact CD1-CE1 4.15Å; I103-F145 HydrophobicContact CD1-CE2 4.27Å; I103-F145 HydrophobicContact CD1-CZ 3.86Å; I103-F145 HydrophobicContact CG2-CE2 4.05Å; I103-F145 HydrophobicContact CG2-CZ 4.19Å; Y112-F145 AromaticContact CD1-CE2 3.72Å; Y112-F145 HydrophobicContact CD1-CE2 3.72Å; Y112-F145 AromaticContact CD1-CZ 3.94Å; Y112-F145 HydrophobicContact CD1-CZ 3.94Å; Y112-F145 HydrophobicContact CE1-CE2 4.47Å; Y112-F145 HydrophobicContact CG-CE2 4.07Å; Y112-F145 HydrophobicContact CG-CZ 4.33Å; L115-F145 HydrophobicContact CB-CE1 4.5Å; L115-F145 HydrophobicContact CB-CZ 4.42Å; F116-F145 HydrophobicContact CB-CD1 4.27Å; F116-F145 HydrophobicContact CB-CE1 4.07Å; F116-F145 AromaticContact CD2-CD1 3.94Å; F116-F145 HydrophobicContact CD2-CD1 3.94Å; L122-F145 HydrophobicContact CD2-CB 3.7Å; L122-F145 HydrophobicContact CD2-CG 4.19Å; T141-F145 HydrophobicContact CG2-CE2 4.22Å; T141-F145 WeakPolarHBondContact O-CD2 3.26Å; A142-F145 PolarHBondContact O-N 3.22Å; F145-K147 PolarHBondContact O-N 2.82Å; F145-W148 PolarHBondContact O-N 2.9Å; F145-A149 VanDerWaalsContact O-CB 3.32Å; F145-A149 WeakPolarHBondContact O-CB 3.49Å; F145-A149 PolarHBondContact O-N 2.78Å; F145-W161 HydrophobicContact CB-CH2 4.33Å; F145-W161 HydrophobicContact CB-CZ3 4.24Å; F145-W161 AromaticContact CD1-CH2 3.55Å; F145-W161 HydrophobicContact CD1-CH2 3.55Å; F145-W161 HydrophobicContact CD1-CZ2 4.17Å; F145-W161 HydrophobicContact CD1-CZ3 4.27Å; F145-W161 HydrophobicContact CE1-CH2 4.32Å; F145-W161 HydrophobicContact CG-CH2 4.34Å
146	Y	98.8	Very high	95.7	Very high	18 Å²	18	47.7 Å²	47.7	7%	0.071	26%	0.255	C	S	.	.	H	α-helix	trans	-56.5	-50.1	175.4	-178.9	-90.7	0	0	0	111.7	A142 Y144 A149 I150 I163 L173 I176 T177 F245 I271	A142-Y146 WeakPolarHBondContact O-CB 3.46Å; A142-Y146 PolarHBondContact O-N 3.44Å; Y144-Y146 PolarHBondContact O-N 3.2Å; Y146-A149 PolarHBondContact O-N 3.41Å; Y146-I150 HydrophobicContact CD1-CD1 3.89Å; Y146-I150 HydrophobicContact CE1-CD1 3.27Å; Y146-I150 HydrophobicContact CE1-CG1 4.47Å; Y146-I150 HydrophobicContact CE2-CD1 4.31Å; Y146-I150 WeakPolarHBondContact O-CG1 3.3Å; Y146-I150 PolarHBondContact O-N 3.43Å; Y146-I163 HydrophobicContact CD2-CD1 4.29Å; Y146-L173 HydrophobicContact CD2-CD2 3.71Å; Y146-L173 HydrophobicContact CE2-CD2 4.11Å; Y146-I176 HydrophobicContact CD1-CG2 3.49Å; Y146-I176 VanDerWaalsContact CD1-CG2 3.49Å; Y146-I176 HydrophobicContact CD2-CG2 4.46Å; Y146-I176 HydrophobicContact CE1-CG2 3.82Å; Y146-I176 HydrophobicContact CG-CG2 3.85Å; Y146-T177 PolarHBondContact OH-OG1 3.33Å; Y146-F245 WeakPolarHBondContact OH-CE1 3.47Å; Y146-F245 VanDerWaalsContact OH-CZ 3.29Å; Y146-F245 WeakPolarHBondContact OH-CZ 3.3Å; Y146-I271 HydrophobicContact CD2-CD1 3.9Å; Y146-I271 HydrophobicContact CE2-CD1 3.52Å; Y146-I271 HydrophobicContact CE2-CG2 4.41Å
147	K	98.3	Very high	94.9	Very high	124 Å²	124	49 Å²	49	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-46.6	178.4	178	173	171.5	175.2	0	111.6	S143 Y144 F145 A149 I150 E151	S143-K147 VanDerWaalsContact O-CB 3.3Å; S143-K147 WeakPolarHBondContact O-CB 3.11Å; S143-K147 PolarHBondContact O-N 3.46Å; Y144-K147 PolarHBondContact O-N 2.91Å; F145-K147 PolarHBondContact O-N 2.82Å; K147-A149 PolarHBondContact O-N 3.48Å; K147-I150 PolarHBondContact O-N 3.03Å; K147-E151 WeakPolarHBondContact CE-OE1 3.45Å; K147-E151 HydrophobicContact CG-CG 4.36Å; K147-E151 IonicContact NZ-OE1 2.83Å; K147-E151 WeakPolarHBondContact O-CB 2.97Å; K147-E151 WeakPolarHBondContact O-CG 3.41Å; K147-E151 PolarHBondContact O-N 2.83Å
148	W	98	Very high	94.2	Very high	33 Å²	33	50 Å²	50	13%	0.125	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-35.8	179.7	-62.9	-32.4	0	0	0	113.1	L109 K113 F116 Y144 F145 I150 E151 A152	L109-W148 HydrophobicContact CD1-CH2 3.81Å; L109-W148 HydrophobicContact CD1-CZ2 3.62Å; L109-W148 HydrophobicContact CG-CH2 4.43Å; L109-W148 HydrophobicContact CG-CZ2 4.18Å; K113-W148 HydrophobicContact CB-CH2 4.31Å; K113-W148 HydrophobicContact CD-CZ2 4.35Å; K113-W148 HydrophobicContact CG-CH2 3.47Å; K113-W148 VanDerWaalsContact CG-CH2 3.47Å; K113-W148 HydrophobicContact CG-CZ2 3.46Å; K113-W148 VanDerWaalsContact CG-CZ2 3.46Å; K113-W148 HydrophobicContact CG-CZ3 4.24Å; F116-W148 HydrophobicContact CB-CE3 3.81Å; F116-W148 HydrophobicContact CB-CZ3 4.11Å; F116-W148 HydrophobicContact CD1-CB 4.15Å; F116-W148 HydrophobicContact CD1-CE3 4.46Å; F116-W148 HydrophobicContact CD2-CB 3.99Å; F116-W148 HydrophobicContact CD2-CE3 4.05Å; F116-W148 HydrophobicContact CE1-CB 3.81Å; F116-W148 HydrophobicContact CE2-CB 3.63Å; F116-W148 HydrophobicContact CG-CB 4.23Å; F116-W148 AromaticContact CG-CE3 3.85Å; F116-W148 HydrophobicContact CG-CE3 3.85Å; F116-W148 HydrophobicContact CZ-CB 3.54Å; Y144-W148 VanDerWaalsContact O-CD2 3.24Å; Y144-W148 VanDerWaalsContact O-CG 3.27Å; Y144-W148 PolarHBondContact O-N 3.43Å; F145-W148 PolarHBondContact O-N 2.9Å; W148-I150 VanDerWaalsContact C-N 3.35Å; W148-E151 PolarHBondContact O-N 2.88Å; W148-A152 WeakPolarHBondContact O-CB 3.48Å; W148-A152 PolarHBondContact O-N 3.05Å
149	A	97.8	Very high	93.7	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-44.7	174.8	0	0	0	0	0	111.2	F116 F145 Y146 K147 F153 W161 I163	F116-A149 HydrophobicContact CE2-CB 4.47Å; F145-A149 VanDerWaalsContact O-CB 3.32Å; F145-A149 WeakPolarHBondContact O-CB 3.49Å; F145-A149 PolarHBondContact O-N 2.78Å; Y146-A149 PolarHBondContact O-N 3.41Å; K147-A149 PolarHBondContact O-N 3.48Å; A149-F153 WeakPolarHBondContact O-CB 3.27Å; A149-F153 PolarHBondContact O-N 2.83Å; A149-W161 HydrophobicContact CB-CB 4.31Å; A149-W161 HydrophobicContact CB-CE3 3.87Å; A149-I163 HydrophobicContact CB-CD1 3.82Å; A149-I163 HydrophobicContact CB-CG1 4.31Å
150	I	97	Very high	93.5	Very high	36 Å²	36	52.5 Å²	52.5	19%	0.185	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-46.3	175.2	-68.9	176.9	0	0	0	111.4	Y146 K147 W148 F153 N154 F245 I271	Y146-I150 HydrophobicContact CD1-CD1 3.89Å; Y146-I150 HydrophobicContact CE1-CD1 3.27Å; Y146-I150 HydrophobicContact CE1-CG1 4.47Å; Y146-I150 HydrophobicContact CE2-CD1 4.31Å; Y146-I150 WeakPolarHBondContact O-CG1 3.3Å; Y146-I150 PolarHBondContact O-N 3.43Å; K147-I150 PolarHBondContact O-N 3.03Å; W148-I150 VanDerWaalsContact C-N 3.35Å; I150-F153 PolarHBondContact O-N 3.38Å; I150-N154 WeakPolarHBondContact CG2-ND2 3.42Å; I150-N154 PolarHBondContact O-N 2.72Å; I150-N154 PolarHBondContact O-ND2 2.72Å; I150-F245 HydrophobicContact CD1-CE2 4.06Å; I150-F245 HydrophobicContact CD1-CZ 3.85Å; I150-F245 HydrophobicContact CG1-CZ 4.42Å; I150-I271 HydrophobicContact CG1-CD1 4.31Å
151	E	96.4	Very high	93.4	Very high	94 Å²	94	48.2 Å²	48.2	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-62.7	-43.7	179.6	-74.4	174	169.1	0	0	111.9	K147 W148 F153 N154 C155	K147-E151 WeakPolarHBondContact CE-OE1 3.45Å; K147-E151 HydrophobicContact CG-CG 4.36Å; K147-E151 IonicContact NZ-OE1 2.83Å; K147-E151 WeakPolarHBondContact O-CB 2.97Å; K147-E151 WeakPolarHBondContact O-CG 3.41Å; K147-E151 PolarHBondContact O-N 2.83Å; W148-E151 PolarHBondContact O-N 2.88Å; E151-F153 VanDerWaalsContact C-N 3.28Å; E151-F153 PolarHBondContact O-N 3.07Å; E151-N154 PolarHBondContact O-N 2.71Å; E151-C155 PolarHBondContact O-N 3.33Å
152	A	93.1	Very high	93.4	Very high	17 Å²	17	48.2 Å²	48.2	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-33.1	179	0	0	0	0	0	111.6	F116 W148 C155 P158 K159	F116-A152 HydrophobicContact CE1-CB 4.43Å; F116-A152 HydrophobicContact CZ-CB 4.15Å; W148-A152 WeakPolarHBondContact O-CB 3.48Å; W148-A152 PolarHBondContact O-N 3.05Å; A152-C155 PolarHBondContact O-SG 3.32Å; A152-P158 WeakPolarHBondContact O-CA 2.99Å; A152-K159 HydrophobicContact CB-CB 4.01Å; A152-K159 PolarHBondContact O-N 2.97Å
153	F	93.4	Very high	93.4	Very high	11 Å²	11	48.2 Å²	48.2	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-71.5	-33.1	175.2	-164.1	-99	0	0	0	113.4	I54 F59 A149 I150 E151 P158 Y160 D268 H269	I54-F153 HydrophobicContact CD1-CE1 3.22Å; I54-F153 HydrophobicContact CD1-CE2 4.28Å; I54-F153 HydrophobicContact CD1-CZ 3.09Å; I54-F153 HydrophobicContact CG1-CZ 4.44Å; I54-F153 HydrophobicContact CG2-CZ 4.48Å; F59-F153 AromaticContact CE2-CE2 3.85Å; F59-F153 HydrophobicContact CE2-CE2 3.85Å; F59-F153 HydrophobicContact CE2-CZ 4.22Å; F59-F153 HydrophobicContact CZ-CD2 4.39Å; F59-F153 AromaticContact CZ-CE2 3.8Å; F59-F153 HydrophobicContact CZ-CE2 3.8Å; F59-F153 HydrophobicContact CZ-CZ 4.41Å; A149-F153 WeakPolarHBondContact O-CB 3.27Å; A149-F153 PolarHBondContact O-N 2.83Å; I150-F153 PolarHBondContact O-N 3.38Å; E151-F153 VanDerWaalsContact C-N 3.28Å; E151-F153 PolarHBondContact O-N 3.07Å; F153-P158 WeakPolarHBondContact O-CB 3.17Å; F153-Y160 AromaticContact CE2-CD2 3.93Å; F153-Y160 HydrophobicContact CE2-CD2 3.93Å; F153-Y160 HydrophobicContact CE2-CE2 4.26Å; F153-D268 WeakPolarHBondContact CE1-O 3.3Å; F153-D268 WeakPolarHBondContact CZ-O 3.25Å; F153-H269 AromaticContact CD1-CD2 3.6Å; F153-H269 AromaticContact CD1-NE2 3.94Å; F153-H269 AromaticContact CG-CD2 3.92Å
154	N	91.5	Very high	93.4	Very high	106 Å²	106	46.4 Å²	46.4	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	5.5	-175.8	-68.4	-56.4	0	0	0	114	I150 E151 H269	I150-N154 WeakPolarHBondContact CG2-ND2 3.42Å; I150-N154 PolarHBondContact O-N 2.72Å; I150-N154 PolarHBondContact O-ND2 2.72Å; E151-N154 PolarHBondContact O-N 2.71Å; N154-H269 PolarHBondContact ND2-NE2 3.09Å
155	C	86.4	Confident	93.4	Very high	62 Å²	62	43 Å²	43	42%	0.419	24%	0.238	S	C	.	.	S	Bend	trans	-82.7	170	178.3	79.6	0	0	0	0	112.3	E151 A152 Q157	E151-C155 PolarHBondContact O-N 3.33Å; A152-C155 PolarHBondContact O-SG 3.32Å; C155-Q157 PolarHBondContact O-N 3.22Å; C155-Q157 VanDerWaalsContact O-N 3.12Å; C155-Q157 VanDerWaalsContact SG-C 3.57Å; C155-Q157 PolarHBondContact SG-O 3.45Å
156	G	77	Confident	93.4	Very high	85 Å²	85	43.2 Å²	43.2	88%	0.876	24%	0.24	S	C	*	.	S	Bend	trans	-64.3	-16.1	-176.7	0	0	0	0	0	115.2
157	Q	80.3	Confident	93.4	Very high	173 Å²	173	42.5 Å²	42.5	81%	0.808	24%	0.237	S	C	*	.	S	Bend	trans	-126.2	84.3	167.9	-71.4	-163.4	-24.4	0	0	108.3	C155 K159	C155-Q157 PolarHBondContact O-N 3.22Å; C155-Q157 VanDerWaalsContact O-N 3.12Å; C155-Q157 VanDerWaalsContact SG-C 3.57Å; C155-Q157 PolarHBondContact SG-O 3.45Å; Q157-K159 PolarHBondContact O-N 2.85Å
158	P	81	Confident	93.4	Very high	67 Å²	67	36.6 Å²	36.6	44%	0.435	21%	0.211	S	C	.	.			trans	-61.9	134.5	-167.8	27.3	-36.5	0	0	0	110.8	F59 A152 F153	F59-P158 HydrophobicContact CE1-CB 4.43Å; F59-P158 HydrophobicContact CE1-CG 4.45Å; F59-P158 HydrophobicContact CZ-CB 4.15Å; F59-P158 HydrophobicContact CZ-CG 4.26Å; A152-P158 WeakPolarHBondContact O-CA 2.99Å; F153-P158 WeakPolarHBondContact O-CB 3.17Å
159	K	88.6	Confident	93.4	Very high	60 Å²	60	35 Å²	35	26%	0.261	21%	0.206	S	C	.	.			trans	-109.3	125.6	177	-167.3	173.8	-167.2	153.1	0	110.5	A152 Q157 W161 N315 D316 N317	A152-K159 HydrophobicContact CB-CB 4.01Å; A152-K159 PolarHBondContact O-N 2.97Å; Q157-K159 PolarHBondContact O-N 2.85Å; K159-W161 PolarHBondContact O-N 2.82Å; K159-N315 HydrophobicContact CG-CB 4.38Å; K159-D316 IonicContact NZ-OD1 3.93Å; K159-N317 WeakPolarHBondContact CE-OD1 3.46Å; K159-N317 PolarHBondContact NZ-OD1 3.3Å
160	Y	93.8	Very high	93.5	Very high	10 Å²	10	34.8 Å²	34.8	4%	0.039	20%	0.204	C	C	.	.			trans	-79	101.8	178	-155.5	-92.1	0	0	0	111.1	F59 F153 P162 P270 E311 R314 N315	F59-Y160 HydrophobicContact CB-CD2 3.86Å; F59-Y160 HydrophobicContact CB-CE2 4.35Å; F59-Y160 HydrophobicContact CB-CG 4.21Å; F59-Y160 AromaticContact CD1-CD2 3.74Å; F59-Y160 HydrophobicContact CD1-CD2 3.74Å; F59-Y160 HydrophobicContact CD1-CG 4.06Å; F59-Y160 AromaticContact CD2-CD2 3.33Å; F59-Y160 HydrophobicContact CD2-CD2 3.33Å; F59-Y160 AromaticContact CD2-CE2 3.7Å; F59-Y160 HydrophobicContact CD2-CE2 3.7Å; F59-Y160 HydrophobicContact CD2-CG 4.36Å; F59-Y160 HydrophobicContact CE1-CD2 4.04Å; F59-Y160 AromaticContact CE2-CD2 3.66Å; F59-Y160 HydrophobicContact CE2-CD2 3.66Å; F59-Y160 HydrophobicContact CE2-CE2 4.15Å; F59-Y160 AromaticContact CG-CD2 3.34Å; F59-Y160 HydrophobicContact CG-CD2 3.34Å; F59-Y160 HydrophobicContact CG-CE2 4.04Å; F59-Y160 AromaticContact CG-CG 3.95Å; F59-Y160 HydrophobicContact CG-CG 3.95Å; F59-Y160 AromaticContact CZ-CD2 3.99Å; F59-Y160 HydrophobicContact CZ-CD2 3.99Å; F153-Y160 AromaticContact CE2-CD2 3.93Å; F153-Y160 HydrophobicContact CE2-CD2 3.93Å; F153-Y160 HydrophobicContact CE2-CE2 4.26Å; Y160-P162 HydrophobicContact CD1-CG 3.78Å; Y160-P162 HydrophobicContact CE1-CG 3.79Å; Y160-P270 HydrophobicContact CD1-CB 4.08Å; Y160-P270 HydrophobicContact CD1-CG 4.15Å; Y160-P270 HydrophobicContact CD2-CG 4.38Å; Y160-P270 HydrophobicContact CE1-CB 3.42Å; Y160-P270 VanDerWaalsContact CE1-CB 3.42Å; Y160-P270 HydrophobicContact CE1-CG 3.99Å; Y160-P270 HydrophobicContact CE2-CB 4.02Å; Y160-P270 HydrophobicContact CE2-CG 4.25Å; Y160-P270 HydrophobicContact CG-CG 4.36Å; Y160-P270 VanDerWaalsContact CZ-CB 3.41Å; Y160-P270 WeakPolarHBondContact OH-CB 3.44Å; Y160-E311 HydrophobicContact CE1-CB 4.13Å; Y160-E311 PolarHBondContact OH-OE2 3.46Å; Y160-R314 HydrophobicContact CD1-CB 3.66Å; Y160-R314 HydrophobicContact CD1-CG 4.39Å; Y160-R314 HydrophobicContact CE1-CB 4.27Å; Y160-R314 HydrophobicContact CG-CB 4.02Å; Y160-N315 VanDerWaalsContact O-CB 3.25Å; Y160-N315 WeakPolarHBondContact O-CB 3.28Å; Y160-N315 PolarHBondContact O-ND2 3.18Å
161	W	96.6	Very high	93.5	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	20%	0.196	C	C	.	.			trans	-123.9	94.2	-177	-153.8	91.2	0	0	0	111.6	F116 L119 G121 L122 F145 A149 K159 I163 N317	F116-W161 AromaticContact CD2-CD2 3.99Å; F116-W161 HydrophobicContact CD2-CD2 3.99Å; F116-W161 AromaticContact CD2-CE2 3.67Å; F116-W161 HydrophobicContact CD2-CE3 4.34Å; F116-W161 HydrophobicContact CD2-CH2 4.03Å; F116-W161 AromaticContact CD2-CZ2 3.72Å; F116-W161 HydrophobicContact CD2-CZ2 3.72Å; F116-W161 HydrophobicContact CD2-CZ3 4.33Å; F116-W161 HydrophobicContact CE2-CB 4.45Å; F116-W161 AromaticContact CE2-CD2 3.48Å; F116-W161 HydrophobicContact CE2-CD2 3.48Å; F116-W161 VanDerWaalsContact CE2-CD2 3.48Å; F116-W161 AromaticContact CE2-CE2 3.65Å; F116-W161 AromaticContact CE2-CE3 3.82Å; F116-W161 HydrophobicContact CE2-CE3 3.82Å; F116-W161 AromaticContact CE2-CG 3.77Å; F116-W161 HydrophobicContact CE2-CG 3.77Å; F116-W161 HydrophobicContact CE2-CH2 4.34Å; F116-W161 HydrophobicContact CE2-CZ2 4.11Å; F116-W161 HydrophobicContact CE2-CZ3 4.21Å; F116-W161 HydrophobicContact CZ-CB 4.46Å; F116-W161 HydrophobicContact CZ-CD2 4.27Å; F116-W161 HydrophobicContact CZ-CG 4.08Å; F116-W161 PolarHBondContact O-NE1 2.83Å; L119-W161 HydrophobicContact CB-CZ2 4.21Å; L119-W161 PolarHBondContact O-NE1 2.89Å; G121-W161 VanDerWaalsContact C-CH2 3.48Å; L122-W161 HydrophobicContact CB-CH2 3.51Å; L122-W161 HydrophobicContact CB-CZ3 3.43Å; L122-W161 VanDerWaalsContact CB-CZ3 3.43Å; F145-W161 HydrophobicContact CB-CH2 4.33Å; F145-W161 HydrophobicContact CB-CZ3 4.24Å; F145-W161 AromaticContact CD1-CH2 3.55Å; F145-W161 HydrophobicContact CD1-CH2 3.55Å; F145-W161 HydrophobicContact CD1-CZ2 4.17Å; F145-W161 HydrophobicContact CD1-CZ3 4.27Å; F145-W161 HydrophobicContact CE1-CH2 4.32Å; F145-W161 HydrophobicContact CG-CH2 4.34Å; A149-W161 HydrophobicContact CB-CB 4.31Å; A149-W161 HydrophobicContact CB-CE3 3.87Å; K159-W161 PolarHBondContact O-N 2.82Å; W161-I163 HydrophobicContact CE3-CD1 4.46Å; W161-I163 HydrophobicContact CE3-CG1 3.97Å; W161-I163 HydrophobicContact CZ3-CD1 4.27Å; W161-I163 HydrophobicContact CZ3-CG1 3.87Å; W161-N317 PolarHBondContact NE1-ND2 3.12Å
162	P	98.2	Very high	93.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.175	C	C	.	.			trans	-72.3	148.5	-171	-20.8	34	0	0	0	114.7	N120 G121 L122 Y160 P270 F308 E311	N120-P162 WeakPolarHBondContact O-CD 3.32Å; G121-P162 CarbonylContact C-O 3.54Å; G121-P162 WeakPolarHBondContact CA-O 3.32Å; L122-P162 PolarHBondContact N-O 3.26Å; Y160-P162 HydrophobicContact CD1-CG 3.78Å; Y160-P162 HydrophobicContact CE1-CG 3.79Å; P162-P270 CarbonylContact C-O 3.52Å; P162-P270 WeakPolarHBondContact CA-O 3.42Å; P162-P270 HydrophobicContact CB-CB 4.09Å; P162-P270 HydrophobicContact CG-CB 4.15Å; P162-P270 HydrophobicContact CG-CG 4.49Å; P162-F308 HydrophobicContact CB-CD2 4.36Å; P162-F308 HydrophobicContact CB-CE2 3.72Å; P162-E311 HydrophobicContact CB-CB 4.11Å; P162-E311 VanDerWaalsContact CG-C 3.46Å; P162-E311 HydrophobicContact CG-CB 3.73Å; P162-E311 WeakPolarHBondContact CG-O 3.48Å
163	I	98.9	Very high	93.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133	172	-54	-176.8	0	0	0	109.6	L122 I124 Y146 A149 W161 L173 P270 I271 F272	L122-I163 HydrophobicContact CB-CG1 4.24Å; L122-I163 HydrophobicContact CB-CG2 4.23Å; L122-I163 HydrophobicContact CD2-CG2 4.17Å; L122-I163 HydrophobicContact CG-CG2 4.4Å; L122-I163 CarbonylContact O-C 3.59Å; L122-I163 WeakPolarHBondContact O-CA 3.2Å; I124-I163 HydrophobicContact CD1-CG2 4.17Å; I124-I163 HydrophobicContact CG1-CG2 4.49Å; Y146-I163 HydrophobicContact CD2-CD1 4.29Å; A149-I163 HydrophobicContact CB-CD1 3.82Å; A149-I163 HydrophobicContact CB-CG1 4.31Å; W161-I163 HydrophobicContact CE3-CD1 4.46Å; W161-I163 HydrophobicContact CE3-CG1 3.97Å; W161-I163 HydrophobicContact CZ3-CD1 4.27Å; W161-I163 HydrophobicContact CZ3-CG1 3.87Å; I163-L173 HydrophobicContact CG2-CD1 4.32Å; I163-L173 HydrophobicContact CG2-CD2 3.98Å; I163-P270 PolarHBondContact N-O 2.92Å; I163-I271 HydrophobicContact CB-CG1 4.25Å; I163-I271 HydrophobicContact CB-CG2 4.27Å; I163-I271 HydrophobicContact CD1-CD1 4.42Å; I163-I271 HydrophobicContact CG1-CG1 4.46Å; I163-I271 WeakPolarHBondContact O-CA 3.49Å; I163-F272 PolarHBondContact O-N 2.95Å
164	W	98.9	Very high	94.2	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134	172.6	-174.3	-81.7	0	0	0	111	L122 F123 I124 T166 L206 F272 L274 L304 M305 F307 F308	L122-W164 PolarHBondContact O-N 3.06Å; F123-W164 HydrophobicContact CD2-CB 3.97Å; F123-W164 AromaticContact CD2-CD1 3.6Å; F123-W164 AromaticContact CD2-CG 3.93Å; F123-W164 HydrophobicContact CD2-CG 3.93Å; F123-W164 HydrophobicContact CE2-CB 4.38Å; F123-W164 AromaticContact CE2-CD1 3.17Å; F123-W164 AromaticContact CE2-CG 3.83Å; F123-W164 HydrophobicContact CE2-CG 3.83Å; F123-W164 AromaticContact CE2-NE1 3.62Å; F123-W164 AromaticContact CZ-CD1 3.6Å; F123-W164 AromaticContact CZ-NE1 3.89Å; I124-W164 PolarHBondContact N-O 3.3Å; W164-T166 PolarHBondContact NE1-OG1 2.91Å; W164-L206 HydrophobicContact CH2-CD1 4.12Å; W164-L206 HydrophobicContact CZ3-CD1 3.94Å; W164-F272 CarbonylContact C-O 3.55Å; W164-F272 WeakPolarHBondContact CA-O 3.46Å; W164-F272 HydrophobicContact CE3-CB 3.77Å; W164-F272 HydrophobicContact CE3-CG 4.45Å; W164-F272 HydrophobicContact CZ3-CB 4.03Å; W164-L274 HydrophobicContact CH2-CD1 3.81Å; W164-L274 HydrophobicContact CH2-CG 4.25Å; W164-L274 HydrophobicContact CZ2-CD1 3.64Å; W164-L274 HydrophobicContact CZ2-CG 4.02Å; W164-L304 HydrophobicContact CH2-CB 4.06Å; W164-L304 HydrophobicContact CH2-CD2 4.16Å; W164-L304 HydrophobicContact CZ2-CB 4.49Å; W164-M305 HydrophobicContact CD2-CE 4.44Å; W164-M305 HydrophobicContact CH2-CE 4.26Å; W164-M305 HydrophobicContact CZ2-CE 3.6Å; W164-F307 HydrophobicContact CZ3-CD1 4.13Å; W164-F307 HydrophobicContact CZ3-CE1 4.45Å; W164-F308 HydrophobicContact CB-CD1 3.94Å; W164-F308 HydrophobicContact CB-CD2 3.74Å; W164-F308 HydrophobicContact CB-CE1 3.7Å; W164-F308 HydrophobicContact CB-CE2 3.5Å; W164-F308 VanDerWaalsContact CB-CE2 3.5Å; W164-F308 HydrophobicContact CB-CG 3.97Å; W164-F308 HydrophobicContact CB-CZ 3.48Å; W164-F308 VanDerWaalsContact CB-CZ 3.48Å; W164-F308 HydrophobicContact CD2-CB 4.38Å; W164-F308 HydrophobicContact CD2-CD2 4.4Å; W164-F308 HydrophobicContact CD2-CG 4.21Å; W164-F308 HydrophobicContact CE3-CB 3.73Å; W164-F308 AromaticContact CE3-CD2 3.85Å; W164-F308 HydrophobicContact CE3-CD2 3.85Å; W164-F308 AromaticContact CE3-CG 3.81Å; W164-F308 HydrophobicContact CE3-CG 3.81Å; W164-F308 HydrophobicContact CG-CD1 4.35Å; W164-F308 HydrophobicContact CG-CD2 4.42Å; W164-F308 HydrophobicContact CG-CG 4.31Å; W164-F308 HydrophobicContact CZ3-CB 4.08Å
165	G	98.9	Very high	94.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.6	172.5	0	0	0	0	0	112.7	I124 F272 A273 L274	I124-G165 WeakPolarHBondContact O-CA 3.11Å; G165-F272 PolarHBondContact N-O 3.32Å; G165-A273 CarbonylContact O-C 3.57Å; G165-A273 VanDerWaalsContact O-CA 3.29Å; G165-A273 WeakPolarHBondContact O-CA 3.45Å; G165-L274 PolarHBondContact O-N 2.86Å
166	T	98.8	Very high	95.1	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.7	172.9	-70.9	0	0	0	0	111	Y89 I124 P125 G126 W164 L168 G169 L274 S276	Y89-T166 HydrophobicContact CE1-CG2 3.88Å; I124-T166 PolarHBondContact O-N 2.82Å; P125-T166 CarbonylContact C-O 3.55Å; P125-T166 VanDerWaalsContact C-O 3.28Å; G126-T166 WeakPolarHBondContact CA-O 3.33Å; G126-T166 PolarHBondContact N-O 2.84Å; W164-T166 PolarHBondContact NE1-OG1 2.91Å; T166-L168 PolarHBondContact O-N 3.23Å; T166-G169 PolarHBondContact O-N 2.78Å; T166-L274 CarbonylContact C-O 3.49Å; T166-L274 VanDerWaalsContact CA-O 3.3Å; T166-L274 WeakPolarHBondContact CA-O 3.31Å; T166-S276 WeakPolarHBondContact CG2-O 3.38Å
167	C	98.1	Very high	96.1	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.02	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-97.9	175.8	-178.7	0	0	0	0	113.3	G169 F170 Q171 L274 H277	C167-G169 PolarHBondContact O-N 2.88Å; C167-F170 VanDerWaalsContact O-CB 3.3Å; C167-F170 WeakPolarHBondContact O-CB 3.49Å; C167-F170 PolarHBondContact O-N 2.78Å; C167-F170 VanDerWaalsContact O-N 3.09Å; C167-Q171 WeakPolarHBondContact O-CG 3.43Å; C167-Q171 PolarHBondContact O-N 3.06Å; C167-L274 PolarHBondContact N-O 2.91Å; C167-H277 WeakPolarHBondContact CB-CE1 3.41Å; C167-H277 WeakPolarHBondContact CB-NE2 3.37Å; C167-H277 PolarHBondContact SG-NE2 3.36Å
168	L	98.3	Very high	97	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-56.7	-39.5	170.3	176.9	64.3	0	0	0	111.7	V73 G127 P131 Q135 T166 F170 Q171 I172	V73-L168 HydrophobicContact CB-CD2 4.29Å; V73-L168 HydrophobicContact CG1-CD2 4.16Å; G127-L168 VanDerWaalsContact N-CB 3.35Å; P131-L168 HydrophobicContact CG-CD1 4.34Å; Q135-L168 HydrophobicContact CB-CD1 4.33Å; Q135-L168 HydrophobicContact CB-CD2 4.45Å; Q135-L168 HydrophobicContact CG-CD1 3.95Å; Q135-L168 HydrophobicContact CG-CD2 3.7Å; Q135-L168 HydrophobicContact CG-CG 4.46Å; T166-L168 PolarHBondContact O-N 3.23Å; L168-F170 VanDerWaalsContact C-N 3.33Å; L168-F170 PolarHBondContact O-N 3.08Å; L168-Q171 WeakPolarHBondContact O-CB 3.18Å; L168-Q171 PolarHBondContact O-N 2.9Å; L168-Q171 VanDerWaalsContact O-N 3.16Å; L168-I172 HydrophobicContact CD1-CD1 4.21Å; L168-I172 HydrophobicContact CD1-CG1 4.2Å; L168-I172 HydrophobicContact CD2-CD1 4.41Å; L168-I172 HydrophobicContact CG-CD1 3.9Å; L168-I172 HydrophobicContact CG-CG1 4.31Å; L168-I172 WeakPolarHBondContact O-CB 3.45Å; L168-I172 VanDerWaalsContact O-CG1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.3Å; L168-I172 PolarHBondContact O-N 2.95Å
169	G	98.7	Very high	97.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-39.7	174.3	0	0	0	0	0	113	I124 P125 T166 C167 Q171 I172 L173	I124-G169 VanDerWaalsContact CG2-CA 3.44Å; P125-G169 PolarHBondContact O-N 3.22Å; T166-G169 PolarHBondContact O-N 2.78Å; C167-G169 PolarHBondContact O-N 2.88Å; G169-Q171 VanDerWaalsContact C-N 3.34Å; G169-I172 PolarHBondContact O-N 2.81Å; G169-L173 VanDerWaalsContact O-CG 3.31Å; G169-L173 WeakPolarHBondContact O-CG 3.49Å; G169-L173 PolarHBondContact O-N 3.12Å
170	F	98.8	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.1	-48	171	169.8	-71.9	0	0	0	110.8	C167 L168 I172 L173 A174 L232 V261 L264 A273 M275	C167-F170 VanDerWaalsContact O-CB 3.3Å; C167-F170 WeakPolarHBondContact O-CB 3.49Å; C167-F170 PolarHBondContact O-N 2.78Å; C167-F170 VanDerWaalsContact O-N 3.09Å; L168-F170 VanDerWaalsContact C-N 3.33Å; L168-F170 PolarHBondContact O-N 3.08Å; F170-I172 VanDerWaalsContact C-N 3.34Å; F170-I172 PolarHBondContact O-N 3.45Å; F170-L173 PolarHBondContact O-N 2.72Å; F170-A174 HydrophobicContact CE1-CB 4.5Å; F170-A174 PolarHBondContact O-N 3.07Å; F170-L232 HydrophobicContact CE1-CB 4Å; F170-L232 HydrophobicContact CE1-CD2 4.22Å; F170-L232 HydrophobicContact CZ-CB 4.38Å; F170-L232 HydrophobicContact CZ-CD2 4.09Å; F170-V261 HydrophobicContact CE2-CG1 3.73Å; F170-V261 HydrophobicContact CZ-CB 3.85Å; F170-V261 HydrophobicContact CZ-CG1 3.49Å; F170-V261 VanDerWaalsContact CZ-CG1 3.49Å; F170-L264 HydrophobicContact CE2-CB 4.39Å; F170-L264 HydrophobicContact CE2-CD1 3.65Å; F170-L264 HydrophobicContact CE2-CG 3.74Å; F170-L264 HydrophobicContact CZ-CD1 3.68Å; F170-L264 HydrophobicContact CZ-CG 4.13Å; F170-A273 HydrophobicContact CB-CB 4.07Å; F170-A273 HydrophobicContact CD2-CB 3.51Å; F170-A273 HydrophobicContact CE2-CB 4.26Å; F170-A273 HydrophobicContact CG-CB 4.1Å; F170-M275 HydrophobicContact CD1-CE 3.34Å; F170-M275 HydrophobicContact CD1-SD 4.47Å; F170-M275 HydrophobicContact CE1-CE 3.52Å; F170-M275 HydrophobicContact CG-CE 4.04Å; F170-M275 HydrophobicContact CZ-CE 4.3Å
171	Q	98.5	Very high	98.2	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.028	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-42.6	-178.5	-72.1	168	1.3	0	0	111.4	P131 C167 L168 G169 A174 T175 L183 Y230 M275	P131-Q171 HydrophobicContact CG-CB 3.82Å; C167-Q171 WeakPolarHBondContact O-CG 3.43Å; C167-Q171 PolarHBondContact O-N 3.06Å; L168-Q171 WeakPolarHBondContact O-CB 3.18Å; L168-Q171 PolarHBondContact O-N 2.9Å; L168-Q171 VanDerWaalsContact O-N 3.16Å; G169-Q171 VanDerWaalsContact C-N 3.34Å; Q171-A174 PolarHBondContact O-N 3.23Å; Q171-T175 WeakPolarHBondContact O-CB 3.33Å; Q171-T175 PolarHBondContact O-N 2.64Å; Q171-T175 PolarHBondContact O-OG1 3.17Å; Q171-T175 VanDerWaalsContact O-OG1 3.13Å; Q171-L183 HydrophobicContact CB-CD1 3.56Å; Q171-L183 HydrophobicContact CB-CD2 4.39Å; Q171-L183 HydrophobicContact CG-CD1 3.76Å; Q171-L183 HydrophobicContact CG-CD2 4.07Å; Q171-Y230 PolarHBondContact NE2-O 3.32Å; Q171-M275 HydrophobicContact CG-CE 4.41Å
172	I	98.8	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-48.7	175.3	-75.7	173.9	0	0	0	110.6	I124 P131 V138 T139 A142 L168 G169 F170 A174 T175 I176	I124-I172 HydrophobicContact CD1-CG2 4.27Å; I124-I172 HydrophobicContact CG2-CD1 4.01Å; P131-I172 HydrophobicContact CB-CG1 4.01Å; P131-I172 HydrophobicContact CG-CG1 3.9Å; V138-I172 HydrophobicContact CG1-CD1 3.81Å; T139-I172 HydrophobicContact CG2-CG2 4.36Å; A142-I172 HydrophobicContact CB-CG2 3.65Å; L168-I172 HydrophobicContact CD1-CD1 4.21Å; L168-I172 HydrophobicContact CD1-CG1 4.2Å; L168-I172 HydrophobicContact CD2-CD1 4.41Å; L168-I172 HydrophobicContact CG-CD1 3.9Å; L168-I172 HydrophobicContact CG-CG1 4.31Å; L168-I172 WeakPolarHBondContact O-CB 3.45Å; L168-I172 VanDerWaalsContact O-CG1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.3Å; L168-I172 PolarHBondContact O-N 2.95Å; G169-I172 PolarHBondContact O-N 2.81Å; F170-I172 VanDerWaalsContact C-N 3.34Å; F170-I172 PolarHBondContact O-N 3.45Å; I172-A174 PolarHBondContact O-N 2.84Å; I172-T175 PolarHBondContact O-N 2.99Å; I172-I176 HydrophobicContact CG2-CD1 3.49Å; I172-I176 VanDerWaalsContact CG2-CD1 3.49Å; I172-I176 HydrophobicContact CG2-CG1 4.33Å; I172-I176 WeakPolarHBondContact O-CB 3.42Å; I172-I176 VanDerWaalsContact O-CG1 3.25Å; I172-I176 WeakPolarHBondContact O-CG1 3.19Å; I172-I176 PolarHBondContact O-N 2.83Å
173	L	98.9	Very high	98.1	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-42.7	179.8	-70.1	173.2	0	0	0	112	I124 Y146 I163 G169 F170 I176 T177 I271 A273	I124-L173 HydrophobicContact CD1-CD2 4.04Å; I124-L173 HydrophobicContact CD1-CG 4.23Å; Y146-L173 HydrophobicContact CD2-CD2 3.71Å; Y146-L173 HydrophobicContact CE2-CD2 4.11Å; I163-L173 HydrophobicContact CG2-CD1 4.32Å; I163-L173 HydrophobicContact CG2-CD2 3.98Å; G169-L173 VanDerWaalsContact O-CG 3.31Å; G169-L173 WeakPolarHBondContact O-CG 3.49Å; G169-L173 PolarHBondContact O-N 3.12Å; F170-L173 PolarHBondContact O-N 2.72Å; L173-I176 PolarHBondContact O-N 3.03Å; L173-T177 WeakPolarHBondContact O-CB 3.4Å; L173-T177 PolarHBondContact O-N 3.18Å; L173-T177 PolarHBondContact O-OG1 3.15Å; L173-I271 HydrophobicContact CD1-CG2 4.05Å; L173-I271 HydrophobicContact CD2-CG2 4.22Å; L173-A273 HydrophobicContact CD1-CB 3.96Å
174	A	98.6	Very high	98	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-50.2	174.6	0	0	0	0	0	111.1	F170 Q171 I172 I176 T177 S178 L232 L242	F170-A174 HydrophobicContact CE1-CB 4.5Å; F170-A174 PolarHBondContact O-N 3.07Å; Q171-A174 PolarHBondContact O-N 3.23Å; I172-A174 PolarHBondContact O-N 2.84Å; A174-I176 PolarHBondContact O-N 3.47Å; A174-T177 PolarHBondContact O-N 3.22Å; A174-S178 WeakPolarHBondContact O-CB 3.37Å; A174-S178 PolarHBondContact O-N 2.78Å; A174-S178 PolarHBondContact O-OG 3.12Å; A174-L232 HydrophobicContact CB-CD2 4.33Å; A174-L242 HydrophobicContact CB-CD1 4.21Å
175	T	98.5	Very high	97.8	Very high	11 Å²	11	30.2 Å²	30.2	7%	0.067	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-41.6	178.9	-68	0	0	0	0	113.2	P131 T132 Q171 I172 N179 S180	P131-T175 HydrophobicContact CB-CG2 4.07Å; T132-T175 HydrophobicContact CG2-CG2 3.87Å; Q171-T175 WeakPolarHBondContact O-CB 3.33Å; Q171-T175 PolarHBondContact O-N 2.64Å; Q171-T175 PolarHBondContact O-OG1 3.17Å; Q171-T175 VanDerWaalsContact O-OG1 3.13Å; I172-T175 PolarHBondContact O-N 2.99Å; T175-N179 WeakPolarHBondContact O-CA 3.42Å; T175-N179 PolarHBondContact O-N 2.77Å; T175-S180 WeakPolarHBondContact CG2-O 3.47Å; T175-S180 PolarHBondContact O-N 3.42Å
176	I	98.6	Very high	97.6	Very high	32 Å²	32	30.8 Å²	30.8	16%	0.164	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-46.2	177.1	-69.6	164.8	0	0	0	110	T139 A142 Y146 I172 L173 A174 N179	T139-I176 HydrophobicContact CG2-CD1 4.45Å; T139-I176 HydrophobicContact CG2-CG1 4.09Å; A142-I176 HydrophobicContact CB-CD1 3.91Å; Y146-I176 HydrophobicContact CD1-CG2 3.49Å; Y146-I176 VanDerWaalsContact CD1-CG2 3.49Å; Y146-I176 HydrophobicContact CD2-CG2 4.46Å; Y146-I176 HydrophobicContact CE1-CG2 3.82Å; Y146-I176 HydrophobicContact CG-CG2 3.85Å; I172-I176 HydrophobicContact CG2-CD1 3.49Å; I172-I176 VanDerWaalsContact CG2-CD1 3.49Å; I172-I176 HydrophobicContact CG2-CG1 4.33Å; I172-I176 WeakPolarHBondContact O-CB 3.42Å; I172-I176 VanDerWaalsContact O-CG1 3.25Å; I172-I176 WeakPolarHBondContact O-CG1 3.19Å; I172-I176 PolarHBondContact O-N 2.83Å; L173-I176 PolarHBondContact O-N 3.03Å; A174-I176 PolarHBondContact O-N 3.47Å; I176-N179 PolarHBondContact O-N 2.91Å
177	T	98.6	Very high	97.4	Very high	36 Å²	36	35.9 Å²	35.9	22%	0.221	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-42.7	-175.5	-49.2	0	0	0	0	111.7	Y146 L173 A174 N179 L242 F245 Y246	Y146-T177 PolarHBondContact OH-OG1 3.33Å; L173-T177 WeakPolarHBondContact O-CB 3.4Å; L173-T177 PolarHBondContact O-N 3.18Å; L173-T177 PolarHBondContact O-OG1 3.15Å; A174-T177 PolarHBondContact O-N 3.22Å; T177-N179 VanDerWaalsContact C-N 3.27Å; T177-N179 PolarHBondContact O-N 3.45Å; T177-L242 HydrophobicContact CG2-CD2 3.78Å; T177-F245 HydrophobicContact CG2-CB 3.9Å; T177-F245 HydrophobicContact CG2-CD1 3.82Å; T177-F245 HydrophobicContact CG2-CG 3.89Å; T177-Y246 HydrophobicContact CG2-CD2 4.28Å; T177-Y246 HydrophobicContact CG2-CE2 3.65Å; T177-Y246 VanDerWaalsContact OG1-CE2 3.3Å; T177-Y246 WeakPolarHBondContact OG1-CE2 3.3Å; T177-Y246 PolarHBondContact OG1-OH 3.16Å
178	S	97.8	Very high	97	Very high	21 Å²	21	36.7 Å²	36.7	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-80.8	-7.2	178.3	69.7	0	0	0	0	113.7	A174 S180	A174-S178 WeakPolarHBondContact O-CB 3.37Å; A174-S178 PolarHBondContact O-N 2.78Å; A174-S178 PolarHBondContact O-OG 3.12Å; S178-S180 VanDerWaalsContact CB-OG 3.28Å; S178-S180 WeakPolarHBondContact CB-OG 3.43Å; S178-S180 PolarHBondContact O-N 3.33Å; S178-S180 VanDerWaalsContact O-N 3.12Å; S178-S180 PolarHBondContact O-OG 2.95Å; S178-S180 PolarHBondContact OG-N 3.2Å; S178-S180 PolarHBondContact OG-O 3.36Å; S178-S180 PolarHBondContact OG-OG 2.78Å
179	N	97	Very high	96.7	Very high	152 Å²	152	41.6 Å²	41.6	81%	0.813	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.8	40.8	-171.9	-167.8	37	0	0	0	113	T175 I176 T177	T175-N179 WeakPolarHBondContact O-CA 3.42Å; T175-N179 PolarHBondContact O-N 2.77Å; I176-N179 PolarHBondContact O-N 2.91Å; T177-N179 VanDerWaalsContact C-N 3.27Å; T177-N179 PolarHBondContact O-N 3.45Å
180	S	96.3	Very high	96.4	Very high	45 Å²	45	43.4 Å²	43.4	32%	0.315	23%	0.231	S	C	.	.	S	Bend	trans	-158	158.4	-173.1	49.3	0	0	0	0	113.1	T175 S178 C182	T175-S180 WeakPolarHBondContact CG2-O 3.47Å; T175-S180 PolarHBondContact O-N 3.42Å; S178-S180 VanDerWaalsContact CB-OG 3.28Å; S178-S180 WeakPolarHBondContact CB-OG 3.43Å; S178-S180 PolarHBondContact O-N 3.33Å; S178-S180 VanDerWaalsContact O-N 3.12Å; S178-S180 PolarHBondContact O-OG 2.95Å; S178-S180 PolarHBondContact OG-N 3.2Å; S178-S180 PolarHBondContact OG-O 3.36Å; S178-S180 PolarHBondContact OG-OG 2.78Å; S180-C182 PolarHBondContact O-N 2.78Å
181	D	95.7	Very high	96.2	Very high	80 Å²	80	43.9 Å²	43.9	43%	0.428	24%	0.236	S	C	.	.			trans	-76.4	76.6	168.2	-166.5	-13	0	0	0	109.9	K130 T132 L183	K130-D181 IonicContact NZ-OD1 2.78Å; K130-D181 PolarHBondContact NZ-OD1 3.03Å; K130-D181 IonicContact NZ-OD2 3.62Å; K130-D181 PolarHBondContact NZ-OD2 2.83Å; T132-D181 HydrophobicContact CG2-CB 3.99Å; T132-D181 PolarHBondContact OG1-OD2 3.14Å; D181-L183 PolarHBondContact O-N 3.31Å
182	C	96.6	Very high	96.1	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.041	24%	0.241	C	C	.	.			trans	-81.2	12.8	-176.8	65.4	0	0	0	0	113.9	S180 L232 T236	S180-C182 PolarHBondContact O-N 2.78Å; C182-L232 HydrophobicContact CB-CD1 4.18Å; C182-L232 WeakPolarHBondContact O-CD1 3.41Å; C182-T236 HydrophobicContact CB-CG2 3.91Å; C182-T236 WeakPolarHBondContact O-CG2 3.48Å
183	L	97.4	Very high	96	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.063	25%	0.251	C	S	.	.			trans	-110.5	131.5	-170.1	-57.8	172.2	0	0	0	111.9	K130 P131 Q171 D181 L232	K130-L183 PolarHBondContact NZ-O 2.85Å; P131-L183 HydrophobicContact CG-CD1 3.92Å; Q171-L183 HydrophobicContact CB-CD1 3.56Å; Q171-L183 HydrophobicContact CB-CD2 4.39Å; Q171-L183 HydrophobicContact CG-CD1 3.76Å; Q171-L183 HydrophobicContact CG-CD2 4.07Å; D181-L183 PolarHBondContact O-N 3.31Å; L183-L232 HydrophobicContact CD2-CB 4.22Å
184	M	96.2	Very high	95.9	Very high	75 Å²	75	49 Å²	49	37%	0.369	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	156.9	177.3	66.8	-176.9	-66.7	0	0	111.7	Y230 C231 L258	M184-Y230 CarbonylContact O-C 3.57Å; M184-Y230 VanDerWaalsContact O-CA 3.23Å; M184-Y230 WeakPolarHBondContact O-CA 3.47Å; M184-C231 PolarHBondContact N-O 3.47Å; M184-C231 PolarHBondContact O-N 3.45Å; M184-L258 HydrophobicContact CE-CD1 4.13Å; M184-L258 HydrophobicContact CE-CD2 3.68Å; M184-L258 HydrophobicContact CG-CD2 4.25Å; M184-L258 HydrophobicContact SD-CD1 4.03Å; M184-L258 HydrophobicContact SD-CD2 3.78Å
185	K	95.6	Very high	95.9	Very high	148 Å²	148	49 Å²	49	64%	0.643	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	141.5	170.9	-74.2	-172	177.3	-178.1	0	109.9	A229 Y230	K185-A229 WeakPolarHBondContact CA-O 3.23Å; K185-Y230 HydrophobicContact CB-CE1 4.47Å; K185-Y230 HydrophobicContact CD-CE1 4.4Å; K185-Y230 HydrophobicContact CG-CD1 3.86Å; K185-Y230 HydrophobicContact CG-CE1 3.38Å
186	C	94.2	Very high	95.9	Very high	12 Å²	12	52.2 Å²	52.2	8%	0.081	28%	0.284	C	S	.	.			trans	-134.5	155	175.1	53	0	0	0	0	110.9	C188 A229 Y230 C231 D254 L258	C186-C188 VanDerWaalsContact C-N 3.33Å; C186-C188 PolarHBondContact O-N 2.84Å; C186-A229 PolarHBondContact N-O 3.47Å; C186-A229 VanDerWaalsContact N-O 3.1Å; C186-Y230 VanDerWaalsContact SG-C 3.56Å; C186-C231 HydrophobicContact CB-CB 3.6Å; C186-C231 WeakPolarHBondContact CB-SG 3.13Å; C186-C231 WeakPolarHBondContact SG-CB 3.42Å; C186-C231 PolarHBondContact SG-N 2.97Å; C186-C231 VanDerWaalsContact SG-N 3.41Å; C186-C231 CovalentContact SG-SG 2.03Å; C186-C231 PolarHBondContact SG-SG 3.13Å; C186-D254 HydrophobicContact CB-CB 4.49Å; C186-L258 HydrophobicContact CB-CD2 4.05Å
187	H	93.2	Very high	95.9	Very high	111 Å²	111	52.7 Å²	52.7	51%	0.514	29%	0.286	S	S	.	.			trans	-95.3	57.5	-176	-67.1	-98.4	0	0	0	111.5	D254 R255 N256	H187-D254 IonicContact CD2-OD2 2.69Å; H187-D254 PolarHBondContact N-OD2 3.03Å; H187-R255 HydrophobicContact CB-CB 4.31Å; H187-R255 PolarHBondContact O-N 3.49Å; H187-N256 PolarHBondContact CD2-ND2 3.18Å; H187-N256 PolarHBondContact NE2-ND2 2.93Å
188	C	91.3	Very high	95.8	Very high	21 Å²	21	55.1 Å²	55.1	14%	0.142	29%	0.294	C	S	.	.			trans	-92.1	115.2	177.1	-61.9	0	0	0	0	109.7	C186 H228	C186-C188 VanDerWaalsContact C-N 3.33Å; C186-C188 PolarHBondContact O-N 2.84Å; C188-H228 PolarHBondContact SG-CE1 2.98Å
189	Q	90.7	Very high	95.8	Very high	103 Å²	103	55.4 Å²	55.4	48%	0.481	30%	0.295	S	S	.	.			trans	-75.5	147.5	169.7	-178.5	171.7	-43.8	0	0	109.1	G191 Y193	Q189-G191 PolarHBondContact O-N 2.87Å; Q189-Y193 WeakPolarHBondContact O-CE2 3.33Å; Q189-Y193 PolarHBondContact O-OH 3.49Å
190	A	93.4	Very high	95.6	Very high	38 Å²	38	52.5 Å²	52.5	31%	0.314	28%	0.279	S	S	.	.	S	Bend	trans	-60.8	125.8	170.1	0	0	0	0	0	110.7	H226 V227 Y289	A190-H226 VanDerWaalsContact CA-O 3.3Å; A190-H226 WeakPolarHBondContact CA-O 3.28Å; A190-V227 HydrophobicContact CB-CG2 4.37Å; A190-Y289 HydrophobicContact CB-CD1 3.7Å; A190-Y289 HydrophobicContact CB-CE1 3.76Å
191	G	94.6	Very high	95.6	Very high	10 Å²	10	51.9 Å²	51.9	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-179.5	-177.2	0	0	0	0	0	111.7	Q189 Y193 P225 H226	Q189-G191 PolarHBondContact O-N 2.87Å; G191-Y193 WeakPolarHBondContact O-CD2 3.29Å; G191-Y193 WeakPolarHBondContact O-CE2 3.32Å; G191-P225 CarbonylContact O-C 3.48Å; G191-P225 WeakPolarHBondContact O-CA 3.27Å; G191-H226 PolarHBondContact N-O 3.02Å; G191-H226 PolarHBondContact O-N 3.27Å
192	S	96.3	Very high	95.5	Very high	18 Å²	18	52.1 Å²	52.1	13%	0.126	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	142.6	172.7	-59.3	0	0	0	0	111.4	C222 C224 F291 D292	S192-C222 WeakPolarHBondContact CB-O 3.13Å; S192-C222 WeakPolarHBondContact O-CB 3.42Å; S192-C224 CarbonylContact C-O 3.5Å; S192-C224 VanDerWaalsContact CA-O 3.31Å; S192-C224 WeakPolarHBondContact CA-O 3.35Å; S192-F291 WeakPolarHBondContact OG-CA 3.43Å; S192-D292 PolarHBondContact OG-N 2.88Å
193	Y	97	Very high	95.2	Very high	57 Å²	57	56.2 Å²	56.2	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.2	-174.9	-61.7	-84.2	0	0	0	110.9	Q189 G191 I223 C224 H226	Q189-Y193 WeakPolarHBondContact O-CE2 3.33Å; Q189-Y193 PolarHBondContact O-OH 3.49Å; G191-Y193 WeakPolarHBondContact O-CD2 3.29Å; G191-Y193 WeakPolarHBondContact O-CE2 3.32Å; Y193-I223 PolarHBondContact O-N 2.81Å; Y193-C224 PolarHBondContact N-O 2.91Å; Y193-C224 VanDerWaalsContact O-CB 3.22Å; Y193-C224 WeakPolarHBondContact O-CB 3.45Å; Y193-C224 PolarHBondContact O-N 3.46Å; Y193-H226 HydrophobicContact CD2-CB 3.78Å; Y193-H226 AromaticContact CD2-CG 3.86Å; Y193-H226 HydrophobicContact CE2-CB 3.99Å
194	S	97.2	Very high	95.1	Very high	39 Å²	39	55.8 Å²	55.8	27%	0.273	30%	0.295	S	S	.	.			trans	-78.7	171.4	166	60.7	0	0	0	0	110.4	I218 E221 N252	S194-I218 CarbonylContact C-O 3.52Å; S194-I218 WeakPolarHBondContact CA-O 3.39Å; S194-I218 WeakPolarHBondContact CB-O 3.41Å; S194-E221 VanDerWaalsContact CA-O 3.29Å; S194-E221 WeakPolarHBondContact CA-O 3.49Å; S194-E221 VanDerWaalsContact CB-O 3.3Å; S194-E221 WeakPolarHBondContact CB-O 3.16Å; S194-N252 PolarHBondContact O-ND2 3.38Å
195	A	98.1	Very high	95.1	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.025	28%	0.282	C	S	.	.			trans	-129.7	143.6	173	0	0	0	0	0	111	I218 T219 A250 V262	A195-I218 HydrophobicContact CB-CG2 3.8Å; A195-I218 PolarHBondContact N-O 3.35Å; A195-T219 WeakPolarHBondContact O-CA 3.47Å; A195-A250 HydrophobicContact CB-CB 4.05Å; A195-V262 HydrophobicContact CB-CG1 4.36Å
196	T	98.4	Very high	95.2	Very high	78 Å²	78	46.5 Å²	46.5	48%	0.479	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.2	172.3	-59.3	0	0	0	0	108.5	A250 S251	T196-A250 CarbonylContact O-C 3.58Å; T196-A250 WeakPolarHBondContact O-CA 3.38Å; T196-S251 PolarHBondContact N-O 3.17Å; T196-S251 PolarHBondContact O-N 2.88Å
197	L	98.1	Very high	95.4	Very high	41 Å²	41	46.4 Å²	46.4	22%	0.215	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.5	173.9	-59.5	-178.6	0	0	0	110.4	P201 L207 L215 I218 T219 L249 A250	L197-P201 HydrophobicContact CD1-CG 4Å; L197-L207 HydrophobicContact CD2-CD1 4.1Å; L197-L207 HydrophobicContact CD2-CD2 4.19Å; L197-L215 HydrophobicContact CD1-CD2 4.45Å; L197-I218 HydrophobicContact CD2-CG2 4.29Å; L197-T219 HydrophobicContact CD1-CG2 3.83Å; L197-T219 HydrophobicContact CG-CG2 3.67Å; L197-L249 WeakPolarHBondContact CA-O 3.29Å; L197-A250 HydrophobicContact CD2-CB 4.18Å
198	K	97.8	Very high	95.6	Very high	88 Å²	88	44 Å²	44	38%	0.383	25%	0.246	S	C	.	.			trans	-115.2	-3.2	-175.2	-69.6	-62.2	-149.5	-165.1	0	113.4	L248 L249 S251 E259	K198-L248 HydrophobicContact CB-CB 4.46Å; K198-L248 HydrophobicContact CB-CD2 4.04Å; K198-L248 HydrophobicContact CB-CG 3.75Å; K198-L248 WeakPolarHBondContact CB-O 3.3Å; K198-L248 HydrophobicContact CD-CD2 4.4Å; K198-L248 HydrophobicContact CG-CD2 3.8Å; K198-L248 HydrophobicContact CG-CG 3.82Å; K198-L249 PolarHBondContact N-O 3.3Å; K198-S251 WeakPolarHBondContact CE-OG 3.38Å; K198-E259 VanDerWaalsContact CE-OE1 3.24Å; K198-E259 WeakPolarHBondContact CE-OE1 3.46Å; K198-E259 IonicContact NZ-OE1 3.8Å; K198-E259 PolarHBondContact NZ-OE1 3.4Å
199	V	96	Very high	95.8	Very high	27 Å²	27	44.6 Å²	44.6	16%	0.164	25%	0.251	C	S	.	.	S	Bend	trans	-139.3	154.1	176.5	69.3	0	0	0	0	108.7	P201 R203 L207 V247 L249	V199-P201 WeakPolarHBondContact O-CD 3.49Å; V199-R203 HydrophobicContact CG2-CB 4.11Å; V199-L207 HydrophobicContact CG1-CD1 3.8Å; V199-V247 HydrophobicContact CB-CG1 4.39Å; V199-V247 HydrophobicContact CG1-CG1 4.49Å; V199-V247 HydrophobicContact CG2-CG1 4.27Å; V199-L249 HydrophobicContact CG1-CD2 3.75Å
200	D	94.7	Very high	96.2	Very high	90 Å²	90	40.2 Å²	40.2	48%	0.481	23%	0.23	S	C	.	.			trans	-58.9	124.4	166	-174.5	-35.8	0	0	0	109.3	S202 R203	D200-S202 PolarHBondContact O-N 3.13Å; D200-S202 VanDerWaalsContact O-N 3.14Å; D200-S202 WeakPolarHBondContact OD1-CB 3.5Å; D200-S202 PolarHBondContact OD1-N 2.66Å; D200-S202 PolarHBondContact OD1-OG 3.19Å; D200-S202 PolarHBondContact OD2-OG 3.21Å; D200-R203 HydrophobicContact CB-CB 4.47Å; D200-R203 HydrophobicContact CB-CG 4.08Å; D200-R203 WeakPolarHBondContact O-CB 3.38Å; D200-R203 PolarHBondContact O-N 3.44Å
201	P	95.1	Very high	96.4	Very high	32 Å²	32	39.5 Å²	39.5	21%	0.208	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-51.5	-35.9	178.7	-29.7	36.7	0	0	0	114.1	L197 V199 R203 S204 L207 S208 L215	L197-P201 HydrophobicContact CD1-CG 4Å; V199-P201 WeakPolarHBondContact O-CD 3.49Å; P201-R203 PolarHBondContact O-N 3.22Å; P201-S204 PolarHBondContact O-N 3.09Å; P201-S204 VanDerWaalsContact O-N 3.09Å; P201-L207 HydrophobicContact CB-CB 3.92Å; P201-S208 WeakPolarHBondContact O-CA 3.25Å; P201-S208 WeakPolarHBondContact O-CB 3.3Å; P201-S208 PolarHBondContact O-N 3.42Å; P201-S208 VanDerWaalsContact O-N 3.07Å; P201-L215 HydrophobicContact CB-CD1 3.7Å; P201-L215 HydrophobicContact CB-CD2 4.07Å; P201-L215 HydrophobicContact CG-CD1 4.08Å; P201-L215 HydrophobicContact CG-CD2 4.15Å
202	S	93.6	Very high	96.5	Very high	86 Å²	86	43.2 Å²	43.2	60%	0.601	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-65	-18.7	179.5	68	0	0	0	0	113.5	D200	D200-S202 PolarHBondContact O-N 3.13Å; D200-S202 VanDerWaalsContact O-N 3.14Å; D200-S202 WeakPolarHBondContact OD1-CB 3.5Å; D200-S202 PolarHBondContact OD1-N 2.66Å; D200-S202 PolarHBondContact OD1-OG 3.19Å; D200-S202 PolarHBondContact OD2-OG 3.21Å
203	R	91.3	Very high	96.6	Very high	92 Å²	92	47.4 Å²	47.4	35%	0.347	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-97.5	9.3	177.8	-59.7	-178.7	66.3	-171.4	2.2	112.9	Y48 Y52 V199 D200 P201	Y48-R203 PolarHBondContact O-NH2 3.07Å; Y52-R203 WeakPolarHBondContact CE2-O 3.42Å; Y52-R203 PolarHBondContact OH-O 3.46Å; V199-R203 HydrophobicContact CG2-CB 4.11Å; D200-R203 HydrophobicContact CB-CB 4.47Å; D200-R203 HydrophobicContact CB-CG 4.08Å; D200-R203 WeakPolarHBondContact O-CB 3.38Å; D200-R203 PolarHBondContact O-N 3.44Å; P201-R203 PolarHBondContact O-N 3.22Å
204	S	95.5	Very high	96.7	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.021	25%	0.252	C	S	.	.			trans	-121.2	139.7	175.5	153.2	0	0	0	0	110.3	P201 L206 L207 S208 L249 E265	P201-S204 PolarHBondContact O-N 3.09Å; P201-S204 VanDerWaalsContact O-N 3.09Å; S204-L206 PolarHBondContact OG-N 3.07Å; S204-L207 PolarHBondContact OG-N 3.49Å; S204-S208 WeakPolarHBondContact O-CB 3.26Å; S204-S208 PolarHBondContact O-N 3.16Å; S204-S208 VanDerWaalsContact O-N 3.09Å; S204-S208 PolarHBondContact O-OG 2.98Å; S204-L249 WeakPolarHBondContact OG-CD2 3.18Å; S204-E265 WeakPolarHBondContact CA-OE1 3.37Å; S204-E265 WeakPolarHBondContact CB-OE1 3.34Å; S204-E265 VanDerWaalsContact OG-CD 3.24Å; S204-E265 PolarHBondContact OG-OE1 3.47Å; S204-E265 PolarHBondContact OG-OE2 2.92Å
205	R	96	Very high	96.7	Very high	26 Å²	26	44.2 Å²	44.2	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-43	174.5	-69.3	-173.8	-60.1	-77	-3.3	111.1	S208 E265 A266 R267 H269 F272 F307	R205-S208 PolarHBondContact O-OG 3.12Å; R205-E265 PolarHBondContact N-OE1 2.6Å; R205-E265 PolarHBondContact N-OE2 2.99Å; R205-E265 VanDerWaalsContact N-OE2 3.12Å; R205-A266 PolarHBondContact NH2-O 3.23Å; R205-R267 PolarHBondContact NH1-O 3.09Å; R205-H269 PolarHBondContact NH2-O 3.32Å; R205-F272 HydrophobicContact CB-CE1 4.24Å; R205-F307 HydrophobicContact CB-CE2 4.42Å; R205-F307 HydrophobicContact CB-CZ 4.31Å; R205-F307 VanDerWaalsContact O-CE2 3.27Å; R205-F307 WeakPolarHBondContact O-CE2 3.21Å
206	L	97.6	Very high	96.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-54.6	179.3	-179.1	64.4	0	0	0	111.7	W164 S204 S209 L249 E265 F272 L274 L304 F307	W164-L206 HydrophobicContact CH2-CD1 4.12Å; W164-L206 HydrophobicContact CZ3-CD1 3.94Å; S204-L206 PolarHBondContact OG-N 3.07Å; L206-S209 WeakPolarHBondContact O-CB 3.38Å; L206-S209 PolarHBondContact O-N 2.66Å; L206-S209 PolarHBondContact O-OG 3.22Å; L206-L249 HydrophobicContact CB-CD1 4.17Å; L206-L249 HydrophobicContact CD2-CD1 3.78Å; L206-E265 PolarHBondContact N-OE2 3.44Å; L206-F272 HydrophobicContact CB-CD1 4.24Å; L206-L274 HydrophobicContact CD2-CD2 4.03Å; L206-L274 HydrophobicContact CD2-CG 4.48Å; L206-L304 HydrophobicContact CD1-CD2 3.82Å; L206-L304 HydrophobicContact CD2-CD2 4.4Å; L206-L304 HydrophobicContact CG-CD2 4.31Å; L206-F307 HydrophobicContact CB-CE1 4.21Å; L206-F307 HydrophobicContact CB-CZ 4.25Å; L206-F307 HydrophobicContact CD1-CB 4.42Å; L206-F307 HydrophobicContact CD1-CD1 3.22Å; L206-F307 HydrophobicContact CD1-CE1 3.46Å; L206-F307 VanDerWaalsContact CD1-CE1 3.46Å; L206-F307 HydrophobicContact CD1-CG 3.8Å; L206-F307 HydrophobicContact CD1-CZ 4.2Å; L206-F307 HydrophobicContact CG-CE1 4.44Å
207	L	97.8	Very high	96.7	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-69.5	-37.2	-172.4	-62	178.4	0	0	0	112.4	L197 V199 P201 S204 S209 L210 L215 L249	L197-L207 HydrophobicContact CD2-CD1 4.1Å; L197-L207 HydrophobicContact CD2-CD2 4.19Å; V199-L207 HydrophobicContact CG1-CD1 3.8Å; P201-L207 HydrophobicContact CB-CB 3.92Å; S204-L207 PolarHBondContact OG-N 3.49Å; L207-S209 PolarHBondContact O-N 2.93Å; L207-L210 HydrophobicContact CD2-CD1 4.27Å; L207-L210 WeakPolarHBondContact O-CB 3.26Å; L207-L210 PolarHBondContact O-N 3Å; L207-L210 VanDerWaalsContact O-N 3.13Å; L207-L215 HydrophobicContact CB-CD2 4.13Å; L207-L215 HydrophobicContact CD2-CD2 4.21Å; L207-L249 HydrophobicContact CD1-CB 4.24Å; L207-L249 HydrophobicContact CD1-CD2 4.11Å; L207-L249 HydrophobicContact CG-CD2 4.36Å
208	S	96.7	Very high	96.7	Very high	61 Å²	61	43.1 Å²	43.1	43%	0.427	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-17.7	176	64.1	0	0	0	0	113.4	P201 S204 R205 L210	P201-S208 WeakPolarHBondContact O-CA 3.25Å; P201-S208 WeakPolarHBondContact O-CB 3.3Å; P201-S208 PolarHBondContact O-N 3.42Å; P201-S208 VanDerWaalsContact O-N 3.07Å; S204-S208 WeakPolarHBondContact O-CB 3.26Å; S204-S208 PolarHBondContact O-N 3.16Å; S204-S208 VanDerWaalsContact O-N 3.09Å; S204-S208 PolarHBondContact O-OG 2.98Å; R205-S208 PolarHBondContact O-OG 3.12Å; S208-L210 VanDerWaalsContact C-N 3.33Å
209	S	96.6	Very high	96.7	Very high	33 Å²	33	42 Å²	42	23%	0.231	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.6	176.4	83.2	0	0	0	0	114	L206 L207 F307	L206-S209 WeakPolarHBondContact O-CB 3.38Å; L206-S209 PolarHBondContact O-N 2.66Å; L206-S209 PolarHBondContact O-OG 3.22Å; L207-S209 PolarHBondContact O-N 2.93Å; S209-F307 VanDerWaalsContact CB-CD2 3.5Å; S209-F307 WeakPolarHBondContact OG-CD2 3.41Å
210	L	97.9	Very high	96.8	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.058	26%	0.26	C	S	.	.	S	Bend	trans	-86.5	147.9	179.1	-57.7	-177.7	0	0	0	110.7	L207 S208 I214 L215 I218 L300 E303 L304	L207-L210 HydrophobicContact CD2-CD1 4.27Å; L207-L210 WeakPolarHBondContact O-CB 3.26Å; L207-L210 PolarHBondContact O-N 3Å; L207-L210 VanDerWaalsContact O-N 3.13Å; S208-L210 VanDerWaalsContact C-N 3.33Å; L210-I214 HydrophobicContact CD1-CG2 4.46Å; L210-L215 HydrophobicContact CB-CD2 4.12Å; L210-L215 HydrophobicContact CB-CG 4.06Å; L210-L215 HydrophobicContact CD1-CD2 4.15Å; L210-I218 HydrophobicContact CD1-CD1 3.69Å; L210-L300 HydrophobicContact CD1-CD1 4.26Å; L210-E303 WeakPolarHBondContact CA-OE2 3.17Å; L210-E303 HydrophobicContact CD2-CB 3.71Å; L210-L304 HydrophobicContact CD1-CD2 4.31Å; L210-L304 HydrophobicContact CD2-CD2 4.04Å; L210-L304 HydrophobicContact CD2-CG 4.44Å
211	S	97.6	Very high	97	Very high	22 Å²	22	43.6 Å²	43.6	15%	0.154	25%	0.253	C	S	.	.			trans	-65	148.3	174.7	58.6	0	0	0	0	111.7	E213 I214 L215 R299 E303	S211-E213 PolarHBondContact O-N 3.29Å; S211-I214 PolarHBondContact O-N 2.82Å; S211-I214 WeakPolarHBondContact OG-CB 3.37Å; S211-I214 WeakPolarHBondContact OG-CG1 3.32Å; S211-L215 PolarHBondContact O-N 2.88Å; S211-R299 PolarHBondContact OG-NH2 3.19Å; S211-E303 PolarHBondContact N-OE2 3.38Å; S211-E303 PolarHBondContact OG-OE1 2.87Å; S211-E303 PolarHBondContact OG-OE2 2.89Å
212	P	97.6	Very high	97.1	Very high	89 Å²	89	45.5 Å²	45.5	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-56.2	-35	178.9	-26.8	35.9	0	0	0	113.8	I214 L215 T216	P212-I214 VanDerWaalsContact C-N 3.34Å; P212-L215 PolarHBondContact O-N 2.85Å; P212-T216 PolarHBondContact O-N 2.74Å; P212-T216 PolarHBondContact O-OG1 3.39Å
213	E	98.2	Very high	97.3	Very high	106 Å²	106	41.4 Å²	41.4	50%	0.495	24%	0.238	S	C	.	.	H	α-helix	trans	-64.4	-41.7	176.6	-60.9	73.1	-153.5	0	0	110.7	S211 T216 A217 R299	S211-E213 PolarHBondContact O-N 3.29Å; E213-T216 WeakPolarHBondContact O-CB 3.13Å; E213-T216 PolarHBondContact O-N 3.1Å; E213-A217 WeakPolarHBondContact O-CB 3.45Å; E213-A217 PolarHBondContact O-N 3.29Å; E213-R299 IonicContact OE2-NH2 2.71Å
214	I	98.5	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-72.3	-37.4	179.7	-66.1	-62.4	0	0	0	111.8	L210 S211 P212 T216 A217 I218 N296 R299 L300	L210-I214 HydrophobicContact CD1-CG2 4.46Å; S211-I214 PolarHBondContact O-N 2.82Å; S211-I214 WeakPolarHBondContact OG-CB 3.37Å; S211-I214 WeakPolarHBondContact OG-CG1 3.32Å; P212-I214 VanDerWaalsContact C-N 3.34Å; I214-T216 VanDerWaalsContact C-N 3.26Å; I214-T216 PolarHBondContact O-N 2.89Å; I214-A217 PolarHBondContact O-N 2.81Å; I214-I218 HydrophobicContact CG2-CD1 4.07Å; I214-I218 HydrophobicContact CG2-CG1 4.41Å; I214-I218 WeakPolarHBondContact O-CD1 3.35Å; I214-I218 VanDerWaalsContact O-CG1 3.25Å; I214-I218 WeakPolarHBondContact O-CG1 3.47Å; I214-I218 PolarHBondContact O-N 2.69Å; I214-N296 HydrophobicContact CD1-CB 4.19Å; I214-N296 WeakPolarHBondContact CD1-O 3.31Å; I214-R299 HydrophobicContact CD1-CB 3.53Å; I214-R299 HydrophobicContact CG1-CB 4.19Å; I214-L300 HydrophobicContact CG2-CB 4Å; I214-L300 HydrophobicContact CG2-CD1 3.56Å; I214-L300 HydrophobicContact CG2-CG 4.34Å
215	L	98.3	Very high	97.7	Very high	28 Å²	28	37.1 Å²	37.1	15%	0.147	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-40.5	171.1	-71.5	170.8	0	0	0	111.6	L197 P201 L207 L210 S211 P212	L197-L215 HydrophobicContact CD1-CD2 4.45Å; P201-L215 HydrophobicContact CB-CD1 3.7Å; P201-L215 HydrophobicContact CB-CD2 4.07Å; P201-L215 HydrophobicContact CG-CD1 4.08Å; P201-L215 HydrophobicContact CG-CD2 4.15Å; L207-L215 HydrophobicContact CB-CD2 4.13Å; L207-L215 HydrophobicContact CD2-CD2 4.21Å; L210-L215 HydrophobicContact CB-CD2 4.12Å; L210-L215 HydrophobicContact CB-CG 4.06Å; L210-L215 HydrophobicContact CD1-CD2 4.15Å; S211-L215 PolarHBondContact O-N 2.88Å; P212-L215 PolarHBondContact O-N 2.85Å
216	T	98.4	Very high	97.7	Very high	86 Å²	86	35.9 Å²	35.9	53%	0.528	22%	0.217	S	C	.	.	H	α-helix	trans	-66.6	-46.5	175.3	-56.1	0	0	0	0	110.8	P212 E213 I214 I218 T219 S220	P212-T216 PolarHBondContact O-N 2.74Å; P212-T216 PolarHBondContact O-OG1 3.39Å; E213-T216 WeakPolarHBondContact O-CB 3.13Å; E213-T216 PolarHBondContact O-N 3.1Å; I214-T216 VanDerWaalsContact C-N 3.26Å; I214-T216 PolarHBondContact O-N 2.89Å; T216-I218 PolarHBondContact O-N 3.41Å; T216-T219 PolarHBondContact O-N 2.81Å; T216-T219 VanDerWaalsContact O-N 3.16Å; T216-T219 PolarHBondContact O-OG1 3.08Å; T216-S220 PolarHBondContact O-N 3.03Å; T216-S220 VanDerWaalsContact O-N 3.08Å; T216-S220 PolarHBondContact O-OG 2.83Å
217	A	98.5	Very high	97.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-38.7	-179.6	0	0	0	0	0	112.6	E213 I214 T219 S220 E221 I223 N296	E213-A217 WeakPolarHBondContact O-CB 3.45Å; E213-A217 PolarHBondContact O-N 3.29Å; I214-A217 PolarHBondContact O-N 2.81Å; A217-T219 PolarHBondContact O-N 3.24Å; A217-S220 PolarHBondContact O-N 2.87Å; A217-E221 HydrophobicContact CB-CG 4.42Å; A217-E221 WeakPolarHBondContact O-CA 3.4Å; A217-E221 WeakPolarHBondContact O-CB 3.39Å; A217-E221 PolarHBondContact O-N 2.87Å; A217-I223 HydrophobicContact CB-CD1 3.72Å; A217-N296 HydrophobicContact CB-CB 3.9Å
218	I	98.2	Very high	97.4	Very high	12 Å²	12	38 Å²	38	6%	0.062	23%	0.229	C	C	.	.	H	α-helix	trans	-54.5	-39.4	175.1	-72.4	159.4	0	0	0	111.3	S194 A195 L197 L210 I214 T216 I223 L300	S194-I218 CarbonylContact C-O 3.52Å; S194-I218 WeakPolarHBondContact CA-O 3.39Å; S194-I218 WeakPolarHBondContact CB-O 3.41Å; A195-I218 HydrophobicContact CB-CG2 3.8Å; A195-I218 PolarHBondContact N-O 3.35Å; L197-I218 HydrophobicContact CD2-CG2 4.29Å; L210-I218 HydrophobicContact CD1-CD1 3.69Å; I214-I218 HydrophobicContact CG2-CD1 4.07Å; I214-I218 HydrophobicContact CG2-CG1 4.41Å; I214-I218 WeakPolarHBondContact O-CD1 3.35Å; I214-I218 VanDerWaalsContact O-CG1 3.25Å; I214-I218 WeakPolarHBondContact O-CG1 3.47Å; I214-I218 PolarHBondContact O-N 2.69Å; T216-I218 PolarHBondContact O-N 3.41Å; I218-I223 HydrophobicContact CG1-CD1 4.29Å; I218-L300 HydrophobicContact CD1-CD1 3.78Å; I218-L300 HydrophobicContact CG1-CD1 4.06Å; I218-L300 HydrophobicContact CG1-CD2 3.97Å
219	T	97.8	Very high	97.3	Very high	66 Å²	66	38 Å²	38	41%	0.405	23%	0.232	S	C	.	.	H	α-helix	trans	-86.7	-25.3	-175.9	64.6	0	0	0	0	114.3	A195 L197 T216 A217	A195-T219 WeakPolarHBondContact O-CA 3.47Å; L197-T219 HydrophobicContact CD1-CG2 3.83Å; L197-T219 HydrophobicContact CG-CG2 3.67Å; T216-T219 PolarHBondContact O-N 2.81Å; T216-T219 VanDerWaalsContact O-N 3.16Å; T216-T219 PolarHBondContact O-OG1 3.08Å; A217-T219 PolarHBondContact O-N 3.24Å
220	S	97.8	Very high	97.3	Very high	78 Å²	78	39.1 Å²	39.1	55%	0.545	23%	0.232	S	C	.	.	H	α-helix	trans	-111.6	-20.1	-170.9	57.5	0	0	0	0	114.3	T216 A217	T216-S220 PolarHBondContact O-N 3.03Å; T216-S220 VanDerWaalsContact O-N 3.08Å; T216-S220 PolarHBondContact O-OG 2.83Å; A217-S220 PolarHBondContact O-N 2.87Å
221	E	98	Very high	97.2	Very high	71 Å²	71	38.6 Å²	38.6	33%	0.332	23%	0.229	S	C	.	.	S	Bend	trans	-119.8	149	-175.8	-58.1	175.7	-162.9	0	0	111.3	S194 A217 I223 N296	S194-E221 VanDerWaalsContact CA-O 3.29Å; S194-E221 WeakPolarHBondContact CA-O 3.49Å; S194-E221 VanDerWaalsContact CB-O 3.3Å; S194-E221 WeakPolarHBondContact CB-O 3.16Å; A217-E221 HydrophobicContact CB-CG 4.42Å; A217-E221 WeakPolarHBondContact O-CA 3.4Å; A217-E221 WeakPolarHBondContact O-CB 3.39Å; A217-E221 PolarHBondContact O-N 2.87Å; E221-I223 VanDerWaalsContact C-N 3.26Å; E221-I223 HydrophobicContact CB-CG2 3.69Å; E221-I223 PolarHBondContact O-N 3.16Å; E221-N296 VanDerWaalsContact CD-ND2 3.33Å; E221-N296 PolarHBondContact OE1-ND2 2.82Å; E221-N296 PolarHBondContact OE2-ND2 3.19Å
222	C	97.3	Very high	97.3	Very high	72 Å²	72	37.5 Å²	37.5	49%	0.486	22%	0.222	S	C	.	.			trans	-81.4	69.9	176.4	-74.3	0	0	0	0	111.1	S192 D292	S192-C222 WeakPolarHBondContact CB-O 3.13Å; S192-C222 WeakPolarHBondContact O-CB 3.42Å; C222-D292 VanDerWaalsContact O-CB 3.25Å; C222-D292 WeakPolarHBondContact O-CB 3.35Å
223	I	97.7	Very high	97.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	20%	0.196	C	C	.	.			trans	-110.1	-2.3	-172.3	62	165.5	0	0	0	115.1	Y193 A217 I218 E221 P225 N296 A297 L300	Y193-I223 PolarHBondContact O-N 2.81Å; A217-I223 HydrophobicContact CB-CD1 3.72Å; I218-I223 HydrophobicContact CG1-CD1 4.29Å; E221-I223 VanDerWaalsContact C-N 3.26Å; E221-I223 HydrophobicContact CB-CG2 3.69Å; E221-I223 PolarHBondContact O-N 3.16Å; I223-P225 WeakPolarHBondContact O-CD 3.34Å; I223-N296 HydrophobicContact CD1-CB 4.42Å; I223-N296 HydrophobicContact CG2-CB 4.5Å; I223-A297 HydrophobicContact CB-CB 3.94Å; I223-A297 HydrophobicContact CG2-CB 4.11Å; I223-L300 HydrophobicContact CD1-CB 4.37Å; I223-L300 HydrophobicContact CD1-CD2 3.8Å; I223-L300 HydrophobicContact CG1-CD2 4.14Å
224	C	97.8	Very high	97.3	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.034	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109	177.6	-59.9	0	0	0	0	110.8	S192 Y193 H226	S192-C224 CarbonylContact C-O 3.5Å; S192-C224 VanDerWaalsContact CA-O 3.31Å; S192-C224 WeakPolarHBondContact CA-O 3.35Å; Y193-C224 PolarHBondContact N-O 2.91Å; Y193-C224 VanDerWaalsContact O-CB 3.22Å; Y193-C224 WeakPolarHBondContact O-CB 3.45Å; Y193-C224 PolarHBondContact O-N 3.46Å; C224-H226 PolarHBondContact O-CD2 3.09Å; C224-H226 PolarHBondContact O-N 2.94Å
225	P	97.3	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.2	175.3	-26.4	38.7	0	0	0	112.8	G191 I223 S276 H277 Q278 V281 F291	G191-P225 CarbonylContact O-C 3.48Å; G191-P225 WeakPolarHBondContact O-CA 3.27Å; I223-P225 WeakPolarHBondContact O-CD 3.34Å; P225-S276 CarbonylContact O-C 3.59Å; P225-S276 WeakPolarHBondContact O-CA 3.45Å; P225-S276 VanDerWaalsContact O-CB 3.31Å; P225-S276 WeakPolarHBondContact O-CB 3.39Å; P225-H277 HydrophobicContact CB-CB 4.21Å; P225-H277 PolarHBondContact O-N 3.01Å; P225-Q278 VanDerWaalsContact CD-OE1 3.26Å; P225-V281 HydrophobicContact CG-CG2 3.68Å; P225-F291 HydrophobicContact CB-CD1 3.6Å; P225-F291 HydrophobicContact CB-CE1 3.86Å; P225-F291 HydrophobicContact CB-CG 3.99Å; P225-F291 HydrophobicContact CB-CZ 4.46Å; P225-F291 HydrophobicContact CG-CB 4.22Å; P225-F291 HydrophobicContact CG-CD1 4.18Å; P225-F291 HydrophobicContact CG-CG 4.17Å
226	H	96.5	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.1	175.6	-74.6	-142.7	0	0	0	109.5	A190 G191 Y193 C224 H228 Y260	A190-H226 VanDerWaalsContact CA-O 3.3Å; A190-H226 WeakPolarHBondContact CA-O 3.28Å; G191-H226 PolarHBondContact N-O 3.02Å; G191-H226 PolarHBondContact O-N 3.27Å; Y193-H226 HydrophobicContact CD2-CB 3.78Å; Y193-H226 AromaticContact CD2-CG 3.86Å; Y193-H226 HydrophobicContact CE2-CB 3.99Å; C224-H226 PolarHBondContact O-CD2 3.09Å; C224-H226 PolarHBondContact O-N 2.94Å; H226-H228 AromaticContact CG-NE2 3.71Å; H226-H228 AromaticContact ND1-NE2 3.19Å; H226-H228 PolarHBondContact ND1-NE2 3.01Å; H226-H228 VanDerWaalsContact ND1-NE2 3.19Å; H226-Y260 AromaticContact CE1-CE2 3.84Å; H226-Y260 AromaticContact CE1-CZ 3.95Å; H226-Y260 PolarHBondContact CE1-OH 3.44Å; H226-Y260 AromaticContact ND1-CE2 3.87Å; H226-Y260 AromaticContact ND1-CZ 3.79Å; H226-Y260 PolarHBondContact ND1-OH 3.45Å
227	V	94.8	Very high	97.2	Very high	37 Å²	37	31.1 Å²	31.1	22%	0.224	18%	0.179	C	C	.	.			trans	-145	79.3	174.9	-169.8	0	0	0	0	108.6	A190 K280 Y289 F291	A190-V227 HydrophobicContact CB-CG2 4.37Å; V227-K280 HydrophobicContact CG2-CD 4.33Å; V227-Y289 HydrophobicContact CG1-CE1 4.31Å; V227-F291 HydrophobicContact CG2-CE1 3.83Å; V227-F291 HydrophobicContact CG2-CZ 3.48Å; V227-F291 VanDerWaalsContact CG2-CZ 3.48Å
228	H	94.6	Very high	97.1	Very high	19 Å²	19	37.1 Å²	37.1	9%	0.088	20%	0.203	C	C	.	.			trans	-149.9	153.8	-178.2	54.6	81.8	0	0	0	111.7	C188 H226 C231 Y260 M275	C188-H228 PolarHBondContact SG-CE1 2.98Å; H226-H228 AromaticContact CG-NE2 3.71Å; H226-H228 AromaticContact ND1-NE2 3.19Å; H226-H228 PolarHBondContact ND1-NE2 3.01Å; H226-H228 VanDerWaalsContact ND1-NE2 3.19Å; H228-C231 PolarHBondContact CE1-SG 2.66Å; H228-C231 PolarHBondContact ND1-SG 2.96Å; H228-C231 VanDerWaalsContact ND1-SG 3.43Å; H228-Y260 AromaticContact CE1-CE2 3.76Å; H228-Y260 AromaticContact NE2-CE2 3.92Å; H228-M275 HydrophobicContact CB-SD 4.36Å; H228-M275 WeakPolarHBondContact NE2-CG 3.22Å
229	A	93.7	Very high	97.1	Very high	60 Å²	60	43.6 Å²	43.6	50%	0.496	23%	0.226	S	C	.	.	S	Bend	trans	-111.1	-8.2	175.4	0	0	0	0	0	112.8	K185 C186	K185-A229 WeakPolarHBondContact CA-O 3.23Å; C186-A229 PolarHBondContact N-O 3.47Å; C186-A229 VanDerWaalsContact N-O 3.1Å
230	Y	96.3	Very high	97	Very high	57 Å²	57	41.6 Å²	41.6	22%	0.224	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.6	-177.3	-66	-80.5	0	0	0	110.4	K130 Q171 M184 K185 C186	K130-Y230 HydrophobicContact CD-CD1 4.06Å; K130-Y230 HydrophobicContact CD-CD2 4.25Å; K130-Y230 HydrophobicContact CD-CE1 3.62Å; K130-Y230 HydrophobicContact CD-CE2 3.88Å; K130-Y230 HydrophobicContact CD-CG 4.33Å; K130-Y230 HydrophobicContact CG-CD1 4.42Å; K130-Y230 HydrophobicContact CG-CD2 3.76Å; K130-Y230 HydrophobicContact CG-CE1 4.21Å; K130-Y230 HydrophobicContact CG-CE2 3.54Å; K130-Y230 HydrophobicContact CG-CG 4.19Å; Q171-Y230 PolarHBondContact NE2-O 3.32Å; M184-Y230 CarbonylContact O-C 3.57Å; M184-Y230 VanDerWaalsContact O-CA 3.23Å; M184-Y230 WeakPolarHBondContact O-CA 3.47Å; K185-Y230 HydrophobicContact CB-CE1 4.47Å; K185-Y230 HydrophobicContact CD-CE1 4.4Å; K185-Y230 HydrophobicContact CG-CD1 3.86Å; K185-Y230 HydrophobicContact CG-CE1 3.38Å; C186-Y230 VanDerWaalsContact SG-C 3.56Å
231	C	97.3	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.9	-175.7	-67.5	0	0	0	0	110.9	M184 C186 H228 Y260	M184-C231 PolarHBondContact N-O 3.47Å; M184-C231 PolarHBondContact O-N 3.45Å; C186-C231 HydrophobicContact CB-CB 3.6Å; C186-C231 WeakPolarHBondContact CB-SG 3.13Å; C186-C231 WeakPolarHBondContact SG-CB 3.42Å; C186-C231 PolarHBondContact SG-N 2.97Å; C186-C231 VanDerWaalsContact SG-N 3.41Å; C186-C231 CovalentContact SG-SG 2.03Å; C186-C231 PolarHBondContact SG-SG 3.13Å; H228-C231 PolarHBondContact CE1-SG 2.66Å; H228-C231 PolarHBondContact ND1-SG 2.96Å; H228-C231 VanDerWaalsContact ND1-SG 3.43Å; C231-Y260 HydrophobicContact CB-CD2 4.3Å; C231-Y260 HydrophobicContact CB-CG 4.01Å
232	L	98.3	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.			trans	-95.6	109.3	163.4	177.4	64.3	0	0	0	108.2	F170 A174 C182 L183 T236 F237 L242 Y260 V261 L264	F170-L232 HydrophobicContact CE1-CB 4Å; F170-L232 HydrophobicContact CE1-CD2 4.22Å; F170-L232 HydrophobicContact CZ-CB 4.38Å; F170-L232 HydrophobicContact CZ-CD2 4.09Å; A174-L232 HydrophobicContact CB-CD2 4.33Å; C182-L232 HydrophobicContact CB-CD1 4.18Å; C182-L232 WeakPolarHBondContact O-CD1 3.41Å; L183-L232 HydrophobicContact CD2-CB 4.22Å; L232-T236 HydrophobicContact CD1-CG2 4.08Å; L232-F237 HydrophobicContact CD1-CB 4.44Å; L232-F237 HydrophobicContact CD2-CB 4.11Å; L232-F237 HydrophobicContact CD2-CD2 4.03Å; L232-F237 HydrophobicContact CG-CB 4.13Å; L232-L242 HydrophobicContact CD1-CD1 4.02Å; L232-L242 HydrophobicContact CD2-CD1 3.67Å; L232-Y260 CarbonylContact O-C 3.52Å; L232-Y260 VanDerWaalsContact O-CA 3.26Å; L232-Y260 WeakPolarHBondContact O-CA 3.47Å; L232-Y260 WeakPolarHBondContact O-CB 3.22Å; L232-V261 HydrophobicContact CB-CB 4.39Å; L232-V261 HydrophobicContact CB-CG2 4.44Å; L232-V261 HydrophobicContact CD2-CB 4.25Å; L232-V261 HydrophobicContact CD2-CG2 3.95Å; L232-V261 HydrophobicContact CG-CB 4.45Å; L232-V261 HydrophobicContact CG-CG2 4.04Å; L232-V261 PolarHBondContact O-N 2.8Å; L232-L264 HydrophobicContact CD2-CD1 4.48Å
233	S	98.1	Very high	96.9	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.028	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-68.6	153.8	175.1	67.4	0	0	0	0	111.1	E235 T236 F237 E259	S233-E235 VanDerWaalsContact C-N 3.27Å; S233-E235 PolarHBondContact O-N 2.87Å; S233-T236 PolarHBondContact O-N 3.33Å; S233-T236 WeakPolarHBondContact OG-CB 3.36Å; S233-T236 PolarHBondContact OG-N 2.95Å; S233-T236 PolarHBondContact OG-OG1 3.26Å; S233-F237 PolarHBondContact O-N 3.15Å; S233-E259 WeakPolarHBondContact CA-O 3.34Å
234	L	97.9	Very high	96.9	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-42.4	174.8	-67.2	-169	0	0	0	111.8	T236 F237 Y238 L248 E259 V261	L234-T236 VanDerWaalsContact C-N 3.32Å; L234-T236 PolarHBondContact O-N 3.02Å; L234-F237 WeakPolarHBondContact O-CB 3.44Å; L234-F237 PolarHBondContact O-N 3.14Å; L234-Y238 HydrophobicContact CB-CE2 4.5Å; L234-Y238 WeakPolarHBondContact O-CD2 3.08Å; L234-Y238 PolarHBondContact O-N 3.34Å; L234-Y238 VanDerWaalsContact O-N 3.16Å; L234-L248 HydrophobicContact CD2-CD1 4.31Å; L234-L248 HydrophobicContact CD2-CD2 3.63Å; L234-E259 HydrophobicContact CD1-CB 4.17Å; L234-E259 HydrophobicContact CD1-CG 3.65Å; L234-E259 WeakPolarHBondContact CD1-OE1 3.33Å; L234-E259 HydrophobicContact CG-CB 4.29Å; L234-E259 HydrophobicContact CG-CG 3.99Å; L234-E259 PolarHBondContact N-O 2.75Å; L234-E259 VanDerWaalsContact N-O 3.16Å; L234-V261 HydrophobicContact CD2-CG2 3.81Å
235	E	97	Very high	96.9	Very high	129 Å²	129	45.4 Å²	45.4	60%	0.603	22%	0.22	S	C	*	.	H	α-helix	trans	-56.4	-46.7	176.1	-173.1	-164.7	142	0	0	111.7	S233 Y238 R239	S233-E235 VanDerWaalsContact C-N 3.27Å; S233-E235 PolarHBondContact O-N 2.87Å; E235-Y238 PolarHBondContact O-N 3.37Å; E235-R239 VanDerWaalsContact O-CB 3.28Å; E235-R239 WeakPolarHBondContact O-CB 3.38Å; E235-R239 PolarHBondContact O-N 3.44Å; E235-R239 IonicContact OE1-CZ 3.54Å; E235-R239 IonicContact OE1-NH1 3.84Å; E235-R239 PolarHBondContact OE1-NH1 2.97Å; E235-R239 IonicContact OE1-NH2 3.45Å
236	T	97.7	Very high	96.9	Very high	13 Å²	13	45.4 Å²	45.4	8%	0.08	22%	0.22	C	C	.	.	H	α-helix	trans	-71.6	-33.1	-179.8	-53.5	0	0	0	0	111.7	C182 L232 S233 L234 Y238 R239 S240	C182-T236 HydrophobicContact CB-CG2 3.91Å; C182-T236 WeakPolarHBondContact O-CG2 3.48Å; L232-T236 HydrophobicContact CD1-CG2 4.08Å; S233-T236 PolarHBondContact O-N 3.33Å; S233-T236 WeakPolarHBondContact OG-CB 3.36Å; S233-T236 PolarHBondContact OG-N 2.95Å; S233-T236 PolarHBondContact OG-OG1 3.26Å; L234-T236 VanDerWaalsContact C-N 3.32Å; L234-T236 PolarHBondContact O-N 3.02Å; T236-Y238 PolarHBondContact O-N 3.3Å; T236-R239 PolarHBondContact O-N 3.47Å; T236-R239 PolarHBondContact OG1-NH2 3.01Å; T236-R239 VanDerWaalsContact OG1-NH2 3.12Å; T236-S240 WeakPolarHBondContact O-CB 3.44Å; T236-S240 PolarHBondContact O-N 3.36Å; T236-S240 PolarHBondContact O-OG 3.12Å
237	F	98.3	Very high	97	Very high	2 Å²	2	46 Å²	46	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-56	-48.3	173.6	170.5	-108	0	0	0	112	L232 S233 L234 L242 N243 L248 V261 L264	L232-F237 HydrophobicContact CD1-CB 4.44Å; L232-F237 HydrophobicContact CD2-CB 4.11Å; L232-F237 HydrophobicContact CD2-CD2 4.03Å; L232-F237 HydrophobicContact CG-CB 4.13Å; S233-F237 PolarHBondContact O-N 3.15Å; L234-F237 WeakPolarHBondContact O-CB 3.44Å; L234-F237 PolarHBondContact O-N 3.14Å; F237-L242 HydrophobicContact CD2-CB 3.44Å; F237-L242 VanDerWaalsContact CD2-CB 3.44Å; F237-L242 HydrophobicContact CD2-CD1 4.25Å; F237-L242 HydrophobicContact CD2-CG 4.5Å; F237-L242 HydrophobicContact CE2-CB 3.61Å; F237-L242 HydrophobicContact CG-CB 4.41Å; F237-L242 WeakPolarHBondContact O-CB 3.13Å; F237-L242 PolarHBondContact O-N 3.31Å; F237-N243 HydrophobicContact CD1-CB 4.37Å; F237-N243 HydrophobicContact CE1-CB 3.66Å; F237-N243 VanDerWaalsContact CZ-CA 3.5Å; F237-N243 HydrophobicContact CZ-CB 3.77Å; F237-L248 HydrophobicContact CE1-CB 3.91Å; F237-L248 HydrophobicContact CE1-CD2 4.47Å; F237-L248 HydrophobicContact CZ-CB 4.09Å; F237-V261 HydrophobicContact CB-CG2 3.98Å; F237-V261 HydrophobicContact CD2-CG2 4.4Å; F237-V261 HydrophobicContact CG-CG2 4.14Å; F237-L264 HydrophobicContact CD2-CD2 4.23Å; F237-L264 HydrophobicContact CE2-CD1 4.46Å; F237-L264 HydrophobicContact CE2-CD2 3.56Å; F237-L264 HydrophobicContact CZ-CD2 4Å
238	Y	97.5	Very high	97.2	Very high	127 Å²	127	45 Å²	45	50%	0.498	22%	0.217	S	C	.	.	H	α-helix	trans	-72.4	-45.6	177	-65.7	-70.1	0	0	0	112.3	L234 E235 T236 S240 H241 N243	L234-Y238 HydrophobicContact CB-CE2 4.5Å; L234-Y238 WeakPolarHBondContact O-CD2 3.08Å; L234-Y238 PolarHBondContact O-N 3.34Å; L234-Y238 VanDerWaalsContact O-N 3.16Å; E235-Y238 PolarHBondContact O-N 3.37Å; T236-Y238 PolarHBondContact O-N 3.3Å; Y238-S240 PolarHBondContact O-N 2.95Å; Y238-H241 PolarHBondContact O-N 2.87Å; Y238-N243 HydrophobicContact CD1-CB 3.87Å; Y238-N243 HydrophobicContact CE1-CB 4.1Å; Y238-N243 PolarHBondContact O-OD1 2.97Å
239	R	97	Very high	97.4	Very high	148 Å²	148	44.1 Å²	44.1	56%	0.558	21%	0.213	S	C	*	.	H	α-helix	trans	-62.5	-30.9	-179.2	-179.1	174.9	60.2	-143.8	-10.1	113.2	E235 T236 H241	E235-R239 VanDerWaalsContact O-CB 3.28Å; E235-R239 WeakPolarHBondContact O-CB 3.38Å; E235-R239 PolarHBondContact O-N 3.44Å; E235-R239 IonicContact OE1-CZ 3.54Å; E235-R239 IonicContact OE1-NH1 3.84Å; E235-R239 PolarHBondContact OE1-NH1 2.97Å; E235-R239 IonicContact OE1-NH2 3.45Å; T236-R239 PolarHBondContact O-N 3.47Å; T236-R239 PolarHBondContact OG1-NH2 3.01Å; T236-R239 VanDerWaalsContact OG1-NH2 3.12Å; R239-H241 VanDerWaalsContact C-N 3.28Å
240	S	96.3	Very high	97.6	Very high	25 Å²	25	41.7 Å²	41.7	18%	0.175	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	12.1	178.5	-65.9	0	0	0	0	113.4	T236 Y238 L242	T236-S240 WeakPolarHBondContact O-CB 3.44Å; T236-S240 PolarHBondContact O-N 3.36Å; T236-S240 PolarHBondContact O-OG 3.12Å; Y238-S240 PolarHBondContact O-N 2.95Å; S240-L242 PolarHBondContact O-N 3.21Å
241	H	95.9	Very high	97.7	Very high	128 Å²	128	39 Å²	39	59%	0.593	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	19.9	178.9	-64.3	-84.5	0	0	0	114.1	Y238 R239 N243 D244	Y238-H241 PolarHBondContact O-N 2.87Å; R239-H241 VanDerWaalsContact C-N 3.28Å; H241-N243 PolarHBondContact O-N 3.49Å; H241-D244 WeakPolarHBondContact CB-OD2 3.37Å; H241-D244 IonicContact CG-OD2 3.55Å; H241-D244 IonicContact ND1-OD2 3.94Å; H241-D244 PolarHBondContact ND1-OD2 2.67Å; H241-D244 WeakPolarHBondContact O-CB 3.49Å; H241-D244 PolarHBondContact O-N 3.41Å; H241-D244 VanDerWaalsContact O-N 3.09Å
242	L	98	Very high	97.7	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-67.3	-26.4	177.6	-74.7	170.5	0	0	0	110.9	A174 T177 L232 F237 S240 D244 F245 Y246	A174-L242 HydrophobicContact CB-CD1 4.21Å; T177-L242 HydrophobicContact CG2-CD2 3.78Å; L232-L242 HydrophobicContact CD1-CD1 4.02Å; L232-L242 HydrophobicContact CD2-CD1 3.67Å; F237-L242 HydrophobicContact CD2-CB 3.44Å; F237-L242 VanDerWaalsContact CD2-CB 3.44Å; F237-L242 HydrophobicContact CD2-CD1 4.25Å; F237-L242 HydrophobicContact CD2-CG 4.5Å; F237-L242 HydrophobicContact CE2-CB 3.61Å; F237-L242 HydrophobicContact CG-CB 4.41Å; F237-L242 WeakPolarHBondContact O-CB 3.13Å; F237-L242 PolarHBondContact O-N 3.31Å; S240-L242 PolarHBondContact O-N 3.21Å; L242-D244 PolarHBondContact O-N 2.89Å; L242-F245 PolarHBondContact O-N 3.05Å; L242-Y246 HydrophobicContact CD2-CD2 4.16Å; L242-Y246 HydrophobicContact CD2-CE2 4.18Å; L242-Y246 WeakPolarHBondContact O-CB 3.29Å; L242-Y246 PolarHBondContact O-N 2.96Å
243	N	97.4	Very high	97.6	Very high	35 Å²	35	46.1 Å²	46.1	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-64.5	-20.8	173.5	65.6	-75.6	0	0	0	113.1	F237 Y238 H241 F245 R267	F237-N243 HydrophobicContact CD1-CB 4.37Å; F237-N243 HydrophobicContact CE1-CB 3.66Å; F237-N243 VanDerWaalsContact CZ-CA 3.5Å; F237-N243 HydrophobicContact CZ-CB 3.77Å; Y238-N243 HydrophobicContact CD1-CB 3.87Å; Y238-N243 HydrophobicContact CE1-CB 4.1Å; Y238-N243 PolarHBondContact O-OD1 2.97Å; H241-N243 PolarHBondContact O-N 3.49Å; N243-F245 VanDerWaalsContact C-N 3.28Å; N243-R267 VanDerWaalsContact O-CZ 3.23Å; N243-R267 PolarHBondContact O-NE 2.78Å; N243-R267 PolarHBondContact O-NH2 3.24Å
244	D	96.8	Very high	97.5	Very high	100 Å²	100	46.5 Å²	46.5	54%	0.535	22%	0.216	S	C	.	.	H	α-helix	trans	-73.4	-28.6	178.1	-61	-20.9	0	0	0	110.5	H241 L242 R267	H241-D244 WeakPolarHBondContact CB-OD2 3.37Å; H241-D244 IonicContact CG-OD2 3.55Å; H241-D244 IonicContact ND1-OD2 3.94Å; H241-D244 PolarHBondContact ND1-OD2 2.67Å; H241-D244 WeakPolarHBondContact O-CB 3.49Å; H241-D244 PolarHBondContact O-N 3.41Å; H241-D244 VanDerWaalsContact O-N 3.09Å; L242-D244 PolarHBondContact O-N 2.89Å; D244-R267 WeakPolarHBondContact O-CD 3.47Å; D244-R267 PolarHBondContact O-NE 2.8Å
245	F	97.4	Very high	97.3	Very high	42 Å²	42	52.9 Å²	52.9	18%	0.184	24%	0.238	C	C	.	.	H	α-helix	trans	-102.1	-35.5	179.4	-170.1	-95.5	0	0	0	113.7	Y146 I150 T177 L242 N243 A266 R267 H269 I271	Y146-F245 WeakPolarHBondContact OH-CE1 3.47Å; Y146-F245 VanDerWaalsContact OH-CZ 3.29Å; Y146-F245 WeakPolarHBondContact OH-CZ 3.3Å; I150-F245 HydrophobicContact CD1-CE2 4.06Å; I150-F245 HydrophobicContact CD1-CZ 3.85Å; I150-F245 HydrophobicContact CG1-CZ 4.42Å; T177-F245 HydrophobicContact CG2-CB 3.9Å; T177-F245 HydrophobicContact CG2-CD1 3.82Å; T177-F245 HydrophobicContact CG2-CG 3.89Å; L242-F245 PolarHBondContact O-N 3.05Å; N243-F245 VanDerWaalsContact C-N 3.28Å; F245-A266 HydrophobicContact CD1-CB 3.93Å; F245-A266 HydrophobicContact CE1-CB 3.42Å; F245-A266 VanDerWaalsContact CE1-CB 3.42Å; F245-A266 HydrophobicContact CZ-CB 3.98Å; F245-A266 CarbonylContact O-C 3.57Å; F245-A266 WeakPolarHBondContact O-CA 3.47Å; F245-R267 WeakPolarHBondContact O-CG 3.25Å; F245-R267 PolarHBondContact O-N 2.8Å; F245-H269 AromaticContact CE2-CE1 3.72Å; F245-H269 AromaticContact CE2-ND1 3.37Å; F245-H269 WeakPolarHBondContact CE2-ND1 3.37Å; F245-H269 HydrophobicContact CZ-CB 4.26Å; F245-H269 AromaticContact CZ-CG 3.98Å; F245-H269 AromaticContact CZ-ND1 3.49Å; F245-H269 WeakPolarHBondContact CZ-ND1 2.95Å; F245-I271 HydrophobicContact CE1-CD1 4.23Å; F245-I271 HydrophobicContact CZ-CD1 4.12Å
246	Y	98.4	Very high	97.2	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.3	-175.8	-66.5	-74.2	0	0	0	113	T177 L242 L264 E265 A266 I271	T177-Y246 HydrophobicContact CG2-CD2 4.28Å; T177-Y246 HydrophobicContact CG2-CE2 3.65Å; T177-Y246 VanDerWaalsContact OG1-CE2 3.3Å; T177-Y246 WeakPolarHBondContact OG1-CE2 3.3Å; T177-Y246 PolarHBondContact OG1-OH 3.16Å; L242-Y246 HydrophobicContact CD2-CD2 4.16Å; L242-Y246 HydrophobicContact CD2-CE2 4.18Å; L242-Y246 WeakPolarHBondContact O-CB 3.29Å; L242-Y246 PolarHBondContact O-N 2.96Å; Y246-L264 HydrophobicContact CD1-CB 3.92Å; Y246-L264 HydrophobicContact CD2-CD1 4.21Å; Y246-L264 HydrophobicContact CG-CB 4.15Å; Y246-L264 HydrophobicContact CG-CD1 4.17Å; Y246-E265 CarbonylContact C-O 3.52Å; Y246-E265 WeakPolarHBondContact CA-O 3.12Å; Y246-A266 HydrophobicContact CD1-CB 4Å; Y246-A266 HydrophobicContact CE1-CB 3.9Å; Y246-I271 HydrophobicContact CE1-CG2 4.06Å
247	V	98.1	Very high	97.1	Very high	11 Å²	11	53.6 Å²	53.6	7%	0.067	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.2	162.5	-176.7	0	0	0	0	108.4	Y52 V199 L249 L264 E265 R267	Y52-V247 HydrophobicContact CE1-CG2 4.25Å; Y52-V247 WeakPolarHBondContact OH-CG2 3.18Å; V199-V247 HydrophobicContact CB-CG1 4.39Å; V199-V247 HydrophobicContact CG1-CG1 4.49Å; V199-V247 HydrophobicContact CG2-CG1 4.27Å; V247-L249 HydrophobicContact CG1-CD2 4.24Å; V247-L249 PolarHBondContact O-N 3.17Å; V247-L264 WeakPolarHBondContact O-CA 3.34Å; V247-E265 HydrophobicContact CB-CG 4.14Å; V247-E265 PolarHBondContact N-O 2.78Å; V247-E265 PolarHBondContact O-N 3.33Å; V247-R267 HydrophobicContact CG2-CG 3.69Å
248	L	98.5	Very high	97	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	110.4	171.5	177.2	60.3	0	0	0	109.7	K198 L234 F237 V261 L264	K198-L248 HydrophobicContact CB-CB 4.46Å; K198-L248 HydrophobicContact CB-CD2 4.04Å; K198-L248 HydrophobicContact CB-CG 3.75Å; K198-L248 WeakPolarHBondContact CB-O 3.3Å; K198-L248 HydrophobicContact CD-CD2 4.4Å; K198-L248 HydrophobicContact CG-CD2 3.8Å; K198-L248 HydrophobicContact CG-CG 3.82Å; L234-L248 HydrophobicContact CD2-CD1 4.31Å; L234-L248 HydrophobicContact CD2-CD2 3.63Å; F237-L248 HydrophobicContact CE1-CB 3.91Å; F237-L248 HydrophobicContact CE1-CD2 4.47Å; F237-L248 HydrophobicContact CZ-CB 4.09Å; L248-V261 HydrophobicContact CD1-CB 4.15Å; L248-V261 HydrophobicContact CD1-CG1 3.6Å; L248-V261 HydrophobicContact CD1-CG2 3.86Å; L248-L264 HydrophobicContact CD1-CD2 4.23Å
249	L	98.6	Very high	97	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-46.6	-178.3	-61.9	-176	0	0	0	112.2	L197 K198 V199 S204 L206 L207 V247 G263 E265	L197-L249 WeakPolarHBondContact CA-O 3.29Å; K198-L249 PolarHBondContact N-O 3.3Å; V199-L249 HydrophobicContact CG1-CD2 3.75Å; S204-L249 WeakPolarHBondContact OG-CD2 3.18Å; L206-L249 HydrophobicContact CB-CD1 4.17Å; L206-L249 HydrophobicContact CD2-CD1 3.78Å; L207-L249 HydrophobicContact CD1-CB 4.24Å; L207-L249 HydrophobicContact CD1-CD2 4.11Å; L207-L249 HydrophobicContact CG-CD2 4.36Å; V247-L249 HydrophobicContact CG1-CD2 4.24Å; V247-L249 PolarHBondContact O-N 3.17Å; L249-G263 WeakPolarHBondContact CB-O 3.44Å; L249-G263 PolarHBondContact N-O 2.88Å; L249-E265 HydrophobicContact CD1-CB 4.07Å; L249-E265 HydrophobicContact CD1-CG 4.16Å; L249-E265 HydrophobicContact CD2-CG 3.81Å; L249-E265 HydrophobicContact CG-CG 4.2Å
250	A	98.5	Very high	97.1	Very high	8 Å²	8	44.8 Å²	44.8	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	154.6	-175.1	0	0	0	0	0	112.4	A195 T196 L197 V262 G263	A195-A250 HydrophobicContact CB-CB 4.05Å; T196-A250 CarbonylContact O-C 3.58Å; T196-A250 WeakPolarHBondContact O-CA 3.38Å; L197-A250 HydrophobicContact CD2-CB 4.18Å; A250-V262 HydrophobicContact CB-CB 4.29Å; A250-V262 PolarHBondContact O-N 2.58Å; A250-G263 PolarHBondContact N-O 3.2Å; A250-G263 PolarHBondContact O-N 3.49Å
251	S	98.5	Very high	97.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	169.2	172	71.4	0	0	0	0	112.1	T196 K198 E259 Y260	T196-S251 PolarHBondContact N-O 3.17Å; T196-S251 PolarHBondContact O-N 2.88Å; K198-S251 WeakPolarHBondContact CE-OG 3.38Å; S251-E259 WeakPolarHBondContact CB-OE1 3.34Å; S251-E259 PolarHBondContact OG-OE1 3.04Å; S251-Y260 CarbonylContact C-O 3.6Å; S251-Y260 WeakPolarHBondContact CA-O 3.27Å; S251-Y260 VanDerWaalsContact CB-O 3.24Å; S251-Y260 WeakPolarHBondContact CB-O 3.2Å
252	N	97.2	Very high	97.3	Very high	20 Å²	20	37.8 Å²	37.8	11%	0.107	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	170.2	167.6	-174.5	-83.9	0	0	0	109	S194 E259 Y260 V262	S194-N252 PolarHBondContact O-ND2 3.38Å; N252-E259 CarbonylContact O-C 3.37Å; N252-E259 WeakPolarHBondContact O-CA 3.3Å; N252-Y260 HydrophobicContact CB-CE1 4.05Å; N252-Y260 HydrophobicContact CB-CE2 4.17Å; N252-Y260 PolarHBondContact N-O 3.24Å; N252-Y260 VanDerWaalsContact O-CD1 3.26Å; N252-Y260 WeakPolarHBondContact O-CD1 3.48Å; N252-Y260 PolarHBondContact O-N 3.39Å; N252-Y260 PolarHBondContact OD1-OH 3.3Å; N252-V262 HydrophobicContact CB-CG2 3.54Å
253	K	96.9	Very high	97.4	Very high	129 Å²	129	37.8 Å²	37.8	56%	0.561	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.7	178.4	-67.8	-175.9	178.9	-176.3	0	110.5	L258 E259	K253-L258 WeakPolarHBondContact CA-O 3.31Å; K253-E259 WeakPolarHBondContact CE-OE2 3.43Å; K253-E259 HydrophobicContact CG-CB 4.02Å; K253-E259 HydrophobicContact CG-CG 4.03Å
254	D	95.4	Very high	97.4	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.07	18%	0.184	C	C	.	.			trans	-73.9	179.1	172.6	86	-3.9	0	0	0	111.4	C186 H187 N256 G257 L258 Y260	C186-D254 HydrophobicContact CB-CB 4.49Å; H187-D254 IonicContact CD2-OD2 2.69Å; H187-D254 PolarHBondContact N-OD2 3.03Å; D254-N256 PolarHBondContact O-N 3.14Å; D254-N256 VanDerWaalsContact O-N 3.16Å; D254-N256 WeakPolarHBondContact OD1-CA 3.43Å; D254-N256 PolarHBondContact OD1-N 3.09Å; D254-G257 PolarHBondContact O-N 2.87Å; D254-G257 PolarHBondContact OD1-N 3.48Å; D254-G257 VanDerWaalsContact OD1-N 3.09Å; D254-L258 PolarHBondContact N-O 2.7Å; D254-L258 WeakPolarHBondContact OD1-CB 3.32Å; D254-L258 PolarHBondContact OD1-N 2.92Å; D254-Y260 HydrophobicContact CB-CD1 4.46Å; D254-Y260 HydrophobicContact CB-CE1 4.23Å
255	R	94.3	Very high	97.5	Very high	160 Å²	160	31.4 Å²	31.4	60%	0.604	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.7	-178.5	-72.9	-178.6	165.2	177.5	-0.8	115.1	H187	H187-R255 HydrophobicContact CB-CB 4.31Å; H187-R255 PolarHBondContact O-N 3.49Å
256	N	95	Very high	97.5	Very high	112 Å²	112	29.4 Å²	29.4	60%	0.599	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	5	179	-64.3	-7.3	0	0	0	111.6	H187 D254 L258	H187-N256 PolarHBondContact CD2-ND2 3.18Å; H187-N256 PolarHBondContact NE2-ND2 2.93Å; D254-N256 PolarHBondContact O-N 3.14Å; D254-N256 VanDerWaalsContact O-N 3.16Å; D254-N256 WeakPolarHBondContact OD1-CA 3.43Å; D254-N256 PolarHBondContact OD1-N 3.09Å; N256-L258 VanDerWaalsContact C-N 3.35Å
257	G	95.4	Very high	97.4	Very high	45 Å²	45	33.1 Å²	33.1	46%	0.464	16%	0.164	S	C	.	.			trans	83.3	6.4	179.7	0	0	0	0	0	114.4	D254 E259	D254-G257 PolarHBondContact O-N 2.87Å; D254-G257 PolarHBondContact OD1-N 3.48Å; D254-G257 VanDerWaalsContact OD1-N 3.09Å; G257-E259 PolarHBondContact O-N 2.95Å
258	L	96.4	Very high	97.1	Very high	44 Å²	44	36 Å²	36	23%	0.23	18%	0.179	C	C	.	.			trans	-65.9	116.6	173.3	175.3	69	0	0	0	108.9	M184 C186 K253 D254 N256	M184-L258 HydrophobicContact CE-CD1 4.13Å; M184-L258 HydrophobicContact CE-CD2 3.68Å; M184-L258 HydrophobicContact CG-CD2 4.25Å; M184-L258 HydrophobicContact SD-CD1 4.03Å; M184-L258 HydrophobicContact SD-CD2 3.78Å; C186-L258 HydrophobicContact CB-CD2 4.05Å; K253-L258 WeakPolarHBondContact CA-O 3.31Å; D254-L258 PolarHBondContact N-O 2.7Å; D254-L258 WeakPolarHBondContact OD1-CB 3.32Å; D254-L258 PolarHBondContact OD1-N 2.92Å; N256-L258 VanDerWaalsContact C-N 3.35Å
259	E	97.9	Very high	97	Very high	47 Å²	47	36 Å²	36	22%	0.22	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.2	174.8	-163.8	171.1	170.2	0	0	110.8	K198 S233 L234 S251 N252 K253 G257	K198-E259 VanDerWaalsContact CE-OE1 3.24Å; K198-E259 WeakPolarHBondContact CE-OE1 3.46Å; K198-E259 IonicContact NZ-OE1 3.8Å; K198-E259 PolarHBondContact NZ-OE1 3.4Å; S233-E259 WeakPolarHBondContact CA-O 3.34Å; L234-E259 HydrophobicContact CD1-CB 4.17Å; L234-E259 HydrophobicContact CD1-CG 3.65Å; L234-E259 WeakPolarHBondContact CD1-OE1 3.33Å; L234-E259 HydrophobicContact CG-CB 4.29Å; L234-E259 HydrophobicContact CG-CG 3.99Å; L234-E259 PolarHBondContact N-O 2.75Å; L234-E259 VanDerWaalsContact N-O 3.16Å; S251-E259 WeakPolarHBondContact CB-OE1 3.34Å; S251-E259 PolarHBondContact OG-OE1 3.04Å; N252-E259 CarbonylContact O-C 3.37Å; N252-E259 WeakPolarHBondContact O-CA 3.3Å; K253-E259 WeakPolarHBondContact CE-OE2 3.43Å; K253-E259 HydrophobicContact CG-CB 4.02Å; K253-E259 HydrophobicContact CG-CG 4.03Å; G257-E259 PolarHBondContact O-N 2.95Å
260	Y	98.2	Very high	96.9	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.4	-176.5	64.8	-86.6	0	0	0	112.3	H226 H228 C231 L232 S251 N252 D254 V262 M275	H226-Y260 AromaticContact CE1-CE2 3.84Å; H226-Y260 AromaticContact CE1-CZ 3.95Å; H226-Y260 PolarHBondContact CE1-OH 3.44Å; H226-Y260 AromaticContact ND1-CE2 3.87Å; H226-Y260 AromaticContact ND1-CZ 3.79Å; H226-Y260 PolarHBondContact ND1-OH 3.45Å; H228-Y260 AromaticContact CE1-CE2 3.76Å; H228-Y260 AromaticContact NE2-CE2 3.92Å; C231-Y260 HydrophobicContact CB-CD2 4.3Å; C231-Y260 HydrophobicContact CB-CG 4.01Å; L232-Y260 CarbonylContact O-C 3.52Å; L232-Y260 VanDerWaalsContact O-CA 3.26Å; L232-Y260 WeakPolarHBondContact O-CA 3.47Å; L232-Y260 WeakPolarHBondContact O-CB 3.22Å; S251-Y260 CarbonylContact C-O 3.6Å; S251-Y260 WeakPolarHBondContact CA-O 3.27Å; S251-Y260 VanDerWaalsContact CB-O 3.24Å; S251-Y260 WeakPolarHBondContact CB-O 3.2Å; N252-Y260 HydrophobicContact CB-CE1 4.05Å; N252-Y260 HydrophobicContact CB-CE2 4.17Å; N252-Y260 PolarHBondContact N-O 3.24Å; N252-Y260 VanDerWaalsContact O-CD1 3.26Å; N252-Y260 WeakPolarHBondContact O-CD1 3.48Å; N252-Y260 PolarHBondContact O-N 3.39Å; N252-Y260 PolarHBondContact OD1-OH 3.3Å; D254-Y260 HydrophobicContact CB-CD1 4.46Å; D254-Y260 HydrophobicContact CB-CE1 4.23Å; Y260-V262 HydrophobicContact CD2-CG2 4.1Å; Y260-V262 HydrophobicContact CE2-CG2 3.71Å; Y260-M275 HydrophobicContact CE2-CG 4.46Å
261	V	98.7	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.3	178.9	-179.5	0	0	0	0	110.5	F170 L232 L234 F237 L248 L264	F170-V261 HydrophobicContact CE2-CG1 3.73Å; F170-V261 HydrophobicContact CZ-CB 3.85Å; F170-V261 HydrophobicContact CZ-CG1 3.49Å; F170-V261 VanDerWaalsContact CZ-CG1 3.49Å; L232-V261 HydrophobicContact CB-CB 4.39Å; L232-V261 HydrophobicContact CB-CG2 4.44Å; L232-V261 HydrophobicContact CD2-CB 4.25Å; L232-V261 HydrophobicContact CD2-CG2 3.95Å; L232-V261 HydrophobicContact CG-CB 4.45Å; L232-V261 HydrophobicContact CG-CG2 4.04Å; L232-V261 PolarHBondContact O-N 2.8Å; L234-V261 HydrophobicContact CD2-CG2 3.81Å; F237-V261 HydrophobicContact CB-CG2 3.98Å; F237-V261 HydrophobicContact CD2-CG2 4.4Å; F237-V261 HydrophobicContact CG-CG2 4.14Å; L248-V261 HydrophobicContact CD1-CB 4.15Å; L248-V261 HydrophobicContact CD1-CG1 3.6Å; L248-V261 HydrophobicContact CD1-CG2 3.86Å; V261-L264 HydrophobicContact CG1-CD1 4.13Å; V261-L264 HydrophobicContact CG1-CD2 3.61Å; V261-L264 HydrophobicContact CG1-CG 3.61Å
262	V	98.4	Very high	96.9	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-30.5	176.9	173.6	0	0	0	0	112.2	A195 A250 N252 Y260 L274 M275	A195-V262 HydrophobicContact CB-CG1 4.36Å; A250-V262 HydrophobicContact CB-CB 4.29Å; A250-V262 PolarHBondContact O-N 2.58Å; N252-V262 HydrophobicContact CB-CG2 3.54Å; Y260-V262 HydrophobicContact CD2-CG2 4.1Å; Y260-V262 HydrophobicContact CE2-CG2 3.71Å; V262-L274 CarbonylContact O-C 3.56Å; V262-L274 WeakPolarHBondContact O-CA 3.34Å; V262-M275 PolarHBondContact O-N 2.87Å
263	G	98.7	Very high	97	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	137.5	179.6	0	0	0	0	0	112.6	L249 A250 A273	L249-G263 WeakPolarHBondContact CB-O 3.44Å; L249-G263 PolarHBondContact N-O 2.88Å; A250-G263 PolarHBondContact N-O 3.2Å; A250-G263 PolarHBondContact O-N 3.49Å; G263-A273 CarbonylContact C-O 3.53Å; G263-A273 WeakPolarHBondContact CA-O 3.47Å
264	L	98.7	Very high	97.1	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.8	173.2	-63.5	173.9	0	0	0	109.7	F170 L232 F237 Y246 V247 L248 V261 A273	F170-L264 HydrophobicContact CE2-CB 4.39Å; F170-L264 HydrophobicContact CE2-CD1 3.65Å; F170-L264 HydrophobicContact CE2-CG 3.74Å; F170-L264 HydrophobicContact CZ-CD1 3.68Å; F170-L264 HydrophobicContact CZ-CG 4.13Å; L232-L264 HydrophobicContact CD2-CD1 4.48Å; F237-L264 HydrophobicContact CD2-CD2 4.23Å; F237-L264 HydrophobicContact CE2-CD1 4.46Å; F237-L264 HydrophobicContact CE2-CD2 3.56Å; F237-L264 HydrophobicContact CZ-CD2 4Å; Y246-L264 HydrophobicContact CD1-CB 3.92Å; Y246-L264 HydrophobicContact CD2-CD1 4.21Å; Y246-L264 HydrophobicContact CG-CB 4.15Å; Y246-L264 HydrophobicContact CG-CD1 4.17Å; V247-L264 WeakPolarHBondContact O-CA 3.34Å; L248-L264 HydrophobicContact CD1-CD2 4.23Å; V261-L264 HydrophobicContact CG1-CD1 4.13Å; V261-L264 HydrophobicContact CG1-CD2 3.61Å; V261-L264 HydrophobicContact CG1-CG 3.61Å; L264-A273 HydrophobicContact CB-CB 4.36Å; L264-A273 PolarHBondContact N-O 2.83Å; L264-A273 PolarHBondContact O-N 3.26Å
265	E	98.4	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.1	158.7	69	-177.6	-151.6	0	0	109.4	S204 R205 L206 Y246 V247 L249 I271 F272	S204-E265 WeakPolarHBondContact CA-OE1 3.37Å; S204-E265 WeakPolarHBondContact CB-OE1 3.34Å; S204-E265 VanDerWaalsContact OG-CD 3.24Å; S204-E265 PolarHBondContact OG-OE1 3.47Å; S204-E265 PolarHBondContact OG-OE2 2.92Å; R205-E265 PolarHBondContact N-OE1 2.6Å; R205-E265 PolarHBondContact N-OE2 2.99Å; R205-E265 VanDerWaalsContact N-OE2 3.12Å; L206-E265 PolarHBondContact N-OE2 3.44Å; Y246-E265 CarbonylContact C-O 3.52Å; Y246-E265 WeakPolarHBondContact CA-O 3.12Å; V247-E265 HydrophobicContact CB-CG 4.14Å; V247-E265 PolarHBondContact N-O 2.78Å; V247-E265 PolarHBondContact O-N 3.33Å; L249-E265 HydrophobicContact CD1-CB 4.07Å; L249-E265 HydrophobicContact CD1-CG 4.16Å; L249-E265 HydrophobicContact CD2-CG 3.81Å; L249-E265 HydrophobicContact CG-CG 4.2Å; E265-I271 CarbonylContact C-O 3.56Å; E265-I271 WeakPolarHBondContact CA-O 3.47Å; E265-F272 HydrophobicContact CB-CD1 3.64Å; E265-F272 HydrophobicContact CB-CE1 3.98Å
266	A	98.2	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	147.3	177	0	0	0	0	0	109.4	R205 F245 Y246 H269 I271	R205-A266 PolarHBondContact NH2-O 3.23Å; F245-A266 HydrophobicContact CD1-CB 3.93Å; F245-A266 HydrophobicContact CE1-CB 3.42Å; F245-A266 VanDerWaalsContact CE1-CB 3.42Å; F245-A266 HydrophobicContact CZ-CB 3.98Å; F245-A266 CarbonylContact O-C 3.57Å; F245-A266 WeakPolarHBondContact O-CA 3.47Å; Y246-A266 HydrophobicContact CD1-CB 4Å; Y246-A266 HydrophobicContact CE1-CB 3.9Å; A266-H269 HydrophobicContact CB-CB 4.01Å; A266-H269 WeakPolarHBondContact CB-O 3.33Å; A266-I271 HydrophobicContact CB-CB 3.89Å; A266-I271 PolarHBondContact N-O 3.03Å
267	R	95.3	Very high	97.5	Very high	78 Å²	78	16.4 Å²	16.4	29%	0.294	9%	0.091	S	C	.	.	S	Bend	trans	-60.5	-58.2	-177.3	-70.1	173.8	-176.7	-74.7	-1	110.4	Y52 R205 N243 D244 F245 V247	Y52-R267 WeakPolarHBondContact CD1-O 3.34Å; R205-R267 PolarHBondContact NH1-O 3.09Å; N243-R267 VanDerWaalsContact O-CZ 3.23Å; N243-R267 PolarHBondContact O-NE 2.78Å; N243-R267 PolarHBondContact O-NH2 3.24Å; D244-R267 WeakPolarHBondContact O-CD 3.47Å; D244-R267 PolarHBondContact O-NE 2.8Å; F245-R267 WeakPolarHBondContact O-CG 3.25Å; F245-R267 PolarHBondContact O-N 2.8Å; V247-R267 HydrophobicContact CG2-CG 3.69Å
268	D	92.3	Very high	97.6	Very high	72 Å²	72	14.6 Å²	14.6	39%	0.385	7%	0.07	S	C	.	.	S	Bend	trans	-102.9	-23.4	-173.9	-53.8	-61.5	0	0	0	113.7	F153	F153-D268 WeakPolarHBondContact CE1-O 3.3Å; F153-D268 WeakPolarHBondContact CZ-O 3.25Å
269	H	95.8	Very high	97.7	Very high	16 Å²	16	12.6 Å²	12.6	7%	0.074	6%	0.06	C	C	.	.	S	Bend	trans	-99.2	152.2	-172	-55.6	86	0	0	0	112	F153 N154 R205 F245 A266 I271	F153-H269 AromaticContact CD1-CD2 3.6Å; F153-H269 AromaticContact CD1-NE2 3.94Å; F153-H269 AromaticContact CG-CD2 3.92Å; N154-H269 PolarHBondContact ND2-NE2 3.09Å; R205-H269 PolarHBondContact NH2-O 3.32Å; F245-H269 AromaticContact CE2-CE1 3.72Å; F245-H269 AromaticContact CE2-ND1 3.37Å; F245-H269 WeakPolarHBondContact CE2-ND1 3.37Å; F245-H269 HydrophobicContact CZ-CB 4.26Å; F245-H269 AromaticContact CZ-CG 3.98Å; F245-H269 AromaticContact CZ-ND1 3.49Å; F245-H269 WeakPolarHBondContact CZ-ND1 2.95Å; A266-H269 HydrophobicContact CB-CB 4.01Å; A266-H269 WeakPolarHBondContact CB-O 3.33Å; H269-I271 HydrophobicContact CB-CD1 4.07Å; H269-I271 HydrophobicContact CB-CG1 4.01Å; H269-I271 PolarHBondContact O-N 3.18Å
270	P	96.6	Very high	97.6	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.026	5%	0.054	C	C	.	.	S	Bend	trans	-77.2	54	177.5	33	-37.3	0	0	0	113.3	Y160 P162 I163 F272	Y160-P270 HydrophobicContact CD1-CB 4.08Å; Y160-P270 HydrophobicContact CD1-CG 4.15Å; Y160-P270 HydrophobicContact CD2-CG 4.38Å; Y160-P270 HydrophobicContact CE1-CB 3.42Å; Y160-P270 VanDerWaalsContact CE1-CB 3.42Å; Y160-P270 HydrophobicContact CE1-CG 3.99Å; Y160-P270 HydrophobicContact CE2-CB 4.02Å; Y160-P270 HydrophobicContact CE2-CG 4.25Å; Y160-P270 HydrophobicContact CG-CG 4.36Å; Y160-P270 VanDerWaalsContact CZ-CB 3.41Å; Y160-P270 WeakPolarHBondContact OH-CB 3.44Å; P162-P270 CarbonylContact C-O 3.52Å; P162-P270 WeakPolarHBondContact CA-O 3.42Å; P162-P270 HydrophobicContact CB-CB 4.09Å; P162-P270 HydrophobicContact CG-CB 4.15Å; P162-P270 HydrophobicContact CG-CG 4.49Å; I163-P270 PolarHBondContact N-O 2.92Å; P270-F272 VanDerWaalsContact C-CE2 3.47Å; P270-F272 HydrophobicContact CB-CE2 4.21Å; P270-F272 WeakPolarHBondContact O-CE2 3.46Å
271	I	98.7	Very high	97.5	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.4	-177	-55.2	-179.4	0	0	0	108.5	Y146 I150 I163 L173 F245 Y246 E265 A266 H269	Y146-I271 HydrophobicContact CD2-CD1 3.9Å; Y146-I271 HydrophobicContact CE2-CD1 3.52Å; Y146-I271 HydrophobicContact CE2-CG2 4.41Å; I150-I271 HydrophobicContact CG1-CD1 4.31Å; I163-I271 HydrophobicContact CB-CG1 4.25Å; I163-I271 HydrophobicContact CB-CG2 4.27Å; I163-I271 HydrophobicContact CD1-CD1 4.42Å; I163-I271 HydrophobicContact CG1-CG1 4.46Å; I163-I271 WeakPolarHBondContact O-CA 3.49Å; L173-I271 HydrophobicContact CD1-CG2 4.05Å; L173-I271 HydrophobicContact CD2-CG2 4.22Å; F245-I271 HydrophobicContact CE1-CD1 4.23Å; F245-I271 HydrophobicContact CZ-CD1 4.12Å; Y246-I271 HydrophobicContact CE1-CG2 4.06Å; E265-I271 CarbonylContact C-O 3.56Å; E265-I271 WeakPolarHBondContact CA-O 3.47Å; A266-I271 HydrophobicContact CB-CB 3.89Å; A266-I271 PolarHBondContact N-O 3.03Å; H269-I271 HydrophobicContact CB-CD1 4.07Å; H269-I271 HydrophobicContact CB-CG1 4.01Å; H269-I271 PolarHBondContact O-N 3.18Å
272	F	98.8	Very high	97.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140	-174.6	-49.8	-82.7	0	0	0	109.7	I163 W164 G165 R205 L206 E265 P270 F307 E311	I163-F272 PolarHBondContact O-N 2.95Å; W164-F272 CarbonylContact C-O 3.55Å; W164-F272 WeakPolarHBondContact CA-O 3.46Å; W164-F272 HydrophobicContact CE3-CB 3.77Å; W164-F272 HydrophobicContact CE3-CG 4.45Å; W164-F272 HydrophobicContact CZ3-CB 4.03Å; G165-F272 PolarHBondContact N-O 3.32Å; R205-F272 HydrophobicContact CB-CE1 4.24Å; L206-F272 HydrophobicContact CB-CD1 4.24Å; E265-F272 HydrophobicContact CB-CD1 3.64Å; E265-F272 HydrophobicContact CB-CE1 3.98Å; P270-F272 VanDerWaalsContact C-CE2 3.47Å; P270-F272 HydrophobicContact CB-CE2 4.21Å; P270-F272 WeakPolarHBondContact O-CE2 3.46Å; F272-F307 AromaticContact CD1-CE1 3.85Å; F272-F307 HydrophobicContact CD1-CE1 3.85Å; F272-F307 HydrophobicContact CD1-CZ 4.09Å; F272-F307 AromaticContact CD2-CE1 3.95Å; F272-F307 HydrophobicContact CD2-CE1 3.95Å; F272-F307 AromaticContact CE1-CE1 3.71Å; F272-F307 HydrophobicContact CE1-CE1 3.71Å; F272-F307 AromaticContact CE1-CZ 3.48Å; F272-F307 HydrophobicContact CE1-CZ 3.48Å; F272-F307 VanDerWaalsContact CE1-CZ 3.48Å; F272-F307 AromaticContact CE2-CE1 3.8Å; F272-F307 HydrophobicContact CE2-CE1 3.8Å; F272-F307 AromaticContact CE2-CZ 3.95Å; F272-F307 HydrophobicContact CE2-CZ 3.95Å; F272-F307 AromaticContact CG-CE1 3.97Å; F272-F307 HydrophobicContact CG-CE1 3.97Å; F272-F307 AromaticContact CZ-CE1 3.68Å; F272-F307 HydrophobicContact CZ-CE1 3.68Å; F272-F307 AromaticContact CZ-CZ 3.4Å; F272-F307 HydrophobicContact CZ-CZ 3.4Å; F272-E311 HydrophobicContact CE2-CG 4.17Å; F272-E311 HydrophobicContact CZ-CG 4.41Å
273	A	98.9	Very high	97.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	126.9	-179.1	0	0	0	0	0	111	G165 F170 L173 G263 L264	G165-A273 CarbonylContact O-C 3.57Å; G165-A273 VanDerWaalsContact O-CA 3.29Å; G165-A273 WeakPolarHBondContact O-CA 3.45Å; F170-A273 HydrophobicContact CB-CB 4.07Å; F170-A273 HydrophobicContact CD2-CB 3.51Å; F170-A273 HydrophobicContact CE2-CB 4.26Å; F170-A273 HydrophobicContact CG-CB 4.1Å; L173-A273 HydrophobicContact CD1-CB 3.96Å; G263-A273 CarbonylContact C-O 3.53Å; G263-A273 WeakPolarHBondContact CA-O 3.47Å; L264-A273 HydrophobicContact CB-CB 4.36Å; L264-A273 PolarHBondContact N-O 2.83Å; L264-A273 PolarHBondContact O-N 3.26Å
274	L	98.7	Very high	96.8	Very high	17 Å²	17	14.5 Å²	14.5	9%	0.089	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.5	173.6	-63.1	-174.5	0	0	0	110.8	W164 G165 T166 C167 L206 V262 S276 L304	W164-L274 HydrophobicContact CH2-CD1 3.81Å; W164-L274 HydrophobicContact CH2-CG 4.25Å; W164-L274 HydrophobicContact CZ2-CD1 3.64Å; W164-L274 HydrophobicContact CZ2-CG 4.02Å; G165-L274 PolarHBondContact O-N 2.86Å; T166-L274 CarbonylContact C-O 3.49Å; T166-L274 VanDerWaalsContact CA-O 3.3Å; T166-L274 WeakPolarHBondContact CA-O 3.31Å; C167-L274 PolarHBondContact N-O 2.91Å; L206-L274 HydrophobicContact CD2-CD2 4.03Å; L206-L274 HydrophobicContact CD2-CG 4.48Å; V262-L274 CarbonylContact O-C 3.56Å; V262-L274 WeakPolarHBondContact O-CA 3.34Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-L304 HydrophobicContact CD1-CD1 3.72Å; L274-L304 HydrophobicContact CD1-CD2 3.99Å; L274-L304 HydrophobicContact CD1-CG 4.47Å
275	M	98.1	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-74.8	-27.2	174.8	-172.2	58.8	72.7	0	0	112.2	F170 Q171 H228 Y260 V262	F170-M275 HydrophobicContact CD1-CE 3.34Å; F170-M275 HydrophobicContact CD1-SD 4.47Å; F170-M275 HydrophobicContact CE1-CE 3.52Å; F170-M275 HydrophobicContact CG-CE 4.04Å; F170-M275 HydrophobicContact CZ-CE 4.3Å; Q171-M275 HydrophobicContact CG-CE 4.41Å; H228-M275 HydrophobicContact CB-SD 4.36Å; H228-M275 WeakPolarHBondContact NE2-CG 3.22Å; Y260-M275 HydrophobicContact CE2-CG 4.46Å; V262-M275 PolarHBondContact O-N 2.87Å
276	S	97.8	Very high	95.8	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.021	10%	0.098	C	C	.	.	S	Bend	trans	-87	155.3	-174.8	49.3	0	0	0	0	113.7	T166 P225 L274 Q278	T166-S276 WeakPolarHBondContact CG2-O 3.38Å; P225-S276 CarbonylContact O-C 3.59Å; P225-S276 WeakPolarHBondContact O-CA 3.45Å; P225-S276 VanDerWaalsContact O-CB 3.31Å; P225-S276 WeakPolarHBondContact O-CB 3.39Å; L274-S276 VanDerWaalsContact C-N 3.33Å; S276-Q278 PolarHBondContact OG-NE2 3.45Å; S276-Q278 PolarHBondContact OG-OE1 2.89Å
277	H	97.8	Very high	95.1	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.032	13%	0.129	C	C	.	.			trans	-106.9	74.3	-169.6	-76	-87.3	0	0	0	112.9	Y89 C167 P225 E279 K280	Y89-H277 PolarHBondContact OH-CE1 3.04Å; Y89-H277 VanDerWaalsContact OH-CE1 3.23Å; Y89-H277 PolarHBondContact OH-ND1 3.09Å; Y89-H277 VanDerWaalsContact OH-ND1 3.08Å; C167-H277 WeakPolarHBondContact CB-CE1 3.41Å; C167-H277 WeakPolarHBondContact CB-NE2 3.37Å; C167-H277 PolarHBondContact SG-NE2 3.36Å; P225-H277 HydrophobicContact CB-CB 4.21Å; P225-H277 PolarHBondContact O-N 3.01Å; H277-E279 WeakPolarHBondContact CA-OE2 3.48Å; H277-E279 WeakPolarHBondContact CB-OE1 3.35Å; H277-E279 WeakPolarHBondContact CB-OE2 3.3Å; H277-E279 IonicContact CE1-OE1 2.95Å; H277-E279 IonicContact CG-OE1 3.69Å; H277-E279 IonicContact CG-OE2 3.22Å; H277-E279 IonicContact ND1-OE1 3.17Å; H277-E279 PolarHBondContact ND1-OE1 3.22Å; H277-E279 IonicContact ND1-OE2 3.87Å; H277-E279 PolarHBondContact O-N 3.12Å; H277-K280 HydrophobicContact CB-CB 4.37Å; H277-K280 HydrophobicContact CB-CD 3.59Å; H277-K280 HydrophobicContact CB-CG 3.83Å; H277-K280 WeakPolarHBondContact ND1-CE 3.41Å; H277-K280 WeakPolarHBondContact O-CB 3.2Å; H277-K280 PolarHBondContact O-N 2.95Å; H277-K280 VanDerWaalsContact O-N 3.1Å
278	Q	97.6	Very high	94.7	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.037	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.6	-174.3	-85.1	65.7	-78.1	0	0	112.5	P225 S276 K280 V281 L300 S301 L304	P225-Q278 VanDerWaalsContact CD-OE1 3.26Å; S276-Q278 PolarHBondContact OG-NE2 3.45Å; S276-Q278 PolarHBondContact OG-OE1 2.89Å; Q278-K280 PolarHBondContact O-N 3.01Å; Q278-V281 PolarHBondContact O-N 2.82Å; Q278-L300 HydrophobicContact CG-CD2 4.13Å; Q278-L300 HydrophobicContact CG-CG 4.1Å; Q278-S301 VanDerWaalsContact O-CB 3.28Å; Q278-S301 WeakPolarHBondContact O-CB 3.36Å; Q278-S301 PolarHBondContact O-OG 3.35Å; Q278-L304 HydrophobicContact CB-CD1 4.12Å; Q278-L304 HydrophobicContact CG-CD1 3.73Å
279	E	97.5	Very high	94.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-29.2	171.5	82.7	-70.6	174.9	0	0	111.9	S88 Y89 N92 H277 V281 H283	S88-E279 WeakPolarHBondContact OG-CG 3.4Å; Y89-E279 HydrophobicContact CD1-CB 3.99Å; Y89-E279 HydrophobicContact CD1-CG 3.56Å; Y89-E279 HydrophobicContact CE1-CB 4.27Å; Y89-E279 HydrophobicContact CE1-CG 3.51Å; Y89-E279 VanDerWaalsContact CE1-OE1 3.3Å; Y89-E279 WeakPolarHBondContact CE1-OE1 3.08Å; Y89-E279 WeakPolarHBondContact CE1-OE2 3.13Å; Y89-E279 HydrophobicContact CG-CG 4.13Å; Y89-E279 PolarHBondContact OH-OE1 3.14Å; Y89-E279 VanDerWaalsContact OH-OE1 3.06Å; N92-E279 HydrophobicContact CB-CB 3.99Å; H277-E279 WeakPolarHBondContact CA-OE2 3.48Å; H277-E279 WeakPolarHBondContact CB-OE1 3.35Å; H277-E279 WeakPolarHBondContact CB-OE2 3.3Å; H277-E279 IonicContact CE1-OE1 2.95Å; H277-E279 IonicContact CG-OE1 3.69Å; H277-E279 IonicContact CG-OE2 3.22Å; H277-E279 IonicContact ND1-OE1 3.17Å; H277-E279 PolarHBondContact ND1-OE1 3.22Å; H277-E279 IonicContact ND1-OE2 3.87Å; H277-E279 PolarHBondContact O-N 3.12Å; E279-V281 VanDerWaalsContact C-N 3.31Å; E279-V281 PolarHBondContact O-N 3.19Å; E279-H283 WeakPolarHBondContact O-CB 3.45Å; E279-H283 PolarHBondContact O-N 3.16Å
280	K	96.3	Very high	94	Very high	20 Å²	20	39 Å²	39	9%	0.087	18%	0.18	C	C	.	.	H	α-helix	trans	-72	-26.1	-176	-67.3	-176.9	-173.2	-56.7	0	113.2	V227 H277 Q278 C282 T284 F291	V227-K280 HydrophobicContact CG2-CD 4.33Å; H277-K280 HydrophobicContact CB-CB 4.37Å; H277-K280 HydrophobicContact CB-CD 3.59Å; H277-K280 HydrophobicContact CB-CG 3.83Å; H277-K280 WeakPolarHBondContact ND1-CE 3.41Å; H277-K280 WeakPolarHBondContact O-CB 3.2Å; H277-K280 PolarHBondContact O-N 2.95Å; H277-K280 VanDerWaalsContact O-N 3.1Å; Q278-K280 PolarHBondContact O-N 3.01Å; K280-C282 VanDerWaalsContact C-N 3.3Å; K280-C282 PolarHBondContact O-N 3.19Å; K280-T284 HydrophobicContact CB-CG2 4.5Å; K280-T284 HydrophobicContact CG-CG2 4.33Å; K280-T284 PolarHBondContact O-N 3.44Å; K280-F291 HydrophobicContact CB-CD2 3.91Å; K280-F291 HydrophobicContact CB-CE2 3.88Å; K280-F291 HydrophobicContact CD-CD2 4.44Å; K280-F291 HydrophobicContact CD-CE2 3.58Å; K280-F291 HydrophobicContact CD-CZ 3.8Å; K280-F291 HydrophobicContact CG-CE2 4.27Å
281	V	96.7	Very high	93.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-47.1	179.8	-179.7	0	0	0	0	110.2	P225 Q278 E279 R293 A297 V298	P225-V281 HydrophobicContact CG-CG2 3.68Å; Q278-V281 PolarHBondContact O-N 2.82Å; E279-V281 VanDerWaalsContact C-N 3.31Å; E279-V281 PolarHBondContact O-N 3.19Å; V281-R293 HydrophobicContact CG1-CG 4.38Å; V281-R293 PolarHBondContact O-NE 3.29Å; V281-A297 HydrophobicContact CG1-CB 3.76Å; V281-A297 HydrophobicContact CG2-CB 4.27Å; V281-V298 HydrophobicContact CG1-CG2 3.84Å
282	C	94.1	Very high	93.7	Very high	33 Å²	33	42 Å²	42	22%	0.223	20%	0.195	C	C	.	.	H	α-helix	trans	-96	-22.2	-171.9	-59	0	0	0	0	113.8	K280	K280-C282 VanDerWaalsContact C-N 3.3Å; K280-C282 PolarHBondContact O-N 3.19Å
283	H	94	Very high	93.5	Very high	35 Å²	35	45.8 Å²	45.8	16%	0.162	21%	0.209	C	C	.	.	H	α-helix	trans	-133	3.7	-162	-53.6	-54.1	0	0	0	115.7	S88 E279	S88-H283 PolarHBondContact O-CD2 3.5Å; E279-H283 WeakPolarHBondContact O-CB 3.45Å; E279-H283 PolarHBondContact O-N 3.16Å
284	T	92	Very high	93.4	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.025	22%	0.221	C	C	.	.			trans	-120.5	132.9	-179.9	-63.4	0	0	0	0	110.7	K280 N286 R293 D346	K280-T284 HydrophobicContact CB-CG2 4.5Å; K280-T284 HydrophobicContact CG-CG2 4.33Å; K280-T284 PolarHBondContact O-N 3.44Å; T284-N286 HydrophobicContact CG2-CB 4.37Å; T284-R293 PolarHBondContact O-NH2 3.38Å; T284-D346 VanDerWaalsContact CA-OD1 3.27Å; T284-D346 WeakPolarHBondContact CA-OD1 3.48Å; T284-D346 WeakPolarHBondContact CG2-OD1 3.41Å; T284-D346 WeakPolarHBondContact CG2-OD2 3.37Å
285	W	89.6	Confident	93.4	Very high	133 Å²	133	53.6 Å²	53.6	50%	0.504	25%	0.249	S	C	.	.			trans	-134.1	41	-173	-58.5	108.5	0	0	0	111.4	L345 D346	W285-L345 HydrophobicContact CB-CB 3.9Å; W285-L345 HydrophobicContact CB-CD1 4.38Å; W285-D346 PolarHBondContact N-OD1 3.32Å
286	N	86.9	Confident	93.4	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.059	26%	0.258	C	S	.	.			trans	-81.6	119.4	173.6	-170.1	-36.6	0	0	0	110.6	T284 R288 Y289 S344	T284-N286 HydrophobicContact CG2-CB 4.37Å; N286-R288 PolarHBondContact O-N 2.92Å; N286-R288 VanDerWaalsContact O-N 3.08Å; N286-R288 VanDerWaalsContact OD1-CB 3.27Å; N286-R288 WeakPolarHBondContact OD1-CB 3.43Å; N286-R288 WeakPolarHBondContact OD1-CG 3.28Å; N286-R288 PolarHBondContact OD1-N 3.19Å; N286-Y289 HydrophobicContact CB-CD2 3.83Å; N286-Y289 HydrophobicContact CB-CE2 4.28Å; N286-Y289 PolarHBondContact O-N 2.73Å; N286-S344 WeakPolarHBondContact ND2-CB 3.43Å
287	P	84.5	Confident	93.4	Very high	101 Å²	101	55.1 Å²	55.1	66%	0.656	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.7	-176.8	27.2	-35.2	0	0	0	113.8	Y289	P287-Y289 PolarHBondContact O-N 3.08Å
288	R	85.4	Confident	93.5	Very high	187 Å²	187	56.8 Å²	56.8	71%	0.706	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.9	174	-60.9	-179.9	-177.9	167.3	5.4	113	N286 D342	N286-R288 PolarHBondContact O-N 2.92Å; N286-R288 VanDerWaalsContact O-N 3.08Å; N286-R288 VanDerWaalsContact OD1-CB 3.27Å; N286-R288 WeakPolarHBondContact OD1-CB 3.43Å; N286-R288 WeakPolarHBondContact OD1-CG 3.28Å; N286-R288 PolarHBondContact OD1-N 3.19Å; R288-D342 PolarHBondContact NH2-O 3.25Å
289	Y	87.1	Confident	93.5	Very high	74 Å²	74	59.3 Å²	59.3	29%	0.29	28%	0.277	S	S	.	.			trans	-117.2	126.2	-178.2	-54.5	-53.5	0	0	0	111.6	A190 V227 N286 P287 F291	A190-Y289 HydrophobicContact CB-CD1 3.7Å; A190-Y289 HydrophobicContact CB-CE1 3.76Å; V227-Y289 HydrophobicContact CG1-CE1 4.31Å; N286-Y289 HydrophobicContact CB-CD2 3.83Å; N286-Y289 HydrophobicContact CB-CE2 4.28Å; N286-Y289 PolarHBondContact O-N 2.73Å; P287-Y289 PolarHBondContact O-N 3.08Å; Y289-F291 HydrophobicContact CD1-CZ 4.13Å; Y289-F291 HydrophobicContact CD2-CE2 4.01Å; Y289-F291 HydrophobicContact CD2-CZ 4.04Å; Y289-F291 HydrophobicContact CG-CE1 4.46Å; Y289-F291 AromaticContact CG-CE2 3.84Å; Y289-F291 HydrophobicContact CG-CE2 3.84Å; Y289-F291 AromaticContact CG-CZ 3.6Å; Y289-F291 HydrophobicContact CG-CZ 3.6Å
290	Q	87.9	Confident	93.5	Very high	176 Å²	176	59.4 Å²	59.4	82%	0.822	28%	0.277	S	S	*	.			trans	-105.6	84.7	172.1	-66.4	-175.6	0.3	0	0	108.9
291	F	94	Very high	93.6	Very high	10 Å²	10	58.4 Å²	58.4	4%	0.044	27%	0.273	C	S	.	.			trans	-87.3	143.3	172	-56.2	-50.5	0	0	0	110.8	S192 P225 V227 K280 Y289 R293	S192-F291 WeakPolarHBondContact OG-CA 3.43Å; P225-F291 HydrophobicContact CB-CD1 3.6Å; P225-F291 HydrophobicContact CB-CE1 3.86Å; P225-F291 HydrophobicContact CB-CG 3.99Å; P225-F291 HydrophobicContact CB-CZ 4.46Å; P225-F291 HydrophobicContact CG-CB 4.22Å; P225-F291 HydrophobicContact CG-CD1 4.18Å; P225-F291 HydrophobicContact CG-CG 4.17Å; V227-F291 HydrophobicContact CG2-CE1 3.83Å; V227-F291 HydrophobicContact CG2-CZ 3.48Å; V227-F291 VanDerWaalsContact CG2-CZ 3.48Å; K280-F291 HydrophobicContact CB-CD2 3.91Å; K280-F291 HydrophobicContact CB-CE2 3.88Å; K280-F291 HydrophobicContact CD-CD2 4.44Å; K280-F291 HydrophobicContact CD-CE2 3.58Å; K280-F291 HydrophobicContact CD-CZ 3.8Å; K280-F291 HydrophobicContact CG-CE2 4.27Å; Y289-F291 HydrophobicContact CD1-CZ 4.13Å; Y289-F291 HydrophobicContact CD2-CE2 4.01Å; Y289-F291 HydrophobicContact CD2-CZ 4.04Å; Y289-F291 HydrophobicContact CG-CE1 4.46Å; Y289-F291 AromaticContact CG-CE2 3.84Å; Y289-F291 HydrophobicContact CG-CE2 3.84Å; Y289-F291 AromaticContact CG-CZ 3.6Å; Y289-F291 HydrophobicContact CG-CZ 3.6Å; F291-R293 PolarHBondContact O-N 3.43Å; F291-R293 PolarHBondContact O-NH1 3.12Å
292	D	94	Very high	93.7	Very high	58 Å²	58	62.8 Å²	62.8	31%	0.31	29%	0.293	S	S	.	.			trans	-58.2	134	166.4	-171.4	-94.6	0	0	0	110.3	S192 C222 S294 A297	S192-D292 PolarHBondContact OG-N 2.88Å; C222-D292 VanDerWaalsContact O-CB 3.25Å; C222-D292 WeakPolarHBondContact O-CB 3.35Å; D292-S294 WeakPolarHBondContact OD1-CB 3.43Å; D292-S294 PolarHBondContact OD1-N 3.11Å; D292-S294 PolarHBondContact OD1-OG 2.97Å; D292-A297 VanDerWaalsContact OD1-CB 3.3Å; D292-A297 WeakPolarHBondContact OD1-CB 2.93Å
293	R	94.9	Very high	93.9	Very high	80 Å²	80	62.9 Å²	62.9	30%	0.302	29%	0.291	S	S	.	.			trans	-130.7	30.2	178.7	-65.6	-178.3	178.5	79.5	-8.4	110.5	V281 T284 F291	V281-R293 HydrophobicContact CG1-CG 4.38Å; V281-R293 PolarHBondContact O-NE 3.29Å; T284-R293 PolarHBondContact O-NH2 3.38Å; F291-R293 PolarHBondContact O-N 3.43Å; F291-R293 PolarHBondContact O-NH1 3.12Å
294	S	97.2	Very high	94.1	Very high	37 Å²	37	61.4 Å²	61.4	26%	0.259	28%	0.284	S	S	.	.			trans	-59.4	164.7	172.1	65.9	0	0	0	0	110.8	D292 N296 A297 V298	D292-S294 WeakPolarHBondContact OD1-CB 3.43Å; D292-S294 PolarHBondContact OD1-N 3.11Å; D292-S294 PolarHBondContact OD1-OG 2.97Å; S294-N296 PolarHBondContact O-N 2.82Å; S294-A297 PolarHBondContact O-N 2.8Å; S294-A297 VanDerWaalsContact O-N 3.17Å; S294-A297 PolarHBondContact OG-N 2.89Å; S294-A297 VanDerWaalsContact OG-N 3.16Å; S294-V298 WeakPolarHBondContact O-CG2 3.29Å; S294-V298 PolarHBondContact O-N 3.2Å
295	E	98.1	Very high	94.4	Very high	144 Å²	144	61.5 Å²	61.5	67%	0.673	28%	0.284	S	S	*	.	H	α-helix	trans	-54.5	-41.5	173.2	-174.2	-179.9	158.5	0	0	111.5	V298 R299	E295-V298 PolarHBondContact O-N 3.46Å; E295-R299 HydrophobicContact CG-CG 4.38Å; E295-R299 WeakPolarHBondContact O-CB 3.46Å; E295-R299 WeakPolarHBondContact O-CG 3.42Å; E295-R299 PolarHBondContact O-N 3.34Å
296	N	98.5	Very high	94.8	Very high	35 Å²	35	58.1 Å²	58.1	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-41.2	178	-73.3	-20.3	0	0	0	112.3	I214 A217 E221 I223 S294 V298 R299 L300	I214-N296 HydrophobicContact CD1-CB 4.19Å; I214-N296 WeakPolarHBondContact CD1-O 3.31Å; A217-N296 HydrophobicContact CB-CB 3.9Å; E221-N296 VanDerWaalsContact CD-ND2 3.33Å; E221-N296 PolarHBondContact OE1-ND2 2.82Å; E221-N296 PolarHBondContact OE2-ND2 3.19Å; I223-N296 HydrophobicContact CD1-CB 4.42Å; I223-N296 HydrophobicContact CG2-CB 4.5Å; S294-N296 PolarHBondContact O-N 2.82Å; N296-V298 PolarHBondContact O-N 2.71Å; N296-R299 PolarHBondContact O-N 2.71Å; N296-L300 WeakPolarHBondContact O-CB 3.3Å; N296-L300 PolarHBondContact O-N 2.87Å
297	A	98.1	Very high	95.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-41.8	175.2	0	0	0	0	0	112	I223 V281 D292 S294 S301	I223-A297 HydrophobicContact CB-CB 3.94Å; I223-A297 HydrophobicContact CG2-CB 4.11Å; V281-A297 HydrophobicContact CG1-CB 3.76Å; V281-A297 HydrophobicContact CG2-CB 4.27Å; D292-A297 VanDerWaalsContact OD1-CB 3.3Å; D292-A297 WeakPolarHBondContact OD1-CB 2.93Å; S294-A297 PolarHBondContact O-N 2.8Å; S294-A297 VanDerWaalsContact O-N 3.17Å; S294-A297 PolarHBondContact OG-N 2.89Å; S294-A297 VanDerWaalsContact OG-N 3.16Å; A297-S301 PolarHBondContact O-N 2.89Å; A297-S301 VanDerWaalsContact O-N 3.16Å
298	V	98.3	Very high	96	Very high	43 Å²	43	52.8 Å²	52.8	26%	0.261	24%	0.242	S	C	.	.	H	α-helix	trans	-65.5	-46.6	177.5	171.8	0	0	0	0	110.7	V281 S294 E295 N296 L300 S301 Q302	V281-V298 HydrophobicContact CG1-CG2 3.84Å; S294-V298 WeakPolarHBondContact O-CG2 3.29Å; S294-V298 PolarHBondContact O-N 3.2Å; E295-V298 PolarHBondContact O-N 3.46Å; N296-V298 PolarHBondContact O-N 2.71Å; V298-L300 PolarHBondContact O-N 2.99Å; V298-S301 WeakPolarHBondContact O-CB 3.42Å; V298-S301 PolarHBondContact O-N 2.87Å; V298-Q302 WeakPolarHBondContact O-CG 3.31Å; V298-Q302 PolarHBondContact O-N 2.83Å; V298-Q302 VanDerWaalsContact O-N 3.09Å
299	R	98.4	Very high	96.6	Very high	61 Å²	61	44.2 Å²	44.2	23%	0.23	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-42.9	177	-78.6	-179.7	62.2	-167.9	-3.8	111.9	S211 E213 I214 E295 N296 S301 Q302 E303	S211-R299 PolarHBondContact OG-NH2 3.19Å; E213-R299 IonicContact OE2-NH2 2.71Å; I214-R299 HydrophobicContact CD1-CB 3.53Å; I214-R299 HydrophobicContact CG1-CB 4.19Å; E295-R299 HydrophobicContact CG-CG 4.38Å; E295-R299 WeakPolarHBondContact O-CB 3.46Å; E295-R299 WeakPolarHBondContact O-CG 3.42Å; E295-R299 PolarHBondContact O-N 3.34Å; N296-R299 PolarHBondContact O-N 2.71Å; R299-S301 VanDerWaalsContact C-N 3.31Å; R299-S301 PolarHBondContact O-N 3.3Å; R299-Q302 PolarHBondContact O-N 2.97Å; R299-E303 IonicContact NE-OE1 3.76Å; R299-E303 IonicContact NH2-OE1 2.84Å; R299-E303 PolarHBondContact NH2-OE1 3.18Å; R299-E303 WeakPolarHBondContact O-CB 3.3Å; R299-E303 WeakPolarHBondContact O-CG 3.36Å; R299-E303 PolarHBondContact O-N 3.21Å
300	L	98.5	Very high	97	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-45.8	175.2	175.7	60.3	0	0	0	111.3	L210 I214 I218 I223 Q278 N296 V298 Q302 E303 L304	L210-L300 HydrophobicContact CD1-CD1 4.26Å; I214-L300 HydrophobicContact CG2-CB 4Å; I214-L300 HydrophobicContact CG2-CD1 3.56Å; I214-L300 HydrophobicContact CG2-CG 4.34Å; I218-L300 HydrophobicContact CD1-CD1 3.78Å; I218-L300 HydrophobicContact CG1-CD1 4.06Å; I218-L300 HydrophobicContact CG1-CD2 3.97Å; I223-L300 HydrophobicContact CD1-CB 4.37Å; I223-L300 HydrophobicContact CD1-CD2 3.8Å; I223-L300 HydrophobicContact CG1-CD2 4.14Å; Q278-L300 HydrophobicContact CG-CD2 4.13Å; Q278-L300 HydrophobicContact CG-CG 4.1Å; N296-L300 WeakPolarHBondContact O-CB 3.3Å; N296-L300 PolarHBondContact O-N 2.87Å; V298-L300 PolarHBondContact O-N 2.99Å; L300-Q302 VanDerWaalsContact C-N 3.33Å; L300-Q302 PolarHBondContact O-N 3.43Å; L300-E303 PolarHBondContact O-N 2.89Å; L300-L304 HydrophobicContact CD1-CD1 3.75Å; L300-L304 HydrophobicContact CD1-CD2 4.32Å; L300-L304 HydrophobicContact CD1-CG 3.84Å; L300-L304 HydrophobicContact CG-CD1 3.94Å; L300-L304 HydrophobicContact CG-CG 4.42Å; L300-L304 WeakPolarHBondContact O-CB 3.46Å; L300-L304 VanDerWaalsContact O-CG 3.23Å; L300-L304 WeakPolarHBondContact O-CG 3.34Å; L300-L304 PolarHBondContact O-N 3.45Å
301	S	98.3	Very high	97.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-43.9	176.9	-174.5	0	0	0	0	112.6	N92 Q278 A297 V298 R299 M305	N92-S301 PolarHBondContact ND2-OG 3.33Å; Q278-S301 VanDerWaalsContact O-CB 3.28Å; Q278-S301 WeakPolarHBondContact O-CB 3.36Å; Q278-S301 PolarHBondContact O-OG 3.35Å; A297-S301 PolarHBondContact O-N 2.89Å; A297-S301 VanDerWaalsContact O-N 3.16Å; V298-S301 WeakPolarHBondContact O-CB 3.42Å; V298-S301 PolarHBondContact O-N 2.87Å; R299-S301 VanDerWaalsContact C-N 3.31Å; R299-S301 PolarHBondContact O-N 3.3Å; S301-M305 PolarHBondContact O-N 3.31Å
302	Q	98.2	Very high	97.6	Very high	93 Å²	93	37.4 Å²	37.4	44%	0.435	18%	0.176	S	C	.	.	H	α-helix	trans	-67.5	-46.8	178.6	-68.3	170.5	-15	0	0	112.1	V298 R299 L300 L304 M305 N306	V298-Q302 WeakPolarHBondContact O-CG 3.31Å; V298-Q302 PolarHBondContact O-N 2.83Å; V298-Q302 VanDerWaalsContact O-N 3.09Å; R299-Q302 PolarHBondContact O-N 2.97Å; L300-Q302 VanDerWaalsContact C-N 3.33Å; L300-Q302 PolarHBondContact O-N 3.43Å; Q302-L304 PolarHBondContact O-N 2.03Å; Q302-M305 PolarHBondContact O-N 3.41Å; Q302-N306 VanDerWaalsContact O-CB 3.26Å; Q302-N306 WeakPolarHBondContact O-CB 3.49Å; Q302-N306 PolarHBondContact O-N 2.83Å; Q302-N306 PolarHBondContact O-ND2 3.1Å
303	E	98.4	Very high	97.7	Very high	35 Å²	35	35.3 Å²	35.3	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-40.1	-177.2	-71.8	-174.9	-155.6	0	0	112.1	L210 S211 R299 L300 N306 F307	L210-E303 WeakPolarHBondContact CA-OE2 3.17Å; L210-E303 HydrophobicContact CD2-CB 3.71Å; S211-E303 PolarHBondContact N-OE2 3.38Å; S211-E303 PolarHBondContact OG-OE1 2.87Å; S211-E303 PolarHBondContact OG-OE2 2.89Å; R299-E303 IonicContact NE-OE1 3.76Å; R299-E303 IonicContact NH2-OE1 2.84Å; R299-E303 PolarHBondContact NH2-OE1 3.18Å; R299-E303 WeakPolarHBondContact O-CB 3.3Å; R299-E303 WeakPolarHBondContact O-CG 3.36Å; R299-E303 PolarHBondContact O-N 3.21Å; L300-E303 PolarHBondContact O-N 2.89Å; E303-N306 PolarHBondContact O-N 3.44Å; E303-F307 WeakPolarHBondContact O-CB 3.49Å; E303-F307 PolarHBondContact O-N 3.18Å
304	L	98.5	Very high	97.7	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-45	176.2	-69.3	172	0	0	0	112.6	W164 L206 L210 L274 Q278 L300 Q302 F307 F308	W164-L304 HydrophobicContact CH2-CB 4.06Å; W164-L304 HydrophobicContact CH2-CD2 4.16Å; W164-L304 HydrophobicContact CZ2-CB 4.49Å; L206-L304 HydrophobicContact CD1-CD2 3.82Å; L206-L304 HydrophobicContact CD2-CD2 4.4Å; L206-L304 HydrophobicContact CG-CD2 4.31Å; L210-L304 HydrophobicContact CD1-CD2 4.31Å; L210-L304 HydrophobicContact CD2-CD2 4.04Å; L210-L304 HydrophobicContact CD2-CG 4.44Å; L274-L304 HydrophobicContact CD1-CD1 3.72Å; L274-L304 HydrophobicContact CD1-CD2 3.99Å; L274-L304 HydrophobicContact CD1-CG 4.47Å; Q278-L304 HydrophobicContact CB-CD1 4.12Å; Q278-L304 HydrophobicContact CG-CD1 3.73Å; L300-L304 HydrophobicContact CD1-CD1 3.75Å; L300-L304 HydrophobicContact CD1-CD2 4.32Å; L300-L304 HydrophobicContact CD1-CG 3.84Å; L300-L304 HydrophobicContact CG-CD1 3.94Å; L300-L304 HydrophobicContact CG-CG 4.42Å; L300-L304 WeakPolarHBondContact O-CB 3.46Å; L300-L304 VanDerWaalsContact O-CG 3.23Å; L300-L304 WeakPolarHBondContact O-CG 3.34Å; L300-L304 PolarHBondContact O-N 3.45Å; Q302-L304 PolarHBondContact O-N 2.03Å; L304-F307 WeakPolarHBondContact O-CB 3.18Å; L304-F307 PolarHBondContact O-N 3.38Å; L304-F308 PolarHBondContact O-N 3.07Å
305	M	98.2	Very high	97.5	Very high	5 Å²	5	31 Å²	31	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-72.9	-35.7	178.2	-72.8	-51.3	117.5	0	0	112.5	N92 V93 A96 F123 W164 S301 Q302 F307 F308 V309	N92-M305 HydrophobicContact CB-CG 4.23Å; N92-M305 WeakPolarHBondContact OD1-CG 3.39Å; V93-M305 HydrophobicContact CG2-SD 4.21Å; A96-M305 HydrophobicContact CB-CB 3.74Å; F123-M305 HydrophobicContact CE2-CE 4.05Å; F123-M305 HydrophobicContact CE2-SD 3.87Å; W164-M305 HydrophobicContact CD2-CE 4.44Å; W164-M305 HydrophobicContact CH2-CE 4.26Å; W164-M305 HydrophobicContact CZ2-CE 3.6Å; S301-M305 PolarHBondContact O-N 3.31Å; Q302-M305 PolarHBondContact O-N 3.41Å; M305-F307 VanDerWaalsContact C-N 3.26Å; M305-F307 PolarHBondContact O-N 3.25Å; M305-F308 PolarHBondContact O-N 3.46Å; M305-V309 WeakPolarHBondContact O-CB 3.4Å; M305-V309 WeakPolarHBondContact O-CG2 3.44Å; M305-V309 PolarHBondContact O-N 3.16Å
306	N	97.7	Very high	97.2	Very high	62 Å²	62	28.8 Å²	28.8	33%	0.332	14%	0.137	S	C	.	.	H	α-helix	trans	-59.2	-41	171.8	-74.7	-22.7	0	0	0	111	A96 Q302 E303 R310	A96-N306 WeakPolarHBondContact CB-OD1 3.35Å; Q302-N306 VanDerWaalsContact O-CB 3.26Å; Q302-N306 WeakPolarHBondContact O-CB 3.49Å; Q302-N306 PolarHBondContact O-N 2.83Å; Q302-N306 PolarHBondContact O-ND2 3.1Å; E303-N306 PolarHBondContact O-N 3.44Å; N306-R310 WeakPolarHBondContact O-CB 3.33Å; N306-R310 VanDerWaalsContact O-CG 3.23Å; N306-R310 WeakPolarHBondContact O-CG 3.32Å; N306-R310 PolarHBondContact O-N 3.17Å; N306-R310 VanDerWaalsContact O-N 3.07Å; N306-R310 PolarHBondContact O-NE 3.41Å
307	F	97.8	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-56.2	171.6	168.2	-95.8	0	0	0	111.3	W164 R205 L206 S209 F272 E303 L304 M305 V309 R310 E311	W164-F307 HydrophobicContact CZ3-CD1 4.13Å; W164-F307 HydrophobicContact CZ3-CE1 4.45Å; R205-F307 HydrophobicContact CB-CE2 4.42Å; R205-F307 HydrophobicContact CB-CZ 4.31Å; R205-F307 VanDerWaalsContact O-CE2 3.27Å; R205-F307 WeakPolarHBondContact O-CE2 3.21Å; L206-F307 HydrophobicContact CB-CE1 4.21Å; L206-F307 HydrophobicContact CB-CZ 4.25Å; L206-F307 HydrophobicContact CD1-CB 4.42Å; L206-F307 HydrophobicContact CD1-CD1 3.22Å; L206-F307 HydrophobicContact CD1-CE1 3.46Å; L206-F307 VanDerWaalsContact CD1-CE1 3.46Å; L206-F307 HydrophobicContact CD1-CG 3.8Å; L206-F307 HydrophobicContact CD1-CZ 4.2Å; L206-F307 HydrophobicContact CG-CE1 4.44Å; S209-F307 VanDerWaalsContact CB-CD2 3.5Å; S209-F307 WeakPolarHBondContact OG-CD2 3.41Å; F272-F307 AromaticContact CD1-CE1 3.85Å; F272-F307 HydrophobicContact CD1-CE1 3.85Å; F272-F307 HydrophobicContact CD1-CZ 4.09Å; F272-F307 AromaticContact CD2-CE1 3.95Å; F272-F307 HydrophobicContact CD2-CE1 3.95Å; F272-F307 AromaticContact CE1-CE1 3.71Å; F272-F307 HydrophobicContact CE1-CE1 3.71Å; F272-F307 AromaticContact CE1-CZ 3.48Å; F272-F307 HydrophobicContact CE1-CZ 3.48Å; F272-F307 VanDerWaalsContact CE1-CZ 3.48Å; F272-F307 AromaticContact CE2-CE1 3.8Å; F272-F307 HydrophobicContact CE2-CE1 3.8Å; F272-F307 AromaticContact CE2-CZ 3.95Å; F272-F307 HydrophobicContact CE2-CZ 3.95Å; F272-F307 AromaticContact CG-CE1 3.97Å; F272-F307 HydrophobicContact CG-CE1 3.97Å; F272-F307 AromaticContact CZ-CE1 3.68Å; F272-F307 HydrophobicContact CZ-CE1 3.68Å; F272-F307 AromaticContact CZ-CZ 3.4Å; F272-F307 HydrophobicContact CZ-CZ 3.4Å; E303-F307 WeakPolarHBondContact O-CB 3.49Å; E303-F307 PolarHBondContact O-N 3.18Å; L304-F307 WeakPolarHBondContact O-CB 3.18Å; L304-F307 PolarHBondContact O-N 3.38Å; M305-F307 VanDerWaalsContact C-N 3.26Å; M305-F307 PolarHBondContact O-N 3.25Å; F307-V309 PolarHBondContact O-N 3.29Å; F307-R310 WeakPolarHBondContact O-CB 3.23Å; F307-R310 PolarHBondContact O-N 2.85Å; F307-R310 VanDerWaalsContact O-N 3.13Å; F307-E311 HydrophobicContact CD1-CG 4.37Å; F307-E311 HydrophobicContact CD2-CG 4.36Å; F307-E311 HydrophobicContact CE1-CG 3.91Å; F307-E311 HydrophobicContact CE2-CG 3.9Å; F307-E311 HydrophobicContact CZ-CG 3.67Å; F307-E311 WeakPolarHBondContact O-CG 3.01Å; F307-E311 PolarHBondContact O-N 2.91Å
308	F	98.3	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-40.6	-174.7	-179.4	-122.2	0	0	0	113.2	I68 L122 F123 P162 W164 L304 M305 E311 C312	I68-F308 HydrophobicContact CD1-CD1 4.27Å; I68-F308 HydrophobicContact CD1-CE1 3.96Å; I68-F308 HydrophobicContact CG2-CE1 4.03Å; L122-F308 WeakPolarHBondContact O-CZ 3.37Å; F123-F308 HydrophobicContact CB-CE1 4.27Å; F123-F308 HydrophobicContact CD2-CD1 4.13Å; F123-F308 AromaticContact CD2-CE1 3.86Å; F123-F308 HydrophobicContact CD2-CE1 3.86Å; P162-F308 HydrophobicContact CB-CD2 4.36Å; P162-F308 HydrophobicContact CB-CE2 3.72Å; W164-F308 HydrophobicContact CB-CD1 3.94Å; W164-F308 HydrophobicContact CB-CD2 3.74Å; W164-F308 HydrophobicContact CB-CE1 3.7Å; W164-F308 HydrophobicContact CB-CE2 3.5Å; W164-F308 VanDerWaalsContact CB-CE2 3.5Å; W164-F308 HydrophobicContact CB-CG 3.97Å; W164-F308 HydrophobicContact CB-CZ 3.48Å; W164-F308 VanDerWaalsContact CB-CZ 3.48Å; W164-F308 HydrophobicContact CD2-CB 4.38Å; W164-F308 HydrophobicContact CD2-CD2 4.4Å; W164-F308 HydrophobicContact CD2-CG 4.21Å; W164-F308 HydrophobicContact CE3-CB 3.73Å; W164-F308 AromaticContact CE3-CD2 3.85Å; W164-F308 HydrophobicContact CE3-CD2 3.85Å; W164-F308 AromaticContact CE3-CG 3.81Å; W164-F308 HydrophobicContact CE3-CG 3.81Å; W164-F308 HydrophobicContact CG-CD1 4.35Å; W164-F308 HydrophobicContact CG-CD2 4.42Å; W164-F308 HydrophobicContact CG-CG 4.31Å; W164-F308 HydrophobicContact CZ3-CB 4.08Å; L304-F308 PolarHBondContact O-N 3.07Å; M305-F308 PolarHBondContact O-N 3.46Å; F308-E311 WeakPolarHBondContact O-CB 3.08Å; F308-E311 PolarHBondContact O-N 3.49Å; F308-C312 PolarHBondContact O-N 2.97Å; F308-C312 PolarHBondContact O-SG 3.27Å
309	V	98.1	Very high	96.8	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-40.5	176.1	173.7	0	0	0	0	111.1	P66 I68 A96 A98 M305 F307 E311 C312 C313	P66-V309 HydrophobicContact CG-CG1 3.73Å; I68-V309 HydrophobicContact CD1-CG2 3.94Å; A96-V309 HydrophobicContact CB-CB 4.08Å; A96-V309 HydrophobicContact CB-CG2 3.54Å; A96-V309 WeakPolarHBondContact O-CG1 3.38Å; A98-V309 HydrophobicContact CB-CG1 3.97Å; A98-V309 HydrophobicContact CB-CG2 3.77Å; M305-V309 WeakPolarHBondContact O-CB 3.4Å; M305-V309 WeakPolarHBondContact O-CG2 3.44Å; M305-V309 PolarHBondContact O-N 3.16Å; F307-V309 PolarHBondContact O-N 3.29Å; V309-E311 VanDerWaalsContact C-N 3.31Å; V309-E311 PolarHBondContact O-N 3.41Å; V309-C312 WeakPolarHBondContact O-CB 3.16Å; V309-C312 PolarHBondContact O-N 3.14Å; V309-C312 VanDerWaalsContact O-N 3.07Å; V309-C313 PolarHBondContact O-N 2.71Å; V309-C313 PolarHBondContact O-SG 3.05Å
310	R	96.5	Very high	96.5	Very high	116 Å²	116	33.8 Å²	33.8	44%	0.438	18%	0.177	S	C	.	.	H	α-helix	trans	-60.4	-39.7	173.9	-77.2	-175.5	-56	-111.5	4.9	112.5	N306 F307 C312 C313	N306-R310 WeakPolarHBondContact O-CB 3.33Å; N306-R310 VanDerWaalsContact O-CG 3.23Å; N306-R310 WeakPolarHBondContact O-CG 3.32Å; N306-R310 PolarHBondContact O-N 3.17Å; N306-R310 VanDerWaalsContact O-N 3.07Å; N306-R310 PolarHBondContact O-NE 3.41Å; F307-R310 WeakPolarHBondContact O-CB 3.23Å; F307-R310 PolarHBondContact O-N 2.85Å; F307-R310 VanDerWaalsContact O-N 3.13Å; R310-C312 VanDerWaalsContact C-N 3.28Å; R310-C312 PolarHBondContact O-N 3Å; R310-C313 WeakPolarHBondContact O-CB 3.41Å; R310-C313 PolarHBondContact O-N 3.13Å
311	E	96.3	Very high	96.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-40.1	174.5	-62.9	-64.8	77.8	0	0	110.7	Y160 P162 F272 F307 F308 V309 C313 R314	Y160-E311 HydrophobicContact CE1-CB 4.13Å; Y160-E311 PolarHBondContact OH-OE2 3.46Å; P162-E311 HydrophobicContact CB-CB 4.11Å; P162-E311 VanDerWaalsContact CG-C 3.46Å; P162-E311 HydrophobicContact CG-CB 3.73Å; P162-E311 WeakPolarHBondContact CG-O 3.48Å; F272-E311 HydrophobicContact CE2-CG 4.17Å; F272-E311 HydrophobicContact CZ-CG 4.41Å; F307-E311 HydrophobicContact CD1-CG 4.37Å; F307-E311 HydrophobicContact CD2-CG 4.36Å; F307-E311 HydrophobicContact CE1-CG 3.91Å; F307-E311 HydrophobicContact CE2-CG 3.9Å; F307-E311 HydrophobicContact CZ-CG 3.67Å; F307-E311 WeakPolarHBondContact O-CG 3.01Å; F307-E311 PolarHBondContact O-N 2.91Å; F308-E311 WeakPolarHBondContact O-CB 3.08Å; F308-E311 PolarHBondContact O-N 3.49Å; V309-E311 VanDerWaalsContact C-N 3.31Å; V309-E311 PolarHBondContact O-N 3.41Å; E311-C313 PolarHBondContact O-N 2.95Å; E311-R314 WeakPolarHBondContact O-CB 3.44Å; E311-R314 PolarHBondContact O-N 3.32Å; E311-R314 VanDerWaalsContact O-N 3.15Å; E311-R314 IonicContact OE1-CZ 3.52Å; E311-R314 IonicContact OE1-NE 3.99Å; E311-R314 PolarHBondContact OE1-NE 2.87Å; E311-R314 IonicContact OE1-NH2 3.46Å; E311-R314 PolarHBondContact OE1-NH2 3.34Å
312	C	97.5	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-26.3	177.7	-64.4	0	0	0	0	112.5	P66 I68 N120 F308 V309 R310 R314 N315	P66-C312 HydrophobicContact CB-CB 4.12Å; I68-C312 HydrophobicContact CD1-CB 4.11Å; I68-C312 HydrophobicContact CG1-CB 4.17Å; N120-C312 HydrophobicContact CB-CB 4.13Å; N120-C312 WeakPolarHBondContact CB-O 3.31Å; F308-C312 PolarHBondContact O-N 2.97Å; F308-C312 PolarHBondContact O-SG 3.27Å; V309-C312 WeakPolarHBondContact O-CB 3.16Å; V309-C312 PolarHBondContact O-N 3.14Å; V309-C312 VanDerWaalsContact O-N 3.07Å; R310-C312 VanDerWaalsContact C-N 3.28Å; R310-C312 PolarHBondContact O-N 3Å; C312-R314 PolarHBondContact O-N 2.93Å; C312-R314 VanDerWaalsContact O-N 3.16Å; C312-N315 PolarHBondContact O-ND2 2.63Å
313	C	96.2	Very high	95.7	Very high	15 Å²	15	47.9 Å²	47.9	10%	0.101	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.2	174.9	-61.2	0	0	0	0	113.9	V61 L62 H63 V309 R310 E311 N315	V61-C313 HydrophobicContact CG1-CB 3.95Å; V61-C313 HydrophobicContact CG2-CB 4.43Å; L62-C313 PolarHBondContact N-O 3.23Å; H63-C313 PolarHBondContact N-O 2.96Å; H63-C313 WeakPolarHBondContact O-CA 3.33Å; H63-C313 WeakPolarHBondContact O-CB 3.41Å; H63-C313 PolarHBondContact O-SG 3.27Å; H63-C313 VanDerWaalsContact O-SG 3.38Å; V309-C313 PolarHBondContact O-N 2.71Å; V309-C313 PolarHBondContact O-SG 3.05Å; R310-C313 WeakPolarHBondContact O-CB 3.41Å; R310-C313 PolarHBondContact O-N 3.13Å; E311-C313 PolarHBondContact O-N 2.95Å; C313-N315 VanDerWaalsContact C-N 3.33Å; C313-N315 PolarHBondContact O-N 2.79Å
314	R	94.3	Very high	95.5	Very high	25 Å²	25	48.2 Å²	48.2	9%	0.094	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	12.9	-175.5	-59.7	173.7	-179.1	-96.7	0.5	114.9	M56 F59 P60 Y160 E311 C312	M56-R314 PolarHBondContact O-NH1 2.88Å; F59-R314 HydrophobicContact CB-CB 4.23Å; F59-R314 WeakPolarHBondContact O-CG 3.41Å; F59-R314 PolarHBondContact O-NH1 3.27Å; P60-R314 WeakPolarHBondContact O-CA 3.39Å; Y160-R314 HydrophobicContact CD1-CB 3.66Å; Y160-R314 HydrophobicContact CD1-CG 4.39Å; Y160-R314 HydrophobicContact CE1-CB 4.27Å; Y160-R314 HydrophobicContact CG-CB 4.02Å; E311-R314 WeakPolarHBondContact O-CB 3.44Å; E311-R314 PolarHBondContact O-N 3.32Å; E311-R314 VanDerWaalsContact O-N 3.15Å; E311-R314 IonicContact OE1-CZ 3.52Å; E311-R314 IonicContact OE1-NE 3.99Å; E311-R314 PolarHBondContact OE1-NE 2.87Å; E311-R314 IonicContact OE1-NH2 3.46Å; E311-R314 PolarHBondContact OE1-NH2 3.34Å; C312-R314 PolarHBondContact O-N 2.93Å; C312-R314 VanDerWaalsContact O-N 3.16Å
315	N	92.5	Very high	95.4	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-131.9	158.7	165.6	62.3	77.9	0	0	0	111.1	H63 N120 K159 Y160 C312 C313 N317	H63-N315 WeakPolarHBondContact CB-O 3.49Å; N120-N315 WeakPolarHBondContact CA-OD1 3.43Å; N120-N315 PolarHBondContact ND2-O 3.16Å; N120-N315 PolarHBondContact ND2-OD1 3.31Å; N120-N315 PolarHBondContact O-ND2 2.91Å; K159-N315 HydrophobicContact CG-CB 4.38Å; Y160-N315 VanDerWaalsContact O-CB 3.25Å; Y160-N315 WeakPolarHBondContact O-CB 3.28Å; Y160-N315 PolarHBondContact O-ND2 3.18Å; C312-N315 PolarHBondContact O-ND2 2.63Å; C313-N315 VanDerWaalsContact C-N 3.33Å; C313-N315 PolarHBondContact O-N 2.79Å; N315-N317 WeakPolarHBondContact OD1-CB 3.24Å; N315-N317 PolarHBondContact OD1-N 3.38Å
316	D	92.9	Very high	95.2	Very high	97 Å²	97	50.9 Å²	50.9	52%	0.519	26%	0.257	S	S	.	.			trans	-94.9	12.2	-174.2	67.2	-22.4	0	0	0	113.7	L62 K159 K318	L62-D316 HydrophobicContact CB-CB 4.25Å; L62-D316 HydrophobicContact CD1-CB 4.38Å; K159-D316 IonicContact NZ-OD1 3.93Å; D316-K318 PolarHBondContact O-N 3.43Å
317	N	95.4	Very high	95	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	27%	0.274	C	S	.	.			trans	-58.8	141.4	177.4	-83.9	-13.6	0	0	0	111	H63 F116 S117 L119 N120 K159 W161 N315	H63-N317 PolarHBondContact CD2-O 3.44Å; H63-N317 VanDerWaalsContact CD2-O 3.23Å; F116-N317 PolarHBondContact O-ND2 2.93Å; S117-N317 PolarHBondContact O-OD1 2.69Å; L119-N317 VanDerWaalsContact O-CB 3.28Å; L119-N317 WeakPolarHBondContact O-CB 3.44Å; L119-N317 PolarHBondContact O-ND2 3.37Å; N120-N317 PolarHBondContact ND2-O 3.18Å; K159-N317 WeakPolarHBondContact CE-OD1 3.46Å; K159-N317 PolarHBondContact NZ-OD1 3.3Å; W161-N317 PolarHBondContact NE1-ND2 3.12Å; N315-N317 WeakPolarHBondContact OD1-CB 3.24Å; N315-N317 PolarHBondContact OD1-N 3.38Å
318	K	95.5	Very high	94.9	Very high	144 Å²	144	56.7 Å²	56.7	63%	0.626	28%	0.283	S	S	*	.			trans	-156.2	155.8	176.7	61.4	-173.1	177.8	-171.7	0	110.4	Q118 D316	Q118-K318 CarbonylContact O-C 3.28Å; Q118-K318 PolarHBondContact O-N 3.47Å; D316-K318 PolarHBondContact O-N 3.43Å
319	F	95.5	Very high	94.8	Very high	18 Å²	18	57.2 Å²	57.2	8%	0.079	29%	0.287	C	S	.	.			trans	-65	147.7	166	-79.5	-104.6	0	0	0	110.2	V67 V101 L115 Q118 L119 D321 T324 L325 N328	V67-F319 HydrophobicContact CB-CE2 4.29Å; V67-F319 HydrophobicContact CG1-CE2 3.88Å; V67-F319 HydrophobicContact CG2-CD2 4.42Å; V101-F319 HydrophobicContact CG2-CE2 4.27Å; V101-F319 HydrophobicContact CG2-CZ 4Å; L115-F319 HydrophobicContact CD2-CZ 4.35Å; Q118-F319 HydrophobicContact CB-CD1 4.36Å; Q118-F319 HydrophobicContact CB-CD2 3.94Å; Q118-F319 HydrophobicContact CB-CE1 4.33Å; Q118-F319 HydrophobicContact CB-CE2 3.91Å; Q118-F319 HydrophobicContact CB-CG 4.17Å; Q118-F319 HydrophobicContact CB-CZ 4.11Å; L119-F319 HydrophobicContact CD2-CE2 3.94Å; L119-F319 HydrophobicContact CD2-CZ 4.25Å; F319-D321 PolarHBondContact O-N 2.9Å; F319-T324 HydrophobicContact CD1-CG2 3.91Å; F319-T324 HydrophobicContact CE1-CG2 4.3Å; F319-L325 HydrophobicContact CB-CB 3.97Å; F319-L325 HydrophobicContact CD1-CB 4.13Å; F319-L325 HydrophobicContact CD2-CB 4.34Å; F319-L325 HydrophobicContact CD2-CD1 3.76Å; F319-L325 HydrophobicContact CE2-CD1 3.84Å; F319-L325 HydrophobicContact CG-CB 3.87Å; F319-L325 HydrophobicContact CG-CD1 4.15Å; F319-L325 HydrophobicContact CZ-CD1 4.28Å; F319-N328 HydrophobicContact CE1-CB 4.28Å
320	G	91.7	Very high	94.8	Very high	75 Å²	75	57 Å²	57	77%	0.773	29%	0.285	S	S	*	.	S	Bend	trans	-64.7	-30	-179.2	0	0	0	0	0	112.8
321	D	92.9	Very high	94.6	Very high	67 Å²	67	55.8 Å²	55.8	36%	0.358	30%	0.295	S	S	.	.	S	Bend	trans	-154.4	161.9	176.7	73.7	93.1	0	0	0	111.5	F319 R323 T324 L325	F319-D321 PolarHBondContact O-N 2.9Å; D321-R323 VanDerWaalsContact C-N 3.34Å; D321-R323 PolarHBondContact O-N 3.14Å; D321-R323 WeakPolarHBondContact OD1-CA 3.19Å; D321-R323 VanDerWaalsContact OD1-CB 3.24Å; D321-R323 WeakPolarHBondContact OD1-CB 3.24Å; D321-R323 PolarHBondContact OD1-N 3.08Å; D321-T324 PolarHBondContact OD1-N 3.19Å; D321-T324 WeakPolarHBondContact OD2-CB 3.31Å; D321-T324 PolarHBondContact OD2-OG1 2.85Å; D321-L325 PolarHBondContact O-N 2.97Å
322	W	91.8	Very high	94.5	Very high	176 Å²	176	59 Å²	59	67%	0.667	33%	0.328	S	S	*	.	H	α-helix	trans	-71.1	-24.9	-176	75.3	-93.5	0	0	0	113.8	L325 A326	W322-L325 PolarHBondContact O-N 2.9Å; W322-A326 HydrophobicContact CE3-CB 4.27Å; W322-A326 HydrophobicContact CZ3-CB 4.37Å; W322-A326 WeakPolarHBondContact O-CB 3.36Å; W322-A326 PolarHBondContact O-N 3.18Å
323	R	94.6	Very high	94.4	Very high	149 Å²	149	63.1 Å²	63.1	56%	0.562	34%	0.344	S	S	*	.	H	α-helix	trans	-72.9	-46.2	-179.7	-61.3	-176.4	178.2	87	-1.5	109.8	D321 L325 A326 E327	D321-R323 VanDerWaalsContact C-N 3.34Å; D321-R323 PolarHBondContact O-N 3.14Å; D321-R323 WeakPolarHBondContact OD1-CA 3.19Å; D321-R323 VanDerWaalsContact OD1-CB 3.24Å; D321-R323 WeakPolarHBondContact OD1-CB 3.24Å; D321-R323 PolarHBondContact OD1-N 3.08Å; R323-L325 VanDerWaalsContact C-N 3.25Å; R323-L325 PolarHBondContact O-N 2.99Å; R323-A326 PolarHBondContact O-N 3.26Å; R323-E327 WeakPolarHBondContact O-CG 3.48Å; R323-E327 PolarHBondContact O-N 3.47Å
324	T	94.2	Very high	94.3	Very high	42 Å²	42	73.3 Å²	73.3	26%	0.258	38%	0.38	S	S	.	.	H	α-helix	trans	-56.7	-43.3	172.9	-56.6	0	0	0	0	110.6	F319 D321 E327 N328	F319-T324 HydrophobicContact CD1-CG2 3.91Å; F319-T324 HydrophobicContact CE1-CG2 4.3Å; D321-T324 PolarHBondContact OD1-N 3.19Å; D321-T324 WeakPolarHBondContact OD2-CB 3.31Å; D321-T324 PolarHBondContact OD2-OG1 2.85Å; T324-E327 PolarHBondContact O-N 3.01Å; T324-N328 PolarHBondContact O-N 2.91Å; T324-N328 PolarHBondContact O-ND2 2.91Å
325	L	95.3	Very high	94.4	Very high	18 Å²	18	73.7 Å²	73.7	9%	0.094	39%	0.387	C	S	.	.	H	α-helix	trans	-61.5	-46.5	174.2	175.3	58.9	0	0	0	112	V67 V101 F319 D321 W322 R323 E327 N328 C329	V67-L325 HydrophobicContact CG1-CD1 3.92Å; V67-L325 HydrophobicContact CG2-CD1 3.96Å; V67-L325 HydrophobicContact CG2-CD2 4.28Å; V101-L325 HydrophobicContact CG2-CD1 4.28Å; F319-L325 HydrophobicContact CB-CB 3.97Å; F319-L325 HydrophobicContact CD1-CB 4.13Å; F319-L325 HydrophobicContact CD2-CB 4.34Å; F319-L325 HydrophobicContact CD2-CD1 3.76Å; F319-L325 HydrophobicContact CE2-CD1 3.84Å; F319-L325 HydrophobicContact CG-CB 3.87Å; F319-L325 HydrophobicContact CG-CD1 4.15Å; F319-L325 HydrophobicContact CZ-CD1 4.28Å; D321-L325 PolarHBondContact O-N 2.97Å; W322-L325 PolarHBondContact O-N 2.9Å; R323-L325 VanDerWaalsContact C-N 3.25Å; R323-L325 PolarHBondContact O-N 2.99Å; L325-E327 VanDerWaalsContact C-N 3.3Å; L325-E327 PolarHBondContact O-N 3.16Å; L325-N328 PolarHBondContact O-N 3.42Å; L325-C329 VanDerWaalsContact O-CB 3.29Å; L325-C329 WeakPolarHBondContact O-CB 3.26Å; L325-C329 PolarHBondContact O-N 3Å
326	A	94	Very high	94.5	Very high	49 Å²	49	75.9 Å²	75.9	41%	0.405	40%	0.401	S	S	.	.	H	α-helix	trans	-61.1	-38.6	-178.5	0	0	0	0	0	112.4	W322 R323 N328	W322-A326 HydrophobicContact CE3-CB 4.27Å; W322-A326 HydrophobicContact CZ3-CB 4.37Å; W322-A326 WeakPolarHBondContact O-CB 3.36Å; W322-A326 PolarHBondContact O-N 3.18Å; R323-A326 PolarHBondContact O-N 3.26Å; A326-N328 VanDerWaalsContact C-N 3.31Å; A326-N328 PolarHBondContact O-N 3.47Å
327	E	94.2	Very high	94.6	Very high	146 Å²	146	76 Å²	76	68%	0.682	40%	0.397	S	S	*	.	H	α-helix	trans	-67.9	-29.2	177.2	-71.5	170.4	-178.2	0	0	113.1	R323 T324 L325	R323-E327 WeakPolarHBondContact O-CG 3.48Å; R323-E327 PolarHBondContact O-N 3.47Å; T324-E327 PolarHBondContact O-N 3.01Å; L325-E327 VanDerWaalsContact C-N 3.3Å; L325-E327 PolarHBondContact O-N 3.16Å
328	N	95.3	Very high	94.5	Very high	37 Å²	37	75.7 Å²	75.7	20%	0.198	40%	0.395	C	S	.	.	H	α-helix	trans	-98.7	-11.2	-178.7	-72.2	-91.7	0	0	0	113.2	V101 P102 F319 T324 L325 A326	V101-N328 HydrophobicContact CG1-CB 4.17Å; V101-N328 HydrophobicContact CG2-CB 4.37Å; P102-N328 WeakPolarHBondContact CD-O 3.36Å; F319-N328 HydrophobicContact CE1-CB 4.28Å; T324-N328 PolarHBondContact O-N 2.91Å; T324-N328 PolarHBondContact O-ND2 2.91Å; L325-N328 PolarHBondContact O-N 3.42Å; A326-N328 VanDerWaalsContact C-N 3.31Å; A326-N328 PolarHBondContact O-N 3.47Å
329	C	96.5	Very high	94.2	Very high	12 Å²	12	73.7 Å²	73.7	8%	0.081	39%	0.388	C	S	.	.	S	Bend	trans	-72.3	139.2	-174.8	-173.3	0	0	0	0	111	L325 S331 G332 Y333	L325-C329 VanDerWaalsContact O-CB 3.29Å; L325-C329 WeakPolarHBondContact O-CB 3.26Å; L325-C329 PolarHBondContact O-N 3Å; C329-S331 PolarHBondContact O-N 3.15Å; C329-S331 PolarHBondContact SG-OG 3.18Å; C329-G332 PolarHBondContact O-N 2.85Å; C329-Y333 WeakPolarHBondContact O-CD2 3.26Å
330	I	97.5	Very high	93.8	Very high	1 Å²	1	77.6 Å²	77.6	1%	0.005	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-55.2	-23.8	177	-162.9	61.8	0	0	0	112.9	L85 V90 V100 P102 G332 Y333 Y349 F351	L85-I330 HydrophobicContact CD2-CD1 4.43Å; V90-I330 HydrophobicContact CG1-CG1 4.21Å; V90-I330 HydrophobicContact CG1-CG2 3.72Å; V90-I330 HydrophobicContact CG2-CG1 4.2Å; V100-I330 HydrophobicContact CB-CB 4.36Å; V100-I330 HydrophobicContact CB-CG2 3.82Å; V100-I330 HydrophobicContact CG1-CB 4.3Å; V100-I330 HydrophobicContact CG1-CG2 4.25Å; V100-I330 WeakPolarHBondContact O-CB 3.49Å; V100-I330 WeakPolarHBondContact O-CG2 3.41Å; V100-I330 PolarHBondContact O-N 3.19Å; P102-I330 HydrophobicContact CB-CD1 4.16Å; P102-I330 HydrophobicContact CG-CD1 3.91Å; I330-G332 PolarHBondContact O-N 3.22Å; I330-Y333 HydrophobicContact CD1-CD2 4.18Å; I330-Y333 HydrophobicContact CD1-CG 4.25Å; I330-Y333 WeakPolarHBondContact O-CB 3.06Å; I330-Y333 PolarHBondContact O-N 2.96Å; I330-Y349 HydrophobicContact CD1-CD1 3.88Å; I330-Y349 HydrophobicContact CD1-CD2 4.1Å; I330-Y349 HydrophobicContact CD1-CE1 4.19Å; I330-Y349 HydrophobicContact CD1-CE2 4.39Å; I330-Y349 HydrophobicContact CD1-CG 3.83Å; I330-Y349 HydrophobicContact CG1-CD1 4.21Å; I330-Y349 HydrophobicContact CG1-CD2 4.22Å; I330-Y349 HydrophobicContact CG1-CE1 3.99Å; I330-Y349 HydrophobicContact CG1-CE2 4.02Å; I330-Y349 HydrophobicContact CG1-CG 4.32Å; I330-F351 HydrophobicContact CD1-CE1 4.42Å; I330-F351 HydrophobicContact CD1-CZ 3.97Å
331	S	93.5	Very high	93.4	Very high	92 Å²	92	79.1 Å²	79.1	64%	0.643	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-64.9	-19.4	178.7	-55.1	0	0	0	0	113.3	C329 Y333	C329-S331 PolarHBondContact O-N 3.15Å; C329-S331 PolarHBondContact SG-OG 3.18Å; S331-Y333 VanDerWaalsContact C-N 3.32Å
332	G	93.3	Very high	93.1	Very high	68 Å²	68	77.1 Å²	77.1	70%	0.701	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-81	-10.4	171.9	0	0	0	0	0	113.9	C329 I330	C329-G332 PolarHBondContact O-N 2.85Å; I330-G332 PolarHBondContact O-N 3.22Å
333	Y	95.1	Very high	92.6	Very high	86 Å²	86	70.3 Å²	70.3	34%	0.337	38%	0.375	S	S	.	.	S	Bend	trans	-97.1	146.4	-177.8	-63	-103.2	0	0	0	110.6	P102 C329 I330 S331 F351	P102-Y333 HydrophobicContact CG-CD2 4.37Å; P102-Y333 HydrophobicContact CG-CE2 3.81Å; C329-Y333 WeakPolarHBondContact O-CD2 3.26Å; I330-Y333 HydrophobicContact CD1-CD2 4.18Å; I330-Y333 HydrophobicContact CD1-CG 4.25Å; I330-Y333 WeakPolarHBondContact O-CB 3.06Å; I330-Y333 PolarHBondContact O-N 2.96Å; S331-Y333 VanDerWaalsContact C-N 3.32Å; Y333-F351 AromaticContact CD1-CD1 3.98Å; Y333-F351 HydrophobicContact CD1-CD1 3.98Å; Y333-F351 AromaticContact CD1-CE1 3.52Å; Y333-F351 HydrophobicContact CD1-CE1 3.52Å; Y333-F351 AromaticContact CE1-CD1 3.86Å; Y333-F351 HydrophobicContact CE1-CD1 3.86Å; Y333-F351 AromaticContact CE1-CE1 3.62Å; Y333-F351 HydrophobicContact CE1-CE1 3.62Å; Y333-F351 HydrophobicContact CG-CE1 4.17Å
334	R	94.8	Very high	92.2	Very high	229 Å²	229	63.2 Å²	63.2	86%	0.864	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-91.8	127	176.3	-171.7	174.1	-179.6	-176.9	0.7	109.9
335	S	96.1	Very high	92.1	Very high	34 Å²	34	65.7 Å²	65.7	24%	0.238	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-75.5	150.1	167.9	61.3	0	0	0	0	111	E347 Y348	S335-E347 WeakPolarHBondContact CB-OE2 3.36Å; S335-E347 PolarHBondContact OG-OE2 3.22Å; S335-Y348 CarbonylContact C-O 3.5Å; S335-Y348 WeakPolarHBondContact CA-O 3.49Å
336	T	95.5	Very high	92	Very high	47 Å²	47	65.3 Å²	65.3	29%	0.288	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.2	172.8	-64.4	0	0	0	0	108.5	M338 E347 Y348 F350	T336-M338 HydrophobicContact CG2-SD 4.23Å; T336-E347 WeakPolarHBondContact O-CA 3.49Å; T336-Y348 PolarHBondContact N-O 3.39Å; T336-Y348 PolarHBondContact O-N 2.88Å; T336-F350 HydrophobicContact CG2-CD2 4.4Å; T336-F350 HydrophobicContact CG2-CE2 4.06Å
337	F	94.7	Very high	92	Very high	99 Å²	99	65.5 Å²	65.5	43%	0.434	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.3	170.9	-177	-125	0	0	0	109.6	H339 L345 E347	F337-H339 HydrophobicContact CD1-CB 4.03Å; F337-H339 HydrophobicContact CE1-CB 3.47Å; F337-H339 VanDerWaalsContact CE1-CB 3.47Å; F337-H339 HydrophobicContact CZ-CB 3.81Å; F337-H339 PolarHBondContact O-N 2.83Å; F337-L345 HydrophobicContact CE2-CB 4.19Å; F337-L345 HydrophobicContact CZ-CB 4.4Å; F337-L345 HydrophobicContact CZ-CD2 3.94Å; F337-E347 HydrophobicContact CB-CG 4.47Å; F337-E347 HydrophobicContact CD2-CG 4.24Å
338	M	92.7	Very high	92.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.324	C	S	.	.			trans	-85.3	-6.8	-166.8	-65.1	-54.3	-64	0	0	114.6	F77 L80 T336 P340 H341 D342 S344 D346 Y348 F350	F77-M338 HydrophobicContact CD1-CE 4.16Å; F77-M338 HydrophobicContact CD2-CE 3.55Å; F77-M338 HydrophobicContact CE1-CE 4.08Å; F77-M338 HydrophobicContact CE2-CE 3.46Å; F77-M338 VanDerWaalsContact CE2-CE 3.46Å; F77-M338 HydrophobicContact CG-CE 3.92Å; F77-M338 HydrophobicContact CZ-CE 3.75Å; L80-M338 HydrophobicContact CD1-CE 4.09Å; L80-M338 HydrophobicContact CD1-SD 4.45Å; T336-M338 HydrophobicContact CG2-SD 4.23Å; M338-P340 CarbonylContact O-C 3.57Å; M338-H341 HydrophobicContact CE-CB 3.89Å; M338-H341 WeakPolarHBondContact O-CA 3.49Å; M338-H341 VanDerWaalsContact O-CB 3.29Å; M338-H341 WeakPolarHBondContact O-CB 3.43Å; M338-H341 PolarHBondContact O-N 2.95Å; M338-D342 WeakPolarHBondContact CB-OD1 3.26Å; M338-D342 PolarHBondContact O-N 3.09Å; M338-D342 VanDerWaalsContact O-N 3.12Å; M338-S344 WeakPolarHBondContact CB-OG 3.22Å; M338-D346 WeakPolarHBondContact CB-O 3.25Å; M338-D346 WeakPolarHBondContact CG-O 3.47Å; M338-D346 PolarHBondContact N-O 3.02Å; M338-Y348 HydrophobicContact CG-CD2 3.34Å; M338-Y348 HydrophobicContact CG-CE2 3.86Å; M338-Y348 HydrophobicContact CG-CG 4.23Å; M338-Y348 HydrophobicContact SD-CD2 3.93Å; M338-Y348 HydrophobicContact SD-CG 4.25Å; M338-F350 HydrophobicContact CE-CE2 4.44Å; M338-F350 HydrophobicContact CE-CZ 3.98Å; M338-F350 HydrophobicContact SD-CE2 3.68Å; M338-F350 HydrophobicContact SD-CZ 3.74Å
339	H	89.8	Confident	92.2	Very high	102 Å²	102	59.6 Å²	59.6	47%	0.472	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	124.8	168.5	-170.8	79	0	0	0	110	F337 S344	F337-H339 HydrophobicContact CD1-CB 4.03Å; F337-H339 HydrophobicContact CE1-CB 3.47Å; F337-H339 VanDerWaalsContact CE1-CB 3.47Å; F337-H339 HydrophobicContact CZ-CB 3.81Å; F337-H339 PolarHBondContact O-N 2.83Å; H339-S344 WeakPolarHBondContact CB-O 3.28Å; H339-S344 PolarHBondContact N-O 2.86Å
340	P	86.7	Confident	92.2	Very high	101 Å²	101	60.6 Å²	60.6	66%	0.656	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	cis	-101.3	9.6	9.7	38.9	-36.1	0	0	0	115.6	M338 D342	M338-P340 CarbonylContact O-C 3.57Å; P340-D342 VanDerWaalsContact C-N 3.31Å; P340-D342 PolarHBondContact O-N 3.31Å
341	H	84.3	Confident	92.1	Very high	106 Å²	106	61 Å²	61	49%	0.491	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-43.5	-178	-66.5	-72.3	0	0	0	114.5	M338	M338-H341 HydrophobicContact CE-CB 3.89Å; M338-H341 WeakPolarHBondContact O-CA 3.49Å; M338-H341 VanDerWaalsContact O-CB 3.29Å; M338-H341 WeakPolarHBondContact O-CB 3.43Å; M338-H341 PolarHBondContact O-N 2.95Å
342	D	85.6	Confident	91.9	Very high	26 Å²	26	64.3 Å²	64.3	14%	0.139	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-1.8	179.1	76	-11.1	0	0	0	114.7	F77 R288 M338 P340 S344	F77-D342 HydrophobicContact CE1-CB 3.87Å; F77-D342 HydrophobicContact CZ-CB 3.51Å; R288-D342 PolarHBondContact NH2-O 3.25Å; M338-D342 WeakPolarHBondContact CB-OD1 3.26Å; M338-D342 PolarHBondContact O-N 3.09Å; M338-D342 VanDerWaalsContact O-N 3.12Å; P340-D342 VanDerWaalsContact C-N 3.31Å; P340-D342 PolarHBondContact O-N 3.31Å; D342-S344 VanDerWaalsContact CG-OG 3.27Å; D342-S344 PolarHBondContact O-N 2.99Å; D342-S344 WeakPolarHBondContact OD1-CA 3.36Å; D342-S344 WeakPolarHBondContact OD1-CB 3.43Å; D342-S344 PolarHBondContact OD1-N 3.24Å; D342-S344 PolarHBondContact OD1-OG 3.22Å; D342-S344 PolarHBondContact OD2-OG 3.18Å
343	G	81.6	Confident	91	Very high	32 Å²	32	65.7 Å²	65.7	33%	0.33	32%	0.318	S	S	.	.	S	Bend	trans	77.9	2.4	-178	0	0	0	0	0	114.5
344	S	86.8	Confident	89.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.324	C	S	.	.			trans	-79.2	159.9	170.6	76.6	0	0	0	0	111.1	N286 M338 H339 D342 D346	N286-S344 WeakPolarHBondContact ND2-CB 3.43Å; M338-S344 WeakPolarHBondContact CB-OG 3.22Å; H339-S344 WeakPolarHBondContact CB-O 3.28Å; H339-S344 PolarHBondContact N-O 2.86Å; D342-S344 VanDerWaalsContact CG-OG 3.27Å; D342-S344 PolarHBondContact O-N 2.99Å; D342-S344 WeakPolarHBondContact OD1-CA 3.36Å; D342-S344 WeakPolarHBondContact OD1-CB 3.43Å; D342-S344 PolarHBondContact OD1-N 3.24Å; D342-S344 PolarHBondContact OD1-OG 3.22Å; D342-S344 PolarHBondContact OD2-OG 3.18Å; S344-D346 WeakPolarHBondContact CB-OD2 3.41Å; S344-D346 WeakPolarHBondContact OG-CB 3.47Å; S344-D346 PolarHBondContact OG-N 3.28Å
345	L	90.7	Very high	87.8	Confident	95 Å²	95	62.9 Å²	62.9	50%	0.497	35%	0.346	S	S	.	.	S	Bend	trans	-97.5	27.1	168.6	-51.4	176.9	0	0	0	110.7	W285 F337	W285-L345 HydrophobicContact CB-CB 3.9Å; W285-L345 HydrophobicContact CB-CD1 4.38Å; F337-L345 HydrophobicContact CE2-CB 4.19Å; F337-L345 HydrophobicContact CZ-CB 4.4Å; F337-L345 HydrophobicContact CZ-CD2 3.94Å
346	D	93.3	Very high	87.4	Confident	9 Å²	9	64.4 Å²	64.4	5%	0.048	35%	0.351	C	S	.	.			trans	-89.8	165.4	-177.2	-59	-34.2	0	0	0	111.1	T284 W285 M338 S344 Y348	T284-D346 VanDerWaalsContact CA-OD1 3.27Å; T284-D346 WeakPolarHBondContact CA-OD1 3.48Å; T284-D346 WeakPolarHBondContact CG2-OD1 3.41Å; T284-D346 WeakPolarHBondContact CG2-OD2 3.37Å; W285-D346 PolarHBondContact N-OD1 3.32Å; M338-D346 WeakPolarHBondContact CB-O 3.25Å; M338-D346 WeakPolarHBondContact CG-O 3.47Å; M338-D346 PolarHBondContact N-O 3.02Å; S344-D346 WeakPolarHBondContact CB-OD2 3.41Å; S344-D346 WeakPolarHBondContact OG-CB 3.47Å; S344-D346 PolarHBondContact OG-N 3.28Å; D346-Y348 HydrophobicContact CB-CD2 4.45Å; D346-Y348 HydrophobicContact CB-CE2 3.89Å
347	E	95.2	Very high	87	Confident	53 Å²	53	65.3 Å²	65.3	25%	0.248	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.8	175.9	-83.7	175.2	-131.7	0	0	110.6	A87 R91 S335 T336 F337	A87-E347 HydrophobicContact CB-CB 3.71Å; A87-E347 WeakPolarHBondContact CB-O 3.4Å; A87-E347 PolarHBondContact N-O 3.43Å; R91-E347 IonicContact CZ-OE2 3.48Å; R91-E347 IonicContact NH2-OE1 2.79Å; R91-E347 PolarHBondContact NH2-OE1 3.33Å; R91-E347 IonicContact NH2-OE2 3.46Å; R91-E347 PolarHBondContact NH2-OE2 3.42Å; S335-E347 WeakPolarHBondContact CB-OE2 3.36Å; S335-E347 PolarHBondContact OG-OE2 3.22Å; T336-E347 WeakPolarHBondContact O-CA 3.49Å; F337-E347 HydrophobicContact CB-CG 4.47Å; F337-E347 HydrophobicContact CD2-CG 4.24Å
348	Y	96.5	Very high	86.6	Confident	35 Å²	35	63.4 Å²	63.4	14%	0.137	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.2	180	-75	-114.6	0	0	0	110	P86 S335 T336 M338 D346 F350	P86-Y348 HydrophobicContact CB-CD1 4.26Å; P86-Y348 HydrophobicContact CB-CE1 3.99Å; P86-Y348 HydrophobicContact CG-CD1 4Å; P86-Y348 HydrophobicContact CG-CE1 3.57Å; S335-Y348 CarbonylContact C-O 3.5Å; S335-Y348 WeakPolarHBondContact CA-O 3.49Å; T336-Y348 PolarHBondContact N-O 3.39Å; T336-Y348 PolarHBondContact O-N 2.88Å; M338-Y348 HydrophobicContact CG-CD2 3.34Å; M338-Y348 HydrophobicContact CG-CE2 3.86Å; M338-Y348 HydrophobicContact CG-CG 4.23Å; M338-Y348 HydrophobicContact SD-CD2 3.93Å; M338-Y348 HydrophobicContact SD-CG 4.25Å; D346-Y348 HydrophobicContact CB-CD2 4.45Å; D346-Y348 HydrophobicContact CB-CE2 3.89Å; Y348-F350 HydrophobicContact CG-CZ 4.25Å
349	Y	97.3	Very high	86.2	Confident	25 Å²	25	67.1 Å²	67.1	10%	0.098	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.1	162.7	-58	-87.5	0	0	0	108	S84 L85 A87 V90 I330	S84-Y349 CarbonylContact C-O 3.57Å; S84-Y349 WeakPolarHBondContact CA-O 3.29Å; L85-Y349 PolarHBondContact N-O 3.09Å; L85-Y349 PolarHBondContact O-N 3.4Å; A87-Y349 HydrophobicContact CB-CD2 4.28Å; A87-Y349 HydrophobicContact CB-CE2 3.72Å; V90-Y349 HydrophobicContact CB-CE2 4.16Å; V90-Y349 HydrophobicContact CG1-CE2 4.33Å; V90-Y349 HydrophobicContact CG2-CD2 4.13Å; V90-Y349 HydrophobicContact CG2-CE2 3.81Å; I330-Y349 HydrophobicContact CD1-CD1 3.88Å; I330-Y349 HydrophobicContact CD1-CD2 4.1Å; I330-Y349 HydrophobicContact CD1-CE1 4.19Å; I330-Y349 HydrophobicContact CD1-CE2 4.39Å; I330-Y349 HydrophobicContact CD1-CG 3.83Å; I330-Y349 HydrophobicContact CG1-CD1 4.21Å; I330-Y349 HydrophobicContact CG1-CD2 4.22Å; I330-Y349 HydrophobicContact CG1-CE1 3.99Å; I330-Y349 HydrophobicContact CG1-CE2 4.02Å; I330-Y349 HydrophobicContact CG1-CG 4.32Å
350	F	96.2	Very high	86	Confident	32 Å²	32	64.9 Å²	64.9	14%	0.14	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.4	177.2	-68.3	-77.3	0	0	0	109.8	F77 L80 T336 M338 Y348	F77-F350 HydrophobicContact CB-CE1 3.91Å; F77-F350 HydrophobicContact CB-CZ 4.17Å; F77-F350 HydrophobicContact CD2-CE1 4.31Å; F77-F350 HydrophobicContact CD2-CZ 4.14Å; F77-F350 HydrophobicContact CG-CZ 4.47Å; L80-F350 HydrophobicContact CB-CD1 3.7Å; L80-F350 HydrophobicContact CB-CD2 3.91Å; L80-F350 HydrophobicContact CB-CE1 3.8Å; L80-F350 HydrophobicContact CB-CE2 3.97Å; L80-F350 HydrophobicContact CB-CG 3.76Å; L80-F350 HydrophobicContact CB-CZ 3.93Å; L80-F350 HydrophobicContact CD1-CD2 4.35Å; L80-F350 HydrophobicContact CD1-CE1 4.24Å; L80-F350 HydrophobicContact CD1-CE2 3.65Å; L80-F350 HydrophobicContact CD1-CZ 3.59Å; L80-F350 HydrophobicContact CG-CE2 4.46Å; L80-F350 HydrophobicContact CG-CZ 4.4Å; L80-F350 WeakPolarHBondContact O-CB 3.47Å; T336-F350 HydrophobicContact CG2-CD2 4.4Å; T336-F350 HydrophobicContact CG2-CE2 4.06Å; M338-F350 HydrophobicContact CE-CE2 4.44Å; M338-F350 HydrophobicContact CE-CZ 3.98Å; M338-F350 HydrophobicContact SD-CE2 3.68Å; M338-F350 HydrophobicContact SD-CZ 3.74Å; Y348-F350 HydrophobicContact CG-CZ 4.25Å
351	F	95.1	Very high	85.9	Confident	10 Å²	10	62.5 Å²	62.5	4%	0.044	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.5	-176.6	-47.7	-86	0	0	0	109.5	A72 G81 E82 Y83 L85 P102 L104 I330 Y333	A72-F351 HydrophobicContact CB-CD2 3.91Å; A72-F351 HydrophobicContact CB-CE2 4.04Å; G81-F351 CarbonylContact C-O 3.54Å; E82-F351 PolarHBondContact N-O 3.05Å; Y83-F351 PolarHBondContact N-O 3.28Å; Y83-F351 VanDerWaalsContact N-O 3.14Å; Y83-F351 PolarHBondContact O-N 3.2Å; L85-F351 HydrophobicContact CB-CE2 3.8Å; L85-F351 HydrophobicContact CB-CZ 4.4Å; P102-F351 HydrophobicContact CB-CE1 3.91Å; P102-F351 HydrophobicContact CB-CE2 4.44Å; P102-F351 HydrophobicContact CB-CZ 3.69Å; P102-F351 HydrophobicContact CG-CE1 3.94Å; P102-F351 HydrophobicContact CG-CZ 4.15Å; L104-F351 HydrophobicContact CD1-CB 4.36Å; L104-F351 HydrophobicContact CD2-CB 3.58Å; L104-F351 HydrophobicContact CD2-CD1 3.78Å; L104-F351 HydrophobicContact CD2-CD2 3.91Å; L104-F351 HydrophobicContact CD2-CE1 4.42Å; L104-F351 HydrophobicContact CD2-CG 3.48Å; L104-F351 VanDerWaalsContact CD2-CG 3.48Å; I330-F351 HydrophobicContact CD1-CE1 4.42Å; I330-F351 HydrophobicContact CD1-CZ 3.97Å; Y333-F351 AromaticContact CD1-CD1 3.98Å; Y333-F351 HydrophobicContact CD1-CD1 3.98Å; Y333-F351 AromaticContact CD1-CE1 3.52Å; Y333-F351 HydrophobicContact CD1-CE1 3.52Å; Y333-F351 AromaticContact CE1-CD1 3.86Å; Y333-F351 HydrophobicContact CE1-CD1 3.86Å; Y333-F351 AromaticContact CE1-CE1 3.62Å; Y333-F351 HydrophobicContact CE1-CE1 3.62Å; Y333-F351 HydrophobicContact CG-CE1 4.17Å
352	E	88.5	Confident	86.1	Confident	161 Å²	161	59.4 Å²	59.4	75%	0.752	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-84.6	152.8	166.3	-63.8	-173.4	172.5	0	0	109.3
353	Q	75.6	Confident	86.1	Confident	97 Å²	97	62 Å²	62	45%	0.453	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-70.6	133.9	172.4	-179.1	166.1	69.1	0	0	109.4	E82 Y83 S355	E82-Q353 WeakPolarHBondContact OE2-CB 3.46Å; E82-Q353 PolarHBondContact OE2-OE1 3.21Å; Y83-Q353 HydrophobicContact CE2-CB 4.47Å; Q353-S355 PolarHBondContact O-N 3.38Å
354	S	67.9	Low	86.5	Confident	67 Å²	67	64.5 Å²	64.5	47%	0.469	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-58.3	122.9	173.5	-50.5	0	0	0	0	109.1	E107	E107-S354 WeakPolarHBondContact OE1-CB 3.41Å; E107-S354 PolarHBondContact OE1-OG 2.96Å
355	S	54.7	Low	86.4	Confident	190 Å²	190	70.4 Å²	70.4	100%	1.329	38%	0.383	S	S	*	.			trans	-66.8	0	-178.3	60.2	0	0	0	0	113.8	Q353	Q353-S355 PolarHBondContact O-N 3.38Å

Retrieved 355 of 355 residues in 290.3 ms (Link to these results)

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