A0A077Z856_TRITR Loading...

Pre-rRNA-processing protein TSR1 homolog

Required during maturation of the 40S ribosomal subunit in the nucleolus.

AlphaFold DB , UniProt , Accession A0A077Z856, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 570 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	62.8	Low	73.1	Confident	77 Å²	77	90.9 Å²	90.9	38%	0.379	42%	0.422	S	S	.	.				0	156.3	0	-53.8	-173.9	-172.8	0	0	108.5	L16 L123 V124 P353	M1-L16 HydrophobicContact CB-CD2 4.08Å; M1-L16 HydrophobicContact CE-CD2 4.06Å; M1-L16 HydrophobicContact CG-CD2 3.52Å; M1-L16 HydrophobicContact SD-CD2 3.49Å; M1-L16 WeakPolarHBondContact SD-CD2 3.5Å; M1-L123 HydrophobicContact CE-CD1 3.48Å; M1-L123 VanDerWaalsContact CE-CD1 3.48Å; M1-L123 HydrophobicContact CE-CG 3.82Å; M1-L123 HydrophobicContact SD-CD1 3.83Å; M1-L123 HydrophobicContact SD-CD2 3.83Å; M1-L123 HydrophobicContact SD-CG 3.71Å; M1-V124 WeakPolarHBondContact CE-O 3.47Å; M1-P353 HydrophobicContact CE-CB 3.69Å
2	H	71.6	Confident	73.1	Confident	122 Å²	122	88 Å²	88	57%	0.565	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.6	176.4	-57.1	-73.9	0	0	0	111.6	C14 F15	H2-C14 WeakPolarHBondContact O-CA 3.2Å; H2-F15 HydrophobicContact CB-CB 4.42Å; H2-F15 PolarHBondContact N-O 2.99Å; H2-F15 PolarHBondContact O-N 3.07Å
3	F	72	Confident	73.3	Confident	46 Å²	46	82.4 Å²	82.4	20%	0.202	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.3	175.9	-67	-85.2	0	0	0	110.9	F13 C14 E125 Y140 H172	F3-F13 WeakPolarHBondContact CA-O 3.31Å; F3-C14 HydrophobicContact CD1-CB 3.8Å; F3-C14 HydrophobicContact CE1-CB 3.65Å; F3-C14 WeakPolarHBondContact CE1-SG 3.47Å; F3-C14 HydrophobicContact CZ-CB 4.49Å; F3-E125 HydrophobicContact CE2-CG 3.96Å; F3-Y140 HydrophobicContact CE1-CD2 4.11Å; F3-Y140 AromaticContact CE1-CE2 3.58Å; F3-Y140 HydrophobicContact CE1-CE2 3.58Å; F3-Y140 HydrophobicContact CE2-CE2 4.37Å; F3-Y140 HydrophobicContact CZ-CD2 4.03Å; F3-Y140 AromaticContact CZ-CE2 3.44Å; F3-Y140 HydrophobicContact CZ-CE2 3.44Å; F3-Y140 VanDerWaalsContact CZ-CE2 3.44Å; F3-H172 VanDerWaalsContact CB-CD2 3.44Å; F3-H172 WeakPolarHBondContact CB-CD2 3.44Å; F3-H172 AromaticContact CD2-CD2 3.37Å; F3-H172 WeakPolarHBondContact CD2-CD2 3.42Å; F3-H172 AromaticContact CD2-NE2 3.4Å; F3-H172 WeakPolarHBondContact CD2-NE2 3.36Å; F3-H172 AromaticContact CG-CD2 3.34Å; F3-H172 WeakPolarHBondContact CG-CD2 2.74Å; F3-H172 AromaticContact CG-NE2 3.78Å
4	C	72.4	Confident	73.5	Confident	38 Å²	38	79 Å²	79	26%	0.257	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.2	174.3	176.7	0	0	0	0	108.7	F13 F15	C4-F13 HydrophobicContact CB-CB 4.28Å; C4-F13 PolarHBondContact N-O 3.1Å; C4-F13 PolarHBondContact O-N 2.98Å; C4-F15 HydrophobicContact CB-CD2 4.27Å; C4-F15 HydrophobicContact CB-CE2 3.71Å
5	R	73.4	Confident	73.6	Confident	112 Å²	112	79.1 Å²	79.1	42%	0.423	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.7	177.8	-43.1	-177.4	-161.3	175.6	6.5	107.2	H172	R5-H172 PolarHBondContact NH2-ND1 3.02Å; R5-H172 VanDerWaalsContact NH2-ND1 3.14Å
6	L	76.4	Confident	73.5	Confident	36 Å²	36	75.9 Å²	75.9	19%	0.188	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	88	170.8	-64.3	179.3	0	0	0	108.9	E8 R9 R10 S11 F13 L102	L6-E8 VanDerWaalsContact C-N 3.3Å; L6-E8 PolarHBondContact O-N 2.72Å; L6-R9 HydrophobicContact CB-CB 4.21Å; L6-R9 PolarHBondContact O-N 2.8Å; L6-R9 VanDerWaalsContact O-N 3.07Å; L6-R10 PolarHBondContact O-N 3.37Å; L6-S11 PolarHBondContact N-O 3.42Å; L6-S11 PolarHBondContact O-N 3.14Å; L6-F13 HydrophobicContact CD1-CD2 4.26Å; L6-F13 HydrophobicContact CD1-CE2 3.89Å; L6-L102 HydrophobicContact CD1-CB 4.38Å; L6-L102 HydrophobicContact CD1-CD1 4.13Å; L6-L102 HydrophobicContact CD1-CD2 4.46Å
7	P	75.6	Confident	73.4	Confident	97 Å²	97	77.2 Å²	77.2	63%	0.63	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-56.9	-42.6	-179.2	-25.1	35.1	0	0	0	112.4	R9 R10	P7-R9 PolarHBondContact O-N 3.07Å; P7-R10 PolarHBondContact O-N 2.88Å
8	E	76.9	Confident	73.3	Confident	179 Å²	179	75.3 Å²	75.3	84%	0.836	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-50.3	-29	175.1	-61.4	177.9	-177.9	0	0	114	L6	L6-E8 VanDerWaalsContact C-N 3.3Å; L6-E8 PolarHBondContact O-N 2.72Å
9	R	70.5	Confident	73.1	Confident	63 Å²	63	75.1 Å²	75.1	24%	0.238	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-110.6	3.6	-175.6	-64.7	-174.3	178.2	154.1	7.6	113.4	L6 P7 S11 D99	L6-R9 HydrophobicContact CB-CB 4.21Å; L6-R9 PolarHBondContact O-N 2.8Å; L6-R9 VanDerWaalsContact O-N 3.07Å; P7-R9 PolarHBondContact O-N 3.07Å; R9-S11 WeakPolarHBondContact CB-OG 3.41Å; R9-S11 PolarHBondContact O-N 2.68Å; R9-S11 VanDerWaalsContact O-N 3.1Å; R9-D99 IonicContact CZ-OD1 3.08Å; R9-D99 IonicContact CZ-OD2 3.97Å; R9-D99 IonicContact NH1-OD1 2.68Å; R9-D99 PolarHBondContact NH1-OD1 3.08Å; R9-D99 IonicContact NH1-OD2 3.98Å; R9-D99 VanDerWaalsContact NH2-CG 3.26Å; R9-D99 IonicContact NH2-OD1 2.68Å; R9-D99 PolarHBondContact NH2-OD1 3.23Å; R9-D99 IonicContact NH2-OD2 3.07Å; R9-D99 PolarHBondContact NH2-OD2 2.8Å; R9-D99 VanDerWaalsContact NH2-OD2 3.07Å
10	R	78.8	Confident	72.8	Confident	213 Å²	213	73.3 Å²	73.3	80%	0.804	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	35.6	-174.3	-58.2	-179	177.7	-179	-2.1	112.2	L6 P7	L6-R10 PolarHBondContact O-N 3.37Å; P7-R10 PolarHBondContact O-N 2.88Å
11	S	74.1	Confident	72.7	Confident	17 Å²	17	77.8 Å²	77.8	12%	0.119	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.9	-170.2	67.2	0	0	0	0	112	L6 R9 F13	L6-S11 PolarHBondContact N-O 3.42Å; L6-S11 PolarHBondContact O-N 3.14Å; R9-S11 WeakPolarHBondContact CB-OG 3.41Å; R9-S11 PolarHBondContact O-N 2.68Å; R9-S11 VanDerWaalsContact O-N 3.1Å; S11-F13 WeakPolarHBondContact OG-CE2 3.3Å
12	R	72.6	Confident	73	Confident	56 Å²	56	76.1 Å²	76.1	21%	0.211	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.9	169	-163.2	-174.7	-52.8	170.2	10.1	110	Y140 D170 H172 L174	R12-Y140 VanDerWaalsContact NH1-CE1 3.35Å; R12-D170 IonicContact CZ-OD1 3.66Å; R12-D170 IonicContact CZ-OD2 3.23Å; R12-D170 VanDerWaalsContact CZ-OD2 3.23Å; R12-D170 VanDerWaalsContact NH1-CG 3.27Å; R12-D170 IonicContact NH1-OD1 2.82Å; R12-D170 PolarHBondContact NH1-OD1 3.28Å; R12-D170 IonicContact NH1-OD2 2.89Å; R12-D170 PolarHBondContact NH1-OD2 2.74Å; R12-D170 IonicContact NH2-OD1 3.75Å; R12-D170 IonicContact NH2-OD2 2.67Å; R12-D170 PolarHBondContact NH2-OD2 3.09Å; R12-H172 PolarHBondContact NE-O 3.05Å; R12-H172 PolarHBondContact NH1-O 3.45Å; R12-H172 PolarHBondContact NH2-O 3.23Å; R12-L174 HydrophobicContact CB-CD2 4.12Å
13	F	76.4	Confident	73	Confident	15 Å²	15	72.7 Å²	72.7	7%	0.066	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.3	171.9	-65.6	-89.9	0	0	0	109.9	F3 C4 L6 S11 F15 L102 M105	F3-F13 WeakPolarHBondContact CA-O 3.31Å; C4-F13 HydrophobicContact CB-CB 4.28Å; C4-F13 PolarHBondContact N-O 3.1Å; C4-F13 PolarHBondContact O-N 2.98Å; L6-F13 HydrophobicContact CD1-CD2 4.26Å; L6-F13 HydrophobicContact CD1-CE2 3.89Å; S11-F13 WeakPolarHBondContact OG-CE2 3.3Å; F13-F15 HydrophobicContact CB-CD2 4.46Å; F13-F15 HydrophobicContact CB-CE2 3.84Å; F13-F15 HydrophobicContact CB-CZ 3.95Å; F13-F15 HydrophobicContact CG-CZ 4.36Å; F13-L102 HydrophobicContact CD2-CD2 4.44Å; F13-L102 HydrophobicContact CE2-CD2 4.32Å; F13-L102 HydrophobicContact CZ-CD2 4.43Å; F13-M105 HydrophobicContact CD1-CE 4.36Å; F13-M105 HydrophobicContact CE1-CB 3.74Å; F13-M105 HydrophobicContact CE1-CE 4.09Å; F13-M105 HydrophobicContact CZ-CB 4.25Å
14	C	75.1	Confident	73.3	Confident	35 Å²	35	70.9 Å²	70.9	24%	0.236	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.8	167.3	-177.8	0	0	0	0	106.8	H2 F3	H2-C14 WeakPolarHBondContact O-CA 3.2Å; F3-C14 HydrophobicContact CD1-CB 3.8Å; F3-C14 HydrophobicContact CE1-CB 3.65Å; F3-C14 WeakPolarHBondContact CE1-SG 3.47Å; F3-C14 HydrophobicContact CZ-CB 4.49Å
15	F	75.7	Confident	73.4	Confident	80 Å²	80	69.9 Å²	69.9	35%	0.351	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.7	178.1	-62.8	-74.9	0	0	0	109.3	H2 C4 F13 L102 M105	H2-F15 HydrophobicContact CB-CB 4.42Å; H2-F15 PolarHBondContact N-O 2.99Å; H2-F15 PolarHBondContact O-N 3.07Å; C4-F15 HydrophobicContact CB-CD2 4.27Å; C4-F15 HydrophobicContact CB-CE2 3.71Å; F13-F15 HydrophobicContact CB-CD2 4.46Å; F13-F15 HydrophobicContact CB-CE2 3.84Å; F13-F15 HydrophobicContact CB-CZ 3.95Å; F13-F15 HydrophobicContact CG-CZ 4.36Å; F15-L102 HydrophobicContact CZ-CD2 4.12Å; F15-M105 HydrophobicContact CE1-CE 4.26Å; F15-M105 HydrophobicContact CZ-CE 4.47Å
16	L	72.6	Confident	73.5	Confident	29 Å²	29	65.7 Å²	65.7	15%	0.152	34%	0.337	C	S	.	.			trans	-107	118.2	174.1	-56.4	-179	0	0	0	107.9	M1 P18 L33 L123	M1-L16 HydrophobicContact CB-CD2 4.08Å; M1-L16 HydrophobicContact CE-CD2 4.06Å; M1-L16 HydrophobicContact CG-CD2 3.52Å; M1-L16 HydrophobicContact SD-CD2 3.49Å; M1-L16 WeakPolarHBondContact SD-CD2 3.5Å; L16-P18 WeakPolarHBondContact O-CD 3.45Å; L16-L33 HydrophobicContact CD1-CD2 4.3Å; L16-L123 HydrophobicContact CD1-CD1 4.18Å; L16-L123 HydrophobicContact CD2-CD1 4.14Å; L16-L123 HydrophobicContact CD2-CD2 4.44Å
17	C	70.8	Confident	73.6	Confident	97 Å²	97	65 Å²	65	66%	0.655	33%	0.334	S	S	*	.			trans	-105.6	98.5	171.7	-62.3	0	0	0	0	107.3
18	P	72.8	Confident	73.8	Confident	44 Å²	44	61 Å²	61	29%	0.286	31%	0.307	S	S	.	.			trans	-76.8	152.1	173.3	30.5	-33.2	0	0	0	111.2	L16 A20 V26	L16-P18 WeakPolarHBondContact O-CD 3.45Å; P18-A20 PolarHBondContact O-N 2.94Å; P18-V26 HydrophobicContact CB-CG2 4.01Å; P18-V26 HydrophobicContact CG-CG2 4.14Å
19	D	68.6	Low	73.8	Confident	71 Å²	71	52.7 Å²	52.7	38%	0.38	27%	0.269	S	S	.	.			trans	-70.8	113.3	172.7	-67.9	-52.2	0	0	0	110.5	I21 N22 H352	D19-I21 PolarHBondContact O-N 3.27Å; D19-I21 VanDerWaalsContact O-N 3.08Å; D19-N22 PolarHBondContact O-N 3.37Å; D19-H352 IonicContact OD2-CE1 3.26Å; D19-H352 PolarHBondContact OD2-CE1 3.45Å; D19-H352 IonicContact OD2-ND1 2.88Å; D19-H352 PolarHBondContact OD2-ND1 2.85Å
20	A	68	Low	74	Confident	39 Å²	39	51.1 Å²	51.1	32%	0.322	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.1	-173.9	0	0	0	0	0	114.2	P18	P18-A20 PolarHBondContact O-N 2.94Å
21	I	69.5	Low	73.9	Confident	167 Å²	167	42.2 Å²	42.2	86%	0.856	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-41.4	174.3	-58.7	174	0	0	0	110.1	D19 M23	D19-I21 PolarHBondContact O-N 3.27Å; D19-I21 VanDerWaalsContact O-N 3.08Å; I21-M23 PolarHBondContact O-N 3.39Å
22	N	70.5	Confident	74	Confident	42 Å²	42	42 Å²	42	23%	0.225	23%	0.23	C	C	.	.			trans	-90.9	96.3	-177.5	-167.5	3.6	0	0	0	111.3	D19 V24 D25 V26	D19-N22 PolarHBondContact O-N 3.37Å; N22-V24 PolarHBondContact O-N 3.38Å; N22-V24 WeakPolarHBondContact OD1-CB 3.38Å; N22-V24 VanDerWaalsContact OD1-CG2 3.31Å; N22-V24 WeakPolarHBondContact OD1-CG2 3.44Å; N22-V24 PolarHBondContact OD1-N 3.2Å; N22-V24 VanDerWaalsContact OD1-N 3.15Å; N22-D25 HydrophobicContact CB-CB 4.48Å; N22-D25 VanDerWaalsContact CB-OD2 3.24Å; N22-D25 WeakPolarHBondContact CB-OD2 3.37Å; N22-D25 VanDerWaalsContact CG-OD2 3.25Å; N22-D25 VanDerWaalsContact ND2-CG 3.26Å; N22-D25 PolarHBondContact ND2-OD1 2.91Å; N22-D25 PolarHBondContact ND2-OD2 2.87Å; N22-D25 PolarHBondContact O-N 3.42Å; N22-D25 VanDerWaalsContact O-N 3.13Å; N22-V26 PolarHBondContact O-N 3.42Å
23	M	71.5	Confident	73.9	Confident	50 Å²	50	42.5 Å²	42.5	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-56.2	-25.8	176.3	-65.7	-155.1	-60.8	0	0	113.2	I21 L27 F55 L448	I21-M23 PolarHBondContact O-N 3.39Å; M23-L27 WeakPolarHBondContact O-CB 3.38Å; M23-L27 WeakPolarHBondContact O-CD1 3.43Å; M23-L27 WeakPolarHBondContact O-CG 3.38Å; M23-L27 PolarHBondContact O-N 2.68Å; M23-F55 HydrophobicContact SD-CB 4.45Å; M23-F55 HydrophobicContact SD-CD1 4.46Å; M23-L448 HydrophobicContact CE-CB 3.93Å; M23-L448 WeakPolarHBondContact CE-O 3.44Å
24	V	76.6	Confident	73.3	Confident	8 Å²	8	45 Å²	45	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-43.2	179.6	-176.4	0	0	0	0	111	N22 D28 R397 L448 L559	N22-V24 PolarHBondContact O-N 3.38Å; N22-V24 WeakPolarHBondContact OD1-CB 3.38Å; N22-V24 VanDerWaalsContact OD1-CG2 3.31Å; N22-V24 WeakPolarHBondContact OD1-CG2 3.44Å; N22-V24 PolarHBondContact OD1-N 3.2Å; N22-V24 VanDerWaalsContact OD1-N 3.15Å; V24-D28 PolarHBondContact O-N 2.8Å; V24-R397 VanDerWaalsContact CG1-NH1 3.35Å; V24-R397 PolarHBondContact O-NH2 2.91Å; V24-L448 HydrophobicContact CG2-CD1 4.03Å; V24-L559 HydrophobicContact CG2-CD1 3.99Å
25	D	75.2	Confident	72.2	Confident	18 Å²	18	44.2 Å²	44.2	10%	0.096	25%	0.246	C	C	.	.	H	α-helix	trans	-78.2	-37.9	-178.7	-57.5	-34.9	0	0	0	112.4	N22 L27 D28 S29 H352	N22-D25 HydrophobicContact CB-CB 4.48Å; N22-D25 VanDerWaalsContact CB-OD2 3.24Å; N22-D25 WeakPolarHBondContact CB-OD2 3.37Å; N22-D25 VanDerWaalsContact CG-OD2 3.25Å; N22-D25 VanDerWaalsContact ND2-CG 3.26Å; N22-D25 PolarHBondContact ND2-OD1 2.91Å; N22-D25 PolarHBondContact ND2-OD2 2.87Å; N22-D25 PolarHBondContact O-N 3.42Å; N22-D25 VanDerWaalsContact O-N 3.13Å; D25-L27 VanDerWaalsContact C-N 3.25Å; D25-L27 PolarHBondContact O-N 2.89Å; D25-D28 PolarHBondContact O-N 2.85Å; D25-S29 VanDerWaalsContact O-CB 3.27Å; D25-S29 WeakPolarHBondContact O-CB 3.5Å; D25-S29 PolarHBondContact O-N 3.22Å; D25-S29 PolarHBondContact O-OG 3.29Å; D25-H352 HydrophobicContact CB-CB 4.47Å; D25-H352 IonicContact OD1-CD2 3.94Å; D25-H352 IonicContact OD1-CG 3.71Å; D25-H352 IonicContact OD2-CD2 3.82Å; D25-H352 PolarHBondContact OD2-CD2 2.74Å; D25-H352 IonicContact OD2-CE1 2.74Å; D25-H352 PolarHBondContact OD2-CE1 3.25Å; D25-H352 IonicContact OD2-CG 2.7Å; D25-H352 IonicContact OD2-ND1 3.11Å; D25-H352 PolarHBondContact OD2-ND1 3.35Å; D25-H352 IonicContact OD2-NE2 3.4Å; D25-H352 PolarHBondContact OD2-NE2 2.89Å
26	V	74.9	Confident	70.9	Confident	23 Å²	23	44 Å²	44	14%	0.139	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-45.4	171.7	176.9	0	0	0	0	109.3	P18 N22 L30 M50	P18-V26 HydrophobicContact CB-CG2 4.01Å; P18-V26 HydrophobicContact CG-CG2 4.14Å; N22-V26 PolarHBondContact O-N 3.42Å; V26-L30 HydrophobicContact CG1-CD1 3.94Å; V26-L30 HydrophobicContact CG1-CG 4.46Å; V26-L30 WeakPolarHBondContact O-CB 3.33Å; V26-L30 WeakPolarHBondContact O-CD1 3.48Å; V26-L30 WeakPolarHBondContact O-CG 2.91Å; V26-L30 PolarHBondContact O-N 3.04Å; V26-M50 HydrophobicContact CG1-CE 3.98Å
27	L	78.8	Confident	69.4	Low	22 Å²	22	45.2 Å²	45.2	12%	0.115	25%	0.25	C	S	.	.	H	α-helix	trans	-66.5	-38	179.8	-72.9	167.3	0	0	0	113.3	M23 D25 K31 F55 F443	M23-L27 WeakPolarHBondContact O-CB 3.38Å; M23-L27 WeakPolarHBondContact O-CD1 3.43Å; M23-L27 WeakPolarHBondContact O-CG 3.38Å; M23-L27 PolarHBondContact O-N 2.68Å; D25-L27 VanDerWaalsContact C-N 3.25Å; D25-L27 PolarHBondContact O-N 2.89Å; L27-K31 VanDerWaalsContact O-CG 3.29Å; L27-K31 WeakPolarHBondContact O-CG 3.22Å; L27-K31 PolarHBondContact O-N 3.44Å; L27-F55 HydrophobicContact CD2-CZ 4.46Å; L27-F443 HydrophobicContact CD1-CE2 4.21Å; L27-F443 HydrophobicContact CD1-CZ 3.66Å
28	D	80.3	Confident	67.8	Low	13 Å²	13	42.5 Å²	42.5	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-74.9	-40.3	176.5	-76.8	-17.6	0	0	0	113.1	V24 D25 L30 K31 V32 R397	V24-D28 PolarHBondContact O-N 2.8Å; D25-D28 PolarHBondContact O-N 2.85Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.06Å; D28-K31 WeakPolarHBondContact O-CB 3.36Å; D28-K31 PolarHBondContact O-N 3.37Å; D28-K31 WeakPolarHBondContact OD1-CE 3.47Å; D28-K31 IonicContact OD1-NZ 3.95Å; D28-K31 PolarHBondContact OD1-NZ 3.12Å; D28-V32 PolarHBondContact O-N 2.73Å; D28-V32 VanDerWaalsContact O-N 3.16Å; D28-R397 IonicContact OD1-CZ 3.65Å; D28-R397 IonicContact OD1-NH1 3.04Å; D28-R397 IonicContact OD1-NH2 3.49Å; D28-R397 PolarHBondContact OD1-NH2 2.92Å; D28-R397 IonicContact OD2-CZ 3.76Å; D28-R397 IonicContact OD2-NH1 3.75Å; D28-R397 PolarHBondContact OD2-NH1 3.37Å; D28-R397 IonicContact OD2-NH2 3.09Å; D28-R397 PolarHBondContact OD2-NH2 2.82Å
29	S	76.6	Confident	66.3	Low	4 Å²	4	45.8 Å²	45.8	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-54.9	-48.5	173.1	-61.2	0	0	0	0	110.5	D25 K31 V32 L33 P353	D25-S29 VanDerWaalsContact O-CB 3.27Å; D25-S29 WeakPolarHBondContact O-CB 3.5Å; D25-S29 PolarHBondContact O-N 3.22Å; D25-S29 PolarHBondContact O-OG 3.29Å; S29-K31 VanDerWaalsContact C-N 3.28Å; S29-K31 PolarHBondContact O-N 3.09Å; S29-V32 PolarHBondContact O-N 2.8Å; S29-L33 WeakPolarHBondContact O-CG 3.5Å; S29-L33 PolarHBondContact O-N 3.07Å; S29-P353 VanDerWaalsContact OG-CG 3.26Å; S29-P353 WeakPolarHBondContact OG-CG 3.32Å
30	L	74.5	Confident	64.8	Low	31 Å²	31	51.5 Å²	51.5	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-29	175.7	-71.2	171	0	0	0	114.1	V26 D28 V32 L33 M50	V26-L30 HydrophobicContact CG1-CD1 3.94Å; V26-L30 HydrophobicContact CG1-CG 4.46Å; V26-L30 WeakPolarHBondContact O-CB 3.33Å; V26-L30 WeakPolarHBondContact O-CD1 3.48Å; V26-L30 WeakPolarHBondContact O-CG 2.91Å; V26-L30 PolarHBondContact O-N 3.04Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.06Å; L30-V32 VanDerWaalsContact C-N 3.34Å; L30-L33 HydrophobicContact CD2-CD1 4.1Å; L30-M50 HydrophobicContact CD1-CB 4.01Å; L30-M50 HydrophobicContact CD1-CE 3.67Å; L30-M50 HydrophobicContact CD1-CG 3.9Å; L30-M50 HydrophobicContact CD2-CG 4.42Å
31	K	77.8	Confident	63	Low	26 Å²	26	57.3 Å²	57.3	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-73.6	-24.5	174.2	-70.8	168.4	-153.9	170	0	112.7	L27 D28 S29 Q116 R121 G394	L27-K31 VanDerWaalsContact O-CG 3.29Å; L27-K31 WeakPolarHBondContact O-CG 3.22Å; L27-K31 PolarHBondContact O-N 3.44Å; D28-K31 WeakPolarHBondContact O-CB 3.36Å; D28-K31 PolarHBondContact O-N 3.37Å; D28-K31 WeakPolarHBondContact OD1-CE 3.47Å; D28-K31 IonicContact OD1-NZ 3.95Å; D28-K31 PolarHBondContact OD1-NZ 3.12Å; S29-K31 VanDerWaalsContact C-N 3.28Å; S29-K31 PolarHBondContact O-N 3.09Å; K31-Q116 PolarHBondContact O-NE2 3.21Å; K31-R121 PolarHBondContact O-NH1 3.33Å; K31-G394 WeakPolarHBondContact CD-O 3.36Å; K31-G394 WeakPolarHBondContact CE-O 3.34Å; K31-G394 PolarHBondContact NZ-O 2.93Å
32	V	75.9	Confident	61.1	Low	12 Å²	12	51.5 Å²	51.5	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-90.8	-31.8	177.8	-174.1	0	0	0	0	112.7	D28 S29 L30 T34 R121 L123 V355	D28-V32 PolarHBondContact O-N 2.73Å; D28-V32 VanDerWaalsContact O-N 3.16Å; S29-V32 PolarHBondContact O-N 2.8Å; L30-V32 VanDerWaalsContact C-N 3.34Å; V32-T34 PolarHBondContact O-N 3.38Å; V32-R121 PolarHBondContact O-NH1 2.99Å; V32-L123 HydrophobicContact CG1-CD1 4.06Å; V32-V355 HydrophobicContact CG2-CB 4.01Å; V32-V355 HydrophobicContact CG2-CG1 3.31Å; V32-V355 HydrophobicContact CG2-CG2 3.49Å; V32-V355 VanDerWaalsContact CG2-CG2 3.49Å
33	L	71	Confident	59.1	Low	67 Å²	67	51.4 Å²	51.4	35%	0.351	27%	0.273	S	S	.	.	S	Bend	trans	-49.2	134	178.3	-71.8	-178.1	0	0	0	112.1	L16 S29 L30 Q116	L16-L33 HydrophobicContact CD1-CD2 4.3Å; S29-L33 WeakPolarHBondContact O-CG 3.5Å; S29-L33 PolarHBondContact O-N 3.07Å; L30-L33 HydrophobicContact CD2-CD1 4.1Å; L33-Q116 PolarHBondContact O-NE2 2.77Å
34	T	62.1	Low	57.3	Low	67 Å²	67	51.7 Å²	51.7	41%	0.411	28%	0.277	S	S	.	.			trans	-86.2	117.2	176.8	-55	0	0	0	0	108.3	V32 R36 T110	V32-T34 PolarHBondContact O-N 3.38Å; T34-R36 PolarHBondContact O-N 2.88Å; T34-T110 HydrophobicContact CG2-CG2 3.48Å; T34-T110 VanDerWaalsContact CG2-CG2 3.48Å
35	L	52.9	Low	55.4	Low	18 Å²	18	53 Å²	53	9%	0.094	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	111.7	-173.2	-53	-171	0	0	0	110.1	S47 T110 K111 L113	L35-S47 WeakPolarHBondContact CD1-OG 3.46Å; L35-S47 WeakPolarHBondContact CD2-OG 3.5Å; L35-T110 CarbonylContact O-C 3.45Å; L35-T110 WeakPolarHBondContact O-CA 3.12Å; L35-K111 PolarHBondContact O-N 2.76Å; L35-L113 HydrophobicContact CD1-CD2 3.72Å; L35-L113 HydrophobicContact CD1-CG 4.04Å
36	R	47.7	Very low	53.3	Low	76 Å²	76	56.2 Å²	56.2	29%	0.287	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.4	172.8	-74.5	-165.7	180	157	3.2	109.4	T34 S45 M105 C108 S109 T110	T34-R36 PolarHBondContact O-N 2.88Å; R36-S45 PolarHBondContact O-OG 3.37Å; R36-M105 WeakPolarHBondContact CD-O 3.13Å; R36-M105 PolarHBondContact NE-O 3.35Å; R36-M105 VanDerWaalsContact NH1-C 3.27Å; R36-M105 PolarHBondContact NH1-O 3.3Å; R36-C108 HydrophobicContact CB-CB 3.67Å; R36-C108 HydrophobicContact CG-CB 4.31Å; R36-S109 WeakPolarHBondContact CA-O 3.37Å; R36-T110 HydrophobicContact CG-CG2 3.59Å
37	N	41.8	Very low	51.3	Low	55 Å²	55	55.7 Å²	55.7	29%	0.294	30%	0.301	S	S	.	.			trans	-138.6	129.7	-176.2	-172.3	-5	0	0	0	108.7	I43 S109	N37-I43 PolarHBondContact OD1-O 3.41Å; N37-S109 PolarHBondContact N-O 2.94Å; N37-S109 VanDerWaalsContact O-O 3.14Å
38	N	37.8	Very low	49.1	Very low	39 Å²	39	59.4 Å²	59.4	21%	0.209	32%	0.32	C	S	.	.			trans	-101.5	108.7	-179.3	-145.1	-35.4	0	0	0	109.9	K40 K41 I43 C108	N38-K40 PolarHBondContact O-N 3.28Å; N38-K40 VanDerWaalsContact O-N 3.12Å; N38-K41 CarbonylContact O-C 3.51Å; N38-K41 VanDerWaalsContact O-C 3.31Å; N38-K41 PolarHBondContact O-N 2.99Å; N38-I43 HydrophobicContact CB-CD1 4.24Å; N38-C108 VanDerWaalsContact CB-SG 3.56Å; N38-C108 PolarHBondContact ND2-SG 3.23Å
39	S	41	Very low	46.9	Very low	114 Å²	114	59.3 Å²	59.3	80%	0.797	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.7	-172.3	59.4	0	0	0	0	114.1
40	K	35.7	Very low	45	Very low	191 Å²	191	59.7 Å²	59.7	83%	0.83	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-13.3	-178.1	-66.7	-174.5	175.3	-177.5	0	114.5	N38	N38-K40 PolarHBondContact O-N 3.28Å; N38-K40 VanDerWaalsContact O-N 3.12Å
41	K	31.6	Very low	43.3	Very low	160 Å²	160	64.1 Å²	64.1	70%	0.696	34%	0.341	S	S	*	.	S	Bend	trans	-146.3	97.6	176.3	-68.8	-176.4	-178.7	173.8	0	107.3	N38 I43	N38-K41 CarbonylContact O-C 3.51Å; N38-K41 VanDerWaalsContact O-C 3.31Å; N38-K41 PolarHBondContact O-N 2.99Å; K41-I43 WeakPolarHBondContact O-CG1 3.38Å; K41-I43 PolarHBondContact O-N 3.23Å
42	G	28.3	Very low	41.4	Very low	45 Å²	45	72.5 Å²	72.5	46%	0.464	37%	0.372	S	S	.	.			trans	-49.2	107.9	-172.8	0	0	0	0	0	111.6	K86 G87	G42-K86 CarbonylContact O-C 3.31Å; G42-K86 VanDerWaalsContact O-C 3.25Å; G42-G87 WeakPolarHBondContact O-CA 3.46Å
43	I	30.1	Very low	39.5	Very low	41 Å²	41	73.4 Å²	73.4	21%	0.21	38%	0.376	C	S	.	.			trans	-127.6	88.8	174.5	-69.5	154.9	0	0	0	104.6	N37 N38 K41 S45 L104	N37-I43 PolarHBondContact OD1-O 3.41Å; N38-I43 HydrophobicContact CB-CD1 4.24Å; K41-I43 WeakPolarHBondContact O-CG1 3.38Å; K41-I43 PolarHBondContact O-N 3.23Å; I43-S45 PolarHBondContact O-N 2.84Å; I43-L104 HydrophobicContact CD1-CD1 3.85Å; I43-L104 HydrophobicContact CD1-CD2 3.86Å; I43-L104 HydrophobicContact CD1-CG 4.34Å
44	V	33	Very low	38	Very low	55 Å²	55	71.5 Å²	71.5	33%	0.333	37%	0.368	S	S	.	.			trans	-78.4	106.4	170.5	178	0	0	0	0	106.5	L48 L85	V44-L48 HydrophobicContact CG1-CB 3.85Å; V44-L48 HydrophobicContact CG1-CD2 4.27Å; V44-L85 HydrophobicContact CB-CD2 4.12Å; V44-L85 HydrophobicContact CG1-CD2 4.32Å
45	S	35.7	Very low	37	Very low	35 Å²	35	70.2 Å²	70.2	25%	0.245	36%	0.357	C	S	.	.			trans	-57	139.2	175.1	22.6	0	0	0	0	110.4	R36 I43 S47 L48	R36-S45 PolarHBondContact O-OG 3.37Å; I43-S45 PolarHBondContact O-N 2.84Å; S45-S47 PolarHBondContact O-N 2.91Å; S45-L48 PolarHBondContact O-N 2.67Å
46	L	32.6	Very low	36.2	Very low	87 Å²	87	77.6 Å²	77.6	46%	0.455	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.7	-161.2	-139.2	75	0	0	0	114.8	L48 A49 M50	L46-L48 VanDerWaalsContact C-N 3.27Å; L46-L48 PolarHBondContact O-N 3.31Å; L46-A49 WeakPolarHBondContact O-CA 3.11Å; L46-A49 WeakPolarHBondContact O-CB 3.44Å; L46-A49 PolarHBondContact O-N 2.89Å; L46-M50 WeakPolarHBondContact O-CG 3.5Å; L46-M50 PolarHBondContact O-N 2.82Å
47	S	33.1	Very low	35.6	Very low	12 Å²	12	77.7 Å²	77.7	8%	0.084	39%	0.394	C	S	.	.	H	α-helix	trans	-56	-33	-177.4	69.4	0	0	0	0	114.7	L35 S45 A49 M50	L35-S47 WeakPolarHBondContact CD1-OG 3.46Å; L35-S47 WeakPolarHBondContact CD2-OG 3.5Å; S45-S47 PolarHBondContact O-N 2.91Å; S47-A49 VanDerWaalsContact C-N 3.29Å; S47-M50 PolarHBondContact O-N 2.91Å
48	L	32.6	Very low	35.3	Very low	99 Å²	99	76.6 Å²	76.6	52%	0.518	39%	0.388	S	S	.	.	H	α-helix	trans	-73.1	-27.4	178.9	-141.7	79.7	0	0	0	111.6	V44 S45 L46 L113	V44-L48 HydrophobicContact CG1-CB 3.85Å; V44-L48 HydrophobicContact CG1-CD2 4.27Å; S45-L48 PolarHBondContact O-N 2.67Å; L46-L48 VanDerWaalsContact C-N 3.27Å; L46-L48 PolarHBondContact O-N 3.31Å; L48-L113 HydrophobicContact CD1-CD2 4.47Å
49	A	33.3	Very low	35	Very low	12 Å²	12	79.5 Å²	79.5	10%	0.099	40%	0.402	C	S	.	.	H	α-helix	trans	-82.4	-34.6	173.5	0	0	0	0	0	112.2	L46 S47 K51 R52 L53 L85	L46-A49 WeakPolarHBondContact O-CA 3.11Å; L46-A49 WeakPolarHBondContact O-CB 3.44Å; L46-A49 PolarHBondContact O-N 2.89Å; S47-A49 VanDerWaalsContact C-N 3.29Å; A49-K51 PolarHBondContact O-N 3.29Å; A49-K51 VanDerWaalsContact O-N 3.13Å; A49-R52 CarbonylContact O-C 3.59Å; A49-R52 PolarHBondContact O-N 3.34Å; A49-L53 HydrophobicContact CB-CD1 3.73Å; A49-L53 HydrophobicContact CB-CG 4.37Å; A49-L53 WeakPolarHBondContact O-CB 3.4Å; A49-L53 WeakPolarHBondContact O-CG 3.34Å; A49-L53 PolarHBondContact O-N 3.05Å; A49-L85 HydrophobicContact CB-CD1 3.59Å; A49-L85 HydrophobicContact CB-CD2 4.18Å; A49-L85 HydrophobicContact CB-CG 4.13Å
50	M	37.1	Very low	34.3	Very low	12 Å²	12	82.3 Å²	82.3	6%	0.059	40%	0.396	C	S	.	.	H	α-helix	trans	-55	-30.9	174.3	-62.4	-72.1	-90.5	0	0	112.3	V26 L30 L46 S47 R52 F55 I58	V26-M50 HydrophobicContact CG1-CE 3.98Å; L30-M50 HydrophobicContact CD1-CB 4.01Å; L30-M50 HydrophobicContact CD1-CE 3.67Å; L30-M50 HydrophobicContact CD1-CG 3.9Å; L30-M50 HydrophobicContact CD2-CG 4.42Å; L46-M50 WeakPolarHBondContact O-CG 3.5Å; L46-M50 PolarHBondContact O-N 2.82Å; S47-M50 PolarHBondContact O-N 2.91Å; M50-R52 VanDerWaalsContact C-N 3.28Å; M50-R52 PolarHBondContact O-N 2.87Å; M50-F55 WeakPolarHBondContact O-CZ 3.44Å; M50-I58 HydrophobicContact CE-CD1 4.46Å; M50-I58 HydrophobicContact CE-CG2 4.07Å; M50-I58 HydrophobicContact SD-CD1 3.76Å; M50-I58 HydrophobicContact SD-CG2 4.21Å
51	K	38.3	Very low	34	Very low	124 Å²	124	77.3 Å²	77.3	54%	0.539	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.8	176	-68.6	-174.8	178.3	179.8	0	115.1	A49	A49-K51 PolarHBondContact O-N 3.29Å; A49-K51 VanDerWaalsContact O-N 3.13Å
52	R	36.9	Very low	33.8	Very low	201 Å²	201	76.7 Å²	76.7	76%	0.758	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	-1.8	-174.6	-72.9	-174.7	173.2	-176.8	-1.6	114.8	A49 M50	A49-R52 CarbonylContact O-C 3.59Å; A49-R52 PolarHBondContact O-N 3.34Å; M50-R52 VanDerWaalsContact C-N 3.28Å; M50-R52 PolarHBondContact O-N 2.87Å
53	L	36.3	Very low	33.7	Very low	32 Å²	32	78.8 Å²	78.8	17%	0.168	37%	0.371	C	S	.	.	S	Bend	trans	-100.1	143.5	179.1	-76.9	170.4	0	0	0	111.7	A49 F55 I58 Y79 A80	A49-L53 HydrophobicContact CB-CD1 3.73Å; A49-L53 HydrophobicContact CB-CG 4.37Å; A49-L53 WeakPolarHBondContact O-CB 3.4Å; A49-L53 WeakPolarHBondContact O-CG 3.34Å; A49-L53 PolarHBondContact O-N 3.05Å; L53-F55 PolarHBondContact O-N 3.16Å; L53-I58 HydrophobicContact CB-CD1 4.48Å; L53-Y79 HydrophobicContact CD2-CD1 3.92Å; L53-Y79 HydrophobicContact CD2-CE1 4.12Å; L53-A80 HydrophobicContact CD1-CB 4.41Å; L53-A80 HydrophobicContact CD2-CB 4.35Å
54	P	39.7	Very low	33.5	Very low	27 Å²	27	83.6 Å²	83.6	18%	0.175	40%	0.396	C	S	.	.			trans	-66.2	117.4	174.1	23.9	-31.3	0	0	0	112.1	K56 Y79 L378	P54-K56 VanDerWaalsContact C-N 3.32Å; P54-K56 PolarHBondContact O-N 3.39Å; P54-Y79 HydrophobicContact CG-CE1 4.35Å; P54-L378 HydrophobicContact CB-CD1 3.37Å; P54-L378 HydrophobicContact CB-CG 4.11Å
55	F	40.9	Very low	33.1	Very low	39 Å²	39	89.7 Å²	89.7	17%	0.171	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-62.9	-24.4	-170.2	-77	-90.3	0	0	0	116.3	M23 L27 M50 L53 N57 I58 L450	M23-F55 HydrophobicContact SD-CB 4.45Å; M23-F55 HydrophobicContact SD-CD1 4.46Å; L27-F55 HydrophobicContact CD2-CZ 4.46Å; M50-F55 WeakPolarHBondContact O-CZ 3.44Å; L53-F55 PolarHBondContact O-N 3.16Å; F55-N57 PolarHBondContact O-N 2.81Å; F55-I58 HydrophobicContact CD1-CD1 3.89Å; F55-I58 HydrophobicContact CE1-CD1 4.31Å; F55-I58 HydrophobicContact CG-CD1 4.34Å; F55-I58 WeakPolarHBondContact O-CB 3.37Å; F55-I58 PolarHBondContact O-N 2.79Å; F55-L450 HydrophobicContact CD2-CD2 4.06Å; F55-L450 HydrophobicContact CE2-CD2 4.07Å
56	K	37.4	Very low	32.5	Very low	174 Å²	174	98 Å²	98	76%	0.757	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-58.2	-24.1	-177.1	-77.2	-172.3	173.3	-178.3	0	114.3	P54	P54-K56 VanDerWaalsContact C-N 3.32Å; P54-K56 PolarHBondContact O-N 3.39Å
57	N	33.6	Very low	32.3	Very low	77 Å²	77	98.3 Å²	98.3	41%	0.412	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-92.8	-9.3	-179.9	-64.8	-9.4	0	0	0	113.7	F55 C76	F55-N57 PolarHBondContact O-N 2.81Å; N57-C76 PolarHBondContact ND2-SG 3.45Å
58	I	37.2	Very low	32.1	Very low	32 Å²	32	103.7 Å²	103.7	16%	0.164	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-29	-174.8	-61	177.3	0	0	0	111.3	M50 L53 F55 R60 F61	M50-I58 HydrophobicContact CE-CD1 4.46Å; M50-I58 HydrophobicContact CE-CG2 4.07Å; M50-I58 HydrophobicContact SD-CD1 3.76Å; M50-I58 HydrophobicContact SD-CG2 4.21Å; L53-I58 HydrophobicContact CB-CD1 4.48Å; F55-I58 HydrophobicContact CD1-CD1 3.89Å; F55-I58 HydrophobicContact CE1-CD1 4.31Å; F55-I58 HydrophobicContact CG-CD1 4.34Å; F55-I58 WeakPolarHBondContact O-CB 3.37Å; F55-I58 PolarHBondContact O-N 2.79Å; I58-R60 VanDerWaalsContact C-N 3.27Å; I58-R60 PolarHBondContact O-N 2.91Å; I58-F61 WeakPolarHBondContact O-CB 3.2Å; I58-F61 PolarHBondContact O-N 3.14Å
59	I	31.1	Very low	32	Very low	100 Å²	100	102.7 Å²	102.7	51%	0.513	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-64.7	-30.7	179.7	-62.2	167	0	0	0	111.8	F61	I59-F61 PolarHBondContact O-N 3.46Å
60	R	26.1	Very low	31.9	Very low	174 Å²	174	108.1 Å²	108.1	66%	0.657	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-75.9	-5.5	173.8	-98.1	-177.5	174.3	158.7	-1.4	114.7	I58	I58-R60 VanDerWaalsContact C-N 3.27Å; I58-R60 PolarHBondContact O-N 2.91Å
61	F	28.4	Very low	31.9	Very low	85 Å²	85	112.2 Å²	112.2	37%	0.373	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-98.4	-17.7	-168.4	-137.9	-86.1	0	0	0	113.5	I58 I59 L73 F77	I58-F61 WeakPolarHBondContact O-CB 3.2Å; I58-F61 PolarHBondContact O-N 3.14Å; I59-F61 PolarHBondContact O-N 3.46Å; F61-L73 HydrophobicContact CD2-CD2 3.76Å; F61-L73 HydrophobicContact CE2-CD2 4Å; F61-F77 HydrophobicContact CE1-CE1 4.09Å; F61-F77 AromaticContact CE1-CZ 3.85Å; F61-F77 HydrophobicContact CE1-CZ 3.85Å; F61-F77 HydrophobicContact CE2-CD1 4.47Å; F61-F77 HydrophobicContact CE2-CD2 4.34Å; F61-F77 HydrophobicContact CE2-CE1 4.06Å; F61-F77 AromaticContact CE2-CE2 3.86Å; F61-F77 HydrophobicContact CE2-CE2 3.86Å; F61-F77 AromaticContact CE2-CZ 3.71Å; F61-F77 HydrophobicContact CE2-CZ 3.71Å; F61-F77 AromaticContact CZ-CD1 3.99Å; F61-F77 HydrophobicContact CZ-CD1 3.99Å; F61-F77 HydrophobicContact CZ-CD2 4.48Å; F61-F77 AromaticContact CZ-CE1 3.29Å; F61-F77 HydrophobicContact CZ-CE1 3.29Å; F61-F77 AromaticContact CZ-CE2 3.82Å; F61-F77 HydrophobicContact CZ-CE2 3.82Å; F61-F77 AromaticContact CZ-CZ 3.16Å; F61-F77 HydrophobicContact CZ-CZ 3.16Å
62	F	28.3	Very low	31.9	Very low	147 Å²	147	108.6 Å²	108.6	65%	0.645	54%	0.536	S	S	*	.	S	Bend	trans	-109.1	-2.9	-178.2	-89.8	-90.1	0	0	0	113.7
63	I	26.7	Very low	31.9	Very low	90 Å²	90	100.8 Å²	100.8	46%	0.462	51%	0.509	S	S	.	.	S	Bend	trans	-131.2	132.2	-172.9	-60.7	170.6	0	0	0	108.6
64	I	26.1	Very low	32	Very low	141 Å²	141	102.6 Å²	102.6	72%	0.723	53%	0.525	S	S	*	.	S	Bend	trans	94	134	175.4	-59.3	137.8	0	0	0	117.4
65	K	23.8	Very low	31.9	Very low	184 Å²	184	109.9 Å²	109.9	80%	0.8	55%	0.55	S	S	*	.			trans	-42.4	137.7	169.4	-79.7	172.6	167.6	174.7	0	113.1	S67	K65-S67 PolarHBondContact O-N 2.78Å
66	W	23.4	Very low	31.7	Very low	210 Å²	210	109.3 Å²	109.3	80%	0.795	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	60	-178.5	-164.8	-82.8	0	0	0	113.1	F77	W66-F77 HydrophobicContact CH2-CZ 4.38Å
67	S	27.3	Very low	31.7	Very low	93 Å²	93	103 Å²	103	65%	0.65	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	-4.9	-176.1	63.1	0	0	0	0	118	K65	K65-S67 PolarHBondContact O-N 2.78Å
68	V	30.4	Very low	32	Very low	124 Å²	124	102 Å²	102	75%	0.752	53%	0.525	S	S	*	.	S	Bend	trans	-135.9	-16.2	-173.1	-168.2	0	0	0	0	116.8
69	L	28.9	Very low	32.2	Very low	79 Å²	79	104.1 Å²	104.1	41%	0.414	53%	0.532	S	S	.	.			trans	-115.5	58.2	-170.1	-84.1	136.7	0	0	0	115	S72	L69-S72 WeakPolarHBondContact CD2-OG 3.39Å
70	C	32.8	Very low	32.5	Very low	125 Å²	125	100 Å²	100	85%	0.845	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.4	-178.5	-147	0	0	0	0	114.5
71	S	36.6	Very low	33.1	Very low	99 Å²	99	96.2 Å²	96.2	69%	0.692	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-41	-171	49.5	0	0	0	0	115.2	S74	S71-S74 PolarHBondContact O-OG 3.2Å
72	S	37	Very low	33.9	Very low	48 Å²	48	96.5 Å²	96.5	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-83.3	-24.1	-176.2	63.5	0	0	0	0	114.3	L69	L69-S72 WeakPolarHBondContact CD2-OG 3.39Å
73	L	38.4	Very low	34.5	Very low	37 Å²	37	97.4 Å²	97.4	19%	0.194	51%	0.513	C	S	.	.	H	α-helix	trans	-74.6	-32.9	178.3	-84.6	166.9	0	0	0	111.8	F61 Y75 C76 F77	F61-L73 HydrophobicContact CD2-CD2 3.76Å; F61-L73 HydrophobicContact CE2-CD2 4Å; L73-Y75 VanDerWaalsContact C-N 3.26Å; L73-Y75 PolarHBondContact O-N 3.04Å; L73-C76 WeakPolarHBondContact O-CB 3.49Å; L73-C76 PolarHBondContact O-N 3.09Å; L73-F77 HydrophobicContact CB-CD2 4Å; L73-F77 HydrophobicContact CB-CE2 3.99Å; L73-F77 HydrophobicContact CD2-CE2 4.19Å; L73-F77 VanDerWaalsContact O-CD2 3.25Å; L73-F77 WeakPolarHBondContact O-CD2 3.34Å; L73-F77 PolarHBondContact O-N 2.91Å
74	S	37.7	Very low	35.1	Very low	70 Å²	70	95.4 Å²	95.4	49%	0.49	51%	0.514	S	S	.	.	H	α-helix	trans	-54.5	-40.1	-177.5	71.7	0	0	0	0	112.6	S71 F77 A78	S71-S74 PolarHBondContact O-OG 3.2Å; S74-F77 PolarHBondContact O-N 3.39Å; S74-A78 WeakPolarHBondContact O-CB 2.97Å; S74-A78 PolarHBondContact O-N 2.95Å
75	Y	37.6	Very low	35.9	Very low	180 Å²	180	90.1 Å²	90.1	71%	0.706	49%	0.487	S	S	*	.	H	α-helix	trans	-67.1	-39.5	177	-164.9	-94.8	0	0	0	112.6	L73 A78 Y79	L73-Y75 VanDerWaalsContact C-N 3.26Å; L73-Y75 PolarHBondContact O-N 3.04Å; Y75-A78 PolarHBondContact O-N 3.3Å; Y75-Y79 WeakPolarHBondContact O-CB 3.18Å; Y75-Y79 PolarHBondContact O-N 2.9Å
76	C	37.1	Very low	37	Very low	27 Å²	27	89.1 Å²	89.1	18%	0.182	48%	0.483	C	S	.	.	H	α-helix	trans	-67.2	-42.9	176.7	-57.5	0	0	0	0	111.3	N57 L73 A80	N57-C76 PolarHBondContact ND2-SG 3.45Å; L73-C76 WeakPolarHBondContact O-CB 3.49Å; L73-C76 PolarHBondContact O-N 3.09Å; C76-A80 WeakPolarHBondContact O-CB 3.46Å; C76-A80 PolarHBondContact O-N 3.32Å
77	F	37.2	Very low	38.5	Very low	41 Å²	41	80.8 Å²	80.8	18%	0.18	46%	0.462	C	S	.	.	H	α-helix	trans	-63.5	-47.4	172.5	-80.4	-76.9	0	0	0	111.3	F61 W66 L73 S74 Y79 A80 F81 F89	F61-F77 HydrophobicContact CE1-CE1 4.09Å; F61-F77 AromaticContact CE1-CZ 3.85Å; F61-F77 HydrophobicContact CE1-CZ 3.85Å; F61-F77 HydrophobicContact CE2-CD1 4.47Å; F61-F77 HydrophobicContact CE2-CD2 4.34Å; F61-F77 HydrophobicContact CE2-CE1 4.06Å; F61-F77 AromaticContact CE2-CE2 3.86Å; F61-F77 HydrophobicContact CE2-CE2 3.86Å; F61-F77 AromaticContact CE2-CZ 3.71Å; F61-F77 HydrophobicContact CE2-CZ 3.71Å; F61-F77 AromaticContact CZ-CD1 3.99Å; F61-F77 HydrophobicContact CZ-CD1 3.99Å; F61-F77 HydrophobicContact CZ-CD2 4.48Å; F61-F77 AromaticContact CZ-CE1 3.29Å; F61-F77 HydrophobicContact CZ-CE1 3.29Å; F61-F77 AromaticContact CZ-CE2 3.82Å; F61-F77 HydrophobicContact CZ-CE2 3.82Å; F61-F77 AromaticContact CZ-CZ 3.16Å; F61-F77 HydrophobicContact CZ-CZ 3.16Å; W66-F77 HydrophobicContact CH2-CZ 4.38Å; L73-F77 HydrophobicContact CB-CD2 4Å; L73-F77 HydrophobicContact CB-CE2 3.99Å; L73-F77 HydrophobicContact CD2-CE2 4.19Å; L73-F77 VanDerWaalsContact O-CD2 3.25Å; L73-F77 WeakPolarHBondContact O-CD2 3.34Å; L73-F77 PolarHBondContact O-N 2.91Å; S74-F77 PolarHBondContact O-N 3.39Å; F77-Y79 VanDerWaalsContact C-N 3.34Å; F77-Y79 PolarHBondContact O-N 2.98Å; F77-A80 CarbonylContact O-C 3.2Å; F77-A80 WeakPolarHBondContact O-CA 3.25Å; F77-A80 WeakPolarHBondContact O-CB 3.42Å; F77-A80 PolarHBondContact O-N 2.85Å; F77-A80 VanDerWaalsContact O-N 3.09Å; F77-F81 WeakPolarHBondContact O-CB 3.38Å; F77-F81 WeakPolarHBondContact O-CD2 3.45Å; F77-F81 PolarHBondContact O-N 3.29Å; F77-F89 HydrophobicContact CD1-CE1 4.46Å; F77-F89 HydrophobicContact CD1-CZ 4.01Å; F77-F89 AromaticContact CE1-CE1 3.88Å; F77-F89 HydrophobicContact CE1-CE1 3.88Å; F77-F89 AromaticContact CE1-CZ 3.86Å; F77-F89 HydrophobicContact CE1-CZ 3.86Å
78	A	40.5	Very low	39.8	Very low	56 Å²	56	85.6 Å²	85.6	46%	0.463	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-39.9	179.3	0	0	0	0	0	112.3	S74 Y75 F81 S82	S74-A78 WeakPolarHBondContact O-CB 2.97Å; S74-A78 PolarHBondContact O-N 2.95Å; Y75-A78 PolarHBondContact O-N 3.3Å; A78-F81 PolarHBondContact O-N 3.13Å; A78-S82 WeakPolarHBondContact O-CB 3.47Å; A78-S82 PolarHBondContact O-N 3.41Å; A78-S82 PolarHBondContact O-OG 3.49Å
79	Y	40	Very low	41.1	Very low	77 Å²	77	85.9 Å²	85.9	30%	0.302	46%	0.458	S	S	.	.	H	α-helix	trans	-67	-34.8	173.7	-172.5	-96.1	0	0	0	112.7	L53 P54 Y75 F77 S82 R83	L53-Y79 HydrophobicContact CD2-CD1 3.92Å; L53-Y79 HydrophobicContact CD2-CE1 4.12Å; P54-Y79 HydrophobicContact CG-CE1 4.35Å; Y75-Y79 WeakPolarHBondContact O-CB 3.18Å; Y75-Y79 PolarHBondContact O-N 2.9Å; F77-Y79 VanDerWaalsContact C-N 3.34Å; F77-Y79 PolarHBondContact O-N 2.98Å; Y79-S82 PolarHBondContact O-OG 2.94Å; Y79-S82 VanDerWaalsContact O-OG 3.13Å; Y79-R83 WeakPolarHBondContact O-CG 3.36Å; Y79-R83 PolarHBondContact O-N 2.98Å; Y79-R83 PolarHBondContact OH-NH2 3.06Å
80	A	38.9	Very low	42.7	Very low	13 Å²	13	85.6 Å²	85.6	11%	0.107	45%	0.452	C	S	.	.	H	α-helix	trans	-69.1	-41.8	173.3	0	0	0	0	0	111.9	L53 C76 F77 R83 L85	L53-A80 HydrophobicContact CD1-CB 4.41Å; L53-A80 HydrophobicContact CD2-CB 4.35Å; C76-A80 WeakPolarHBondContact O-CB 3.46Å; C76-A80 PolarHBondContact O-N 3.32Å; F77-A80 CarbonylContact O-C 3.2Å; F77-A80 WeakPolarHBondContact O-CA 3.25Å; F77-A80 WeakPolarHBondContact O-CB 3.42Å; F77-A80 PolarHBondContact O-N 2.85Å; F77-A80 VanDerWaalsContact O-N 3.09Å; A80-R83 PolarHBondContact O-N 3.19Å; A80-L85 HydrophobicContact CB-CD1 3.75Å; A80-L85 WeakPolarHBondContact O-CB 3.42Å; A80-L85 PolarHBondContact O-N 2.96Å
81	F	38.1	Very low	44.3	Very low	94 Å²	94	85.6 Å²	85.6	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-65.6	-44.7	175.9	-96.4	-85.6	0	0	0	112.9	F77 A78 R83 G84 L85 F89	F77-F81 WeakPolarHBondContact O-CB 3.38Å; F77-F81 WeakPolarHBondContact O-CD2 3.45Å; F77-F81 PolarHBondContact O-N 3.29Å; A78-F81 PolarHBondContact O-N 3.13Å; F81-R83 PolarHBondContact O-N 3.42Å; F81-R83 VanDerWaalsContact O-N 3.16Å; F81-G84 PolarHBondContact O-N 2.93Å; F81-L85 WeakPolarHBondContact CD1-O 3.42Å; F81-L85 VanDerWaalsContact CE1-O 3.22Å; F81-L85 WeakPolarHBondContact CE1-O 3.41Å; F81-F89 AromaticContact CE2-CE2 3.58Å; F81-F89 HydrophobicContact CE2-CE2 3.58Å; F81-F89 AromaticContact CE2-CZ 3.75Å; F81-F89 HydrophobicContact CE2-CZ 3.75Å; F81-F89 AromaticContact CZ-CE2 3.68Å; F81-F89 HydrophobicContact CZ-CE2 3.68Å; F81-F89 HydrophobicContact CZ-CZ 4.1Å
82	S	45.7	Very low	46	Very low	92 Å²	92	85.5 Å²	85.5	64%	0.643	43%	0.429	S	S	*	.	H	α-helix	trans	-62.6	-22.7	178.9	71.9	0	0	0	0	112.8	A78 Y79	A78-S82 WeakPolarHBondContact O-CB 3.47Å; A78-S82 PolarHBondContact O-N 3.41Å; A78-S82 PolarHBondContact O-OG 3.49Å; Y79-S82 PolarHBondContact O-OG 2.94Å; Y79-S82 VanDerWaalsContact O-OG 3.13Å
83	R	40.4	Very low	47.7	Very low	165 Å²	165	89.1 Å²	89.1	62%	0.623	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	12.9	174.1	-66.4	-121	172.5	164	-3.1	114.4	Y79 A80 F81	Y79-R83 WeakPolarHBondContact O-CG 3.36Å; Y79-R83 PolarHBondContact O-N 2.98Å; Y79-R83 PolarHBondContact OH-NH2 3.06Å; A80-R83 PolarHBondContact O-N 3.19Å; F81-R83 PolarHBondContact O-N 3.42Å; F81-R83 VanDerWaalsContact O-N 3.16Å
84	G	39.7	Very low	49.7	Very low	48 Å²	48	90.5 Å²	90.5	50%	0.495	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	99	8.9	166.3	0	0	0	0	0	116.2	F81 K86	F81-G84 PolarHBondContact O-N 2.93Å; G84-K86 VanDerWaalsContact C-N 3.33Å; G84-K86 PolarHBondContact O-N 3.31Å
85	L	42.8	Very low	51.8	Low	30 Å²	30	92.4 Å²	92.4	16%	0.157	46%	0.463	C	S	.	.			trans	-70.8	89.9	167.9	-81.6	162.3	0	0	0	110.2	V44 A49 A80 F81	V44-L85 HydrophobicContact CB-CD2 4.12Å; V44-L85 HydrophobicContact CG1-CD2 4.32Å; A49-L85 HydrophobicContact CB-CD1 3.59Å; A49-L85 HydrophobicContact CB-CD2 4.18Å; A49-L85 HydrophobicContact CB-CG 4.13Å; A80-L85 HydrophobicContact CB-CD1 3.75Å; A80-L85 WeakPolarHBondContact O-CB 3.42Å; A80-L85 PolarHBondContact O-N 2.96Å; F81-L85 WeakPolarHBondContact CD1-O 3.42Å; F81-L85 VanDerWaalsContact CE1-O 3.22Å; F81-L85 WeakPolarHBondContact CE1-O 3.41Å
86	K	46.5	Very low	53.8	Low	163 Å²	163	92 Å²	92	71%	0.709	47%	0.465	S	S	*	.			trans	-84.2	139.5	157.9	-62.2	-178.3	-179.4	-178.2	0	107.8	G42 G84	G42-K86 CarbonylContact O-C 3.31Å; G42-K86 VanDerWaalsContact O-C 3.25Å; G84-K86 VanDerWaalsContact C-N 3.33Å; G84-K86 PolarHBondContact O-N 3.31Å
87	G	54.4	Low	55.5	Low	35 Å²	35	93.4 Å²	93.4	36%	0.361	47%	0.469	S	S	.	.			trans	176	148.9	-180	0	0	0	0	0	112	G42	G42-G87 WeakPolarHBondContact O-CA 3.46Å
88	R	54	Low	57.2	Low	194 Å²	194	95.4 Å²	95.4	73%	0.732	48%	0.478	S	S	*	.			trans	-93.4	124.5	170.8	-175.6	178.3	-175.4	169.7	3.7	108.6
89	F	57.8	Low	59.1	Low	131 Å²	131	94.8 Å²	94.8	58%	0.575	47%	0.467	S	S	*	.			trans	-78.4	143	171.1	-57.3	-79.2	0	0	0	110.2	F77 F81	F77-F89 HydrophobicContact CD1-CE1 4.46Å; F77-F89 HydrophobicContact CD1-CZ 4.01Å; F77-F89 AromaticContact CE1-CE1 3.88Å; F77-F89 HydrophobicContact CE1-CE1 3.88Å; F77-F89 AromaticContact CE1-CZ 3.86Å; F77-F89 HydrophobicContact CE1-CZ 3.86Å; F81-F89 AromaticContact CE2-CE2 3.58Å; F81-F89 HydrophobicContact CE2-CE2 3.58Å; F81-F89 AromaticContact CE2-CZ 3.75Å; F81-F89 HydrophobicContact CE2-CZ 3.75Å; F81-F89 AromaticContact CZ-CE2 3.68Å; F81-F89 HydrophobicContact CZ-CE2 3.68Å; F81-F89 HydrophobicContact CZ-CZ 4.1Å
90	Y	62.5	Low	60.8	Low	72 Å²	72	92.4 Å²	92.4	28%	0.282	46%	0.463	S	S	.	.			trans	-110.6	132.1	169.6	-70.3	-101.3	0	0	0	106.5	A100 L101 L104	Y90-A100 HydrophobicContact CD1-CB 4.49Å; Y90-A100 HydrophobicContact CE1-CB 4.04Å; Y90-L101 HydrophobicContact CD2-CD1 4.4Å; Y90-L104 HydrophobicContact CE2-CD2 3.62Å
91	K	67	Low	62.4	Low	125 Å²	125	94.1 Å²	94.1	54%	0.543	47%	0.47	S	S	.	.			trans	-71.9	148.6	162.1	-64.9	-178	178.7	-176.5	0	107.3	E97	K91-E97 WeakPolarHBondContact O-CB 3.34Å
92	L	72.2	Confident	64.1	Low	97 Å²	97	91.2 Å²	91.2	51%	0.508	46%	0.459	S	S	.	.	S	Bend	trans	-104.6	8.9	-179.9	-67.2	176.9	0	0	0	112	Q98 L101	L92-Q98 HydrophobicContact CD2-CG 4.23Å; L92-Q98 PolarHBondContact O-NE2 3.42Å; L92-L101 HydrophobicContact CD2-CD2 3.75Å
93	D	74	Confident	65.6	Low	125 Å²	125	93 Å²	93	67%	0.668	45%	0.452	S	S	*	.	S	Bend	trans	-71.4	-34.9	-175.7	-47.9	-41.1	0	0	0	111.2
94	T	79.2	Confident	67.3	Low	66 Å²	66	86.5 Å²	86.5	41%	0.405	43%	0.429	S	S	.	.	S	Bend	trans	-101.7	132.5	-177	-36.3	0	0	0	0	112.1	K96 E97 Q98	T94-K96 HydrophobicContact CG2-CB 4.09Å; T94-K96 HydrophobicContact CG2-CG 4.44Å; T94-K96 PolarHBondContact O-N 3.37Å; T94-K96 VanDerWaalsContact O-N 3.14Å; T94-E97 VanDerWaalsContact CB-OE2 3.3Å; T94-E97 WeakPolarHBondContact CB-OE2 3.35Å; T94-E97 WeakPolarHBondContact O-CA 3.15Å; T94-E97 WeakPolarHBondContact O-CB 3.37Å; T94-E97 PolarHBondContact O-N 2.79Å; T94-E97 PolarHBondContact OG1-OE2 2.75Å; T94-Q98 PolarHBondContact O-N 3.02Å
95	V	81.6	Confident	68.9	Low	109 Å²	109	86.8 Å²	86.8	66%	0.661	42%	0.418	S	S	*	.	H	α-helix	trans	-53.4	-36.3	173.6	-177.9	0	0	0	0	112.3	E97 Q98 D99	V95-E97 VanDerWaalsContact C-N 3.3Å; V95-E97 PolarHBondContact O-N 3.38Å; V95-Q98 PolarHBondContact O-N 3.33Å; V95-D99 VanDerWaalsContact O-CB 3.31Å; V95-D99 WeakPolarHBondContact O-CB 3.18Å; V95-D99 PolarHBondContact O-N 2.78Å
96	K	80.8	Confident	70.4	Confident	172 Å²	172	87.7 Å²	87.7	75%	0.748	43%	0.427	S	S	*	.	H	α-helix	trans	-61.4	-34.4	175	-65.8	-178.8	179.7	177.6	0	113.2	T94 A100	T94-K96 HydrophobicContact CG2-CB 4.09Å; T94-K96 HydrophobicContact CG2-CG 4.44Å; T94-K96 PolarHBondContact O-N 3.37Å; T94-K96 VanDerWaalsContact O-N 3.14Å; K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 3.06Å; K96-A100 VanDerWaalsContact O-N 3.08Å
97	E	71.5	Confident	71.7	Confident	57 Å²	57	84 Å²	84	27%	0.266	42%	0.422	S	S	.	.	H	α-helix	trans	-80.7	-40.6	178.7	-64.8	177.2	109.7	0	0	111.5	K91 T94 V95 D99 A100 L101	K91-E97 WeakPolarHBondContact O-CB 3.34Å; T94-E97 VanDerWaalsContact CB-OE2 3.3Å; T94-E97 WeakPolarHBondContact CB-OE2 3.35Å; T94-E97 WeakPolarHBondContact O-CA 3.15Å; T94-E97 WeakPolarHBondContact O-CB 3.37Å; T94-E97 PolarHBondContact O-N 2.79Å; T94-E97 PolarHBondContact OG1-OE2 2.75Å; V95-E97 VanDerWaalsContact C-N 3.3Å; V95-E97 PolarHBondContact O-N 3.38Å; E97-D99 VanDerWaalsContact C-N 3.28Å; E97-D99 PolarHBondContact O-N 3.12Å; E97-A100 PolarHBondContact O-N 3.27Å; E97-L101 PolarHBondContact O-N 3.38Å
98	Q	73.7	Confident	72.4	Confident	83 Å²	83	82.7 Å²	82.7	39%	0.388	41%	0.407	S	S	.	.	H	α-helix	trans	-55.9	-45.2	170.5	-62.6	173.3	5.1	0	0	110.7	L92 T94 V95 L101 L102	L92-Q98 HydrophobicContact CD2-CG 4.23Å; L92-Q98 PolarHBondContact O-NE2 3.42Å; T94-Q98 PolarHBondContact O-N 3.02Å; V95-Q98 PolarHBondContact O-N 3.33Å; Q98-L101 WeakPolarHBondContact O-CB 3.27Å; Q98-L101 PolarHBondContact O-N 2.9Å; Q98-L102 WeakPolarHBondContact O-CG 3.49Å; Q98-L102 PolarHBondContact O-N 3.45Å
99	D	79.4	Confident	73.1	Confident	42 Å²	42	77.1 Å²	77.1	23%	0.225	40%	0.398	C	S	.	.	H	α-helix	trans	-66.1	-40.8	176.8	-178.4	63.7	0	0	0	113.3	R9 V95 E97 L101 L102 R103	R9-D99 IonicContact CZ-OD1 3.08Å; R9-D99 IonicContact CZ-OD2 3.97Å; R9-D99 IonicContact NH1-OD1 2.68Å; R9-D99 PolarHBondContact NH1-OD1 3.08Å; R9-D99 IonicContact NH1-OD2 3.98Å; R9-D99 VanDerWaalsContact NH2-CG 3.26Å; R9-D99 IonicContact NH2-OD1 2.68Å; R9-D99 PolarHBondContact NH2-OD1 3.23Å; R9-D99 IonicContact NH2-OD2 3.07Å; R9-D99 PolarHBondContact NH2-OD2 2.8Å; R9-D99 VanDerWaalsContact NH2-OD2 3.07Å; V95-D99 VanDerWaalsContact O-CB 3.31Å; V95-D99 WeakPolarHBondContact O-CB 3.18Å; V95-D99 PolarHBondContact O-N 2.78Å; E97-D99 VanDerWaalsContact C-N 3.28Å; E97-D99 PolarHBondContact O-N 3.12Å; D99-L101 VanDerWaalsContact C-N 3.27Å; D99-L101 PolarHBondContact O-N 3.13Å; D99-L102 PolarHBondContact O-N 2.94Å; D99-R103 PolarHBondContact O-N 3.16Å; D99-R103 IonicContact OD2-CZ 3.15Å; D99-R103 IonicContact OD2-NE 2.8Å; D99-R103 PolarHBondContact OD2-NE 3.22Å; D99-R103 IonicContact OD2-NH2 2.72Å; D99-R103 PolarHBondContact OD2-NH2 3.35Å
100	A	76.2	Confident	73.6	Confident	27 Å²	27	74 Å²	74	22%	0.223	39%	0.39	C	S	.	.	H	α-helix	trans	-62.3	-35.8	173.6	0	0	0	0	0	111.8	Y90 K96 E97 L104	Y90-A100 HydrophobicContact CD1-CB 4.49Å; Y90-A100 HydrophobicContact CE1-CB 4.04Å; K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 3.06Å; K96-A100 VanDerWaalsContact O-N 3.08Å; E97-A100 PolarHBondContact O-N 3.27Å; A100-L104 WeakPolarHBondContact O-CB 3.48Å; A100-L104 PolarHBondContact O-N 3.02Å
101	L	72.9	Confident	73.9	Confident	49 Å²	49	77 Å²	77	26%	0.257	40%	0.404	S	S	.	.	H	α-helix	trans	-67.7	-42.3	172.2	-179.3	63	0	0	0	111.6	Y90 L92 E97 Q98 D99 R103 L104 M105	Y90-L101 HydrophobicContact CD2-CD1 4.4Å; L92-L101 HydrophobicContact CD2-CD2 3.75Å; E97-L101 PolarHBondContact O-N 3.38Å; Q98-L101 WeakPolarHBondContact O-CB 3.27Å; Q98-L101 PolarHBondContact O-N 2.9Å; D99-L101 VanDerWaalsContact C-N 3.27Å; D99-L101 PolarHBondContact O-N 3.13Å; L101-R103 VanDerWaalsContact C-N 3.35Å; L101-R103 PolarHBondContact O-N 3.29Å; L101-L104 HydrophobicContact CD1-CD2 4.32Å; L101-L104 PolarHBondContact O-N 3.26Å; L101-M105 HydrophobicContact CD1-CG 4.37Å; L101-M105 HydrophobicContact CG-CE 4.34Å; L101-M105 WeakPolarHBondContact O-CB 3.19Å; L101-M105 WeakPolarHBondContact O-CG 3.43Å; L101-M105 PolarHBondContact O-N 2.78Å
102	L	74.4	Confident	74.1	Confident	34 Å²	34	74 Å²	74	18%	0.178	40%	0.397	C	S	.	.	H	α-helix	trans	-59.9	-41.7	174.3	-73.1	169.8	0	0	0	111.9	L6 F13 F15 Q98 D99 M105 S106	L6-L102 HydrophobicContact CD1-CB 4.38Å; L6-L102 HydrophobicContact CD1-CD1 4.13Å; L6-L102 HydrophobicContact CD1-CD2 4.46Å; F13-L102 HydrophobicContact CD2-CD2 4.44Å; F13-L102 HydrophobicContact CE2-CD2 4.32Å; F13-L102 HydrophobicContact CZ-CD2 4.43Å; F15-L102 HydrophobicContact CZ-CD2 4.12Å; Q98-L102 WeakPolarHBondContact O-CG 3.49Å; Q98-L102 PolarHBondContact O-N 3.45Å; D99-L102 PolarHBondContact O-N 2.94Å; L102-M105 HydrophobicContact CD2-CE 3.64Å; L102-M105 HydrophobicContact CG-CE 4.45Å; L102-M105 PolarHBondContact O-N 3.01Å; L102-S106 PolarHBondContact O-N 3.04Å; L102-S106 PolarHBondContact O-OG 3.28Å
103	R	77	Confident	74.3	Confident	130 Å²	130	71 Å²	71	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-44	172.7	-75.7	-176.2	-94.8	167.1	-6.6	113.1	D99 L101 M105 S106 S107	D99-R103 PolarHBondContact O-N 3.16Å; D99-R103 IonicContact OD2-CZ 3.15Å; D99-R103 IonicContact OD2-NE 2.8Å; D99-R103 PolarHBondContact OD2-NE 3.22Å; D99-R103 IonicContact OD2-NH2 2.72Å; D99-R103 PolarHBondContact OD2-NH2 3.35Å; L101-R103 VanDerWaalsContact C-N 3.35Å; L101-R103 PolarHBondContact O-N 3.29Å; R103-M105 VanDerWaalsContact C-N 3.31Å; R103-S106 PolarHBondContact O-N 2.99Å; R103-S106 PolarHBondContact O-OG 2.87Å; R103-S106 VanDerWaalsContact O-OG 3.09Å; R103-S107 WeakPolarHBondContact O-CB 3.45Å; R103-S107 PolarHBondContact O-N 2.82Å; R103-S107 VanDerWaalsContact O-N 3.09Å; R103-S107 PolarHBondContact O-OG 3.01Å
104	L	75.2	Confident	74.4	Confident	27 Å²	27	67.5 Å²	67.5	14%	0.141	37%	0.367	C	S	.	.	H	α-helix	trans	-61.2	-44.7	175.4	176	63	0	0	0	110.2	I43 Y90 A100 L101 S107 C108	I43-L104 HydrophobicContact CD1-CD1 3.85Å; I43-L104 HydrophobicContact CD1-CD2 3.86Å; I43-L104 HydrophobicContact CD1-CG 4.34Å; Y90-L104 HydrophobicContact CE2-CD2 3.62Å; A100-L104 WeakPolarHBondContact O-CB 3.48Å; A100-L104 PolarHBondContact O-N 3.02Å; L101-L104 HydrophobicContact CD1-CD2 4.32Å; L101-L104 PolarHBondContact O-N 3.26Å; L104-S107 PolarHBondContact O-OG 3.02Å; L104-C108 WeakPolarHBondContact O-CB 3.14Å; L104-C108 PolarHBondContact O-N 3.08Å; L104-C108 PolarHBondContact O-SG 3.11Å
105	M	73.1	Confident	74.4	Confident	54 Å²	54	65.8 Å²	65.8	27%	0.266	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-46.3	175.7	-69.2	-167.5	-64.5	0	0	111.5	F13 F15 R36 L101 L102 R103 S107	F13-M105 HydrophobicContact CD1-CE 4.36Å; F13-M105 HydrophobicContact CE1-CB 3.74Å; F13-M105 HydrophobicContact CE1-CE 4.09Å; F13-M105 HydrophobicContact CZ-CB 4.25Å; F15-M105 HydrophobicContact CE1-CE 4.26Å; F15-M105 HydrophobicContact CZ-CE 4.47Å; R36-M105 WeakPolarHBondContact CD-O 3.13Å; R36-M105 PolarHBondContact NE-O 3.35Å; R36-M105 VanDerWaalsContact NH1-C 3.27Å; R36-M105 PolarHBondContact NH1-O 3.3Å; L101-M105 HydrophobicContact CD1-CG 4.37Å; L101-M105 HydrophobicContact CG-CE 4.34Å; L101-M105 WeakPolarHBondContact O-CB 3.19Å; L101-M105 WeakPolarHBondContact O-CG 3.43Å; L101-M105 PolarHBondContact O-N 2.78Å; L102-M105 HydrophobicContact CD2-CE 3.64Å; L102-M105 HydrophobicContact CG-CE 4.45Å; L102-M105 PolarHBondContact O-N 3.01Å; R103-M105 VanDerWaalsContact C-N 3.31Å; M105-S107 VanDerWaalsContact C-N 3.31Å; M105-S107 PolarHBondContact O-N 3.05Å
106	S	74.6	Confident	74.4	Confident	49 Å²	49	61.1 Å²	61.1	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-34.3	-178.6	61.9	0	0	0	0	113.4	L102 R103	L102-S106 PolarHBondContact O-N 3.04Å; L102-S106 PolarHBondContact O-OG 3.28Å; R103-S106 PolarHBondContact O-N 2.99Å; R103-S106 PolarHBondContact O-OG 2.87Å; R103-S106 VanDerWaalsContact O-OG 3.09Å
107	S	74.1	Confident	74.4	Confident	85 Å²	85	57 Å²	57	59%	0.594	31%	0.31	S	S	*	.	H	α-helix	trans	-86.5	-20.7	-177.6	56.6	0	0	0	0	115.5	R103 L104 M105 S109	R103-S107 WeakPolarHBondContact O-CB 3.45Å; R103-S107 PolarHBondContact O-N 2.82Å; R103-S107 VanDerWaalsContact O-N 3.09Å; R103-S107 PolarHBondContact O-OG 3.01Å; L104-S107 PolarHBondContact O-OG 3.02Å; M105-S107 VanDerWaalsContact C-N 3.31Å; M105-S107 PolarHBondContact O-N 3.05Å; S107-S109 PolarHBondContact O-N 3.18Å
108	C	69.7	Low	75	Confident	9 Å²	9	59 Å²	59	6%	0.061	32%	0.315	C	S	.	.	S	Bend	trans	-69.2	128.1	-179.6	-80.5	0	0	0	0	112.7	R36 N38 L104 T110	R36-C108 HydrophobicContact CB-CB 3.67Å; R36-C108 HydrophobicContact CG-CB 4.31Å; N38-C108 VanDerWaalsContact CB-SG 3.56Å; N38-C108 PolarHBondContact ND2-SG 3.23Å; L104-C108 WeakPolarHBondContact O-CB 3.14Å; L104-C108 PolarHBondContact O-N 3.08Å; L104-C108 PolarHBondContact O-SG 3.11Å; C108-T110 PolarHBondContact O-N 2.66Å
109	S	67.5	Low	75.6	Confident	76 Å²	76	55.3 Å²	55.3	53%	0.531	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-55.4	130.6	171.7	-173.4	0	0	0	0	111.3	R36 N37 S107	R36-S109 WeakPolarHBondContact CA-O 3.37Å; N37-S109 PolarHBondContact N-O 2.94Å; N37-S109 VanDerWaalsContact O-O 3.14Å; S107-S109 PolarHBondContact O-N 3.18Å
110	T	68.7	Low	76	Confident	67 Å²	67	53.6 Å²	53.6	41%	0.411	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.8	172.3	50.3	0	0	0	0	110.4	T34 L35 R36 C108	T34-T110 HydrophobicContact CG2-CG2 3.48Å; T34-T110 VanDerWaalsContact CG2-CG2 3.48Å; L35-T110 CarbonylContact O-C 3.45Å; L35-T110 WeakPolarHBondContact O-CA 3.12Å; R36-T110 HydrophobicContact CG-CG2 3.59Å; C108-T110 PolarHBondContact O-N 2.66Å
111	K	69.4	Low	76.5	Confident	134 Å²	134	53 Å²	53	58%	0.583	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.2	163.4	-68.4	-167.5	175.6	-168.6	0	108.4	L35	L35-K111 PolarHBondContact O-N 2.76Å
112	P	71	Confident	77	Confident	61 Å²	61	50.8 Å²	50.8	40%	0.396	27%	0.27	S	S	.	.			trans	-64.1	158.3	172.3	29.1	-34.4	0	0	0	110.3	Q116 E117	P112-Q116 HydrophobicContact CB-CB 4.28Å; P112-E117 HydrophobicContact CB-CG 3.87Å; P112-E117 HydrophobicContact CG-CG 3.49Å; P112-E117 VanDerWaalsContact CG-CG 3.49Å
113	L	76.3	Confident	77.4	Confident	36 Å²	36	49.7 Å²	49.7	19%	0.188	26%	0.264	C	S	.	.			trans	-76.3	148.3	162.9	-66.6	172.4	0	0	0	108.8	L35 L48 L115 Q116 E117	L35-L113 HydrophobicContact CD1-CD2 3.72Å; L35-L113 HydrophobicContact CD1-CG 4.04Å; L48-L113 HydrophobicContact CD1-CD2 4.47Å; L113-L115 PolarHBondContact O-N 3.03Å; L113-Q116 HydrophobicContact CB-CG 3.99Å; L113-Q116 WeakPolarHBondContact O-CA 3.49Å; L113-Q116 VanDerWaalsContact O-CB 3.29Å; L113-Q116 WeakPolarHBondContact O-CB 2.95Å; L113-Q116 PolarHBondContact O-N 3.19Å; L113-E117 PolarHBondContact O-N 2.99Å
114	S	76.6	Confident	77.7	Confident	51 Å²	51	44 Å²	44	36%	0.357	24%	0.243	S	C	.	.	H	α-helix	trans	-53.5	-27.1	178.9	55.1	0	0	0	0	115.2	E117 Y118	S114-E117 WeakPolarHBondContact CA-OE2 3.49Å; S114-Y118 WeakPolarHBondContact O-CD2 3.11Å
115	L	79.7	Confident	77.7	Confident	29 Å²	29	46 Å²	46	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-74.7	-29.2	174.4	-161.3	78.3	0	0	0	112.9	L113 G394 Y395 M434 A438	L113-L115 PolarHBondContact O-N 3.03Å; L115-G394 VanDerWaalsContact CD2-CA 3.47Å; L115-Y395 HydrophobicContact CD1-CE1 4.46Å; L115-Y395 HydrophobicContact CD2-CD1 3.73Å; L115-Y395 HydrophobicContact CD2-CE1 4.16Å; L115-Y395 HydrophobicContact CG-CD1 4.32Å; L115-Y395 HydrophobicContact CG-CE1 4.3Å; L115-M434 HydrophobicContact CD1-SD 4.29Å; L115-A438 HydrophobicContact CD1-CB 4.15Å
116	Q	81.3	Confident	77.9	Confident	11 Å²	11	46.1 Å²	46.1	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-83.2	-21.1	-180	-59	169.4	-8.4	0	0	112.8	K31 L33 P112 L113	K31-Q116 PolarHBondContact O-NE2 3.21Å; L33-Q116 PolarHBondContact O-NE2 2.77Å; P112-Q116 HydrophobicContact CB-CB 4.28Å; L113-Q116 HydrophobicContact CB-CG 3.99Å; L113-Q116 WeakPolarHBondContact O-CA 3.49Å; L113-Q116 VanDerWaalsContact O-CB 3.29Å; L113-Q116 WeakPolarHBondContact O-CB 2.95Å; L113-Q116 PolarHBondContact O-N 3.19Å
117	E	81.2	Confident	78.1	Confident	87 Å²	87	45.7 Å²	45.7	41%	0.407	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-46	-178	-74	168.6	173.6	0	0	111.9	P112 L113 S114 P144	P112-E117 HydrophobicContact CB-CG 3.87Å; P112-E117 HydrophobicContact CG-CG 3.49Å; P112-E117 VanDerWaalsContact CG-CG 3.49Å; L113-E117 PolarHBondContact O-N 2.99Å; S114-E117 WeakPolarHBondContact CA-OE2 3.49Å; E117-P144 WeakPolarHBondContact O-CD 3.3Å; E117-P144 WeakPolarHBondContact O-CG 3.13Å
118	Y	83.7	Confident	78.1	Confident	97 Å²	97	45 Å²	45	38%	0.38	25%	0.247	S	C	.	.	S	Bend	trans	-100.3	-0.9	-171	-53.6	-81.9	0	0	0	114.5	S114 L328	S114-Y118 WeakPolarHBondContact O-CD2 3.11Å; Y118-L328 HydrophobicContact CD1-CB 4.1Å; Y118-L328 HydrophobicContact CD1-CD2 3.84Å; Y118-L328 HydrophobicContact CD1-CG 4.41Å; Y118-L328 HydrophobicContact CD2-CD2 4.27Å; Y118-L328 HydrophobicContact CE1-CB 4.28Å; Y118-L328 HydrophobicContact CG-CD2 3.68Å
119	R	86.7	Confident	78.4	Confident	7 Å²	7	47 Å²	47	3%	0.026	26%	0.256	C	S	.	.	S	Bend	trans	-129.7	127.6	-174.5	-68	-179.3	-171.7	78.7	-8	111.3	L360 E363 Y395 F435	R119-L360 HydrophobicContact CG-CD1 4.25Å; R119-L360 HydrophobicContact CG-CG 4.09Å; R119-E363 IonicContact CZ-OE1 3.94Å; R119-E363 IonicContact NE-OE1 2.77Å; R119-E363 PolarHBondContact NE-OE1 2.87Å; R119-E363 IonicContact NE-OE2 3.19Å; R119-E363 PolarHBondContact NE-OE2 3.22Å; R119-E363 IonicContact NH2-OE1 3.22Å; R119-E363 PolarHBondContact NH2-OE1 3Å; R119-Y395 VanDerWaalsContact CD-CE1 3.4Å; R119-Y395 VanDerWaalsContact CD-OH 3.26Å; R119-Y395 WeakPolarHBondContact CD-OH 3.45Å; R119-Y395 PolarHBondContact NE-OH 2.82Å; R119-F435 PolarHBondContact NH2-O 3.1Å; R119-F435 VanDerWaalsContact NH2-O 3.15Å
120	T	86.9	Confident	78.5	Confident	5 Å²	5	47 Å²	47	3%	0.031	25%	0.253	C	S	.	.			trans	-70.4	140.3	175	-46.6	0	0	0	0	109.1	V141 R142 P144 S145 L146 S358	T120-V141 HydrophobicContact CG2-CG1 3.37Å; T120-R142 WeakPolarHBondContact CA-O 3.09Å; T120-P144 WeakPolarHBondContact CG2-O 2.89Å; T120-P144 PolarHBondContact OG1-O 2.71Å; T120-S145 PolarHBondContact OG1-O 3.47Å; T120-L146 HydrophobicContact CG2-CB 3.89Å; T120-L146 HydrophobicContact CG2-CD1 4.12Å; T120-L146 HydrophobicContact CG2-CG 4.48Å; T120-S358 WeakPolarHBondContact CA-OG 3.27Å; T120-S358 VanDerWaalsContact CB-OG 3.26Å; T120-S358 WeakPolarHBondContact CB-OG 3.26Å; T120-S358 PolarHBondContact N-OG 2.83Å; T120-S358 PolarHBondContact O-N 3.31Å; T120-S358 PolarHBondContact O-OG 2.79Å
121	R	86.4	Confident	78.5	Confident	15 Å²	15	47.3 Å²	47.3	6%	0.057	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.5	177.9	63.4	-165.1	162.6	151.4	2.2	109.8	K31 V32 V141 R142 V356 Y357	K31-R121 PolarHBondContact O-NH1 3.33Å; V32-R121 PolarHBondContact O-NH1 2.99Å; R121-V141 CarbonylContact O-C 3.57Å; R121-R142 HydrophobicContact CG-CB 3.83Å; R121-R142 PolarHBondContact N-O 3.33Å; R121-R142 PolarHBondContact O-N 3.05Å; R121-V356 CarbonylContact C-O 3.58Å; R121-V356 WeakPolarHBondContact CA-O 3.32Å; R121-Y357 HydrophobicContact CB-CD1 3.92Å; R121-Y357 HydrophobicContact CB-CE1 4.15Å
122	L	84.3	Confident	78.3	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.8	174.9	176	77.8	0	0	0	107.7	V124 L137 G139 V141 F340 V356	L122-V124 HydrophobicContact CD2-CG2 4.38Å; L122-L137 HydrophobicContact CD2-CB 4.38Å; L122-G139 WeakPolarHBondContact CD1-O 3.49Å; L122-V141 HydrophobicContact CD1-CG2 3.94Å; L122-F340 HydrophobicContact CD2-CE2 3.37Å; L122-F340 HydrophobicContact CD2-CZ 3.52Å; L122-V356 HydrophobicContact CB-CB 4.15Å; L122-V356 PolarHBondContact N-O 3.3Å; L122-V356 PolarHBondContact O-N 2.88Å
123	L	82.9	Confident	78.3	Confident	11 Å²	11	48.2 Å²	48.2	6%	0.058	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.5	168.3	179.9	75.5	0	0	0	107.4	M1 L16 V32 G139 Y140	M1-L123 HydrophobicContact CE-CD1 3.48Å; M1-L123 VanDerWaalsContact CE-CD1 3.48Å; M1-L123 HydrophobicContact CE-CG 3.82Å; M1-L123 HydrophobicContact SD-CD1 3.83Å; M1-L123 HydrophobicContact SD-CD2 3.83Å; M1-L123 HydrophobicContact SD-CG 3.71Å; L16-L123 HydrophobicContact CD1-CD1 4.18Å; L16-L123 HydrophobicContact CD2-CD1 4.14Å; L16-L123 HydrophobicContact CD2-CD2 4.44Å; V32-L123 HydrophobicContact CG1-CD1 4.06Å; L123-G139 CarbonylContact O-C 3.54Å; L123-G139 WeakPolarHBondContact O-CA 3.38Å; L123-Y140 PolarHBondContact N-O 3.13Å; L123-Y140 VanDerWaalsContact N-O 3.12Å; L123-Y140 PolarHBondContact O-N 3.1Å
124	V	81.8	Confident	78.2	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.2	-174.6	-178	0	0	0	0	110	M1 L122 S126 C127 L137 C138 L354 V356	M1-V124 WeakPolarHBondContact CE-O 3.47Å; L122-V124 HydrophobicContact CD2-CG2 4.38Å; V124-S126 VanDerWaalsContact CG1-O 3.3Å; V124-S126 WeakPolarHBondContact CG1-O 3.36Å; V124-C127 HydrophobicContact CG1-CB 4.48Å; V124-L137 HydrophobicContact CG1-CB 4.13Å; V124-L137 HydrophobicContact CG1-CD2 4.14Å; V124-L137 HydrophobicContact CG2-CB 4.15Å; V124-L137 HydrophobicContact CG2-CD1 4.1Å; V124-C138 CarbonylContact C-O 3.25Å; V124-C138 WeakPolarHBondContact CA-O 3.29Å; V124-L354 HydrophobicContact CB-CB 4.12Å; V124-L354 HydrophobicContact CB-CD2 4.48Å; V124-L354 HydrophobicContact CB-CG 4.48Å; V124-L354 HydrophobicContact CG1-CD2 4.41Å; V124-L354 HydrophobicContact CG2-CB 4.3Å; V124-L354 HydrophobicContact CG2-CD2 4.17Å; V124-L354 HydrophobicContact CG2-CG 4.15Å; V124-L354 PolarHBondContact N-O 2.7Å; V124-V356 HydrophobicContact CG2-CG2 3.65Å
125	E	77	Confident	78.3	Confident	70 Å²	70	46 Å²	46	33%	0.327	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-43.6	174	179.8	173.2	167.7	0	0	111.2	F3 C138 Y140 H172	F3-E125 HydrophobicContact CE2-CG 3.96Å; E125-C138 PolarHBondContact N-O 3.27Å; E125-Y140 WeakPolarHBondContact OE2-CE2 3.26Å; E125-Y140 PolarHBondContact OE2-OH 3.15Å; E125-H172 IonicContact OE1-CE1 3.98Å; E125-H172 IonicContact OE1-NE2 3.56Å
126	S	75.9	Confident	78.2	Confident	56 Å²	56	49 Å²	49	39%	0.392	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.2	176.5	62.1	0	0	0	0	111.8	V124 C138	V124-S126 VanDerWaalsContact CG1-O 3.3Å; V124-S126 WeakPolarHBondContact CG1-O 3.36Å; S126-C138 PolarHBondContact N-O 2.89Å; S126-C138 PolarHBondContact O-N 3.41Å; S126-C138 WeakPolarHBondContact OG-CB 3.31Å
127	C	78.3	Confident	78.2	Confident	41 Å²	41	48.5 Å²	48.5	28%	0.277	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.9	179.4	172.6	0	0	0	0	108.1	V124 L135 L137	V124-C127 HydrophobicContact CG1-CB 4.48Å; C127-L135 VanDerWaalsContact SG-CD1 3.51Å; C127-L137 HydrophobicContact CB-CD2 3.63Å; C127-L137 WeakPolarHBondContact SG-CD2 3.13Å
128	T	75.8	Confident	78	Confident	71 Å²	71	45.4 Å²	45.4	44%	0.436	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128	176	56.1	0	0	0	0	109.4	R136	T128-R136 PolarHBondContact N-O 3.32Å; T128-R136 WeakPolarHBondContact O-CB 3.45Å; T128-R136 PolarHBondContact O-N 3.04Å
129	I	75.7	Confident	77.7	Confident	50 Å²	50	41.7 Å²	41.7	26%	0.256	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.3	173.8	-59.3	-170.3	0	0	0	109.1	G131 T134 L135 Y344 C348	I129-G131 WeakPolarHBondContact CG2-O 3.48Å; I129-T134 WeakPolarHBondContact CA-O 3.38Å; I129-T134 WeakPolarHBondContact CG2-O 3.13Å; I129-L135 HydrophobicContact CD1-CD1 4.39Å; I129-L135 HydrophobicContact CG1-CD1 4.03Å; I129-Y344 WeakPolarHBondContact CD1-O 3.46Å; I129-C348 WeakPolarHBondContact CD1-SG 3.27Å
130	T	69.7	Low	77.3	Confident	75 Å²	75	42.9 Å²	42.9	46%	0.46	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.2	173.9	36.4	0	0	0	0	109.4	T134	T130-T134 WeakPolarHBondContact CB-OG1 3.33Å; T130-T134 PolarHBondContact N-O 2.89Å; T130-T134 PolarHBondContact O-N 2.91Å; T130-T134 PolarHBondContact O-OG1 3Å; T130-T134 PolarHBondContact OG1-OG1 2.92Å
131	G	69	Low	77.1	Confident	74 Å²	74	44.1 Å²	44.1	76%	0.763	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-152	-172.3	0	0	0	0	0	113.3	I129	I129-G131 WeakPolarHBondContact CG2-O 3.48Å
132	L	65.1	Low	76.8	Confident	157 Å²	157	48.9 Å²	48.9	82%	0.822	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-25.4	-178	-69.1	167.6	0	0	0	113.9
133	C	69.7	Low	76.6	Confident	57 Å²	57	51.3 Å²	51.3	39%	0.385	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	5	-159.6	-53.4	0	0	0	0	115.6	G342 L343	C133-G342 CarbonylContact C-O 3.53Å; C133-G342 CarbonylContact O-C 3.57Å; C133-G342 PolarHBondContact O-N 2.99Å; C133-G342 VanDerWaalsContact O-O 3.14Å; C133-L343 HydrophobicContact CB-CB 4.32Å; C133-L343 HydrophobicContact CB-CD1 4.27Å; C133-L343 HydrophobicContact CB-CG 4.08Å; C133-L343 VanDerWaalsContact SG-CD1 3.58Å
134	T	73.7	Confident	76.5	Confident	37 Å²	37	52.8 Å²	52.8	23%	0.227	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.3	-174.7	70.4	0	0	0	0	112.9	I129 T130 N341	I129-T134 WeakPolarHBondContact CA-O 3.38Å; I129-T134 WeakPolarHBondContact CG2-O 3.13Å; T130-T134 WeakPolarHBondContact CB-OG1 3.33Å; T130-T134 PolarHBondContact N-O 2.89Å; T130-T134 PolarHBondContact O-N 2.91Å; T130-T134 PolarHBondContact O-OG1 3Å; T130-T134 PolarHBondContact OG1-OG1 2.92Å; T134-N341 VanDerWaalsContact CB-OD1 3.26Å; T134-N341 WeakPolarHBondContact CB-OD1 3.29Å; T134-N341 HydrophobicContact CG2-CB 3.89Å; T134-N341 WeakPolarHBondContact CG2-OD1 3.14Å
135	L	79.7	Confident	76.5	Confident	3 Å²	3	54 Å²	54	2%	0.016	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	81	-162.3	-178.9	83.3	0	0	0	109.2	C127 I129 L137 I154 F340 L347	C127-L135 VanDerWaalsContact SG-CD1 3.51Å; I129-L135 HydrophobicContact CD1-CD1 4.39Å; I129-L135 HydrophobicContact CG1-CD1 4.03Å; L135-L137 HydrophobicContact CD1-CD2 4.27Å; L135-L137 HydrophobicContact CD2-CD1 3.94Å; L135-L137 HydrophobicContact CD2-CD2 3.87Å; L135-L137 HydrophobicContact CD2-CG 3.95Å; L135-L137 HydrophobicContact CG-CD2 3.75Å; L135-L137 HydrophobicContact CG-CG 4.05Å; L135-L137 PolarHBondContact O-N 3.22Å; L135-I154 HydrophobicContact CD2-CD1 4.16Å; L135-F340 CarbonylContact C-O 3.55Å; L135-F340 WeakPolarHBondContact CA-O 3.37Å; L135-F340 PolarHBondContact N-O 2.96Å; L135-F340 CarbonylContact O-C 3.49Å; L135-F340 WeakPolarHBondContact O-CB 3.33Å; L135-F340 PolarHBondContact O-N 2.87Å; L135-L347 HydrophobicContact CD1-CB 3.87Å; L135-L347 HydrophobicContact CD1-CD1 3.59Å; L135-L347 HydrophobicContact CD1-CG 4.38Å; L135-L347 HydrophobicContact CD2-CD1 3.57Å; L135-L347 HydrophobicContact CG-CD1 4.23Å
136	R	78.4	Confident	76.7	Confident	93 Å²	93	51 Å²	51	35%	0.351	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	104.9	179.9	-168.8	-176.8	-158.9	176.3	11.5	109.8	T128 D166 A339	T128-R136 PolarHBondContact N-O 3.32Å; T128-R136 WeakPolarHBondContact O-CB 3.45Å; T128-R136 PolarHBondContact O-N 3.04Å; R136-D166 IonicContact CZ-OD2 2.89Å; R136-D166 IonicContact NE-OD2 2.91Å; R136-D166 IonicContact NH2-OD2 2.76Å; R136-D166 PolarHBondContact NH2-OD2 2.85Å; R136-A339 HydrophobicContact CG-CB 4.46Å
137	L	79.9	Confident	77	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.3	171.4	-49.7	178.4	0	0	0	109.3	L122 V124 C127 L135 I154 S338 F340 L354 V356	L122-L137 HydrophobicContact CD2-CB 4.38Å; V124-L137 HydrophobicContact CG1-CB 4.13Å; V124-L137 HydrophobicContact CG1-CD2 4.14Å; V124-L137 HydrophobicContact CG2-CB 4.15Å; V124-L137 HydrophobicContact CG2-CD1 4.1Å; C127-L137 HydrophobicContact CB-CD2 3.63Å; C127-L137 WeakPolarHBondContact SG-CD2 3.13Å; L135-L137 HydrophobicContact CD1-CD2 4.27Å; L135-L137 HydrophobicContact CD2-CD1 3.94Å; L135-L137 HydrophobicContact CD2-CD2 3.87Å; L135-L137 HydrophobicContact CD2-CG 3.95Å; L135-L137 HydrophobicContact CG-CD2 3.75Å; L135-L137 HydrophobicContact CG-CG 4.05Å; L135-L137 PolarHBondContact O-N 3.22Å; L137-I154 HydrophobicContact CD1-CD1 4.42Å; L137-S338 CarbonylContact O-C 3.53Å; L137-S338 VanDerWaalsContact O-C 3.24Å; L137-S338 WeakPolarHBondContact O-CA 3.49Å; L137-F340 HydrophobicContact CB-CD2 3.55Å; L137-F340 HydrophobicContact CB-CE2 3.71Å; L137-F340 HydrophobicContact CD1-CD2 3.69Å; L137-F340 HydrophobicContact CD1-CE2 3.98Å; L137-F340 HydrophobicContact CD1-CG 4.15Å; L137-F340 HydrophobicContact CG-CD2 3.65Å; L137-F340 HydrophobicContact CG-CE2 4.17Å; L137-F340 HydrophobicContact CG-CG 4.36Å; L137-L354 HydrophobicContact CD1-CD2 4.35Å; L137-L354 HydrophobicContact CD2-CD2 4.04Å; L137-V356 HydrophobicContact CD1-CG2 3.59Å
138	C	76.4	Confident	77.1	Confident	22 Å²	22	50.5 Å²	50.5	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.4	173.6	-60.6	0	0	0	0	109.4	V124 E125 S126	V124-C138 CarbonylContact C-O 3.25Å; V124-C138 WeakPolarHBondContact CA-O 3.29Å; E125-C138 PolarHBondContact N-O 3.27Å; S126-C138 PolarHBondContact N-O 2.89Å; S126-C138 PolarHBondContact O-N 3.41Å; S126-C138 WeakPolarHBondContact OG-CB 3.31Å
139	G	78.4	Confident	77.6	Confident	19 Å²	19	54 Å²	54	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-174.1	-175.9	0	0	0	0	0	114.7	L122 L123	L122-G139 WeakPolarHBondContact CD1-O 3.49Å; L123-G139 CarbonylContact O-C 3.54Å; L123-G139 WeakPolarHBondContact O-CA 3.38Å
140	Y	78.7	Confident	78	Confident	33 Å²	33	52.6 Å²	52.6	13%	0.129	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.9	-177.3	-57.7	-90.5	0	0	0	111.7	F3 R12 L123 E125 D170 P171	F3-Y140 HydrophobicContact CE1-CD2 4.11Å; F3-Y140 AromaticContact CE1-CE2 3.58Å; F3-Y140 HydrophobicContact CE1-CE2 3.58Å; F3-Y140 HydrophobicContact CE2-CE2 4.37Å; F3-Y140 HydrophobicContact CZ-CD2 4.03Å; F3-Y140 AromaticContact CZ-CE2 3.44Å; F3-Y140 HydrophobicContact CZ-CE2 3.44Å; F3-Y140 VanDerWaalsContact CZ-CE2 3.44Å; R12-Y140 VanDerWaalsContact NH1-CE1 3.35Å; L123-Y140 PolarHBondContact N-O 3.13Å; L123-Y140 VanDerWaalsContact N-O 3.12Å; L123-Y140 PolarHBondContact O-N 3.1Å; E125-Y140 WeakPolarHBondContact OE2-CE2 3.26Å; E125-Y140 PolarHBondContact OE2-OH 3.15Å; Y140-D170 PolarHBondContact OH-OD1 2.95Å; Y140-P171 WeakPolarHBondContact OH-CG 3.48Å
141	V	81.6	Confident	79	Confident	30 Å²	30	51 Å²	51	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.4	171.7	-177.5	0	0	0	0	110	T120 R121 L122 L146 V336 V337	T120-V141 HydrophobicContact CG2-CG1 3.37Å; R121-V141 CarbonylContact O-C 3.57Å; L122-V141 HydrophobicContact CD1-CG2 3.94Å; V141-L146 HydrophobicContact CG1-CB 4.43Å; V141-V336 HydrophobicContact CB-CG1 4.44Å; V141-V336 HydrophobicContact CG2-CG1 4.15Å; V141-V337 HydrophobicContact CG2-CB 4.12Å; V141-V337 HydrophobicContact CG2-CG2 4.25Å
142	R	80.3	Confident	80	Confident	116 Å²	116	47.6 Å²	47.6	44%	0.438	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.8	178.2	-56.4	-69	-173.9	162.5	-1.4	109.7	T120 R121	T120-R142 WeakPolarHBondContact CA-O 3.09Å; R121-R142 HydrophobicContact CG-CB 3.83Å; R121-R142 PolarHBondContact N-O 3.33Å; R121-R142 PolarHBondContact O-N 3.05Å
143	G	80.4	Confident	81.2	Confident	54 Å²	54	40.4 Å²	40.4	56%	0.557	23%	0.228	S	C	*	.	S	Bend	trans	95.8	-149.1	-176.9	0	0	0	0	0	110.7
144	P	81.9	Confident	82.1	Confident	41 Å²	41	37.9 Å²	37.9	27%	0.266	21%	0.21	S	C	.	.	S	Bend	trans	-57.4	172.7	169.1	-22.6	34.4	0	0	0	112.8	E117 T120	E117-P144 WeakPolarHBondContact O-CD 3.3Å; E117-P144 WeakPolarHBondContact O-CG 3.13Å; T120-P144 WeakPolarHBondContact CG2-O 2.89Å; T120-P144 PolarHBondContact OG1-O 2.71Å
145	S	81.3	Confident	82.7	Confident	35 Å²	35	36.5 Å²	36.5	25%	0.245	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-64.3	155.4	173	58.5	0	0	0	0	111.6	T120 V332 G334	T120-S145 PolarHBondContact OG1-O 3.47Å; S145-V332 VanDerWaalsContact OG-C 3.31Å; S145-V332 WeakPolarHBondContact OG-CB 3.45Å; S145-V332 VanDerWaalsContact OG-CG1 3.31Å; S145-V332 WeakPolarHBondContact OG-CG1 3.22Å; S145-V332 PolarHBondContact OG-O 2.89Å; S145-G334 WeakPolarHBondContact CB-O 3.39Å
146	L	81.5	Confident	82.7	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.031	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-95.1	127.1	176.3	-169.9	50.7	0	0	0	110.3	T120 V141 L162 G334 A335 V337	T120-L146 HydrophobicContact CG2-CB 3.89Å; T120-L146 HydrophobicContact CG2-CD1 4.12Å; T120-L146 HydrophobicContact CG2-CG 4.48Å; V141-L146 HydrophobicContact CG1-CB 4.43Å; L146-L162 HydrophobicContact CD1-CD1 4.37Å; L146-L162 HydrophobicContact CD2-CD1 4.34Å; L146-L162 HydrophobicContact CG-CD1 4.28Å; L146-G334 CarbonylContact O-C 3.54Å; L146-G334 WeakPolarHBondContact O-CA 3.28Å; L146-A335 PolarHBondContact O-N 2.74Å; L146-V337 HydrophobicContact CB-CG2 3.62Å; L146-V337 HydrophobicContact CD2-CB 3.8Å; L146-V337 HydrophobicContact CD2-CG1 3.93Å; L146-V337 HydrophobicContact CD2-CG2 3.55Å; L146-V337 HydrophobicContact CG-CG2 3.87Å
147	D	81.8	Confident	82.7	Confident	33 Å²	33	33 Å²	33	18%	0.176	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-99.3	124.9	176.8	176.4	4.5	0	0	0	109.3	N149 R150 V332	D147-N149 PolarHBondContact O-N 3.19Å; D147-N149 WeakPolarHBondContact OD1-CB 3.4Å; D147-N149 PolarHBondContact OD1-N 3.41Å; D147-N149 PolarHBondContact OD1-ND2 2.77Å; D147-R150 HydrophobicContact CB-CB 4.33Å; D147-R150 HydrophobicContact CB-CG 3.9Å; D147-R150 PolarHBondContact O-N 3.22Å; D147-R150 VanDerWaalsContact O-N 3.15Å; D147-R150 WeakPolarHBondContact OD2-CG 3.16Å; D147-R150 IonicContact OD2-NE 3.41Å; D147-R150 PolarHBondContact OD2-NE 3.47Å; D147-V332 HydrophobicContact CB-CG1 3.69Å
148	V	80.9	Confident	83	Confident	54 Å²	54	33.5 Å²	33.5	33%	0.327	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31	179.3	-166.8	0	0	0	0	111.5	R150 L162 V165	V148-R150 VanDerWaalsContact C-N 3.26Å; V148-R150 PolarHBondContact O-N 3.39Å; V148-L162 HydrophobicContact CG1-CB 4.42Å; V148-L162 WeakPolarHBondContact O-CB 3.48Å; V148-V165 HydrophobicContact CB-CG2 4.15Å; V148-V165 HydrophobicContact CG1-CB 4.44Å; V148-V165 HydrophobicContact CG1-CG2 3.93Å; V148-V165 HydrophobicContact CG2-CB 3.74Å; V148-V165 HydrophobicContact CG2-CG1 4.05Å; V148-V165 HydrophobicContact CG2-CG2 3.7Å
149	N	85	Confident	83.7	Confident	144 Å²	144	34.8 Å²	34.8	77%	0.77	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.7	-177.5	-53.3	-73.3	0	0	0	112.8	D147	D147-N149 PolarHBondContact O-N 3.19Å; D147-N149 WeakPolarHBondContact OD1-CB 3.4Å; D147-N149 PolarHBondContact OD1-N 3.41Å; D147-N149 PolarHBondContact OD1-ND2 2.77Å
150	R	85.1	Confident	84.1	Confident	22 Å²	22	35.7 Å²	35.7	8%	0.083	20%	0.198	C	C	.	.	S	Bend	trans	-87	138	178.2	-71	-179.7	-170.6	-152	-7.7	110.5	D147 V148	D147-R150 HydrophobicContact CB-CB 4.33Å; D147-R150 HydrophobicContact CB-CG 3.9Å; D147-R150 PolarHBondContact O-N 3.22Å; D147-R150 VanDerWaalsContact O-N 3.15Å; D147-R150 WeakPolarHBondContact OD2-CG 3.16Å; D147-R150 IonicContact OD2-NE 3.41Å; D147-R150 PolarHBondContact OD2-NE 3.47Å; V148-R150 VanDerWaalsContact C-N 3.26Å; V148-R150 PolarHBondContact O-N 3.39Å
151	L	90.2	Very high	84.5	Confident	42 Å²	42	40.6 Å²	40.6	22%	0.22	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	159.1	168.6	-62.1	175.1	0	0	0	110.4	Y160 Q161 L359 Q364	L151-Y160 WeakPolarHBondContact CA-O 3.38Å; L151-Q161 HydrophobicContact CD2-CB 3.66Å; L151-Q161 HydrophobicContact CD2-CG 4.05Å; L151-L359 HydrophobicContact CB-CB 4.38Å; L151-L359 HydrophobicContact CB-CD1 3.93Å; L151-L359 WeakPolarHBondContact O-CB 3.22Å; L151-L359 PolarHBondContact O-N 3.34Å; L151-Q364 HydrophobicContact CD1-CB 3.5Å; L151-Q364 HydrophobicContact CD1-CG 3.45Å; L151-Q364 VanDerWaalsContact CD1-CG 3.45Å
152	V	90.4	Very high	84.6	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.7	-173.2	161.1	0	0	0	0	109.2	D159 Y160 L162 F340 V356 Y357	V152-D159 CarbonylContact O-C 3.58Å; V152-D159 WeakPolarHBondContact O-CA 3.1Å; V152-Y160 PolarHBondContact N-O 3.11Å; V152-Y160 PolarHBondContact O-N 3.15Å; V152-L162 HydrophobicContact CG2-CD1 3.79Å; V152-L162 HydrophobicContact CG2-CG 3.88Å; V152-F340 HydrophobicContact CB-CE1 4.27Å; V152-F340 HydrophobicContact CG1-CD1 4.23Å; V152-F340 HydrophobicContact CG1-CE1 3.76Å; V152-F340 HydrophobicContact CG2-CE1 4.03Å; V152-V356 HydrophobicContact CG1-CG1 3.1Å; V152-Y357 CarbonylContact C-O 3.56Å; V152-Y357 VanDerWaalsContact CA-O 3.32Å; V152-Y357 WeakPolarHBondContact CA-O 3.5Å
153	H	91	Very high	84.5	Confident	7 Å²	7	36.6 Å²	36.6	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.2	175.9	-177.3	77.2	0	0	0	111.5	G158 D159 Y357 L359 Y395	H153-G158 WeakPolarHBondContact CA-O 3.41Å; H153-G158 PolarHBondContact ND1-O 3.27Å; H153-D159 IonicContact CE1-OD1 3.98Å; H153-D159 IonicContact CG-OD1 2.81Å; H153-D159 IonicContact ND1-OD1 3.6Å; H153-D159 PolarHBondContact ND1-OD1 2.98Å; H153-Y357 PolarHBondContact N-O 3.38Å; H153-Y357 PolarHBondContact O-N 3.11Å; H153-L359 HydrophobicContact CB-CD1 4.33Å; H153-L359 HydrophobicContact CB-CD2 3.82Å; H153-L359 HydrophobicContact CB-CG 4.1Å; H153-Y395 HydrophobicContact CB-CD2 4.34Å; H153-Y395 HydrophobicContact CB-CE2 4.22Å; H153-Y395 AromaticContact CD2-CD2 3.56Å
154	I	88.3	Confident	84.3	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.3	168	-55.8	-177.1	0	0	0	107.1	L135 L137 G156 W157 G158 Y160 L354 V356	L135-I154 HydrophobicContact CD2-CD1 4.16Å; L137-I154 HydrophobicContact CD1-CD1 4.42Å; I154-G156 PolarHBondContact O-N 3.02Å; I154-W157 HydrophobicContact CB-CB 4.07Å; I154-W157 HydrophobicContact CG2-CB 3.97Å; I154-W157 HydrophobicContact CG2-CG 4.13Å; I154-W157 PolarHBondContact O-N 2.73Å; I154-W157 VanDerWaalsContact O-N 3.11Å; I154-G158 PolarHBondContact N-O 3.36Å; I154-G158 PolarHBondContact O-N 2.69Å; I154-Y160 HydrophobicContact CB-CD2 4.46Å; I154-Y160 HydrophobicContact CB-CE2 4.2Å; I154-Y160 HydrophobicContact CD1-CD2 3.85Å; I154-Y160 HydrophobicContact CD1-CE2 4Å; I154-Y160 HydrophobicContact CG1-CD2 3.96Å; I154-Y160 HydrophobicContact CG1-CE2 4.15Å; I154-L354 HydrophobicContact CG2-CD1 3.73Å; I154-V356 HydrophobicContact CG1-CG1 4.47Å; I154-V356 HydrophobicContact CG1-CG2 4.22Å
155	P	85.9	Confident	84.1	Confident	8 Å²	8	33.3 Å²	33.3	5%	0.052	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133.8	178.7	-23.6	33.8	0	0	0	111.3	W157 V355 Y357	P155-W157 PolarHBondContact O-N 3.15Å; P155-V355 WeakPolarHBondContact CD-O 3.29Å; P155-Y357 HydrophobicContact CG-CD2 4.01Å; P155-Y357 HydrophobicContact CG-CE2 3.71Å
156	G	79.3	Confident	83.8	Confident	4 Å²	4	32.3 Å²	32.3	4%	0.041	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-17.7	-179.2	0	0	0	0	0	115.5	I154 D556	I154-G156 PolarHBondContact O-N 3.02Å; G156-D556 WeakPolarHBondContact CA-OD2 3.4Å
157	W	79.4	Confident	83.3	Confident	20 Å²	20	35.5 Å²	35.5	8%	0.076	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-50.8	-175.3	-69.9	85.9	0	0	0	113.3	I154 P155 Y160 Y344 F346 L347 F350	I154-W157 HydrophobicContact CB-CB 4.07Å; I154-W157 HydrophobicContact CG2-CB 3.97Å; I154-W157 HydrophobicContact CG2-CG 4.13Å; I154-W157 PolarHBondContact O-N 2.73Å; I154-W157 VanDerWaalsContact O-N 3.11Å; P155-W157 PolarHBondContact O-N 3.15Å; W157-Y160 HydrophobicContact CB-CE2 4.22Å; W157-Y160 PolarHBondContact O-OH 2.9Å; W157-Y344 AromaticContact CE3-CD1 3.7Å; W157-Y344 HydrophobicContact CE3-CD1 3.7Å; W157-Y344 HydrophobicContact CE3-CE1 4.14Å; W157-Y344 HydrophobicContact CE3-CG 4.12Å; W157-Y344 AromaticContact CZ3-CD1 3.62Å; W157-Y344 HydrophobicContact CZ3-CD1 3.62Å; W157-Y344 HydrophobicContact CZ3-CE1 4.35Å; W157-Y344 HydrophobicContact CZ3-CG 4.17Å; W157-F346 HydrophobicContact CH2-CB 3.72Å; W157-F346 HydrophobicContact CZ3-CB 4.33Å; W157-L347 HydrophobicContact CD2-CD2 3.79Å; W157-L347 HydrophobicContact CD2-CG 4.29Å; W157-L347 HydrophobicContact CE3-CD2 4.37Å; W157-L347 HydrophobicContact CE3-CG 4.39Å; W157-L347 HydrophobicContact CG-CD2 4.24Å; W157-L347 HydrophobicContact CH2-CD2 4.31Å; W157-L347 HydrophobicContact CH2-CG 4.37Å; W157-L347 HydrophobicContact CZ2-CD2 3.7Å; W157-L347 HydrophobicContact CZ2-CG 4.24Å; W157-L347 HydrophobicContact CZ3-CG 4.43Å; W157-F350 AromaticContact CE2-CZ 3.96Å; W157-F350 AromaticContact CZ2-CE2 3.71Å; W157-F350 HydrophobicContact CZ2-CE2 3.71Å; W157-F350 AromaticContact CZ2-CZ 3.66Å; W157-F350 HydrophobicContact CZ2-CZ 3.66Å; W157-F350 AromaticContact NE1-CZ 3.65Å
158	G	86.1	Confident	82.8	Confident	10 Å²	10	37.6 Å²	37.6	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.2	-161.4	177.8	0	0	0	0	0	115.5	H153 I154	H153-G158 WeakPolarHBondContact CA-O 3.41Å; H153-G158 PolarHBondContact ND1-O 3.27Å; I154-G158 PolarHBondContact N-O 3.36Å; I154-G158 PolarHBondContact O-N 2.69Å
159	D	89.7	Confident	82.2	Confident	48 Å²	48	38.9 Å²	38.9	26%	0.257	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133	179	-64.5	2.1	0	0	0	109.7	V152 H153 L359 R396	V152-D159 CarbonylContact O-C 3.58Å; V152-D159 WeakPolarHBondContact O-CA 3.1Å; H153-D159 IonicContact CE1-OD1 3.98Å; H153-D159 IonicContact CG-OD1 2.81Å; H153-D159 IonicContact ND1-OD1 3.6Å; H153-D159 PolarHBondContact ND1-OD1 2.98Å; D159-L359 HydrophobicContact CB-CD1 4.09Å; D159-L359 WeakPolarHBondContact OD2-CD1 3.18Å; D159-R396 IonicContact OD1-CZ 3.39Å; D159-R396 IonicContact OD1-NH1 3.71Å; D159-R396 PolarHBondContact OD1-NH1 3.41Å; D159-R396 IonicContact OD1-NH2 3.03Å; D159-R396 IonicContact OD2-CZ 3.62Å; D159-R396 VanDerWaalsContact OD2-CZ 3.27Å; D159-R396 IonicContact OD2-NH1 2.69Å; D159-R396 PolarHBondContact OD2-NH1 2.95Å; D159-R396 IonicContact OD2-NH2 3.44Å; D159-R396 PolarHBondContact OD2-NH2 2.82Å
160	Y	88.3	Confident	81.5	Confident	39 Å²	39	35 Å²	35	15%	0.153	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	154	-174.6	-58	-62.1	0	0	0	111.7	L151 V152 I154 W157 Y344	L151-Y160 WeakPolarHBondContact CA-O 3.38Å; V152-Y160 PolarHBondContact N-O 3.11Å; V152-Y160 PolarHBondContact O-N 3.15Å; I154-Y160 HydrophobicContact CB-CD2 4.46Å; I154-Y160 HydrophobicContact CB-CE2 4.2Å; I154-Y160 HydrophobicContact CD1-CD2 3.85Å; I154-Y160 HydrophobicContact CD1-CE2 4Å; I154-Y160 HydrophobicContact CG1-CD2 3.96Å; I154-Y160 HydrophobicContact CG1-CE2 4.15Å; W157-Y160 HydrophobicContact CB-CE2 4.22Å; W157-Y160 PolarHBondContact O-OH 2.9Å; Y160-Y344 HydrophobicContact CD1-CE2 4.23Å; Y160-Y344 AromaticContact CE1-CE2 3.42Å; Y160-Y344 HydrophobicContact CE1-CE2 3.42Å; Y160-Y344 VanDerWaalsContact CE1-CE2 3.42Å; Y160-Y344 AromaticContact CE1-CZ 3.63Å; Y160-Y344 WeakPolarHBondContact CE1-OH 3.41Å; Y160-Y344 HydrophobicContact CE2-CE2 4.26Å; Y160-Y344 AromaticContact CZ-CE2 3.42Å; Y160-Y344 VanDerWaalsContact CZ-CE2 3.42Å; Y160-Y344 AromaticContact CZ-CZ 3.64Å; Y160-Y344 WeakPolarHBondContact OH-CE2 3.3Å; Y160-Y344 PolarHBondContact OH-OH 2.93Å
161	Q	86.9	Confident	80.9	Confident	135 Å²	135	37.5 Å²	37.5	63%	0.631	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.8	174	-174.5	168	-7.7	0	0	110.6	L151	L151-Q161 HydrophobicContact CD2-CB 3.66Å; L151-Q161 HydrophobicContact CD2-CG 4.05Å
162	L	82.2	Confident	80.1	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	20%	0.203	C	C	.	.			trans	-69.9	130.7	166.1	-82	168.9	0	0	0	109.5	L146 V148 V152 V165 A339 F340	L146-L162 HydrophobicContact CD1-CD1 4.37Å; L146-L162 HydrophobicContact CD2-CD1 4.34Å; L146-L162 HydrophobicContact CG-CD1 4.28Å; V148-L162 HydrophobicContact CG1-CB 4.42Å; V148-L162 WeakPolarHBondContact O-CB 3.48Å; V152-L162 HydrophobicContact CG2-CD1 3.79Å; V152-L162 HydrophobicContact CG2-CG 3.88Å; L162-V165 HydrophobicContact CD1-CG2 4.08Å; L162-V165 HydrophobicContact CD2-CG2 4.1Å; L162-A339 WeakPolarHBondContact CD2-O 3.41Å; L162-F340 HydrophobicContact CD2-CD1 3.35Å; L162-F340 HydrophobicContact CD2-CE1 3.38Å; L162-F340 HydrophobicContact CD2-CG 4.03Å; L162-F340 HydrophobicContact CD2-CZ 4.08Å; L162-F340 HydrophobicContact CG-CD1 4.23Å; L162-F340 HydrophobicContact CG-CE1 4.16Å
163	T	80.2	Confident	79.1	Confident	59 Å²	59	38.7 Å²	38.7	36%	0.362	21%	0.211	S	C	.	.			trans	-88.5	-33	167.4	-40.3	0	0	0	0	111	N185 N341	T163-N185 HydrophobicContact CG2-CB 4.32Å; T163-N185 WeakPolarHBondContact CG2-OD1 3.49Å; T163-N341 WeakPolarHBondContact OG1-CB 3.37Å; T163-N341 PolarHBondContact OG1-ND2 3.07Å; T163-N341 VanDerWaalsContact OG1-ND2 3.13Å
164	S	75.7	Confident	78	Confident	9 Å²	9	41.9 Å²	41.9	6%	0.063	23%	0.228	C	C	.	.			trans	-166.8	138.1	-144.5	79.3	0	0	0	0	109.7	F183 N185 A339	S164-F183 VanDerWaalsContact CB-CD1 3.42Å; S164-N185 WeakPolarHBondContact CB-OD1 3.17Å; S164-A339 VanDerWaalsContact O-O 3.12Å
165	V	76.3	Confident	76.8	Confident	17 Å²	17	48.2 Å²	48.2	10%	0.103	26%	0.258	C	S	.	.			trans	-141.8	103.2	-165.1	154.9	0	0	0	0	115.5	V148 L162 F183 A335 V337	V148-V165 HydrophobicContact CB-CG2 4.15Å; V148-V165 HydrophobicContact CG1-CB 4.44Å; V148-V165 HydrophobicContact CG1-CG2 3.93Å; V148-V165 HydrophobicContact CG2-CB 3.74Å; V148-V165 HydrophobicContact CG2-CG1 4.05Å; V148-V165 HydrophobicContact CG2-CG2 3.7Å; L162-V165 HydrophobicContact CD1-CG2 4.08Å; L162-V165 HydrophobicContact CD2-CG2 4.1Å; V165-F183 VanDerWaalsContact CA-CZ 3.48Å; V165-F183 WeakPolarHBondContact O-CE2 3.15Å; V165-F183 VanDerWaalsContact O-CZ 3.3Å; V165-F183 WeakPolarHBondContact O-CZ 3.37Å; V165-A335 HydrophobicContact CG1-CB 4.26Å; V165-V337 HydrophobicContact CB-CG1 3.89Å; V165-V337 HydrophobicContact CB-CG2 4.3Å; V165-V337 HydrophobicContact CG1-CB 3.92Å; V165-V337 HydrophobicContact CG1-CG1 3.73Å; V165-V337 HydrophobicContact CG1-CG2 3.27Å; V165-V337 HydrophobicContact CG2-CG1 3.55Å; V165-V337 HydrophobicContact CG2-CG2 4.27Å
166	D	74.9	Confident	75.1	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.07	29%	0.291	C	S	.	.			trans	-96.2	128.4	-164.9	-102.8	-32.9	0	0	0	113.4	R136 L168 F183 V336 V337 S338	R136-D166 IonicContact CZ-OD2 2.89Å; R136-D166 IonicContact NE-OD2 2.91Å; R136-D166 IonicContact NH2-OD2 2.76Å; R136-D166 PolarHBondContact NH2-OD2 2.85Å; D166-L168 HydrophobicContact CB-CG 4.48Å; D166-L168 PolarHBondContact O-N 3.07Å; D166-F183 VanDerWaalsContact CA-CE2 3.45Å; D166-F183 HydrophobicContact CB-CE2 4.03Å; D166-F183 HydrophobicContact CB-CZ 3.6Å; D166-F183 WeakPolarHBondContact OD1-CE2 2.94Å; D166-F183 WeakPolarHBondContact OD1-CZ 3.32Å; D166-V336 CarbonylContact C-O 3.56Å; D166-V336 VanDerWaalsContact O-O 3.13Å; D166-V337 CarbonylContact O-C 3.59Å; D166-V337 WeakPolarHBondContact O-CA 3.39Å; D166-S338 WeakPolarHBondContact CB-OG 3.31Å; D166-S338 PolarHBondContact O-N 2.76Å; D166-S338 PolarHBondContact O-OG 2.91Å; D166-S338 VanDerWaalsContact O-OG 3.1Å
167	V	72	Confident	73.4	Confident	74 Å²	74	63.8 Å²	63.8	45%	0.448	33%	0.326	S	S	.	.			trans	-87.4	88.3	160.9	-174	0	0	0	0	108.1	A181 V336	V167-A181 HydrophobicContact CB-CB 4.19Å; V167-A181 WeakPolarHBondContact O-CB 3.26Å; V167-V336 VanDerWaalsContact CG2-O 3.27Å; V167-V336 WeakPolarHBondContact CG2-O 3.11Å
168	L	71.5	Confident	71.1	Confident	77 Å²	77	70.7 Å²	70.7	40%	0.403	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-73.9	157	165.8	-75.1	178.6	0	0	0	111.3	D166 S338	D166-L168 HydrophobicContact CB-CG 4.48Å; D166-L168 PolarHBondContact O-N 3.07Å; L168-S338 WeakPolarHBondContact CD1-OG 3.18Å; L168-S338 WeakPolarHBondContact CG-OG 3.31Å
169	L	68.9	Low	68.5	Low	81 Å²	81	77.7 Å²	77.7	42%	0.424	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63.4	139.3	167.7	-67.9	169.6	0	0	0	110	P171 Q179	L169-P171 WeakPolarHBondContact O-CD 3.29Å; L169-Q179 HydrophobicContact CD1-CG 4.23Å
170	D	69.8	Low	65.6	Low	63 Å²	63	78.7 Å²	78.7	34%	0.337	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-60.8	118.8	174	-176.1	-11.8	0	0	0	109.1	R12 Y140 H172 P173	R12-D170 IonicContact CZ-OD1 3.66Å; R12-D170 IonicContact CZ-OD2 3.23Å; R12-D170 VanDerWaalsContact CZ-OD2 3.23Å; R12-D170 VanDerWaalsContact NH1-CG 3.27Å; R12-D170 IonicContact NH1-OD1 2.82Å; R12-D170 PolarHBondContact NH1-OD1 3.28Å; R12-D170 IonicContact NH1-OD2 2.89Å; R12-D170 PolarHBondContact NH1-OD2 2.74Å; R12-D170 IonicContact NH2-OD1 3.75Å; R12-D170 IonicContact NH2-OD2 2.67Å; R12-D170 PolarHBondContact NH2-OD2 3.09Å; Y140-D170 PolarHBondContact OH-OD1 2.95Å; D170-H172 PolarHBondContact O-N 3.08Å; D170-H172 WeakPolarHBondContact OD1-CA 3.24Å; D170-H172 PolarHBondContact OD1-N 3Å; D170-P173 HydrophobicContact CB-CB 4.32Å; D170-P173 WeakPolarHBondContact O-CD 3.32Å
171	P	72.5	Confident	62.8	Low	74 Å²	74	79.2 Å²	79.2	48%	0.481	42%	0.416	S	S	.	.	S	Bend	trans	-72.3	-12.7	179.7	30.2	-35.5	0	0	0	112.4	Y140 L169	Y140-P171 WeakPolarHBondContact OH-CG 3.48Å; L169-P171 WeakPolarHBondContact O-CD 3.29Å
172	H	72.9	Confident	60	Low	39 Å²	39	80.8 Å²	80.8	18%	0.181	43%	0.428	C	S	.	.	S	Bend	trans	-131.5	45	-175.1	-66.3	-15.9	0	0	0	113	F3 R5 R12 E125 D170	F3-H172 VanDerWaalsContact CB-CD2 3.44Å; F3-H172 WeakPolarHBondContact CB-CD2 3.44Å; F3-H172 AromaticContact CD2-CD2 3.37Å; F3-H172 WeakPolarHBondContact CD2-CD2 3.42Å; F3-H172 AromaticContact CD2-NE2 3.4Å; F3-H172 WeakPolarHBondContact CD2-NE2 3.36Å; F3-H172 AromaticContact CG-CD2 3.34Å; F3-H172 WeakPolarHBondContact CG-CD2 2.74Å; F3-H172 AromaticContact CG-NE2 3.78Å; R5-H172 PolarHBondContact NH2-ND1 3.02Å; R5-H172 VanDerWaalsContact NH2-ND1 3.14Å; R12-H172 PolarHBondContact NE-O 3.05Å; R12-H172 PolarHBondContact NH1-O 3.45Å; R12-H172 PolarHBondContact NH2-O 3.23Å; E125-H172 IonicContact OE1-CE1 3.98Å; E125-H172 IonicContact OE1-NE2 3.56Å; D170-H172 PolarHBondContact O-N 3.08Å; D170-H172 WeakPolarHBondContact OD1-CA 3.24Å; D170-H172 PolarHBondContact OD1-N 3Å
173	P	69.7	Low	57.5	Low	28 Å²	28	84.2 Å²	84.2	18%	0.182	44%	0.443	C	S	.	.			trans	-58.9	148.4	-165	30.9	-36	0	0	0	111.6	D170 H175 E176	D170-P173 HydrophobicContact CB-CB 4.32Å; D170-P173 WeakPolarHBondContact O-CD 3.32Å; P173-H175 VanDerWaalsContact C-N 3.28Å; P173-H175 WeakPolarHBondContact CB-O 3.05Å; P173-E176 HydrophobicContact CG-CB 4.35Å; P173-E176 HydrophobicContact CG-CG 3.72Å
174	L	68.6	Low	55.1	Low	74 Å²	74	84.8 Å²	84.8	39%	0.387	45%	0.45	S	S	.	.	S	Bend	trans	-69.8	-32.9	172.2	-77.9	173.8	0	0	0	111	R12	R12-L174 HydrophobicContact CB-CD2 4.12Å
175	H	62.8	Low	52.9	Low	137 Å²	137	87.2 Å²	87.2	63%	0.634	46%	0.462	S	S	*	.	S	Bend	trans	-141.8	128.3	172	-55.9	-64.5	0	0	0	107	P173 F177	P173-H175 VanDerWaalsContact C-N 3.28Å; P173-H175 WeakPolarHBondContact CB-O 3.05Å; H175-F177 HydrophobicContact CB-CE2 4.35Å
176	E	49.6	Very low	50.7	Low	161 Å²	161	95.6 Å²	95.6	75%	0.752	49%	0.493	S	S	*	.			trans	-69.2	131.9	-170.9	-68.7	174	162.4	0	0	112.7	P173	P173-E176 HydrophobicContact CG-CB 4.35Å; P173-E176 HydrophobicContact CG-CG 3.72Å
177	F	43.3	Very low	48.4	Very low	177 Å²	177	102.5 Å²	102.5	78%	0.776	53%	0.529	S	S	*	.			trans	-150.7	162.1	177.8	-81.3	-75.3	0	0	0	112.3	H175	H175-F177 HydrophobicContact CB-CE2 4.35Å
178	Q	32.2	Very low	46.3	Very low	165 Å²	165	105.3 Å²	105.3	77%	0.771	54%	0.537	S	S	*	.			trans	-128	161.6	-175.8	-63.8	174.7	11.2	0	0	109.9
179	Q	31.3	Very low	44.3	Very low	158 Å²	158	112.4 Å²	112.4	74%	0.738	56%	0.56	S	S	*	*			cis	-142.8	155.6	-1.5	-137.9	174	13.3	0	0	111.7	L169	L169-Q179 HydrophobicContact CD1-CG 4.23Å
180	A	28.8	Very low	42.3	Very low	69 Å²	69	113.1 Å²	113.1	57%	0.57	56%	0.564	S	S	*	*			trans	-2.7	141	161.2	0	0	0	0	0	122.9
181	A	28.7	Very low	40.5	Very low	49 Å²	49	116.8 Å²	116.8	41%	0.405	58%	0.579	S	S	.	*			trans	-99.8	167.7	165.2	0	0	0	0	0	113.5	V167	V167-A181 HydrophobicContact CB-CB 4.19Å; V167-A181 WeakPolarHBondContact O-CB 3.26Å
182	L	28.6	Very low	38.2	Very low	168 Å²	168	123.5 Å²	123.5	88%	0.88	60%	0.601	S	S	*	*			trans	-131	159.2	-176.3	-99.3	173.1	0	0	0	112.3
183	F	29.6	Very low	36.3	Very low	77 Å²	77	129.9 Å²	129.9	34%	0.338	63%	0.631	S	S	.	*			trans	-161.2	155.1	-172.5	-131.7	-138	0	0	0	116.4	S164 V165 D166 A339	S164-F183 VanDerWaalsContact CB-CD1 3.42Å; V165-F183 VanDerWaalsContact CA-CZ 3.48Å; V165-F183 WeakPolarHBondContact O-CE2 3.15Å; V165-F183 VanDerWaalsContact O-CZ 3.3Å; V165-F183 WeakPolarHBondContact O-CZ 3.37Å; D166-F183 VanDerWaalsContact CA-CE2 3.45Å; D166-F183 HydrophobicContact CB-CE2 4.03Å; D166-F183 HydrophobicContact CB-CZ 3.6Å; D166-F183 WeakPolarHBondContact OD1-CE2 2.94Å; D166-F183 WeakPolarHBondContact OD1-CZ 3.32Å; F183-A339 HydrophobicContact CE1-CB 4.45Å
184	S	29.5	Very low	34.2	Very low	71 Å²	71	133.3 Å²	133.3	50%	0.497	66%	0.655	S	S	.	*				157.6	142.2	101.3	86.6	0	0	0	0	113.4
185	N	29.3	Very low	32.3	Very low	59 Å²	59	138.6 Å²	138.6	32%	0.316	68%	0.675	S	S	.	*			trans	63.3	150.2	137.4	-51.1	-9.4	0	0	0	119	T163 S164	T163-N185 HydrophobicContact CG2-CB 4.32Å; T163-N185 WeakPolarHBondContact CG2-OD1 3.49Å; S164-N185 WeakPolarHBondContact CB-OD1 3.17Å
186	Y	30.4	Very low	30.7	Very low	193 Å²	193	139 Å²	139	76%	0.757	68%	0.681	S	S	*	*				-166.2	133.7	68.5	-83	-75.6	0	0	0	111.7
187	L	27.4	Very low	29.6	Very low	159 Å²	159	134.9 Å²	134.9	83%	0.832	68%	0.682	S	S	*	*				85.5	163.2	109.2	-80.9	175.7	0	0	0	118.9
188	H	27.4	Very low	28.9	Very low	132 Å²	132	133.2 Å²	133.2	61%	0.611	68%	0.681	S	S	*	*			trans	-144.6	161.8	-149.1	172.6	41.9	0	0	0	109.2
189	Y	28.7	Very low	28.7	Very low	226 Å²	226	135.9 Å²	135.9	89%	0.886	69%	0.69	S	S	*	*			trans	-157.9	171.2	148.8	-120.1	-81.1	0	0	0	113
190	D	27.4	Very low	28.6	Very low	96 Å²	96	136.7 Å²	136.7	51%	0.513	70%	0.696	S	S	.	*			trans	-115.2	158.4	-148.7	-116.8	-31.6	0	0	0	116.5
191	Q	31.1	Very low	28.7	Very low	140 Å²	140	142.3 Å²	142.3	65%	0.654	71%	0.711	S	S	*	*			trans	26.6	146.4	141.5	-67.5	165	58.1	0	0	123.6
192	F	25.7	Very low	28.9	Very low	216 Å²	216	148.8 Å²	148.8	95%	0.947	73%	0.732	S	S	*	*				-144.7	159.6	128.5	-93.6	-72.8	0	0	0	111.9
193	Q	31.5	Very low	29.2	Very low	172 Å²	172	146.8 Å²	146.8	80%	0.804	73%	0.729	S	S	*	*			trans	-131.1	-173.9	-175.9	-159.1	179.8	6.3	0	0	109.8
194	C	26.9	Very low	29.7	Very low	101 Å²	101	153.2 Å²	153.2	68%	0.682	76%	0.757	S	S	*	*			trans	111	150	167.8	-63.1	0	0	0	0	115
195	F	27.6	Very low	30.7	Very low	184 Å²	184	156.6 Å²	156.6	81%	0.807	77%	0.765	S	S	*	*			cis	-148.3	-159.1	-9.2	-126.2	-57.5	0	0	0	111.8
196	L	29.8	Very low	31.8	Very low	147 Å²	147	161.7 Å²	161.7	77%	0.77	79%	0.791	S	S	*	*			trans	-92.4	174.9	-160.3	-79.3	160.2	0	0	0	116.7
197	G	26.6	Very low	33.1	Very low	74 Å²	74	157.9 Å²	157.9	76%	0.763	78%	0.779	S	S	*	*			trans	-164.9	129.2	153.7	0	0	0	0	0	112.7
198	D	29.5	Very low	35	Very low	142 Å²	142	154.1 Å²	154.1	76%	0.759	76%	0.764	S	S	*	*			trans	-111.2	167.5	177.9	-76.5	-49.4	0	0	0	111.4
199	F	27.9	Very low	36.7	Very low	220 Å²	220	158.2 Å²	158.2	97%	0.965	78%	0.78	S	S	*	*			trans	-153.2	161.4	159.3	-103.1	-71.7	0	0	0	114.4
200	M	29.3	Very low	38.9	Very low	176 Å²	176	151.4 Å²	151.4	87%	0.867	78%	0.778	S	S	*	*			trans	-103.3	-174.1	-163.4	-68.1	-176.9	63.9	0	0	116
201	Q	30.5	Very low	41.2	Very low	186 Å²	186	148.8 Å²	148.8	87%	0.869	77%	0.766	S	S	*	*			trans	-123.4	170.3	-178.7	-67.6	-178.4	-26.4	0	0	113.2
202	H	32.6	Very low	43.5	Very low	185 Å²	185	144.6 Å²	144.6	86%	0.856	75%	0.752	S	S	*	*			trans	-121.2	160.3	-177.2	-59.5	-80.5	0	0	0	114.4
203	P	35.5	Very low	45.5	Very low	127 Å²	127	142.4 Å²	142.4	83%	0.825	74%	0.744	S	S	*	*			trans	-108	-168.6	179.9	38.5	-27.6	0	0	0	115.8
204	K	38.3	Very low	47.5	Very low	211 Å²	211	142 Å²	142	92%	0.917	74%	0.737	S	S	*	*			trans	-138.6	169	-163.7	-62.3	-175.9	177.5	-174.6	0	116.1
205	H	51.2	Low	49.9	Very low	142 Å²	142	142 Å²	142	66%	0.657	73%	0.727	S	S	*	*			trans	-72.6	174.7	-168.3	-83.3	-84.6	0	0	0	119.8
206	L	53.6	Low	51.9	Low	167 Å²	167	134 Å²	134	87%	0.874	69%	0.694	S	S	*	*			trans	-121.3	155.3	-169	-153.5	80.3	0	0	0	114.1
207	F	57.8	Low	53.6	Low	113 Å²	113	131 Å²	131	50%	0.496	68%	0.682	S	S	.	*			trans	-124	164.6	-178.4	-65.5	-86.2	0	0	0	113.7	A216 M220	F207-A216 HydrophobicContact CD1-CB 4.39Å; F207-A216 HydrophobicContact CE1-CB 4.47Å; F207-M220 HydrophobicContact CE1-CE 3.54Å; F207-M220 HydrophobicContact CZ-CE 3.4Å; F207-M220 VanDerWaalsContact CZ-CE 3.4Å
208	P	66.4	Low	55.5	Low	79 Å²	79	135.7 Å²	135.7	51%	0.513	68%	0.677	S	S	.	*			trans	-60.4	140.3	174.2	-20.6	32.7	0	0	0	113.3	G210 T211 M219	P208-G210 PolarHBondContact O-N 2.9Å; P208-T211 PolarHBondContact O-N 3.31Å; P208-T211 PolarHBondContact O-OG1 2.87Å; P208-M219 HydrophobicContact CG-CE 4.06Å
209	K	63.7	Low	57.3	Low	219 Å²	219	133 Å²	133	95%	0.952	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	126.1	-177.5	-65.6	-179.7	-179	176.9	0	110.8
210	G	73.6	Confident	58.5	Low	82 Å²	82	128.6 Å²	128.6	85%	0.845	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.6	-6.9	177.9	0	0	0	0	0	115.2	P208 S212	P208-G210 PolarHBondContact O-N 2.9Å; G210-S212 PolarHBondContact O-N 2.94Å
211	T	77.2	Confident	59.7	Low	41 Å²	41	126.7 Å²	126.7	25%	0.252	64%	0.638	S	S	.	*			trans	-68.6	120.2	173	-50.8	0	0	0	0	110.4	P208 Q215 A216 M219	P208-T211 PolarHBondContact O-N 3.31Å; P208-T211 PolarHBondContact O-OG1 2.87Å; T211-Q215 HydrophobicContact CG2-CB 3.72Å; T211-A216 HydrophobicContact CG2-CB 3.83Å; T211-M219 HydrophobicContact CG2-CE 3.76Å; T211-M219 HydrophobicContact CG2-SD 3.73Å
212	S	77.7	Confident	60.4	Low	53 Å²	53	125 Å²	125	37%	0.371	63%	0.634	S	S	.	*			trans	-69.9	153.8	170.1	63.2	0	0	0	0	111.3	G210 Y214 Q215 A216	G210-S212 PolarHBondContact O-N 2.94Å; S212-Y214 PolarHBondContact O-N 2.87Å; S212-Q215 CarbonylContact O-C 3.58Å; S212-Q215 WeakPolarHBondContact O-CA 3.37Å; S212-Q215 WeakPolarHBondContact O-CB 3.18Å; S212-Q215 PolarHBondContact O-N 2.98Å; S212-Q215 VanDerWaalsContact OG-CD 3.26Å; S212-Q215 WeakPolarHBondContact OG-CG 3.46Å; S212-Q215 PolarHBondContact OG-N 2.73Å; S212-Q215 PolarHBondContact OG-OE1 3.07Å; S212-A216 PolarHBondContact O-N 2.69Å
213	E	67.9	Low	60.5	Low	169 Å²	169	124.8 Å²	124.8	79%	0.79	63%	0.634	S	S	*	*	H	α-helix	trans	-54.5	-37.8	177.9	-174.5	178.2	-168.2	0	0	112.7	A216 T217	E213-A216 PolarHBondContact O-N 2.83Å; E213-T217 PolarHBondContact O-N 3.46Å; E213-T217 VanDerWaalsContact O-N 3.1Å; E213-T217 PolarHBondContact O-OG1 3.37Å
214	Y	74.3	Confident	60.4	Low	164 Å²	164	126.8 Å²	126.8	64%	0.643	63%	0.632	S	S	*	*	H	α-helix	trans	-58	-54.8	172.1	-177.8	-103.6	0	0	0	111	S212 A216 T217 W218	S212-Y214 PolarHBondContact O-N 2.87Å; Y214-A216 VanDerWaalsContact C-N 3.34Å; Y214-A216 PolarHBondContact O-N 3.07Å; Y214-T217 WeakPolarHBondContact O-CB 3.44Å; Y214-T217 PolarHBondContact O-N 3.38Å; Y214-W218 AromaticContact CD1-NE1 3.92Å; Y214-W218 AromaticContact CE1-NE1 3.38Å; Y214-W218 AromaticContact CE2-NE1 3.74Å; Y214-W218 AromaticContact CZ-NE1 3.29Å; Y214-W218 VanDerWaalsContact CZ-NE1 3.29Å
215	Q	76.4	Confident	60	Low	101 Å²	101	123.4 Å²	123.4	47%	0.472	63%	0.633	S	S	.	*	H	α-helix	trans	-60.7	-39.4	177.1	-71.6	162	-45	0	0	112.7	T211 S212 T217 W218 M219	T211-Q215 HydrophobicContact CG2-CB 3.72Å; S212-Q215 CarbonylContact O-C 3.58Å; S212-Q215 WeakPolarHBondContact O-CA 3.37Å; S212-Q215 WeakPolarHBondContact O-CB 3.18Å; S212-Q215 PolarHBondContact O-N 2.98Å; S212-Q215 VanDerWaalsContact OG-CD 3.26Å; S212-Q215 WeakPolarHBondContact OG-CG 3.46Å; S212-Q215 PolarHBondContact OG-N 2.73Å; S212-Q215 PolarHBondContact OG-OE1 3.07Å; Q215-T217 PolarHBondContact O-N 3.29Å; Q215-W218 PolarHBondContact O-N 3.11Å; Q215-W218 VanDerWaalsContact O-N 3.15Å; Q215-M219 WeakPolarHBondContact O-CG 2.98Å; Q215-M219 PolarHBondContact O-N 3.11Å
216	A	70.9	Confident	59	Low	15 Å²	15	120.2 Å²	120.2	12%	0.124	63%	0.632	C	S	.	*	H	α-helix	trans	-62.7	-32.2	179.8	0	0	0	0	0	112	F207 T211 S212 E213 Y214 M219 M220	F207-A216 HydrophobicContact CD1-CB 4.39Å; F207-A216 HydrophobicContact CE1-CB 4.47Å; T211-A216 HydrophobicContact CG2-CB 3.83Å; S212-A216 PolarHBondContact O-N 2.69Å; E213-A216 PolarHBondContact O-N 2.83Å; Y214-A216 VanDerWaalsContact C-N 3.34Å; Y214-A216 PolarHBondContact O-N 3.07Å; A216-M219 PolarHBondContact O-N 3.45Å; A216-M220 PolarHBondContact O-N 3.1Å; A216-M220 VanDerWaalsContact O-N 3.16Å
217	T	64.9	Low	58.1	Low	85 Å²	85	120.2 Å²	120.2	52%	0.521	63%	0.627	S	S	.	*	H	α-helix	trans	-64.6	-43.2	174.9	-50	0	0	0	0	111.2	E213 Y214 Q215 M219 M220	E213-T217 PolarHBondContact O-N 3.46Å; E213-T217 VanDerWaalsContact O-N 3.1Å; E213-T217 PolarHBondContact O-OG1 3.37Å; Y214-T217 WeakPolarHBondContact O-CB 3.44Å; Y214-T217 PolarHBondContact O-N 3.38Å; Q215-T217 PolarHBondContact O-N 3.29Å; T217-M219 PolarHBondContact O-N 2.93Å; T217-M220 PolarHBondContact O-N 2.71Å; T217-M220 VanDerWaalsContact O-N 3.14Å
218	W	67.2	Low	56.7	Low	172 Å²	172	121.5 Å²	121.5	65%	0.652	64%	0.639	S	S	*	*	H	α-helix	trans	-66.4	-20.2	173.7	-63.4	91.1	0	0	0	113.6	Y214 Q215	Y214-W218 AromaticContact CD1-NE1 3.92Å; Y214-W218 AromaticContact CE1-NE1 3.38Å; Y214-W218 AromaticContact CE2-NE1 3.74Å; Y214-W218 AromaticContact CZ-NE1 3.29Å; Y214-W218 VanDerWaalsContact CZ-NE1 3.29Å; Q215-W218 PolarHBondContact O-N 3.11Å; Q215-W218 VanDerWaalsContact O-N 3.15Å
219	M	66.2	Low	55	Low	87 Å²	87	123.8 Å²	123.8	43%	0.429	65%	0.652	S	S	.	*	H	α-helix	trans	-86.3	-15.5	175	-63.9	177.2	-3	0	0	112.9	P208 T211 Q215 A216 T217	P208-M219 HydrophobicContact CG-CE 4.06Å; T211-M219 HydrophobicContact CG2-CE 3.76Å; T211-M219 HydrophobicContact CG2-SD 3.73Å; Q215-M219 WeakPolarHBondContact O-CG 2.98Å; Q215-M219 PolarHBondContact O-N 3.11Å; A216-M219 PolarHBondContact O-N 3.45Å; T217-M219 PolarHBondContact O-N 2.93Å
220	M	54	Low	53.3	Low	126 Å²	126	120.6 Å²	120.6	62%	0.621	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-11.5	179.7	-82.1	-154.5	171.5	0	0	114.6	F207 A216 T217 L222	F207-M220 HydrophobicContact CE1-CE 3.54Å; F207-M220 HydrophobicContact CZ-CE 3.4Å; F207-M220 VanDerWaalsContact CZ-CE 3.4Å; A216-M220 PolarHBondContact O-N 3.1Å; A216-M220 VanDerWaalsContact O-N 3.16Å; T217-M220 PolarHBondContact O-N 2.71Å; T217-M220 VanDerWaalsContact O-N 3.14Å; M220-L222 PolarHBondContact O-N 3.11Å
221	D	53.5	Low	51.3	Low	136 Å²	136	125.6 Å²	125.6	73%	0.727	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	12.7	175.2	-69.5	-27.3	0	0	0	112.9
222	L	46.2	Very low	48.9	Very low	150 Å²	150	128.6 Å²	128.6	79%	0.785	67%	0.669	S	S	*	*	S	Bend	trans	-113.5	135.3	172.6	-68	174.5	0	0	0	110.8	M220	M220-L222 PolarHBondContact O-N 3.11Å
223	Q	34.8	Very low	46.6	Very low	181 Å²	181	133.7 Å²	133.7	85%	0.846	69%	0.687	S	S	*	*			trans	-75.9	145.5	-161.4	-148.5	161.7	-39.1	0	0	113.9
224	E	32.2	Very low	44.7	Very low	170 Å²	170	132.2 Å²	132.2	79%	0.794	68%	0.684	S	S	*	*			trans	13.5	122.3	163.5	-62.4	178.5	149.3	0	0	120
225	C	31.2	Very low	42.4	Very low	139 Å²	139	130.8 Å²	130.8	94%	0.939	69%	0.692	S	S	*	*				-168.5	145.2	126.9	-108.3	0	0	0	0	111.5
226	A	30.1	Very low	39.9	Very low	75 Å²	75	132 Å²	132	62%	0.62	71%	0.707	S	S	*	*			trans	-102.9	154	177.5	0	0	0	0	0	111.2
227	E	34.8	Very low	37.7	Very low	167 Å²	167	137.4 Å²	137.4	78%	0.78	74%	0.738	S	S	*	*				-175.5	179.1	129.2	-103.3	175.4	-169.9	0	0	112.6
228	N	27.8	Very low	35.7	Very low	140 Å²	140	138.9 Å²	138.9	75%	0.749	75%	0.747	S	S	*	*			trans	-88.6	174.8	-160.6	-52.5	-68.8	0	0	0	112.7
229	T	29.6	Very low	33.7	Very low	128 Å²	128	137.9 Å²	137.9	79%	0.785	75%	0.752	S	S	*	*				-172.2	174.7	70.5	-46.1	0	0	0	0	111.5
230	L	29	Very low	31.6	Very low	152 Å²	152	142.4 Å²	142.4	80%	0.796	77%	0.77	S	S	*	*			trans	-54.6	160.7	-177.2	-70.6	81.6	0	0	0	114.7
231	E	30.6	Very low	30.4	Very low	187 Å²	187	144.1 Å²	144.1	87%	0.874	78%	0.78	S	S	*	*				-165.2	168.1	75.5	-87.8	177.5	178.7	0	0	115.3
232	S	28.6	Very low	29.2	Very low	104 Å²	104	144.4 Å²	144.4	73%	0.727	78%	0.78	S	S	*	*			trans	-79.5	172.6	-179.9	46.7	0	0	0	0	112.4
233	E	29.5	Very low	28.2	Very low	160 Å²	160	143.3 Å²	143.3	75%	0.748	78%	0.784	S	S	*	*			cis	-157.8	154.6	44.6	-68.2	-172.1	148.2	0	0	115.1
234	N	26	Very low	28	Very low	137 Å²	137	140.7 Å²	140.7	73%	0.733	78%	0.779	S	S	*	*			trans	28	132	137.8	-52.1	-37.6	0	0	0	121.9
235	V	27	Very low	27.9	Very low	134 Å²	134	137.8 Å²	137.8	81%	0.812	78%	0.775	S	S	*	*				-165.4	135.8	106.5	145.3	0	0	0	0	109.3
236	V	23.5	Very low	28.3	Very low	128 Å²	128	138.7 Å²	138.7	78%	0.776	77%	0.769	S	S	*	*			trans	-108.5	129.1	175.3	175	0	0	0	0	109.4	V238	V236-V238 HydrophobicContact CG1-CG2 4.06Å
237	T	24.1	Very low	28.4	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	77%	0.773	S	S	*	*			trans	-101.9	116.3	166.6	26.8	0	0	0	0	110.6
238	V	23.5	Very low	28.4	Very low	117 Å²	117	140.1 Å²	140.1	71%	0.709	78%	0.779	S	S	*	*			trans	-95.2	124.4	172.9	180	0	0	0	0	108.4	V236	V236-V238 HydrophobicContact CG1-CG2 4.06Å
239	I	26.1	Very low	28.9	Very low	150 Å²	150	138.3 Å²	138.3	77%	0.769	77%	0.772	S	S	*	*			trans	-108.4	122.2	172.1	-64.2	179.4	0	0	0	109.1
240	F	22.1	Very low	29.3	Very low	182 Å²	182	139.2 Å²	139.2	80%	0.798	77%	0.77	S	S	*	*			trans	-65.6	139.7	172.8	-77.1	-109.3	0	0	0	111
241	I	27.4	Very low	29.9	Very low	163 Å²	163	139.1 Å²	139.1	84%	0.836	77%	0.77	S	S	*	*			trans	-126	130.1	153.8	-62.5	-176.9	0	0	0	108.4
242	I	28.2	Very low	30.5	Very low	142 Å²	142	135.2 Å²	135.2	73%	0.728	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-82.1	134.9	-166.3	-66.7	157.9	0	0	0	110.6	V244	I242-V244 PolarHBondContact O-N 3.09Å
243	C	25.7	Very low	31.8	Very low	127 Å²	127	132.1 Å²	132.1	86%	0.858	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-67.1	120.4	165.4	-82.6	0	0	0	0	110.5
244	V	31.5	Very low	33.1	Very low	125 Å²	125	126.4 Å²	126.4	76%	0.758	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-96.4	132.8	164.1	-177.4	0	0	0	0	108	I242	I242-V244 PolarHBondContact O-N 3.09Å
245	P	30.5	Very low	34.7	Very low	109 Å²	109	121.4 Å²	121.4	71%	0.708	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-72.2	131.5	-177.3	28.6	-34.4	0	0	0	112.5
246	I	38.4	Very low	36.7	Very low	158 Å²	158	119.7 Å²	119.7	81%	0.81	68%	0.683	S	S	*	*				29.2	144.3	121.2	-65.9	164.3	0	0	0	118.6
247	S	32.5	Very low	39.2	Very low	100 Å²	100	120.1 Å²	120.1	70%	0.699	67%	0.674	S	S	*	*			trans	73.6	71.7	164.2	66.8	0	0	0	0	119.4
248	L	34.8	Very low	41.7	Very low	173 Å²	173	121.3 Å²	121.3	91%	0.906	67%	0.665	S	S	*	*	S	Bend	trans	-159.9	-6.1	132.5	-138.3	77.2	0	0	0	115.3
249	V	39.1	Very low	44.5	Very low	101 Å²	101	121.6 Å²	121.6	61%	0.612	66%	0.661	S	S	*	*			trans	-101.1	6.8	-162.3	-174.6	0	0	0	0	114.4	N251 T253	V249-N251 PolarHBondContact O-N 3.02Å; V249-T253 HydrophobicContact CG1-CG2 3.7Å; V249-T253 WeakPolarHBondContact O-CG2 3.33Å; V249-T253 PolarHBondContact O-OG1 3.17Å
250	M	37.2	Very low	47.4	Very low	148 Å²	148	116.4 Å²	116.4	73%	0.729	64%	0.641	S	S	*	*	H	α-helix	trans	-69.2	-32.9	-169.2	-71.5	-90.1	83.6	0	0	115.4	T253 A254	M250-T253 PolarHBondContact O-OG1 3.48Å; M250-A254 WeakPolarHBondContact O-CB 3.4Å; M250-A254 PolarHBondContact O-N 3.42Å
251	N	42.2	Very low	50.5	Low	150 Å²	150	110.1 Å²	110.1	80%	0.802	61%	0.612	S	S	*	*	H	α-helix	trans	-80.1	-39	-174.7	-82.1	-22.9	0	0	0	114	V249	V249-N251 PolarHBondContact O-N 3.02Å
252	V	43.2	Very low	53.4	Low	105 Å²	105	104.4 Å²	104.4	64%	0.636	59%	0.585	S	S	*	*	H	α-helix	trans	-72.6	-40	179.3	-178.8	0	0	0	0	111.1	A254 G255 N256	V252-A254 PolarHBondContact O-N 3.28Å; V252-G255 PolarHBondContact O-N 3.05Å; V252-N256 PolarHBondContact O-N 3.3Å; V252-N256 VanDerWaalsContact O-N 3.13Å
253	T	54.5	Low	56.5	Low	39 Å²	39	106 Å²	106	24%	0.239	58%	0.581	C	S	.	*	H	α-helix	trans	-62.7	-43.5	178.3	47.2	0	0	0	0	112.3	V249 M250 G255 N256 F257	V249-T253 HydrophobicContact CG1-CG2 3.7Å; V249-T253 WeakPolarHBondContact O-CG2 3.33Å; V249-T253 PolarHBondContact O-OG1 3.17Å; M250-T253 PolarHBondContact O-OG1 3.48Å; T253-G255 VanDerWaalsContact C-N 3.25Å; T253-G255 PolarHBondContact O-N 3.17Å; T253-N256 PolarHBondContact O-N 2.94Å; T253-N256 VanDerWaalsContact O-N 3.15Å; T253-F257 WeakPolarHBondContact O-CD2 3.41Å; T253-F257 WeakPolarHBondContact O-CG 3.47Å; T253-F257 PolarHBondContact O-N 3.28Å
254	A	57.4	Low	59.6	Low	39 Å²	39	103.2 Å²	103.2	32%	0.322	56%	0.556	S	S	.	*	H	α-helix	trans	-58.4	-35.2	176.3	0	0	0	0	0	113.2	M250 V252 R258	M250-A254 WeakPolarHBondContact O-CB 3.4Å; M250-A254 PolarHBondContact O-N 3.42Å; V252-A254 PolarHBondContact O-N 3.28Å; A254-R258 WeakPolarHBondContact O-CG 3.49Å; A254-R258 PolarHBondContact O-N 2.92Å
255	G	60.3	Low	62.5	Low	32 Å²	32	97.9 Å²	97.9	33%	0.33	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-51.2	172.3	0	0	0	0	0	112.2	V252 T253 F257 R258 L259	V252-G255 PolarHBondContact O-N 3.05Å; T253-G255 VanDerWaalsContact C-N 3.25Å; T253-G255 PolarHBondContact O-N 3.17Å; G255-F257 PolarHBondContact O-N 3.11Å; G255-R258 WeakPolarHBondContact O-CB 3.34Å; G255-R258 PolarHBondContact O-N 2.87Å; G255-R258 VanDerWaalsContact O-N 3.11Å; G255-L259 PolarHBondContact O-N 3.2Å; G255-L259 VanDerWaalsContact O-N 3.08Å
256	N	69	Low	65.4	Low	99 Å²	99	100.7 Å²	100.7	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-41.6	179.7	-70.7	-11.5	0	0	0	112.4	V252 T253 R258 L259 A260	V252-N256 PolarHBondContact O-N 3.3Å; V252-N256 VanDerWaalsContact O-N 3.13Å; T253-N256 PolarHBondContact O-N 2.94Å; T253-N256 VanDerWaalsContact O-N 3.15Å; N256-R258 VanDerWaalsContact C-N 3.31Å; N256-R258 PolarHBondContact O-N 3.48Å; N256-L259 PolarHBondContact O-N 2.88Å; N256-A260 WeakPolarHBondContact O-CB 3.37Å; N256-A260 PolarHBondContact O-N 2.93Å
257	F	74.8	Confident	68.1	Low	137 Å²	137	97.8 Å²	97.8	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-62.9	-33.9	175.5	-71.3	-55.2	0	0	0	113.3	T253 G255 R261	T253-F257 WeakPolarHBondContact O-CD2 3.41Å; T253-F257 WeakPolarHBondContact O-CG 3.47Å; T253-F257 PolarHBondContact O-N 3.28Å; G255-F257 PolarHBondContact O-N 3.11Å; F257-R261 WeakPolarHBondContact O-CD 3.35Å; F257-R261 VanDerWaalsContact O-CG 3.31Å; F257-R261 WeakPolarHBondContact O-CG 3.32Å; F257-R261 PolarHBondContact O-N 2.96Å
258	R	76.8	Confident	70.9	Confident	152 Å²	152	94 Å²	94	57%	0.574	47%	0.474	S	S	*	.	H	α-helix	trans	-69.4	-45.8	175.1	-71.4	171	-174.5	-176	4.1	111.1	A254 G255 N256 R261 V262	A254-R258 WeakPolarHBondContact O-CG 3.49Å; A254-R258 PolarHBondContact O-N 2.92Å; G255-R258 WeakPolarHBondContact O-CB 3.34Å; G255-R258 PolarHBondContact O-N 2.87Å; G255-R258 VanDerWaalsContact O-N 3.11Å; N256-R258 VanDerWaalsContact C-N 3.31Å; N256-R258 PolarHBondContact O-N 3.48Å; R258-R261 PolarHBondContact O-N 2.83Å; R258-V262 WeakPolarHBondContact O-CG2 2.98Å; R258-V262 PolarHBondContact O-N 3.4Å; R258-V262 VanDerWaalsContact O-N 3.1Å
259	L	82.3	Confident	73.6	Confident	122 Å²	122	91.4 Å²	91.4	64%	0.639	46%	0.455	S	S	*	.	H	α-helix	trans	-63.9	-41	178.2	-68	174.4	0	0	0	112.1	G255 N256 V262 R263	G255-L259 PolarHBondContact O-N 3.2Å; G255-L259 VanDerWaalsContact O-N 3.08Å; N256-L259 PolarHBondContact O-N 2.88Å; L259-V262 PolarHBondContact O-N 2.8Å; L259-R263 PolarHBondContact O-N 2.92Å
260	A	87.2	Confident	76.2	Confident	42 Å²	42	92.5 Å²	92.5	35%	0.347	46%	0.457	S	S	.	.	H	α-helix	trans	-58.3	-49.2	174.2	0	0	0	0	0	111.6	N256 V262 R263 E264	N256-A260 WeakPolarHBondContact O-CB 3.37Å; N256-A260 PolarHBondContact O-N 2.93Å; A260-V262 VanDerWaalsContact C-N 3.29Å; A260-V262 PolarHBondContact O-N 3.42Å; A260-R263 WeakPolarHBondContact O-CA 3.03Å; A260-R263 WeakPolarHBondContact O-CB 3.49Å; A260-R263 PolarHBondContact O-N 2.93Å; A260-E264 WeakPolarHBondContact O-CG 3.39Å; A260-E264 PolarHBondContact O-N 2.99Å
261	R	87.8	Confident	78.8	Confident	50 Å²	50	91 Å²	91	19%	0.189	45%	0.447	C	S	.	.	H	α-helix	trans	-60.9	-34.2	176.7	-72.3	165.6	168	-112	-2.3	113.6	F257 R258 E265 P382 D387	F257-R261 WeakPolarHBondContact O-CD 3.35Å; F257-R261 VanDerWaalsContact O-CG 3.31Å; F257-R261 WeakPolarHBondContact O-CG 3.32Å; F257-R261 PolarHBondContact O-N 2.96Å; R258-R261 PolarHBondContact O-N 2.83Å; R261-E265 WeakPolarHBondContact O-CB 3.37Å; R261-E265 PolarHBondContact O-N 2.72Å; R261-P382 HydrophobicContact CB-CB 4.33Å; R261-P382 HydrophobicContact CB-CG 3.63Å; R261-D387 IonicContact CZ-OD1 3.76Å; R261-D387 IonicContact CZ-OD2 3.33Å; R261-D387 VanDerWaalsContact NH1-CG 3.35Å; R261-D387 IonicContact NH1-OD1 3.9Å; R261-D387 PolarHBondContact NH1-OD1 2.84Å; R261-D387 IonicContact NH1-OD2 3.89Å; R261-D387 PolarHBondContact NH1-OD2 2.62Å; R261-D387 IonicContact NH2-OD1 3.2Å; R261-D387 PolarHBondContact NH2-OD1 3.25Å; R261-D387 IonicContact NH2-OD2 2.72Å
262	V	89	Confident	81.1	Confident	43 Å²	43	86.5 Å²	86.5	26%	0.261	43%	0.426	S	S	.	.	H	α-helix	trans	-69.7	-35.2	174.7	171.7	0	0	0	0	110.8	R258 L259 A260 R266 P382	R258-V262 WeakPolarHBondContact O-CG2 2.98Å; R258-V262 PolarHBondContact O-N 3.4Å; R258-V262 VanDerWaalsContact O-N 3.1Å; L259-V262 PolarHBondContact O-N 2.8Å; A260-V262 VanDerWaalsContact C-N 3.29Å; A260-V262 PolarHBondContact O-N 3.42Å; V262-R266 VanDerWaalsContact O-CG 3.24Å; V262-R266 WeakPolarHBondContact O-CG 3.39Å; V262-R266 PolarHBondContact O-N 2.76Å; V262-R266 VanDerWaalsContact O-N 3.16Å; V262-P382 HydrophobicContact CG2-CG 3.77Å
263	R	92.1	Very high	83.5	Confident	174 Å²	174	81.6 Å²	81.6	66%	0.657	40%	0.396	S	S	*	.	H	α-helix	trans	-66.4	-50.5	172.4	-169.9	-173.6	-66	-175.8	-1.6	111.1	L259 A260 E265 R266 E267	L259-R263 PolarHBondContact O-N 2.92Å; A260-R263 WeakPolarHBondContact O-CA 3.03Å; A260-R263 WeakPolarHBondContact O-CB 3.49Å; A260-R263 PolarHBondContact O-N 2.93Å; R263-E265 VanDerWaalsContact C-N 3.29Å; R263-E265 PolarHBondContact O-N 2.71Å; R263-R266 WeakPolarHBondContact O-CB 3.45Å; R263-R266 PolarHBondContact O-N 2.82Å; R263-E267 VanDerWaalsContact CD-OE1 3.3Å; R263-E267 WeakPolarHBondContact CD-OE1 3.23Å; R263-E267 HydrophobicContact CG-CG 4.4Å; R263-E267 VanDerWaalsContact CG-OE1 3.22Å; R263-E267 WeakPolarHBondContact CG-OE1 3.29Å; R263-E267 WeakPolarHBondContact O-CG 3.27Å; R263-E267 PolarHBondContact O-N 3.13Å
264	E	91.2	Very high	85.4	Confident	69 Å²	69	82.4 Å²	82.4	32%	0.322	40%	0.397	S	S	.	.	H	α-helix	trans	-54.9	-41.4	176.7	-66.4	169.7	-165.8	0	0	112	A260 E267 D268 R384 F418	A260-E264 WeakPolarHBondContact O-CG 3.39Å; A260-E264 PolarHBondContact O-N 2.99Å; E264-E267 PolarHBondContact O-N 2.9Å; E264-D268 WeakPolarHBondContact O-CB 3.09Å; E264-D268 PolarHBondContact O-N 2.98Å; E264-R384 VanDerWaalsContact CD-NH1 3.31Å; E264-R384 IonicContact OE1-NH1 2.74Å; E264-R384 PolarHBondContact OE1-NH1 2.88Å; E264-R384 VanDerWaalsContact OE2-CD 3.25Å; E264-R384 WeakPolarHBondContact OE2-CD 3.34Å; E264-R384 IonicContact OE2-CZ 3.87Å; E264-R384 IonicContact OE2-NE 2.73Å; E264-R384 IonicContact OE2-NH1 3.91Å; E264-R384 PolarHBondContact OE2-NH1 2.72Å; E264-F418 HydrophobicContact CB-CE2 4.35Å; E264-F418 HydrophobicContact CB-CZ 3.64Å
265	E	91.4	Very high	87.1	Confident	14 Å²	14	82.8 Å²	82.8	7%	0.065	39%	0.393	C	S	.	.	H	α-helix	trans	-67.6	-39.1	177.1	-169.8	-168.8	-175.1	0	0	112.2	R261 R263 K269 P382 F418	R261-E265 WeakPolarHBondContact O-CB 3.37Å; R261-E265 PolarHBondContact O-N 2.72Å; R263-E265 VanDerWaalsContact C-N 3.29Å; R263-E265 PolarHBondContact O-N 2.71Å; E265-K269 VanDerWaalsContact CD-NZ 3.27Å; E265-K269 HydrophobicContact CG-CD 4.18Å; E265-K269 WeakPolarHBondContact O-CB 3.38Å; E265-K269 VanDerWaalsContact O-CG 3.27Å; E265-K269 WeakPolarHBondContact O-CG 3.27Å; E265-K269 PolarHBondContact O-N 3.13Å; E265-K269 WeakPolarHBondContact OE1-CE 3.38Å; E265-K269 IonicContact OE1-NZ 3.41Å; E265-K269 PolarHBondContact OE1-NZ 3.04Å; E265-K269 IonicContact OE2-NZ 3.36Å; E265-P382 HydrophobicContact CB-CB 4.26Å; E265-P382 WeakPolarHBondContact OE2-CB 3.43Å; E265-F418 HydrophobicContact CB-CD1 3.88Å; E265-F418 HydrophobicContact CB-CD2 4.39Å; E265-F418 HydrophobicContact CB-CE1 3.8Å; E265-F418 HydrophobicContact CB-CE2 4.36Å; E265-F418 HydrophobicContact CB-CG 4.19Å; E265-F418 HydrophobicContact CB-CZ 4.09Å; E265-F418 HydrophobicContact CG-CB 4.26Å; E265-F418 HydrophobicContact CG-CD1 3.93Å; E265-F418 HydrophobicContact CG-CD2 4.34Å; E265-F418 HydrophobicContact CG-CE1 4.37Å; E265-F418 HydrophobicContact CG-CG 3.92Å
266	R	93.4	Very high	88.5	Confident	167 Å²	167	87.7 Å²	87.7	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-66.5	-41.2	175.8	-72.5	169.9	-177.2	-167.5	1.2	111.3	V262 R263 K269 L270	V262-R266 VanDerWaalsContact O-CG 3.24Å; V262-R266 WeakPolarHBondContact O-CG 3.39Å; V262-R266 PolarHBondContact O-N 2.76Å; V262-R266 VanDerWaalsContact O-N 3.16Å; R263-R266 WeakPolarHBondContact O-CB 3.45Å; R263-R266 PolarHBondContact O-N 2.82Å; R266-K269 PolarHBondContact O-N 3.17Å; R266-L270 WeakPolarHBondContact O-CG 3.38Å; R266-L270 PolarHBondContact O-N 3.11Å; R266-L270 VanDerWaalsContact O-N 3.1Å
267	E	93	Very high	89.7	Confident	97 Å²	97	83.8 Å²	83.8	45%	0.453	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-45.4	175.4	-72.7	165.6	179.3	0	0	111	R263 E264 K269 L270 F271	R263-E267 VanDerWaalsContact CD-OE1 3.3Å; R263-E267 WeakPolarHBondContact CD-OE1 3.23Å; R263-E267 HydrophobicContact CG-CG 4.4Å; R263-E267 VanDerWaalsContact CG-OE1 3.22Å; R263-E267 WeakPolarHBondContact CG-OE1 3.29Å; R263-E267 WeakPolarHBondContact O-CG 3.27Å; R263-E267 PolarHBondContact O-N 3.13Å; E264-E267 PolarHBondContact O-N 2.9Å; E267-K269 VanDerWaalsContact C-N 3.35Å; E267-K269 PolarHBondContact O-N 2.91Å; E267-L270 PolarHBondContact O-N 3.39Å; E267-L270 VanDerWaalsContact O-N 3.13Å; E267-F271 PolarHBondContact O-N 3.01Å
268	D	92.1	Very high	90.4	Very high	20 Å²	20	78.5 Å²	78.5	11%	0.107	37%	0.371	C	S	.	.	H	α-helix	trans	-67.7	-31.3	176.8	-163.1	62.5	0	0	0	113.1	E264 L270 P272 R417 F418	E264-D268 WeakPolarHBondContact O-CB 3.09Å; E264-D268 PolarHBondContact O-N 2.98Å; D268-L270 VanDerWaalsContact C-N 3.33Å; D268-P272 VanDerWaalsContact O-CA 3.3Å; D268-P272 WeakPolarHBondContact O-CA 3.41Å; D268-R417 WeakPolarHBondContact OD1-CD 3.25Å; D268-R417 IonicContact OD1-CZ 2.71Å; D268-R417 IonicContact OD1-NE 2.74Å; D268-R417 PolarHBondContact OD1-NE 2.66Å; D268-R417 IonicContact OD1-NH1 3.58Å; D268-R417 PolarHBondContact OD1-NH1 2.86Å; D268-F418 HydrophobicContact CB-CD2 4.06Å; D268-F418 HydrophobicContact CB-CE2 3.98Å
269	K	91.8	Very high	91	Very high	119 Å²	119	74.6 Å²	74.6	52%	0.517	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-30.7	171.1	-80.3	167.6	170.9	165.1	0	112.5	E265 R266 E267 E421	E265-K269 VanDerWaalsContact CD-NZ 3.27Å; E265-K269 HydrophobicContact CG-CD 4.18Å; E265-K269 WeakPolarHBondContact O-CB 3.38Å; E265-K269 VanDerWaalsContact O-CG 3.27Å; E265-K269 WeakPolarHBondContact O-CG 3.27Å; E265-K269 PolarHBondContact O-N 3.13Å; E265-K269 WeakPolarHBondContact OE1-CE 3.38Å; E265-K269 IonicContact OE1-NZ 3.41Å; E265-K269 PolarHBondContact OE1-NZ 3.04Å; E265-K269 IonicContact OE2-NZ 3.36Å; R266-K269 PolarHBondContact O-N 3.17Å; E267-K269 VanDerWaalsContact C-N 3.35Å; E267-K269 PolarHBondContact O-N 2.91Å; K269-E421 IonicContact NZ-OE1 3.1Å; K269-E421 PolarHBondContact NZ-OE1 3.25Å
270	L	92.9	Very high	91.4	Very high	125 Å²	125	76.7 Å²	76.7	65%	0.654	38%	0.378	S	S	*	.	H	α-helix	trans	-87	-41.2	177.9	-70	169.7	0	0	0	112.8	R266 E267 D268 P272	R266-L270 WeakPolarHBondContact O-CG 3.38Å; R266-L270 PolarHBondContact O-N 3.11Å; R266-L270 VanDerWaalsContact O-N 3.1Å; E267-L270 PolarHBondContact O-N 3.39Å; E267-L270 VanDerWaalsContact O-N 3.13Å; D268-L270 VanDerWaalsContact C-N 3.33Å; L270-P272 WeakPolarHBondContact O-CD 3.42Å
271	F	92.2	Very high	91.6	Very high	115 Å²	115	77.4 Å²	77.4	50%	0.504	37%	0.374	S	S	.	.	S	Bend	trans	-128.1	70.4	-170.8	-56.1	-72	0	0	0	110.7	E267 D273 E274	E267-F271 PolarHBondContact O-N 3.01Å; F271-D273 PolarHBondContact O-N 2.59Å; F271-E274 HydrophobicContact CB-CB 4.14Å; F271-E274 HydrophobicContact CB-CG 4.36Å; F271-E274 PolarHBondContact O-N 2.68Å
272	P	91.6	Very high	91.9	Very high	57 Å²	57	76.6 Å²	76.6	37%	0.37	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	117.3	-166.2	27.1	-35.7	0	0	0	112.6	D268 L270 E274 R468	D268-P272 VanDerWaalsContact O-CA 3.3Å; D268-P272 WeakPolarHBondContact O-CA 3.41Å; L270-P272 WeakPolarHBondContact O-CD 3.42Å; P272-E274 VanDerWaalsContact C-N 3.26Å; P272-E274 PolarHBondContact O-N 2.91Å; P272-R468 PolarHBondContact O-NH2 3.11Å
273	D	93.4	Very high	92.2	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.005	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	5.2	-176	-53	-66.9	0	0	0	117.4	F271 K414 R417 R468 V470	F271-D273 PolarHBondContact O-N 2.59Å; D273-K414 IonicContact OD1-NZ 3.72Å; D273-K414 WeakPolarHBondContact OD2-CE 3.42Å; D273-K414 IonicContact OD2-NZ 2.72Å; D273-K414 PolarHBondContact OD2-NZ 2.82Å; D273-R417 PolarHBondContact O-NH2 3.03Å; D273-R417 VanDerWaalsContact O-NH2 3.14Å; D273-R417 IonicContact OD1-NE 3.53Å; D273-R468 HydrophobicContact CB-CB 4.21Å; D273-R468 HydrophobicContact CB-CG 4.29Å; D273-R468 IonicContact OD2-CZ 3.5Å; D273-R468 VanDerWaalsContact OD2-CZ 3.26Å; D273-R468 IonicContact OD2-NE 3.59Å; D273-R468 PolarHBondContact OD2-NE 3.26Å; D273-R468 IonicContact OD2-NH2 3.27Å; D273-R468 PolarHBondContact OD2-NH2 3.43Å; D273-V470 HydrophobicContact CB-CG2 4.09Å; D273-V470 PolarHBondContact O-N 3.09Å
274	E	94	Very high	92.3	Very high	56 Å²	56	70.5 Å²	70.5	26%	0.262	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-65.8	143.2	176.4	-66.3	179.3	-157.2	0	0	110.5	F271 P272 R417 V470	F271-E274 HydrophobicContact CB-CB 4.14Å; F271-E274 HydrophobicContact CB-CG 4.36Å; F271-E274 PolarHBondContact O-N 2.68Å; P272-E274 VanDerWaalsContact C-N 3.26Å; P272-E274 PolarHBondContact O-N 2.91Å; E274-R417 PolarHBondContact O-NH2 2.99Å; E274-R417 VanDerWaalsContact O-NH2 3.08Å; E274-V470 WeakPolarHBondContact CA-O 3.5Å; E274-V470 HydrophobicContact CG-CB 3.86Å; E274-V470 HydrophobicContact CG-CG1 3.91Å
275	I	92.3	Very high	92.5	Very high	48 Å²	48	71.8 Å²	71.8	25%	0.246	36%	0.356	C	S	.	.			trans	-149.5	127.8	177.2	-56.8	-173.5	0	0	0	108.1	R417 V469 V470	I275-R417 VanDerWaalsContact CG1-NH2 3.35Å; I275-V469 HydrophobicContact CB-CG1 4.03Å; I275-V469 HydrophobicContact CD1-CB 4.37Å; I275-V469 HydrophobicContact CD1-CG1 3.87Å; I275-V469 HydrophobicContact CD1-CG2 3.66Å; I275-V469 HydrophobicContact CG1-CG1 4.04Å; I275-V470 PolarHBondContact N-O 2.94Å; I275-V470 VanDerWaalsContact N-O 3.12Å
276	D	91.2	Very high	92.7	Very high	135 Å²	135	77 Å²	77	72%	0.722	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-66.9	136.7	172.2	-58.4	-41.8	0	0	0	111.3
277	T	92.3	Very high	92.8	Very high	16 Å²	16	69.3 Å²	69.3	10%	0.098	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-68.6	128.1	170.5	49.1	0	0	0	0	110	F287 L471 M488 F490	T277-F287 HydrophobicContact CG2-CE2 4.14Å; T277-L471 HydrophobicContact CG2-CD1 3.9Å; T277-L471 HydrophobicContact CG2-CD2 3.85Å; T277-L471 HydrophobicContact CG2-CG 4.3Å; T277-M488 WeakPolarHBondContact CG2-O 3.46Å; T277-M488 PolarHBondContact OG1-O 2.81Å; T277-F490 WeakPolarHBondContact O-CE2 3.34Å; T277-F490 WeakPolarHBondContact OG1-CE2 3.45Å
278	P	90.1	Very high	92.8	Very high	26 Å²	26	70.8 Å²	70.8	17%	0.169	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-66.7	138.9	174.2	27.8	-33.1	0	0	0	110.3	E281 R286	P278-E281 HydrophobicContact CB-CB 4.5Å; P278-E281 HydrophobicContact CG-CB 4.09Å; P278-R286 HydrophobicContact CG-CG 4.05Å
279	A	88.9	Confident	92.9	Very high	70 Å²	70	77 Å²	77	58%	0.579	38%	0.379	S	S	*	.	S	Bend	trans	-79.8	-21	175.1	0	0	0	0	0	113.3	F490	A279-F490 HydrophobicContact CB-CD2 3.96Å; A279-F490 HydrophobicContact CB-CE2 4.09Å; A279-F490 HydrophobicContact CB-CG 4.2Å; A279-F490 HydrophobicContact CB-CZ 4.44Å
280	H	91	Very high	93.1	Very high	167 Å²	167	73.4 Å²	73.4	77%	0.773	36%	0.362	S	S	*	.	S	Bend	trans	-89.2	-16.1	-176.4	61.8	-98.5	0	0	0	114.3
281	E	92.6	Very high	93.2	Very high	57 Å²	57	71.4 Å²	71.4	27%	0.266	35%	0.346	S	S	.	.	S	Bend	trans	-124.2	127.5	179.6	-175.4	-170.4	171	0	0	108	P278 A283 R286	P278-E281 HydrophobicContact CB-CB 4.5Å; P278-E281 HydrophobicContact CG-CB 4.09Å; E281-A283 PolarHBondContact O-N 3.43Å; E281-R286 HydrophobicContact CG-CB 4.35Å; E281-R286 WeakPolarHBondContact OE1-CA 3.16Å; E281-R286 PolarHBondContact OE1-N 3.19Å; E281-R286 WeakPolarHBondContact OE2-CD 3.41Å
282	P	94.2	Very high	93.3	Very high	33 Å²	33	68 Å²	68	21%	0.214	34%	0.337	C	S	.	.			trans	-63.5	133.8	178.9	27.7	-35.4	0	0	0	110.7	R284 I285 R286 D494	P282-R284 HydrophobicContact CB-CG 4.32Å; P282-R284 PolarHBondContact O-N 3.32Å; P282-R284 VanDerWaalsContact O-N 3.16Å; P282-I285 HydrophobicContact CG-CB 4.21Å; P282-I285 HydrophobicContact CG-CD1 3.63Å; P282-I285 HydrophobicContact CG-CG1 3.84Å; P282-I285 PolarHBondContact O-N 3.3Å; P282-R286 PolarHBondContact O-N 3.04Å; P282-R286 VanDerWaalsContact O-N 3.14Å; P282-D494 WeakPolarHBondContact CA-OD2 3.41Å
283	A	94.6	Very high	93.5	Very high	2 Å²	2	66.6 Å²	66.6	2%	0.017	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-31.5	-170.9	0	0	0	0	0	112.7	E281 I285 R286 F287 F489 D494 F498	E281-A283 PolarHBondContact O-N 3.43Å; A283-I285 VanDerWaalsContact C-N 3.28Å; A283-I285 PolarHBondContact O-N 3.17Å; A283-R286 PolarHBondContact O-N 3.03Å; A283-F287 HydrophobicContact CB-CD2 4.12Å; A283-F287 HydrophobicContact CB-CE2 4.3Å; A283-F287 VanDerWaalsContact O-CD2 3.25Å; A283-F287 WeakPolarHBondContact O-CD2 3.38Å; A283-F287 PolarHBondContact O-N 3.2Å; A283-F489 HydrophobicContact CB-CD1 3.67Å; A283-F489 HydrophobicContact CB-CE1 3.88Å; A283-D494 HydrophobicContact CB-CB 4.14Å; A283-D494 PolarHBondContact N-OD1 3.02Å; A283-D494 PolarHBondContact N-OD2 3.25Å; A283-F498 HydrophobicContact CB-CE2 3.94Å
284	R	93.4	Very high	93.4	Very high	86 Å²	86	74.3 Å²	74.3	33%	0.325	36%	0.36	S	S	.	.	H	α-helix	trans	-58.1	-35.9	173.4	70.8	-169.9	174.6	-167.7	-12.7	113.2	P282 Q288 D493 D494 W497	P282-R284 HydrophobicContact CB-CG 4.32Å; P282-R284 PolarHBondContact O-N 3.32Å; P282-R284 VanDerWaalsContact O-N 3.16Å; R284-Q288 WeakPolarHBondContact O-CA 3.34Å; R284-Q288 WeakPolarHBondContact O-CB 3.39Å; R284-Q288 PolarHBondContact O-N 3.48Å; R284-Q288 VanDerWaalsContact O-N 3.07Å; R284-D493 IonicContact CZ-OD2 2.73Å; R284-D493 VanDerWaalsContact NH1-CG 3.34Å; R284-D493 IonicContact NH1-OD2 2.66Å; R284-D493 PolarHBondContact NH1-OD2 2.74Å; R284-D493 IonicContact NH2-OD2 3.09Å; R284-D493 PolarHBondContact NH2-OD2 3.32Å; R284-D494 WeakPolarHBondContact CB-OD1 3.13Å; R284-D494 WeakPolarHBondContact CG-OD1 3.3Å; R284-D494 PolarHBondContact N-OD1 3.1Å; R284-W497 HydrophobicContact CB-CB 4.15Å; R284-W497 HydrophobicContact CB-CD2 3.79Å; R284-W497 HydrophobicContact CB-CE3 4.3Å; R284-W497 HydrophobicContact CB-CG 3.7Å
285	I	95.3	Very high	93.4	Very high	97 Å²	97	73.6 Å²	73.6	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-79.1	-50.1	177.2	-60.4	-175	0	0	0	109	P282 A283 F287 Q288	P282-I285 HydrophobicContact CG-CB 4.21Å; P282-I285 HydrophobicContact CG-CD1 3.63Å; P282-I285 HydrophobicContact CG-CG1 3.84Å; P282-I285 PolarHBondContact O-N 3.3Å; A283-I285 VanDerWaalsContact C-N 3.28Å; A283-I285 PolarHBondContact O-N 3.17Å; I285-F287 PolarHBondContact O-N 3.32Å; I285-F287 VanDerWaalsContact O-N 3.13Å; I285-Q288 WeakPolarHBondContact O-CB 3.38Å; I285-Q288 PolarHBondContact O-N 3Å; I285-Q288 VanDerWaalsContact O-N 3.14Å
286	R	95.3	Very high	93.5	Very high	124 Å²	124	73.6 Å²	73.6	47%	0.468	36%	0.359	S	S	.	.	H	α-helix	trans	-51.1	-41.6	179.1	-176.5	70.7	-168.9	120.1	-13.2	113	P278 E281 P282 A283	P278-R286 HydrophobicContact CG-CG 4.05Å; E281-R286 HydrophobicContact CG-CB 4.35Å; E281-R286 WeakPolarHBondContact OE1-CA 3.16Å; E281-R286 PolarHBondContact OE1-N 3.19Å; E281-R286 WeakPolarHBondContact OE2-CD 3.41Å; P282-R286 PolarHBondContact O-N 3.04Å; P282-R286 VanDerWaalsContact O-N 3.14Å; A283-R286 PolarHBondContact O-N 3.03Å
287	F	95.6	Very high	93.6	Very high	4 Å²	4	76.9 Å²	76.9	2%	0.018	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	17.6	-176.4	-52.9	-68.8	0	0	0	114	T277 A283 I285 K289 Y290 V469 L471 F498 L541	T277-F287 HydrophobicContact CG2-CE2 4.14Å; A283-F287 HydrophobicContact CB-CD2 4.12Å; A283-F287 HydrophobicContact CB-CE2 4.3Å; A283-F287 VanDerWaalsContact O-CD2 3.25Å; A283-F287 WeakPolarHBondContact O-CD2 3.38Å; A283-F287 PolarHBondContact O-N 3.2Å; I285-F287 PolarHBondContact O-N 3.32Å; I285-F287 VanDerWaalsContact O-N 3.13Å; F287-K289 PolarHBondContact O-N 3.34Å; F287-Y290 HydrophobicContact CB-CD2 3.9Å; F287-Y290 HydrophobicContact CB-CG 4.44Å; F287-Y290 HydrophobicContact CD1-CD2 4.03Å; F287-Y290 AromaticContact CD1-CE2 3.91Å; F287-Y290 HydrophobicContact CD1-CE2 3.91Å; F287-Y290 HydrophobicContact CG-CD2 4.49Å; F287-Y290 WeakPolarHBondContact O-CB 3.38Å; F287-Y290 WeakPolarHBondContact O-CD2 3.26Å; F287-Y290 PolarHBondContact O-N 3.1Å; F287-V469 HydrophobicContact CE1-CG1 3.96Å; F287-L471 HydrophobicContact CD2-CD1 4.19Å; F287-L471 HydrophobicContact CE1-CD2 4.29Å; F287-L471 HydrophobicContact CE2-CD1 4Å; F287-L471 HydrophobicContact CE2-CD2 3.83Å; F287-L471 HydrophobicContact CZ-CD2 3.63Å; F287-F498 HydrophobicContact CB-CZ 4.14Å; F287-L541 HydrophobicContact CB-CD1 3.92Å; F287-L541 HydrophobicContact CD1-CD1 4.47Å; F287-L541 HydrophobicContact CD2-CD1 4.42Å; F287-L541 HydrophobicContact CG-CD1 4.02Å
288	Q	93.8	Very high	93.7	Very high	129 Å²	129	81.8 Å²	81.8	60%	0.603	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-32.5	-178.2	-167.6	-169.6	32.4	0	0	114.2	R284 I285 Y290	R284-Q288 WeakPolarHBondContact O-CA 3.34Å; R284-Q288 WeakPolarHBondContact O-CB 3.39Å; R284-Q288 PolarHBondContact O-N 3.48Å; R284-Q288 VanDerWaalsContact O-N 3.07Å; I285-Q288 WeakPolarHBondContact O-CB 3.38Å; I285-Q288 PolarHBondContact O-N 3Å; I285-Q288 VanDerWaalsContact O-N 3.14Å; Q288-Y290 VanDerWaalsContact C-N 3.35Å
289	K	94.6	Very high	93.9	Very high	149 Å²	149	81.8 Å²	81.8	65%	0.648	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	12.7	-179	-61.6	-176.7	179.3	180	0	114.1	F287 K543	F287-K289 PolarHBondContact O-N 3.34Å; K289-K543 HydrophobicContact CB-CD 3.85Å; K289-K543 WeakPolarHBondContact O-CB 3.05Å; K289-K543 WeakPolarHBondContact O-CD 3.36Å; K289-K543 VanDerWaalsContact O-CG 3.26Å; K289-K543 WeakPolarHBondContact O-CG 3.44Å
290	Y	96.5	Very high	94.2	Very high	44 Å²	44	86 Å²	86	17%	0.173	40%	0.397	C	S	.	.			trans	-112.1	150.5	177.8	-66.2	-105.4	0	0	0	110.8	F287 Q288 V469 L541 Y542 K543	F287-Y290 HydrophobicContact CB-CD2 3.9Å; F287-Y290 HydrophobicContact CB-CG 4.44Å; F287-Y290 HydrophobicContact CD1-CD2 4.03Å; F287-Y290 AromaticContact CD1-CE2 3.91Å; F287-Y290 HydrophobicContact CD1-CE2 3.91Å; F287-Y290 HydrophobicContact CG-CD2 4.49Å; F287-Y290 WeakPolarHBondContact O-CB 3.38Å; F287-Y290 WeakPolarHBondContact O-CD2 3.26Å; F287-Y290 PolarHBondContact O-N 3.1Å; Q288-Y290 VanDerWaalsContact C-N 3.35Å; Y290-V469 HydrophobicContact CD1-CG2 4.43Å; Y290-V469 HydrophobicContact CE1-CB 4.11Å; Y290-V469 HydrophobicContact CE1-CG2 3.52Å; Y290-L541 HydrophobicContact CD1-CB 4.01Å; Y290-L541 HydrophobicContact CG-CB 4.27Å; Y290-Y542 CarbonylContact C-O 3.6Å; Y290-Y542 WeakPolarHBondContact CA-O 3.36Å; Y290-K543 HydrophobicContact CD1-CB 3.36Å; Y290-K543 HydrophobicContact CD2-CB 4.2Å; Y290-K543 HydrophobicContact CD2-CD 4.19Å; Y290-K543 HydrophobicContact CE1-CB 3.47Å; Y290-K543 VanDerWaalsContact CE1-CB 3.47Å; Y290-K543 HydrophobicContact CE1-CD 4.4Å; Y290-K543 HydrophobicContact CE2-CB 4.33Å; Y290-K543 HydrophobicContact CE2-CD 3.94Å; Y290-K543 HydrophobicContact CG-CB 3.74Å
291	R	94.6	Very high	94.4	Very high	83 Å²	83	78.5 Å²	78.5	31%	0.313	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.9	168.5	60	173.9	170.6	-134.7	7.6	110.9	W301 E305 Y542	R291-W301 HydrophobicContact CG-CH2 3.76Å; R291-W301 HydrophobicContact CG-CZ3 3.67Å; R291-E305 IonicContact CZ-OE1 3.62Å; R291-E305 IonicContact CZ-OE2 3.7Å; R291-E305 IonicContact NH1-OE1 3.43Å; R291-E305 PolarHBondContact NH1-OE1 3.2Å; R291-E305 IonicContact NH1-OE2 2.76Å; R291-E305 PolarHBondContact NH1-OE2 3.42Å; R291-E305 IonicContact NH2-OE1 2.68Å; R291-E305 IonicContact NH2-OE2 3.98Å; R291-E305 PolarHBondContact NH2-OE2 3.19Å; R291-Y542 PolarHBondContact N-O 2.78Å; R291-Y542 PolarHBondContact O-N 2.79Å
292	S	94.9	Very high	94.5	Very high	44 Å²	44	78.6 Å²	78.6	31%	0.308	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	158.5	167.3	60.9	0	0	0	0	110.7	V501	S292-V501 VanDerWaalsContact CB-CG1 3.46Å
293	L	94.9	Very high	94.5	Very high	27 Å²	27	78.8 Å²	78.8	14%	0.141	37%	0.366	C	S	.	.			trans	-131.7	127.6	169.4	-62.8	174.5	0	0	0	107.9	S295 F296 W301 L466 Y542	L293-S295 PolarHBondContact O-N 3.15Å; L293-F296 HydrophobicContact CD1-CD2 4.27Å; L293-W301 HydrophobicContact CD1-CE3 4.14Å; L293-W301 HydrophobicContact CD1-CZ3 4.34Å; L293-W301 HydrophobicContact CD2-CE3 4.08Å; L293-W301 HydrophobicContact CD2-CZ3 4.3Å; L293-L466 HydrophobicContact CD1-CD1 4.03Å; L293-Y542 HydrophobicContact CB-CD2 3.95Å; L293-Y542 HydrophobicContact CB-CE2 4.17Å; L293-Y542 HydrophobicContact CD1-CD1 4.44Å; L293-Y542 HydrophobicContact CD1-CD2 3.78Å; L293-Y542 HydrophobicContact CD1-CE2 4.37Å; L293-Y542 HydrophobicContact CD1-CG 3.82Å; L293-Y542 HydrophobicContact CG-CD2 3.78Å; L293-Y542 HydrophobicContact CG-CE2 4.45Å; L293-Y542 HydrophobicContact CG-CG 4.22Å
294	K	92.2	Very high	94.4	Very high	164 Å²	164	85.9 Å²	85.9	71%	0.713	40%	0.396	S	S	*	.	S	Bend	trans	-58.7	-32.8	176.5	-175.3	172.9	-174.9	173.9	0	112.2	S299	K294-S299 PolarHBondContact N-OG 3.45Å
295	S	93	Very high	94.4	Very high	41 Å²	41	84.3 Å²	84.3	29%	0.287	39%	0.393	S	S	.	.			trans	-153.6	124.7	172.4	163.4	0	0	0	0	109.6	L293 R297 T298 S299	L293-S295 PolarHBondContact O-N 3.15Å; S295-R297 PolarHBondContact O-N 3.02Å; S295-R297 VanDerWaalsContact O-N 3.09Å; S295-R297 PolarHBondContact OG-N 3.48Å; S295-T298 VanDerWaalsContact CB-OG1 3.22Å; S295-T298 WeakPolarHBondContact CB-OG1 3.42Å; S295-T298 PolarHBondContact O-N 3.4Å; S295-T298 PolarHBondContact OG-N 3.4Å; S295-T298 PolarHBondContact OG-OG1 3.36Å; S295-S299 PolarHBondContact N-OG 3.46Å; S295-S299 VanDerWaalsContact O-CB 3.28Å; S295-S299 WeakPolarHBondContact O-CB 3.44Å; S295-S299 PolarHBondContact O-N 3.11Å; S295-S299 PolarHBondContact O-OG 3.01Å
296	F	94.1	Very high	94.2	Very high	48 Å²	48	85.6 Å²	85.6	21%	0.211	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.2	178.1	-173	-95	0	0	0	113.3	L293 K412 K414 L466 Y542	L293-F296 HydrophobicContact CD1-CD2 4.27Å; F296-K412 HydrophobicContact CE1-CB 4.21Å; F296-K412 HydrophobicContact CE2-CB 4.47Å; F296-K412 HydrophobicContact CZ-CB 3.95Å; F296-K412 WeakPolarHBondContact O-CE 3.38Å; F296-K414 HydrophobicContact CE1-CB 4.47Å; F296-K414 HydrophobicContact CZ-CB 4.07Å; F296-L466 HydrophobicContact CD2-CD1 4.48Å; F296-L466 HydrophobicContact CE2-CB 4.03Å; F296-L466 HydrophobicContact CE2-CD1 3.76Å; F296-L466 HydrophobicContact CE2-CG 4.41Å; F296-L466 HydrophobicContact CZ-CB 4.49Å; F296-L466 HydrophobicContact CZ-CD1 4.4Å; F296-Y542 AromaticContact CD2-CD1 3.78Å; F296-Y542 HydrophobicContact CD2-CD1 3.78Å; F296-Y542 AromaticContact CD2-CE1 3.34Å; F296-Y542 HydrophobicContact CD2-CE1 3.34Å; F296-Y542 AromaticContact CD2-CZ 3.85Å; F296-Y542 AromaticContact CE2-CD1 3.86Å; F296-Y542 HydrophobicContact CE2-CD1 3.86Å; F296-Y542 AromaticContact CE2-CE1 3.74Å; F296-Y542 HydrophobicContact CE2-CE1 3.74Å; F296-Y542 HydrophobicContact CG-CE1 4.36Å
297	R	93.3	Very high	94.1	Very high	204 Å²	204	83 Å²	83	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-51.2	176.8	-76.7	-179.2	159.1	120.5	-4.1	112.2	S295 K412	S295-R297 PolarHBondContact O-N 3.02Å; S295-R297 VanDerWaalsContact O-N 3.09Å; S295-R297 PolarHBondContact OG-N 3.48Å; R297-K412 PolarHBondContact O-NZ 2.88Å; R297-K412 VanDerWaalsContact O-NZ 3.11Å
298	T	94.3	Very high	94	Very high	118 Å²	118	84.7 Å²	84.7	72%	0.724	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-21.2	-166	59.1	0	0	0	0	114.8	S295 F300	S295-T298 VanDerWaalsContact CB-OG1 3.22Å; S295-T298 WeakPolarHBondContact CB-OG1 3.42Å; S295-T298 PolarHBondContact O-N 3.4Å; S295-T298 PolarHBondContact OG-N 3.4Å; S295-T298 PolarHBondContact OG-OG1 3.36Å; T298-F300 PolarHBondContact O-N 3.07Å
299	S	94.7	Very high	94	Very high	27 Å²	27	88.8 Å²	88.8	19%	0.189	42%	0.417	C	S	.	.	S	Bend	trans	-69.3	127.6	177.1	-65	0	0	0	0	110.6	K294 S295 K412	K294-S299 PolarHBondContact N-OG 3.45Å; S295-S299 PolarHBondContact N-OG 3.46Å; S295-S299 VanDerWaalsContact O-CB 3.28Å; S295-S299 WeakPolarHBondContact O-CB 3.44Å; S295-S299 PolarHBondContact O-N 3.11Å; S295-S299 PolarHBondContact O-OG 3.01Å; S299-K412 WeakPolarHBondContact O-CE 3.46Å; S299-K412 PolarHBondContact O-NZ 3.48Å
300	F	95.1	Very high	93.9	Very high	157 Å²	157	83.7 Å²	83.7	69%	0.689	40%	0.397	S	S	*	.			trans	-64.1	147.8	177	177.4	-109.3	0	0	0	111.9	T298 D302	T298-F300 PolarHBondContact O-N 3.07Å; F300-D302 HydrophobicContact CE1-CB 3.88Å; F300-D302 HydrophobicContact CZ-CB 4.02Å
301	W	95.4	Very high	93.7	Very high	11 Å²	11	82.2 Å²	82.2	4%	0.042	39%	0.391	C	S	.	.			trans	-141	121.3	169.2	-169.9	-58.8	0	0	0	108.3	R291 L293 P303 K412 V464 L466 R544	R291-W301 HydrophobicContact CG-CH2 3.76Å; R291-W301 HydrophobicContact CG-CZ3 3.67Å; L293-W301 HydrophobicContact CD1-CE3 4.14Å; L293-W301 HydrophobicContact CD1-CZ3 4.34Å; L293-W301 HydrophobicContact CD2-CE3 4.08Å; L293-W301 HydrophobicContact CD2-CZ3 4.3Å; W301-P303 WeakPolarHBondContact O-CD 3.4Å; W301-K412 HydrophobicContact CB-CD 3.84Å; W301-K412 HydrophobicContact CB-CG 4.17Å; W301-V464 HydrophobicContact CB-CG1 4.34Å; W301-V464 HydrophobicContact CD2-CG1 4.38Å; W301-V464 HydrophobicContact CG-CG1 3.83Å; W301-L466 HydrophobicContact CD2-CD1 4.09Å; W301-L466 HydrophobicContact CD2-CD2 3.64Å; W301-L466 HydrophobicContact CE3-CD1 3.59Å; W301-L466 HydrophobicContact CE3-CD2 3.7Å; W301-L466 HydrophobicContact CE3-CG 4.33Å; W301-L466 HydrophobicContact CG-CD2 4.38Å; W301-L466 HydrophobicContact CH2-CD2 3.93Å; W301-L466 HydrophobicContact CZ2-CD2 3.86Å; W301-L466 HydrophobicContact CZ3-CD1 4.04Å; W301-L466 HydrophobicContact CZ3-CD2 3.83Å; W301-R544 HydrophobicContact CZ2-CB 3.74Å
302	D	95.2	Very high	93.6	Very high	58 Å²	58	85.4 Å²	85.4	31%	0.31	41%	0.413	S	S	.	.			trans	-70.7	122.2	-178.8	171.8	25.4	0	0	0	112	F300 K304 E305	F300-D302 HydrophobicContact CE1-CB 3.88Å; F300-D302 HydrophobicContact CZ-CB 4.02Å; D302-K304 PolarHBondContact O-N 3.03Å; D302-K304 PolarHBondContact OD1-N 3.05Å; D302-E305 HydrophobicContact CB-CB 4.07Å; D302-E305 PolarHBondContact O-N 3.36Å; D302-E305 PolarHBondContact OD2-N 3.42Å
303	P	94.1	Very high	93.4	Very high	38 Å²	38	91.4 Å²	91.4	25%	0.247	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12	173.6	-23.3	35.8	0	0	0	115.4	W301 D462 V464 R544	W301-P303 WeakPolarHBondContact O-CD 3.4Å; P303-D462 HydrophobicContact CB-CB 4.04Å; P303-V464 HydrophobicContact CB-CG2 4.15Å; P303-V464 HydrophobicContact CG-CG2 3.96Å; P303-R544 PolarHBondContact O-NH1 3.19Å; P303-R544 PolarHBondContact O-NH2 3.45Å
304	K	92.8	Very high	93.4	Very high	150 Å²	150	90.6 Å²	90.6	65%	0.652	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-0.7	179.3	-63.8	-178.8	-177.4	176.1	0	114	D302 L307	D302-K304 PolarHBondContact O-N 3.03Å; D302-K304 PolarHBondContact OD1-N 3.05Å; K304-L307 WeakPolarHBondContact O-CG 3.41Å
305	E	92.9	Very high	93.4	Very high	53 Å²	53	84.6 Å²	84.6	25%	0.248	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	134.3	176.6	-160.6	-161.7	134.2	0	0	112	R291 D302 L307 R544	R291-E305 IonicContact CZ-OE1 3.62Å; R291-E305 IonicContact CZ-OE2 3.7Å; R291-E305 IonicContact NH1-OE1 3.43Å; R291-E305 PolarHBondContact NH1-OE1 3.2Å; R291-E305 IonicContact NH1-OE2 2.76Å; R291-E305 PolarHBondContact NH1-OE2 3.42Å; R291-E305 IonicContact NH2-OE1 2.68Å; R291-E305 IonicContact NH2-OE2 3.98Å; R291-E305 PolarHBondContact NH2-OE2 3.19Å; D302-E305 HydrophobicContact CB-CB 4.07Å; D302-E305 PolarHBondContact O-N 3.36Å; D302-E305 PolarHBondContact OD2-N 3.42Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.35Å; E305-R544 PolarHBondContact O-NH1 3.35Å
306	N	91.5	Very high	93.4	Very high	125 Å²	125	87.3 Å²	87.3	67%	0.668	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	36.9	169.6	-72.9	-54.8	0	0	0	115	F546	N306-F546 WeakPolarHBondContact O-CE2 3.37Å; N306-F546 WeakPolarHBondContact O-CZ 3.42Å
307	L	92.5	Very high	93.2	Very high	70 Å²	70	86.8 Å²	86.8	37%	0.366	41%	0.407	S	S	.	.			trans	-64.9	137.7	179.3	-64.7	178.4	0	0	0	112.5	K304 E305 Y311 F546	K304-L307 WeakPolarHBondContact O-CG 3.41Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.35Å; L307-Y311 HydrophobicContact CD1-CD1 4.43Å; L307-Y311 HydrophobicContact CD2-CD1 3.77Å; L307-Y311 HydrophobicContact CD2-CE1 3.93Å; L307-Y311 HydrophobicContact CD2-CG 4.25Å; L307-F546 HydrophobicContact CD2-CE1 3.76Å; L307-F546 HydrophobicContact CD2-CZ 4.08Å
308	P	93.7	Very high	93.1	Very high	39 Å²	39	87.8 Å²	87.8	25%	0.253	42%	0.417	S	S	.	.			trans	-78.5	158.4	175.5	33.7	-34.9	0	0	0	111.5	D310 Y311 F546	P308-D310 PolarHBondContact O-N 2.91Å; P308-Y311 HydrophobicContact CG-CD2 3.66Å; P308-Y311 HydrophobicContact CG-CE2 4.08Å; P308-Y311 PolarHBondContact O-N 3.42Å; P308-F546 HydrophobicContact CG-CB 4.03Å; P308-F546 HydrophobicContact CG-CD1 4.18Å; P308-F546 HydrophobicContact CG-CD2 4.06Å; P308-F546 HydrophobicContact CG-CG 3.83Å
309	R	93.3	Very high	93	Very high	215 Å²	215	86.1 Å²	86.1	81%	0.811	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-51.9	-30.9	179.1	-65.8	-178.4	178.9	179.2	-2.5	113.5	Y311 I312	R309-Y311 PolarHBondContact O-N 3.23Å; R309-I312 WeakPolarHBondContact O-CB 3.34Å; R309-I312 PolarHBondContact O-N 2.77Å; R309-I312 VanDerWaalsContact O-N 3.11Å
310	D	92.8	Very high	92.9	Very high	41 Å²	41	85.5 Å²	85.5	22%	0.219	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.4	177.2	-63.6	-31.2	0	0	0	113.5	P308 I312 R313 F430 W549	P308-D310 PolarHBondContact O-N 2.91Å; D310-I312 PolarHBondContact O-N 3.31Å; D310-R313 WeakPolarHBondContact O-CB 3.44Å; D310-R313 PolarHBondContact O-N 3Å; D310-R313 VanDerWaalsContact O-N 3.1Å; D310-R313 IonicContact OD1-NH1 2.71Å; D310-F430 HydrophobicContact CB-CE2 4.04Å; D310-F430 HydrophobicContact CB-CZ 4.04Å; D310-W549 HydrophobicContact CB-CE3 4.38Å
311	Y	92.9	Very high	92.8	Very high	13 Å²	13	81.1 Å²	81.1	5%	0.051	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-68.5	-17.2	178.5	-89.9	-121.1	0	0	0	112.9	L307 P308 R309 R313 I314 H316 L368 F430 A461 F546	L307-Y311 HydrophobicContact CD1-CD1 4.43Å; L307-Y311 HydrophobicContact CD2-CD1 3.77Å; L307-Y311 HydrophobicContact CD2-CE1 3.93Å; L307-Y311 HydrophobicContact CD2-CG 4.25Å; P308-Y311 HydrophobicContact CG-CD2 3.66Å; P308-Y311 HydrophobicContact CG-CE2 4.08Å; P308-Y311 PolarHBondContact O-N 3.42Å; R309-Y311 PolarHBondContact O-N 3.23Å; Y311-R313 PolarHBondContact O-N 3.37Å; Y311-I314 HydrophobicContact CD1-CD1 3.91Å; Y311-I314 HydrophobicContact CD2-CD1 4.45Å; Y311-I314 HydrophobicContact CE1-CD1 4.24Å; Y311-I314 HydrophobicContact CG-CD1 4.05Å; Y311-I314 WeakPolarHBondContact O-CG1 2.88Å; Y311-H316 PolarHBondContact O-CE1 3.04Å; Y311-L368 HydrophobicContact CE2-CD1 4.43Å; Y311-L368 WeakPolarHBondContact OH-CD1 3.39Å; Y311-F430 HydrophobicContact CD2-CE1 4.12Å; Y311-F430 AromaticContact CD2-CZ 3.91Å; Y311-F430 HydrophobicContact CD2-CZ 3.91Å; Y311-F430 AromaticContact CE2-CE1 3.91Å; Y311-F430 HydrophobicContact CE2-CE1 3.91Å; Y311-F430 AromaticContact CE2-CZ 3.74Å; Y311-F430 HydrophobicContact CE2-CZ 3.74Å; Y311-A461 HydrophobicContact CE1-CB 4.19Å; Y311-A461 PolarHBondContact OH-O 3.36Å; Y311-F546 HydrophobicContact CD2-CD1 4.44Å; Y311-F546 HydrophobicContact CE2-CB 4.45Å; Y311-F546 AromaticContact CE2-CD1 3.54Å; Y311-F546 HydrophobicContact CE2-CD1 3.54Å; Y311-F546 HydrophobicContact CE2-CE1 4.16Å; Y311-F546 HydrophobicContact CE2-CG 4.34Å; Y311-F546 AromaticContact CZ-CD1 3.68Å
312	I	92	Very high	92.7	Very high	151 Å²	151	84.3 Å²	84.3	77%	0.774	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-70.2	-26.1	174.2	-56.3	172.1	0	0	0	110.5	R309 D310	R309-I312 WeakPolarHBondContact O-CB 3.34Å; R309-I312 PolarHBondContact O-N 2.77Å; R309-I312 VanDerWaalsContact O-N 3.11Å; D310-I312 PolarHBondContact O-N 3.31Å
313	R	91.5	Very high	92.6	Very high	169 Å²	169	83.4 Å²	83.4	64%	0.638	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-86.7	-7.8	-175.1	-58.1	176.1	175.7	170.8	-5.7	114	D310 Y311 W549	D310-R313 WeakPolarHBondContact O-CB 3.44Å; D310-R313 PolarHBondContact O-N 3Å; D310-R313 VanDerWaalsContact O-N 3.1Å; D310-R313 IonicContact OD1-NH1 2.71Å; Y311-R313 PolarHBondContact O-N 3.37Å; R313-W549 HydrophobicContact CB-CH2 4.33Å; R313-W549 HydrophobicContact CB-CZ3 4.23Å
314	I	94	Very high	92.6	Very high	11 Å²	11	84 Å²	84	6%	0.056	40%	0.402	C	S	.	.	S	Bend	trans	-104.8	150.1	-173.1	69.5	174.1	0	0	0	113.2	Y311 H316 M366 L368 F430 A461 W549	Y311-I314 HydrophobicContact CD1-CD1 3.91Å; Y311-I314 HydrophobicContact CD2-CD1 4.45Å; Y311-I314 HydrophobicContact CE1-CD1 4.24Å; Y311-I314 HydrophobicContact CG-CD1 4.05Å; Y311-I314 WeakPolarHBondContact O-CG1 2.88Å; I314-H316 PolarHBondContact O-ND1 3.37Å; I314-H316 VanDerWaalsContact O-ND1 3.12Å; I314-M366 WeakPolarHBondContact CA-O 3.31Å; I314-L368 HydrophobicContact CD1-CB 4.36Å; I314-F430 HydrophobicContact CD1-CE1 4.14Å; I314-F430 HydrophobicContact CG2-CD1 3.91Å; I314-F430 HydrophobicContact CG2-CE1 4.14Å; I314-A461 HydrophobicContact CD1-CB 3.96Å; I314-W549 HydrophobicContact CG2-CZ3 4Å
315	V	93.3	Very high	92.6	Very high	38 Å²	38	83 Å²	83	23%	0.23	40%	0.398	C	S	.	.			trans	-75.8	130.4	174.2	176.6	0	0	0	0	111.1	F317 K365 M366	V315-F317 HydrophobicContact CB-CE2 4.44Å; V315-F317 HydrophobicContact CG1-CD1 4.36Å; V315-F317 HydrophobicContact CG1-CD2 4.14Å; V315-F317 HydrophobicContact CG1-CE1 4.03Å; V315-F317 HydrophobicContact CG1-CE2 3.79Å; V315-F317 HydrophobicContact CG1-CG 4.41Å; V315-F317 HydrophobicContact CG1-CZ 3.73Å; V315-K365 HydrophobicContact CG2-CB 3.46Å; V315-K365 VanDerWaalsContact CG2-CB 3.46Å; V315-K365 HydrophobicContact CG2-CD 3.56Å; V315-K365 HydrophobicContact CG2-CG 4.1Å; V315-M366 PolarHBondContact N-O 2.89Å
316	H	91.5	Very high	92.7	Very high	98 Å²	98	88.9 Å²	88.9	45%	0.454	42%	0.418	S	S	.	.			trans	-105.7	117.1	171.3	-66	76.2	0	0	0	109.5	Y311 I314	Y311-H316 PolarHBondContact O-CE1 3.04Å; I314-H316 PolarHBondContact O-ND1 3.37Å; I314-H316 VanDerWaalsContact O-ND1 3.12Å
317	F	91.2	Very high	92.7	Very high	37 Å²	37	83.4 Å²	83.4	16%	0.162	39%	0.389	C	S	.	.			trans	-90.6	119.3	175.5	-65.7	-80.6	0	0	0	110.2	V315 N319 F320 T323 N362 V433 V459	V315-F317 HydrophobicContact CB-CE2 4.44Å; V315-F317 HydrophobicContact CG1-CD1 4.36Å; V315-F317 HydrophobicContact CG1-CD2 4.14Å; V315-F317 HydrophobicContact CG1-CE1 4.03Å; V315-F317 HydrophobicContact CG1-CE2 3.79Å; V315-F317 HydrophobicContact CG1-CG 4.41Å; V315-F317 HydrophobicContact CG1-CZ 3.73Å; F317-N319 PolarHBondContact O-N 3.37Å; F317-F320 HydrophobicContact CB-CB 4.25Å; F317-F320 HydrophobicContact CB-CD2 4.5Å; F317-F320 AromaticContact CD2-CD2 3.87Å; F317-F320 HydrophobicContact CD2-CD2 3.87Å; F317-F320 HydrophobicContact CD2-CE2 4.49Å; F317-F320 HydrophobicContact CE2-CD2 4.22Å; F317-F320 HydrophobicContact CE2-CE2 4.42Å; F317-F320 HydrophobicContact CG-CD2 4.09Å; F317-T323 HydrophobicContact CD1-CG2 3.94Å; F317-T323 HydrophobicContact CE1-CG2 3.97Å; F317-N362 HydrophobicContact CZ-CB 4.42Å; F317-V433 HydrophobicContact CE2-CG1 4.27Å; F317-V433 HydrophobicContact CE2-CG2 3.75Å; F317-V433 HydrophobicContact CZ-CG1 4.16Å; F317-V433 HydrophobicContact CZ-CG2 4.01Å; F317-V459 HydrophobicContact CD2-CG1 4.24Å; F317-V459 HydrophobicContact CE2-CG1 4.2Å
318	K	89.9	Confident	92.5	Very high	224 Å²	224	82.1 Å²	82.1	97%	0.974	38%	0.382	S	S	*	.	S	Bend	trans	-55.9	-39.2	174.7	-67.9	-172	179.1	-176.2	0	112.6
319	N	92.2	Very high	92.2	Very high	84 Å²	84	86.2 Å²	86.2	45%	0.449	40%	0.398	S	S	.	.			trans	-150.5	100.9	171.5	-174.6	-37	0	0	0	109.4	F317 S321 V322 T323	F317-N319 PolarHBondContact O-N 3.37Å; N319-S321 VanDerWaalsContact C-N 3.35Å; N319-S321 PolarHBondContact O-N 3.46Å; N319-S321 PolarHBondContact OD1-N 3.2Å; N319-V322 HydrophobicContact CB-CB 4.36Å; N319-V322 HydrophobicContact CB-CG2 4.38Å; N319-V322 PolarHBondContact O-N 2.84Å; N319-V322 PolarHBondContact OD1-N 3.38Å; N319-T323 PolarHBondContact O-N 3.14Å; N319-T323 PolarHBondContact O-OG1 3.32Å; N319-T323 VanDerWaalsContact O-OG1 3.11Å
320	F	93	Very high	91.7	Very high	14 Å²	14	81 Å²	81	6%	0.061	38%	0.382	C	S	.	.	H	α-helix	trans	-60.3	-40.3	-176.4	-178.6	-106	0	0	0	113.2	F317 V322 T323 K324 F435 P436 N458 V459	F317-F320 HydrophobicContact CB-CB 4.25Å; F317-F320 HydrophobicContact CB-CD2 4.5Å; F317-F320 AromaticContact CD2-CD2 3.87Å; F317-F320 HydrophobicContact CD2-CD2 3.87Å; F317-F320 HydrophobicContact CD2-CE2 4.49Å; F317-F320 HydrophobicContact CE2-CD2 4.22Å; F317-F320 HydrophobicContact CE2-CE2 4.42Å; F317-F320 HydrophobicContact CG-CD2 4.09Å; F320-V322 PolarHBondContact O-N 3.11Å; F320-T323 PolarHBondContact O-N 3.48Å; F320-K324 VanDerWaalsContact O-CB 3.27Å; F320-K324 WeakPolarHBondContact O-CB 3.35Å; F320-K324 PolarHBondContact O-N 3.18Å; F320-F435 HydrophobicContact CD2-CE1 4.49Å; F320-F435 AromaticContact CE2-CD1 3.8Å; F320-F435 HydrophobicContact CE2-CD1 3.8Å; F320-F435 AromaticContact CE2-CE1 3.71Å; F320-F435 HydrophobicContact CE2-CE1 3.71Å; F320-F435 AromaticContact CZ-CD1 3.72Å; F320-F435 HydrophobicContact CZ-CD1 3.72Å; F320-F435 HydrophobicContact CZ-CE1 4.13Å; F320-P436 HydrophobicContact CE1-CG 4.21Å; F320-N458 HydrophobicContact CD1-CB 3.75Å; F320-N458 HydrophobicContact CE1-CB 4.2Å; F320-V459 HydrophobicContact CD2-CB 3.81Å; F320-V459 HydrophobicContact CD2-CG2 4.25Å; F320-V459 HydrophobicContact CE1-CG2 4.38Å; F320-V459 HydrophobicContact CE2-CB 3.67Å; F320-V459 HydrophobicContact CE2-CG2 3.58Å; F320-V459 HydrophobicContact CG-CB 4.36Å; F320-V459 HydrophobicContact CZ-CB 4.09Å; F320-V459 HydrophobicContact CZ-CG2 3.64Å
321	S	92.5	Very high	90.5	Very high	65 Å²	65	87.3 Å²	87.3	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-42.4	-177.6	-59	0	0	0	0	112.6	N319 K325	N319-S321 VanDerWaalsContact C-N 3.35Å; N319-S321 PolarHBondContact O-N 3.46Å; N319-S321 PolarHBondContact OD1-N 3.2Å; S321-K325 PolarHBondContact O-N 3.4Å
322	V	94.2	Very high	89	Confident	77 Å²	77	88.2 Å²	88.2	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-69.2	-43.6	177.3	175.8	0	0	0	0	110.9	N319 F320 K325 R326	N319-V322 HydrophobicContact CB-CB 4.36Å; N319-V322 HydrophobicContact CB-CG2 4.38Å; N319-V322 PolarHBondContact O-N 2.84Å; N319-V322 PolarHBondContact OD1-N 3.38Å; F320-V322 PolarHBondContact O-N 3.11Å; V322-K325 PolarHBondContact O-N 3.17Å; V322-R326 PolarHBondContact O-N 3.47Å; V322-R326 VanDerWaalsContact O-N 3.09Å
323	T	93.9	Very high	87.2	Confident	39 Å²	39	90.3 Å²	90.3	24%	0.239	42%	0.421	C	S	.	.	H	α-helix	trans	-60.9	-45.2	176.3	-58.6	0	0	0	0	111.5	F317 N319 F320 R326 I327	F317-T323 HydrophobicContact CD1-CG2 3.94Å; F317-T323 HydrophobicContact CE1-CG2 3.97Å; N319-T323 PolarHBondContact O-N 3.14Å; N319-T323 PolarHBondContact O-OG1 3.32Å; N319-T323 VanDerWaalsContact O-OG1 3.11Å; F320-T323 PolarHBondContact O-N 3.48Å; T323-R326 PolarHBondContact O-N 3.23Å; T323-I327 HydrophobicContact CG2-CD1 3.7Å; T323-I327 WeakPolarHBondContact O-CD1 3.35Å; T323-I327 VanDerWaalsContact O-CG1 3.29Å; T323-I327 WeakPolarHBondContact O-CG1 3.47Å; T323-I327 PolarHBondContact O-N 3.08Å; T323-I327 VanDerWaalsContact O-N 3.11Å
324	K	93.3	Very high	85.2	Confident	51 Å²	51	84.2 Å²	84.2	22%	0.222	41%	0.411	C	S	.	.	H	α-helix	trans	-56.4	-51.7	173.6	173.1	-174.5	158.3	-179.6	0	111.5	F320 R326 I327 L328 F435 P436	F320-K324 VanDerWaalsContact O-CB 3.27Å; F320-K324 WeakPolarHBondContact O-CB 3.35Å; F320-K324 PolarHBondContact O-N 3.18Å; K324-R326 PolarHBondContact O-N 2.8Å; K324-I327 PolarHBondContact O-N 3.25Å; K324-L328 HydrophobicContact CD-CD1 4.44Å; K324-L328 HydrophobicContact CG-CD1 3.85Å; K324-L328 HydrophobicContact CG-CG 4.36Å; K324-L328 WeakPolarHBondContact O-CG 3.35Å; K324-L328 PolarHBondContact O-N 3.14Å; K324-F435 HydrophobicContact CB-CD1 3.81Å; K324-F435 HydrophobicContact CB-CE1 4.24Å; K324-F435 HydrophobicContact CG-CB 4.41Å; K324-F435 HydrophobicContact CG-CD1 3.97Å; K324-P436 WeakPolarHBondContact CE-O 3.49Å; K324-P436 PolarHBondContact NZ-O 3.34Å
325	K	93.4	Very high	83	Confident	128 Å²	128	85.9 Å²	85.9	56%	0.557	43%	0.426	S	S	*	.	H	α-helix	trans	-55.4	-51.6	-178.4	-177.7	179.2	173.6	-176.6	0	110.8	S321 V322 I327 L328 E329	S321-K325 PolarHBondContact O-N 3.4Å; V322-K325 PolarHBondContact O-N 3.17Å; K325-I327 VanDerWaalsContact C-N 3.3Å; K325-I327 PolarHBondContact O-N 3.46Å; K325-L328 PolarHBondContact O-N 2.91Å; K325-L328 VanDerWaalsContact O-N 3.17Å; K325-E329 WeakPolarHBondContact CE-OE1 3.29Å; K325-E329 VanDerWaalsContact CE-OE2 3.29Å; K325-E329 WeakPolarHBondContact CE-OE2 3.45Å; K325-E329 HydrophobicContact CG-CG 4.44Å; K325-E329 WeakPolarHBondContact CG-OE2 3.32Å; K325-E329 IonicContact NZ-OE1 2.91Å; K325-E329 WeakPolarHBondContact O-CG 3.47Å; K325-E329 PolarHBondContact O-N 2.93Å
326	R	93.7	Very high	80.7	Confident	177 Å²	177	88.3 Å²	88.3	67%	0.668	44%	0.441	S	S	*	.	H	α-helix	trans	-55.4	-41	177.4	-173.4	-171.7	-61.3	179.2	-2.1	113.2	V322 T323 K324 Q330	V322-R326 PolarHBondContact O-N 3.47Å; V322-R326 VanDerWaalsContact O-N 3.09Å; T323-R326 PolarHBondContact O-N 3.23Å; K324-R326 PolarHBondContact O-N 2.8Å; R326-Q330 PolarHBondContact O-N 2.82Å
327	I	91.2	Very high	78.6	Confident	11 Å²	11	83.7 Å²	83.7	6%	0.056	42%	0.42	C	S	.	.	H	α-helix	trans	-72.2	-33.9	-178.3	-71.8	166.6	0	0	0	112	T323 K324 K325 L360 P361 F435	T323-I327 HydrophobicContact CG2-CD1 3.7Å; T323-I327 WeakPolarHBondContact O-CD1 3.35Å; T323-I327 VanDerWaalsContact O-CG1 3.29Å; T323-I327 WeakPolarHBondContact O-CG1 3.47Å; T323-I327 PolarHBondContact O-N 3.08Å; T323-I327 VanDerWaalsContact O-N 3.11Å; K324-I327 PolarHBondContact O-N 3.25Å; K325-I327 VanDerWaalsContact C-N 3.3Å; K325-I327 PolarHBondContact O-N 3.46Å; I327-L360 HydrophobicContact CG2-CB 3.96Å; I327-L360 HydrophobicContact CG2-CD1 4.39Å; I327-L360 HydrophobicContact CG2-CD2 4.37Å; I327-L360 HydrophobicContact CG2-CG 4.48Å; I327-P361 HydrophobicContact CD1-CB 4.39Å; I327-P361 HydrophobicContact CG1-CB 4.37Å; I327-P361 HydrophobicContact CG2-CB 4.47Å; I327-P361 HydrophobicContact CG2-CG 4.33Å; I327-F435 HydrophobicContact CD1-CE1 4.07Å; I327-F435 HydrophobicContact CD1-CE2 3.98Å; I327-F435 HydrophobicContact CD1-CZ 3.42Å; I327-F435 VanDerWaalsContact CD1-CZ 3.42Å; I327-F435 HydrophobicContact CG2-CE2 4.18Å
328	L	88.3	Confident	76.2	Confident	42 Å²	42	82.1 Å²	82.1	22%	0.22	41%	0.414	C	S	.	.	H	α-helix	trans	-78.6	-27.3	177.8	-62.1	176.8	0	0	0	112.9	Y118 K324 K325 L360	Y118-L328 HydrophobicContact CD1-CB 4.1Å; Y118-L328 HydrophobicContact CD1-CD2 3.84Å; Y118-L328 HydrophobicContact CD1-CG 4.41Å; Y118-L328 HydrophobicContact CD2-CD2 4.27Å; Y118-L328 HydrophobicContact CE1-CB 4.28Å; Y118-L328 HydrophobicContact CG-CD2 3.68Å; K324-L328 HydrophobicContact CD-CD1 4.44Å; K324-L328 HydrophobicContact CG-CD1 3.85Å; K324-L328 HydrophobicContact CG-CG 4.36Å; K324-L328 WeakPolarHBondContact O-CG 3.35Å; K324-L328 PolarHBondContact O-N 3.14Å; K325-L328 PolarHBondContact O-N 2.91Å; K325-L328 VanDerWaalsContact O-N 3.17Å; L328-L360 HydrophobicContact CD2-CD1 3.86Å
329	E	88.1	Confident	74.1	Confident	126 Å²	126	71.9 Å²	71.9	59%	0.589	37%	0.37	S	S	*	.	S	Bend	trans	-83.5	-9.3	175.7	-69.8	174.6	157.2	0	0	113.3	K325 E331	K325-E329 WeakPolarHBondContact CE-OE1 3.29Å; K325-E329 VanDerWaalsContact CE-OE2 3.29Å; K325-E329 WeakPolarHBondContact CE-OE2 3.45Å; K325-E329 HydrophobicContact CG-CG 4.44Å; K325-E329 WeakPolarHBondContact CG-OE2 3.32Å; K325-E329 IonicContact NZ-OE1 2.91Å; K325-E329 WeakPolarHBondContact O-CG 3.47Å; K325-E329 PolarHBondContact O-N 2.93Å; E329-E331 PolarHBondContact O-N 2.82Å; E329-E331 VanDerWaalsContact O-N 3.11Å
330	Q	82.9	Confident	72	Confident	104 Å²	104	68.3 Å²	68.3	49%	0.486	35%	0.351	S	S	.	.			trans	-72.3	104.9	179.8	-174.8	180	-4.8	0	0	110.9	R326	R326-Q330 PolarHBondContact O-N 2.82Å
331	E	66.8	Low	69.5	Low	174 Å²	174	70 Å²	70	81%	0.813	36%	0.36	S	S	*	.			trans	-55.2	138.8	172.2	-68.5	-167.6	162.6	0	0	111.8	E329	E329-E331 PolarHBondContact O-N 2.82Å; E329-E331 VanDerWaalsContact O-N 3.11Å
332	V	62.9	Low	67.3	Low	33 Å²	33	67.3 Å²	67.3	20%	0.2	34%	0.344	C	S	.	.			trans	-110.3	116.2	178.3	-169.3	0	0	0	0	108.3	S145 D147	S145-V332 VanDerWaalsContact OG-C 3.31Å; S145-V332 WeakPolarHBondContact OG-CB 3.45Å; S145-V332 VanDerWaalsContact OG-CG1 3.31Å; S145-V332 WeakPolarHBondContact OG-CG1 3.22Å; S145-V332 PolarHBondContact OG-O 2.89Å; D147-V332 HydrophobicContact CB-CG1 3.69Å
333	K	53.3	Low	64.7	Low	194 Å²	194	69.2 Å²	69.2	84%	0.843	35%	0.35	S	S	*	.			trans	-87.3	121.4	163.5	-61	-175.9	-177.7	-177.3	0	106.5
334	G	50.4	Low	62.6	Low	42 Å²	42	70.3 Å²	70.3	43%	0.433	35%	0.35	S	S	.	.			trans	-165.2	157.1	-171.1	0	0	0	0	0	113.4	S145 L146	S145-G334 WeakPolarHBondContact CB-O 3.39Å; L146-G334 CarbonylContact O-C 3.54Å; L146-G334 WeakPolarHBondContact O-CA 3.28Å
335	A	47.3	Very low	60.1	Low	45 Å²	45	72 Å²	72	37%	0.372	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-101.8	176.8	-173.1	0	0	0	0	0	112.5	L146 V165 V337	L146-A335 PolarHBondContact O-N 2.74Å; V165-A335 HydrophobicContact CG1-CB 4.26Å; A335-V337 WeakPolarHBondContact O-CG2 3.23Å
336	V	45.3	Very low	58	Low	89 Å²	89	73.4 Å²	73.4	54%	0.539	38%	0.375	S	S	.	.			trans	-93.5	144.8	169.9	-176.3	0	0	0	0	108.5	V141 D166 V167	V141-V336 HydrophobicContact CB-CG1 4.44Å; V141-V336 HydrophobicContact CG2-CG1 4.15Å; D166-V336 CarbonylContact C-O 3.56Å; D166-V336 VanDerWaalsContact O-O 3.13Å; V167-V336 VanDerWaalsContact CG2-O 3.27Å; V167-V336 WeakPolarHBondContact CG2-O 3.11Å
337	V	47	Very low	56.2	Low	1 Å²	1	65.1 Å²	65.1	1%	0.006	34%	0.344	C	S	.	.			trans	-142.7	136.3	-148.5	-175.1	0	0	0	0	115	V141 L146 V165 D166 A335	V141-V337 HydrophobicContact CG2-CB 4.12Å; V141-V337 HydrophobicContact CG2-CG2 4.25Å; L146-V337 HydrophobicContact CB-CG2 3.62Å; L146-V337 HydrophobicContact CD2-CB 3.8Å; L146-V337 HydrophobicContact CD2-CG1 3.93Å; L146-V337 HydrophobicContact CD2-CG2 3.55Å; L146-V337 HydrophobicContact CG-CG2 3.87Å; V165-V337 HydrophobicContact CB-CG1 3.89Å; V165-V337 HydrophobicContact CB-CG2 4.3Å; V165-V337 HydrophobicContact CG1-CB 3.92Å; V165-V337 HydrophobicContact CG1-CG1 3.73Å; V165-V337 HydrophobicContact CG1-CG2 3.27Å; V165-V337 HydrophobicContact CG2-CG1 3.55Å; V165-V337 HydrophobicContact CG2-CG2 4.27Å; D166-V337 CarbonylContact O-C 3.59Å; D166-V337 WeakPolarHBondContact O-CA 3.39Å; A335-V337 WeakPolarHBondContact O-CG2 3.23Å
338	S	40.6	Very low	54.1	Low	5 Å²	5	68 Å²	68	4%	0.035	37%	0.365	C	S	.	.			trans	-151.7	64.8	170.2	52.1	0	0	0	0	115.7	L137 D166 L168	L137-S338 CarbonylContact O-C 3.53Å; L137-S338 VanDerWaalsContact O-C 3.24Å; L137-S338 WeakPolarHBondContact O-CA 3.49Å; D166-S338 WeakPolarHBondContact CB-OG 3.31Å; D166-S338 PolarHBondContact O-N 2.76Å; D166-S338 PolarHBondContact O-OG 2.91Å; D166-S338 VanDerWaalsContact O-OG 3.1Å; L168-S338 WeakPolarHBondContact CD1-OG 3.18Å; L168-S338 WeakPolarHBondContact CG-OG 3.31Å
339	A	45.8	Very low	52.3	Low	8 Å²	8	73.5 Å²	73.5	7%	0.066	39%	0.394	C	S	.	.			trans	-160.5	147.1	161.3	0	0	0	0	0	111.3	R136 L162 S164 F183	R136-A339 HydrophobicContact CG-CB 4.46Å; L162-A339 WeakPolarHBondContact CD2-O 3.41Å; S164-A339 VanDerWaalsContact O-O 3.12Å; F183-A339 HydrophobicContact CE1-CB 4.45Å
340	F	48.5	Very low	50.8	Low	9 Å²	9	70.6 Å²	70.6	4%	0.039	38%	0.38	C	S	.	.			trans	-143.5	156.7	170.5	-57	-106.3	0	0	0	108.5	L122 L135 L137 V152 L162 V356	L122-F340 HydrophobicContact CD2-CE2 3.37Å; L122-F340 HydrophobicContact CD2-CZ 3.52Å; L135-F340 CarbonylContact C-O 3.55Å; L135-F340 WeakPolarHBondContact CA-O 3.37Å; L135-F340 PolarHBondContact N-O 2.96Å; L135-F340 CarbonylContact O-C 3.49Å; L135-F340 WeakPolarHBondContact O-CB 3.33Å; L135-F340 PolarHBondContact O-N 2.87Å; L137-F340 HydrophobicContact CB-CD2 3.55Å; L137-F340 HydrophobicContact CB-CE2 3.71Å; L137-F340 HydrophobicContact CD1-CD2 3.69Å; L137-F340 HydrophobicContact CD1-CE2 3.98Å; L137-F340 HydrophobicContact CD1-CG 4.15Å; L137-F340 HydrophobicContact CG-CD2 3.65Å; L137-F340 HydrophobicContact CG-CE2 4.17Å; L137-F340 HydrophobicContact CG-CG 4.36Å; V152-F340 HydrophobicContact CB-CE1 4.27Å; V152-F340 HydrophobicContact CG1-CD1 4.23Å; V152-F340 HydrophobicContact CG1-CE1 3.76Å; V152-F340 HydrophobicContact CG2-CE1 4.03Å; L162-F340 HydrophobicContact CD2-CD1 3.35Å; L162-F340 HydrophobicContact CD2-CE1 3.38Å; L162-F340 HydrophobicContact CD2-CG 4.03Å; L162-F340 HydrophobicContact CD2-CZ 4.08Å; L162-F340 HydrophobicContact CG-CD1 4.23Å; L162-F340 HydrophobicContact CG-CE1 4.16Å; F340-V356 HydrophobicContact CE1-CG1 3.78Å; F340-V356 HydrophobicContact CZ-CG1 3.86Å
341	N	41	Very low	49.7	Very low	49 Å²	49	70.2 Å²	70.2	26%	0.262	39%	0.389	S	S	.	.			trans	-117.8	123	168.1	-67.7	-6.2	0	0	0	108.4	T134 T163	T134-N341 VanDerWaalsContact CB-OD1 3.26Å; T134-N341 WeakPolarHBondContact CB-OD1 3.29Å; T134-N341 HydrophobicContact CG2-CB 3.89Å; T134-N341 WeakPolarHBondContact CG2-OD1 3.14Å; T163-N341 WeakPolarHBondContact OG1-CB 3.37Å; T163-N341 PolarHBondContact OG1-ND2 3.07Å; T163-N341 VanDerWaalsContact OG1-ND2 3.13Å
342	G	45.2	Very low	49.6	Very low	10 Å²	10	63.7 Å²	63.7	10%	0.103	36%	0.358	C	S	.	.			trans	-163.7	135.1	-175.6	0	0	0	0	0	110.8	C133 Y344	C133-G342 CarbonylContact C-O 3.53Å; C133-G342 CarbonylContact O-C 3.57Å; C133-G342 PolarHBondContact O-N 2.99Å; C133-G342 VanDerWaalsContact O-O 3.14Å; G342-Y344 PolarHBondContact O-N 3.12Å
343	L	39.8	Very low	50	Low	116 Å²	116	63.4 Å²	63.4	61%	0.607	36%	0.357	S	S	*	.			trans	-90.1	80.2	-163.5	-163.5	163.1	0	0	0	112.1	C133	C133-L343 HydrophobicContact CB-CB 4.32Å; C133-L343 HydrophobicContact CB-CD1 4.27Å; C133-L343 HydrophobicContact CB-CG 4.08Å; C133-L343 VanDerWaalsContact SG-CD1 3.58Å
344	Y	50.9	Low	51.2	Low	62 Å²	62	55.3 Å²	55.3	24%	0.243	32%	0.323	C	S	.	.			trans	-147.3	84.6	-172.2	-60.5	-69.5	0	0	0	114.9	I129 W157 Y160 G342 F346 L347	I129-Y344 WeakPolarHBondContact CD1-O 3.46Å; W157-Y344 AromaticContact CE3-CD1 3.7Å; W157-Y344 HydrophobicContact CE3-CD1 3.7Å; W157-Y344 HydrophobicContact CE3-CE1 4.14Å; W157-Y344 HydrophobicContact CE3-CG 4.12Å; W157-Y344 AromaticContact CZ3-CD1 3.62Å; W157-Y344 HydrophobicContact CZ3-CD1 3.62Å; W157-Y344 HydrophobicContact CZ3-CE1 4.35Å; W157-Y344 HydrophobicContact CZ3-CG 4.17Å; Y160-Y344 HydrophobicContact CD1-CE2 4.23Å; Y160-Y344 AromaticContact CE1-CE2 3.42Å; Y160-Y344 HydrophobicContact CE1-CE2 3.42Å; Y160-Y344 VanDerWaalsContact CE1-CE2 3.42Å; Y160-Y344 AromaticContact CE1-CZ 3.63Å; Y160-Y344 WeakPolarHBondContact CE1-OH 3.41Å; Y160-Y344 HydrophobicContact CE2-CE2 4.26Å; Y160-Y344 AromaticContact CZ-CE2 3.42Å; Y160-Y344 VanDerWaalsContact CZ-CE2 3.42Å; Y160-Y344 AromaticContact CZ-CZ 3.64Å; Y160-Y344 WeakPolarHBondContact OH-CE2 3.3Å; Y160-Y344 PolarHBondContact OH-OH 2.93Å; G342-Y344 PolarHBondContact O-N 3.12Å; Y344-F346 PolarHBondContact O-N 2.91Å; Y344-L347 HydrophobicContact CD2-CD1 4.04Å; Y344-L347 HydrophobicContact CG-CD1 4.03Å; Y344-L347 HydrophobicContact CG-CG 4.4Å; Y344-L347 PolarHBondContact O-N 2.93Å; Y344-L347 VanDerWaalsContact O-N 3.1Å
345	S	40.7	Very low	52.8	Low	88 Å²	88	53.5 Å²	53.5	62%	0.615	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-53	-21.4	167.7	50.2	0	0	0	0	114.3
346	F	49.3	Very low	54.8	Low	156 Å²	156	51.5 Å²	51.5	68%	0.684	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-83.2	-8.4	-179.5	-59.2	-76.8	0	0	0	115.1	W157 Y344 C348	W157-F346 HydrophobicContact CH2-CB 3.72Å; W157-F346 HydrophobicContact CZ3-CB 4.33Å; Y344-F346 PolarHBondContact O-N 2.91Å; F346-C348 VanDerWaalsContact C-N 3.32Å; F346-C348 PolarHBondContact O-N 2.85Å
347	L	55.7	Low	56.9	Low	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-80.3	-4	-179.2	-82.3	176.3	0	0	0	114.6	L135 W157 Y344 F350	L135-L347 HydrophobicContact CD1-CB 3.87Å; L135-L347 HydrophobicContact CD1-CD1 3.59Å; L135-L347 HydrophobicContact CD1-CG 4.38Å; L135-L347 HydrophobicContact CD2-CD1 3.57Å; L135-L347 HydrophobicContact CG-CD1 4.23Å; W157-L347 HydrophobicContact CD2-CD2 3.79Å; W157-L347 HydrophobicContact CD2-CG 4.29Å; W157-L347 HydrophobicContact CE3-CD2 4.37Å; W157-L347 HydrophobicContact CE3-CG 4.39Å; W157-L347 HydrophobicContact CG-CD2 4.24Å; W157-L347 HydrophobicContact CH2-CD2 4.31Å; W157-L347 HydrophobicContact CH2-CG 4.37Å; W157-L347 HydrophobicContact CZ2-CD2 3.7Å; W157-L347 HydrophobicContact CZ2-CG 4.24Å; W157-L347 HydrophobicContact CZ3-CG 4.43Å; Y344-L347 HydrophobicContact CD2-CD1 4.04Å; Y344-L347 HydrophobicContact CG-CD1 4.03Å; Y344-L347 HydrophobicContact CG-CG 4.4Å; Y344-L347 PolarHBondContact O-N 2.93Å; Y344-L347 VanDerWaalsContact O-N 3.1Å; L347-F350 HydrophobicContact CD2-CD2 4.18Å; L347-F350 HydrophobicContact CD2-CE2 3.76Å; L347-F350 HydrophobicContact CD2-CZ 4.45Å
348	C	45.7	Very low	59	Low	73 Å²	73	47.9 Å²	47.9	49%	0.493	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.9	-172.6	-68.5	0	0	0	0	115.7	I129 F346	I129-C348 WeakPolarHBondContact CD1-SG 3.27Å; F346-C348 VanDerWaalsContact C-N 3.32Å; F346-C348 PolarHBondContact O-N 2.85Å
349	N	51.2	Low	61.5	Low	156 Å²	156	47.8 Å²	47.8	83%	0.834	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	43.3	-166.2	-71.4	-5.6	0	0	0	113.4	S351	N349-S351 PolarHBondContact O-N 2.84Å
350	F	56.1	Low	63.7	Low	65 Å²	65	47.6 Å²	47.6	29%	0.285	26%	0.261	S	S	.	.			trans	-85.3	110.8	178	-87.6	-91.4	0	0	0	112.7	W157 L347 H352	W157-F350 AromaticContact CE2-CZ 3.96Å; W157-F350 AromaticContact CZ2-CE2 3.71Å; W157-F350 HydrophobicContact CZ2-CE2 3.71Å; W157-F350 AromaticContact CZ2-CZ 3.66Å; W157-F350 HydrophobicContact CZ2-CZ 3.66Å; W157-F350 AromaticContact NE1-CZ 3.65Å; L347-F350 HydrophobicContact CD2-CD2 4.18Å; L347-F350 HydrophobicContact CD2-CE2 3.76Å; L347-F350 HydrophobicContact CD2-CZ 4.45Å; F350-H352 VanDerWaalsContact C-N 3.27Å; F350-H352 HydrophobicContact CD1-CB 4.48Å
351	S	59.7	Low	65.7	Low	97 Å²	97	49 Å²	49	68%	0.678	27%	0.271	S	S	*	.			trans	-72.2	-21.3	163.6	45.6	0	0	0	0	112.8	N349	N349-S351 PolarHBondContact O-N 2.84Å
352	H	66	Low	68.1	Low	37 Å²	37	48.7 Å²	48.7	17%	0.171	27%	0.269	C	S	.	.	S	Bend	trans	-92.8	150.8	-173.4	-46.2	-41.5	0	0	0	112.3	D19 D25 F350 L354	D19-H352 IonicContact OD2-CE1 3.26Å; D19-H352 PolarHBondContact OD2-CE1 3.45Å; D19-H352 IonicContact OD2-ND1 2.88Å; D19-H352 PolarHBondContact OD2-ND1 2.85Å; D25-H352 HydrophobicContact CB-CB 4.47Å; D25-H352 IonicContact OD1-CD2 3.94Å; D25-H352 IonicContact OD1-CG 3.71Å; D25-H352 IonicContact OD2-CD2 3.82Å; D25-H352 PolarHBondContact OD2-CD2 2.74Å; D25-H352 IonicContact OD2-CE1 2.74Å; D25-H352 PolarHBondContact OD2-CE1 3.25Å; D25-H352 IonicContact OD2-CG 2.7Å; D25-H352 IonicContact OD2-ND1 3.11Å; D25-H352 PolarHBondContact OD2-ND1 3.35Å; D25-H352 IonicContact OD2-NE2 3.4Å; D25-H352 PolarHBondContact OD2-NE2 2.89Å; F350-H352 VanDerWaalsContact C-N 3.27Å; F350-H352 HydrophobicContact CD1-CB 4.48Å; H352-L354 PolarHBondContact O-N 3.08Å; H352-L354 VanDerWaalsContact O-N 3.1Å
353	P	69.8	Low	70.4	Confident	26 Å²	26	48.2 Å²	48.2	17%	0.169	26%	0.264	C	S	.	.			trans	-70.7	106.8	-175.2	27.3	-33.6	0	0	0	112.5	M1 S29	M1-P353 HydrophobicContact CE-CB 3.69Å; S29-P353 VanDerWaalsContact OG-CG 3.26Å; S29-P353 WeakPolarHBondContact OG-CG 3.32Å
354	L	80.2	Confident	72.9	Confident	24 Å²	24	46.4 Å²	46.4	13%	0.126	25%	0.253	C	S	.	.			trans	-71	134.2	176.4	-170.2	66.1	0	0	0	111.7	V124 L137 I154 H352	V124-L354 HydrophobicContact CB-CB 4.12Å; V124-L354 HydrophobicContact CB-CD2 4.48Å; V124-L354 HydrophobicContact CB-CG 4.48Å; V124-L354 HydrophobicContact CG1-CD2 4.41Å; V124-L354 HydrophobicContact CG2-CB 4.3Å; V124-L354 HydrophobicContact CG2-CD2 4.17Å; V124-L354 HydrophobicContact CG2-CG 4.15Å; V124-L354 PolarHBondContact N-O 2.7Å; L137-L354 HydrophobicContact CD1-CD2 4.35Å; L137-L354 HydrophobicContact CD2-CD2 4.04Å; I154-L354 HydrophobicContact CG2-CD1 3.73Å; H352-L354 PolarHBondContact O-N 3.08Å; H352-L354 VanDerWaalsContact O-N 3.1Å
355	V	83.9	Confident	74.9	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.2	-177.8	-173.6	0	0	0	0	109	V32 P155 Y357	V32-V355 HydrophobicContact CG2-CB 4.01Å; V32-V355 HydrophobicContact CG2-CG1 3.31Å; V32-V355 HydrophobicContact CG2-CG2 3.49Å; V32-V355 VanDerWaalsContact CG2-CG2 3.49Å; P155-V355 WeakPolarHBondContact CD-O 3.29Å; V355-Y357 HydrophobicContact CB-CE2 4.05Å; V355-Y357 HydrophobicContact CG1-CD2 4.11Å; V355-Y357 HydrophobicContact CG1-CE1 4.32Å; V355-Y357 HydrophobicContact CG1-CE2 3.42Å; V355-Y357 VanDerWaalsContact CG1-CE2 3.42Å
356	V	88.1	Confident	77.6	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.5	-174.7	178.5	0	0	0	0	108.8	R121 L122 V124 L137 V152 I154 F340	R121-V356 CarbonylContact C-O 3.58Å; R121-V356 WeakPolarHBondContact CA-O 3.32Å; L122-V356 HydrophobicContact CB-CB 4.15Å; L122-V356 PolarHBondContact N-O 3.3Å; L122-V356 PolarHBondContact O-N 2.88Å; V124-V356 HydrophobicContact CG2-CG2 3.65Å; L137-V356 HydrophobicContact CD1-CG2 3.59Å; V152-V356 HydrophobicContact CG1-CG1 3.1Å; I154-V356 HydrophobicContact CG1-CG1 4.47Å; I154-V356 HydrophobicContact CG1-CG2 4.22Å; F340-V356 HydrophobicContact CE1-CG1 3.78Å; F340-V356 HydrophobicContact CZ-CG1 3.86Å
357	Y	90.9	Very high	79.7	Confident	10 Å²	10	37.3 Å²	37.3	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.3	-174.4	-64.7	-93.4	0	0	0	111.3	R121 V152 H153 P155 V355 Y395	R121-Y357 HydrophobicContact CB-CD1 3.92Å; R121-Y357 HydrophobicContact CB-CE1 4.15Å; V152-Y357 CarbonylContact C-O 3.56Å; V152-Y357 VanDerWaalsContact CA-O 3.32Å; V152-Y357 WeakPolarHBondContact CA-O 3.5Å; H153-Y357 PolarHBondContact N-O 3.38Å; H153-Y357 PolarHBondContact O-N 3.11Å; P155-Y357 HydrophobicContact CG-CD2 4.01Å; P155-Y357 HydrophobicContact CG-CE2 3.71Å; V355-Y357 HydrophobicContact CB-CE2 4.05Å; V355-Y357 HydrophobicContact CG1-CD2 4.11Å; V355-Y357 HydrophobicContact CG1-CE1 4.32Å; V355-Y357 HydrophobicContact CG1-CE2 3.42Å; V355-Y357 VanDerWaalsContact CG1-CE2 3.42Å; Y357-Y395 AromaticContact CD1-CD1 3.93Å; Y357-Y395 HydrophobicContact CD1-CD1 3.93Å; Y357-Y395 HydrophobicContact CD1-CG 4.05Å; Y357-Y395 HydrophobicContact CD2-CD2 4.29Å; Y357-Y395 AromaticContact CD2-CG 3.98Å; Y357-Y395 HydrophobicContact CD2-CG 3.98Å; Y357-Y395 HydrophobicContact CE1-CD1 4.23Å; Y357-Y395 HydrophobicContact CE1-CG 4.32Å; Y357-Y395 HydrophobicContact CE2-CG 4.27Å; Y357-Y395 HydrophobicContact CG-CD1 4.17Å; Y357-Y395 HydrophobicContact CG-CD2 4.2Å; Y357-Y395 AromaticContact CG-CG 3.86Å; Y357-Y395 HydrophobicContact CG-CG 3.86Å
358	S	90	Very high	81.6	Confident	4 Å²	4	37.2 Å²	37.2	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.1	167.5	70	0	0	0	0	110.4	T120	T120-S358 WeakPolarHBondContact CA-OG 3.27Å; T120-S358 VanDerWaalsContact CB-OG 3.26Å; T120-S358 WeakPolarHBondContact CB-OG 3.26Å; T120-S358 PolarHBondContact N-OG 2.83Å; T120-S358 PolarHBondContact O-N 3.31Å; T120-S358 PolarHBondContact O-OG 2.79Å
359	L	92.1	Very high	84	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-85.9	145.8	173.3	-65.8	176.9	0	0	0	111.4	L151 H153 D159 E363 Y395	L151-L359 HydrophobicContact CB-CB 4.38Å; L151-L359 HydrophobicContact CB-CD1 3.93Å; L151-L359 WeakPolarHBondContact O-CB 3.22Å; L151-L359 PolarHBondContact O-N 3.34Å; H153-L359 HydrophobicContact CB-CD1 4.33Å; H153-L359 HydrophobicContact CB-CD2 3.82Å; H153-L359 HydrophobicContact CB-CG 4.1Å; D159-L359 HydrophobicContact CB-CD1 4.09Å; D159-L359 WeakPolarHBondContact OD2-CD1 3.18Å; L359-E363 HydrophobicContact CB-CB 4.3Å; L359-E363 HydrophobicContact CD2-CB 4.23Å; L359-Y395 HydrophobicContact CD2-CE2 3.8Å
360	L	92.2	Very high	86.2	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-79	154.8	169.9	-65.2	173.1	0	0	0	110.7	R119 I327 L328 N362 E363 F435	R119-L360 HydrophobicContact CG-CD1 4.25Å; R119-L360 HydrophobicContact CG-CG 4.09Å; I327-L360 HydrophobicContact CG2-CB 3.96Å; I327-L360 HydrophobicContact CG2-CD1 4.39Å; I327-L360 HydrophobicContact CG2-CD2 4.37Å; I327-L360 HydrophobicContact CG2-CG 4.48Å; L328-L360 HydrophobicContact CD2-CD1 3.86Å; L360-N362 PolarHBondContact O-N 3.28Å; L360-E363 HydrophobicContact CB-CG 3.9Å; L360-E363 PolarHBondContact N-OE2 3.4Å; L360-E363 WeakPolarHBondContact O-CB 3.49Å; L360-E363 PolarHBondContact O-N 3.4Å; L360-F435 HydrophobicContact CB-CD2 4.01Å; L360-F435 HydrophobicContact CB-CE2 4.1Å; L360-F435 HydrophobicContact CD1-CD2 3.86Å
361	P	91.2	Very high	88.1	Confident	39 Å²	39	23.2 Å²	23.2	25%	0.253	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	125.9	173.6	-31.2	33.4	0	0	0	113.8	I327 F435	I327-P361 HydrophobicContact CD1-CB 4.39Å; I327-P361 HydrophobicContact CG1-CB 4.37Å; I327-P361 HydrophobicContact CG2-CB 4.47Å; I327-P361 HydrophobicContact CG2-CG 4.33Å; P361-F435 WeakPolarHBondContact O-CE2 3.46Å
362	N	92.1	Very high	89.8	Confident	41 Å²	41	20.5 Å²	20.5	22%	0.219	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-2.3	-176.2	-46.8	-80	0	0	0	116.9	F317 L360 Q364 K365	F317-N362 HydrophobicContact CZ-CB 4.42Å; L360-N362 PolarHBondContact O-N 3.28Å; N362-Q364 VanDerWaalsContact C-OE1 3.24Å; N362-Q364 VanDerWaalsContact CA-OE1 3.27Å; N362-Q364 PolarHBondContact O-N 3.45Å; N362-K365 HydrophobicContact CB-CD 4.15Å; N362-K365 WeakPolarHBondContact O-CB 3.41Å; N362-K365 PolarHBondContact O-N 3.24Å; N362-K365 VanDerWaalsContact O-N 3.08Å; N362-K365 VanDerWaalsContact OD1-CE 3.31Å; N362-K365 WeakPolarHBondContact OD1-CE 3.48Å; N362-K365 PolarHBondContact OD1-NZ 3.28Å
363	E	92.2	Very high	91.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.4	178.1	-72.5	-166.9	142	0	0	114.2	R119 L359 L360 K365 Y395 R396 P432 V433 F435	R119-E363 IonicContact CZ-OE1 3.94Å; R119-E363 IonicContact NE-OE1 2.77Å; R119-E363 PolarHBondContact NE-OE1 2.87Å; R119-E363 IonicContact NE-OE2 3.19Å; R119-E363 PolarHBondContact NE-OE2 3.22Å; R119-E363 IonicContact NH2-OE1 3.22Å; R119-E363 PolarHBondContact NH2-OE1 3Å; L359-E363 HydrophobicContact CB-CB 4.3Å; L359-E363 HydrophobicContact CD2-CB 4.23Å; L360-E363 HydrophobicContact CB-CG 3.9Å; L360-E363 PolarHBondContact N-OE2 3.4Å; L360-E363 WeakPolarHBondContact O-CB 3.49Å; L360-E363 PolarHBondContact O-N 3.4Å; E363-K365 VanDerWaalsContact C-N 3.3Å; E363-Y395 PolarHBondContact OE2-OH 3.41Å; E363-R396 PolarHBondContact O-NH2 3.17Å; E363-P432 WeakPolarHBondContact O-CB 3.43Å; E363-V433 CarbonylContact C-O 3.44Å; E363-V433 VanDerWaalsContact CA-O 3.23Å; E363-V433 WeakPolarHBondContact CA-O 3.46Å; E363-V433 VanDerWaalsContact CB-O 3.27Å; E363-V433 WeakPolarHBondContact CB-O 3.24Å; E363-V433 WeakPolarHBondContact CG-O 3.49Å; E363-V433 PolarHBondContact O-N 3.09Å; E363-F435 HydrophobicContact CG-CD2 3.7Å; E363-F435 HydrophobicContact CG-CE2 3.69Å; E363-F435 PolarHBondContact OE1-N 3.24Å
364	Q	92.8	Very high	92.4	Very high	78 Å²	78	23.9 Å²	23.9	36%	0.364	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-18.9	173.7	77.2	-78.4	16	0	0	113.4	L151 N362	L151-Q364 HydrophobicContact CD1-CB 3.5Å; L151-Q364 HydrophobicContact CD1-CG 3.45Å; L151-Q364 VanDerWaalsContact CD1-CG 3.45Å; N362-Q364 VanDerWaalsContact C-OE1 3.24Å; N362-Q364 VanDerWaalsContact CA-OE1 3.27Å; N362-Q364 PolarHBondContact O-N 3.45Å
365	K	94.1	Very high	93	Very high	85 Å²	85	23.3 Å²	23.3	37%	0.37	11%	0.109	S	C	.	.	S	Bend	trans	-81.9	142.5	-173.1	-56.2	-176.1	178.9	170.8	0	110.2	V315 N362 E363 P432 V433	V315-K365 HydrophobicContact CG2-CB 3.46Å; V315-K365 VanDerWaalsContact CG2-CB 3.46Å; V315-K365 HydrophobicContact CG2-CD 3.56Å; V315-K365 HydrophobicContact CG2-CG 4.1Å; N362-K365 HydrophobicContact CB-CD 4.15Å; N362-K365 WeakPolarHBondContact O-CB 3.41Å; N362-K365 PolarHBondContact O-N 3.24Å; N362-K365 VanDerWaalsContact O-N 3.08Å; N362-K365 VanDerWaalsContact OD1-CE 3.31Å; N362-K365 WeakPolarHBondContact OD1-CE 3.48Å; N362-K365 PolarHBondContact OD1-NZ 3.28Å; E363-K365 VanDerWaalsContact C-N 3.3Å; K365-P432 WeakPolarHBondContact O-CA 3.32Å; K365-V433 WeakPolarHBondContact O-CG2 3.41Å; K365-V433 PolarHBondContact O-N 3.12Å
366	M	95.4	Very high	93.3	Very high	30 Å²	30	24.5 Å²	24.5	15%	0.148	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.3	178.3	-68.6	-65.9	-77.2	0	0	111.4	I314 V315 F430 A431 P432 W549 Y551	I314-M366 WeakPolarHBondContact CA-O 3.31Å; V315-M366 PolarHBondContact N-O 2.89Å; M366-F430 HydrophobicContact CE-CB 4.23Å; M366-A431 VanDerWaalsContact SD-C 3.51Å; M366-P432 HydrophobicContact SD-CB 4.46Å; M366-P432 VanDerWaalsContact SD-CD 3.54Å; M366-P432 HydrophobicContact SD-CG 3.78Å; M366-P432 VanDerWaalsContact SD-N 3.43Å; M366-W549 HydrophobicContact CB-CH2 3.78Å; M366-W549 HydrophobicContact CE-CH2 3.71Å; M366-W549 HydrophobicContact CE-CZ2 3.56Å; M366-W549 HydrophobicContact CE-CZ3 4.36Å; M366-W549 HydrophobicContact CG-CH2 3.73Å; M366-W549 HydrophobicContact CG-CZ2 4.02Å; M366-Y551 HydrophobicContact CE-CD1 4.14Å; M366-Y551 HydrophobicContact CE-CD2 4.33Å; M366-Y551 HydrophobicContact CE-CG 3.91Å
367	A	95.4	Very high	93.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	172	173.9	0	0	0	0	0	111.2	L369 F430 A431 V433 V459	A367-L369 PolarHBondContact O-N 3.4Å; A367-F430 WeakPolarHBondContact O-CA 3.37Å; A367-A431 PolarHBondContact N-O 3.38Å; A367-A431 PolarHBondContact O-N 3.32Å; A367-V433 HydrophobicContact CB-CG2 3.46Å; A367-V433 VanDerWaalsContact CB-CG2 3.46Å; A367-V459 HydrophobicContact CB-CG1 3.39Å
368	L	95.2	Very high	92.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.4	166.4	-170.2	151.4	0	0	0	108.4	Y311 I314 N370 F429 F430 A461 P547	Y311-L368 HydrophobicContact CE2-CD1 4.43Å; Y311-L368 WeakPolarHBondContact OH-CD1 3.39Å; I314-L368 HydrophobicContact CD1-CB 4.36Å; L368-N370 VanDerWaalsContact CD2-OD1 3.32Å; L368-N370 WeakPolarHBondContact CD2-OD1 3.44Å; L368-F429 WeakPolarHBondContact CA-O 3.45Å; L368-F430 HydrophobicContact CB-CD1 4.36Å; L368-F430 HydrophobicContact CB-CE1 4.44Å; L368-F430 HydrophobicContact CD1-CE1 4.29Å; L368-A461 HydrophobicContact CB-CB 4.32Å; L368-P547 HydrophobicContact CD1-CG 3.87Å
369	L	95.6	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.9	175.5	-60.7	-168.9	0	0	0	110.2	A367 I393 Y398 S428 F429 A431 L456 V459	A367-L369 PolarHBondContact O-N 3.4Å; L369-I393 HydrophobicContact CD1-CD1 4.08Å; L369-Y398 WeakPolarHBondContact CD1-OH 3.4Å; L369-S428 WeakPolarHBondContact O-CA 3.46Å; L369-F429 HydrophobicContact CB-CE2 4.21Å; L369-F429 HydrophobicContact CD1-CE2 4.31Å; L369-F429 PolarHBondContact N-O 3.09Å; L369-F429 PolarHBondContact O-N 3.11Å; L369-A431 HydrophobicContact CD1-CB 3.58Å; L369-A431 HydrophobicContact CG-CB 3.95Å; L369-L456 HydrophobicContact CB-CD1 4.25Å; L369-L456 HydrophobicContact CD1-CD1 4.19Å; L369-V459 HydrophobicContact CD2-CG1 4.24Å; L369-V459 HydrophobicContact CD2-CG2 3.63Å
370	N	96.3	Very high	91.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.9	170.9	-68.4	-47.1	0	0	0	109.2	L368 V426 S428 M457 D460 R463	L368-N370 VanDerWaalsContact CD2-OD1 3.32Å; L368-N370 WeakPolarHBondContact CD2-OD1 3.44Å; N370-V426 HydrophobicContact CB-CG1 3.88Å; N370-S428 WeakPolarHBondContact OD1-CB 3.41Å; N370-S428 PolarHBondContact OD1-OG 2.77Å; N370-M457 HydrophobicContact CB-CB 4.29Å; N370-M457 VanDerWaalsContact O-CB 3.28Å; N370-M457 WeakPolarHBondContact O-CB 3.48Å; N370-M457 PolarHBondContact O-N 3.43Å; N370-D460 PolarHBondContact ND2-O 3.34Å; N370-D460 PolarHBondContact ND2-OD1 2.76Å; N370-D460 PolarHBondContact ND2-OD2 3.01Å; N370-R463 VanDerWaalsContact CG-CD 3.49Å; N370-R463 WeakPolarHBondContact ND2-CD 3.44Å; N370-R463 WeakPolarHBondContact OD1-CD 3.39Å
371	V	96.4	Very high	91.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124	-177.7	173.5	0	0	0	0	109.7	L373 I393 V426 A427 F429 V440 L456	V371-L373 PolarHBondContact O-N 3.44Å; V371-I393 HydrophobicContact CG2-CD1 3.74Å; V371-V426 CarbonylContact O-C 3.47Å; V371-V426 VanDerWaalsContact O-CA 3.31Å; V371-V426 WeakPolarHBondContact O-CA 3.37Å; V371-A427 HydrophobicContact CB-CB 4.43Å; V371-A427 PolarHBondContact N-O 3.15Å; V371-A427 PolarHBondContact O-N 2.9Å; V371-F429 HydrophobicContact CG2-CE1 4.11Å; V371-F429 HydrophobicContact CG2-CZ 3.86Å; V371-V440 HydrophobicContact CG1-CB 3.93Å; V371-V440 HydrophobicContact CG1-CG1 3.93Å; V371-V440 HydrophobicContact CG1-CG2 3.79Å; V371-V440 HydrophobicContact CG2-CG2 4.25Å; V371-L456 HydrophobicContact CG2-CD1 3.8Å
372	L	96.4	Very high	91.6	Very high	39 Å²	39	41 Å²	41	20%	0.204	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.8	167.8	-173.8	153.3	0	0	0	108.6	T424 G454 S455 M457	L372-T424 HydrophobicContact CD2-CG2 4.11Å; L372-G454 CarbonylContact O-C 3.6Å; L372-G454 WeakPolarHBondContact O-CA 3.32Å; L372-S455 PolarHBondContact N-O 2.78Å; L372-S455 PolarHBondContact O-N 3.23Å; L372-M457 HydrophobicContact CB-CG 4.08Å; L372-M457 HydrophobicContact CB-SD 4.09Å
373	L	95.4	Very high	91.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.5	-174.1	-176.1	63.4	0	0	0	110.9	V371 F404 L419 T424 V425 A427 V442	V371-L373 PolarHBondContact O-N 3.44Å; L373-F404 HydrophobicContact CD2-CE1 3.99Å; L373-L419 HydrophobicContact CD2-CD1 4.06Å; L373-L419 HydrophobicContact CD2-CD2 4.33Å; L373-L419 HydrophobicContact CG-CD1 4.41Å; L373-T424 WeakPolarHBondContact O-CA 3.42Å; L373-V425 PolarHBondContact N-O 3.35Å; L373-V425 PolarHBondContact O-N 3.1Å; L373-A427 HydrophobicContact CD2-CB 4.44Å; L373-V442 HydrophobicContact CD1-CB 4.27Å; L373-V442 HydrophobicContact CD1-CG2 3.55Å; L373-V442 HydrophobicContact CD2-CG2 4.23Å
374	R	94.5	Very high	91.8	Very high	134 Å²	134	42.8 Å²	42.8	51%	0.506	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.6	169.3	-174.3	-179.1	174.6	167.9	2.7	109.9	T424 G452 T453	R374-T424 HydrophobicContact CB-CG2 4.44Å; R374-G452 CarbonylContact O-C 3.6Å; R374-G452 WeakPolarHBondContact O-CA 3.36Å; R374-T453 PolarHBondContact N-O 3.4Å; R374-T453 PolarHBondContact O-N 3.04Å; R374-T453 VanDerWaalsContact O-N 3.08Å
375	K	93	Very high	91.8	Very high	13 Å²	13	40 Å²	40	6%	0.057	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	137.1	173.6	-167.7	168	171.6	-172.5	0	110.2	C379 Q381 L419 P420 E421	K375-C379 WeakPolarHBondContact CE-O 3.26Å; K375-Q381 PolarHBondContact NZ-O 2.74Å; K375-L419 HydrophobicContact CB-CD2 3.8Å; K375-L419 HydrophobicContact CB-CG 4.09Å; K375-L419 HydrophobicContact CD-CD2 4.37Å; K375-L419 HydrophobicContact CD-CG 4.49Å; K375-L419 HydrophobicContact CG-CD2 4.03Å; K375-P420 WeakPolarHBondContact CB-O 3.48Å; K375-E421 HydrophobicContact CD-CG 4Å
376	H	89.5	Confident	91.9	Very high	30 Å²	30	41 Å²	41	14%	0.139	20%	0.204	C	C	.	.			trans	-81.9	139.4	178.7	-175.2	-102.6	0	0	0	110.3	L378 C379 L450 V451	H376-L378 PolarHBondContact ND1-N 3.21Å; H376-L378 PolarHBondContact O-N 3.2Å; H376-C379 WeakPolarHBondContact O-CB 3.08Å; H376-C379 PolarHBondContact O-N 3.44Å; H376-L450 HydrophobicContact CB-CD2 4.45Å; H376-L450 HydrophobicContact CB-CG 4.35Å; H376-V451 WeakPolarHBondContact CB-O 3.44Å; H376-V451 PolarHBondContact N-O 2.87Å
377	S	85.7	Confident	91.8	Very high	103 Å²	103	40.6 Å²	40.6	72%	0.72	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-5.3	-171.5	63.7	0	0	0	0	115.5
378	L	82	Confident	91.7	Very high	85 Å²	85	44.4 Å²	44.4	45%	0.445	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	2.5	169.9	-64	-171.5	0	0	0	113.5	P54 H376	P54-L378 HydrophobicContact CB-CD1 3.37Å; P54-L378 HydrophobicContact CB-CG 4.11Å; H376-L378 PolarHBondContact ND1-N 3.21Å; H376-L378 PolarHBondContact O-N 3.2Å
379	C	82	Confident	91.6	Very high	10 Å²	10	44.3 Å²	44.3	7%	0.068	22%	0.22	C	C	.	.			trans	-100.2	82.9	-177.9	-165.8	0	0	0	0	109.8	K375 H376 Q381	K375-C379 WeakPolarHBondContact CE-O 3.26Å; H376-C379 WeakPolarHBondContact O-CB 3.08Å; H376-C379 PolarHBondContact O-N 3.44Å; C379-Q381 PolarHBondContact O-N 3.02Å
380	D	82.7	Confident	91.5	Very high	144 Å²	144	44.6 Å²	44.6	77%	0.77	22%	0.221	S	C	*	.			trans	-71	-17.5	-179.9	-51	-41.9	0	0	0	112.6
381	Q	85.6	Confident	91.4	Very high	59 Å²	59	44.6 Å²	44.6	28%	0.276	22%	0.221	S	C	.	.	S	Bend	trans	-68.7	139.8	-175.5	-63.6	-172.7	8.9	0	0	112.1	K375 C379	K375-Q381 PolarHBondContact NZ-O 2.74Å; C379-Q381 PolarHBondContact O-N 3.02Å
382	P	91.4	Very high	91.2	Very high	8 Å²	8	45 Å²	45	5%	0.052	22%	0.223	C	C	.	.			trans	-68.2	138.8	167.8	27.5	-34.4	0	0	0	110.4	R261 V262 E265 F418	R261-P382 HydrophobicContact CB-CB 4.33Å; R261-P382 HydrophobicContact CB-CG 3.63Å; V262-P382 HydrophobicContact CG2-CG 3.77Å; E265-P382 HydrophobicContact CB-CB 4.26Å; E265-P382 WeakPolarHBondContact OE2-CB 3.43Å; P382-F418 HydrophobicContact CB-CD1 4.19Å; P382-F418 HydrophobicContact CB-CE1 4.21Å
383	I	93.5	Very high	91	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.214	C	C	.	.			trans	-128.8	120	-179.3	-58.1	174.7	0	0	0	107.2	L389 F404 F418 L419 V451	I383-L389 HydrophobicContact CG2-CD1 4Å; I383-L389 HydrophobicContact CG2-CD2 4.42Å; I383-F404 HydrophobicContact CG2-CE2 4.15Å; I383-F404 HydrophobicContact CG2-CZ 4.32Å; I383-F418 CarbonylContact O-C 3.59Å; I383-F418 WeakPolarHBondContact O-CA 3.44Å; I383-L419 HydrophobicContact CB-CB 4.28Å; I383-L419 HydrophobicContact CD1-CD2 4.41Å; I383-L419 PolarHBondContact O-N 3.31Å; I383-V451 HydrophobicContact CD1-CB 3.91Å; I383-V451 HydrophobicContact CD1-CG1 3.27Å; I383-V451 HydrophobicContact CD1-CG2 3.56Å
384	R	93.8	Very high	90.7	Very high	78 Å²	78	43.6 Å²	43.6	29%	0.294	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-88.7	146.9	-177.1	-62.7	-170.4	-58.4	-167.4	7.2	110.1	E264 K386 D387 R417 F418	E264-R384 VanDerWaalsContact CD-NH1 3.31Å; E264-R384 IonicContact OE1-NH1 2.74Å; E264-R384 PolarHBondContact OE1-NH1 2.88Å; E264-R384 VanDerWaalsContact OE2-CD 3.25Å; E264-R384 WeakPolarHBondContact OE2-CD 3.34Å; E264-R384 IonicContact OE2-CZ 3.87Å; E264-R384 IonicContact OE2-NE 2.73Å; E264-R384 IonicContact OE2-NH1 3.91Å; E264-R384 PolarHBondContact OE2-NH1 2.72Å; R384-K386 PolarHBondContact O-N 2.89Å; R384-D387 PolarHBondContact N-OD2 2.91Å; R384-D387 IonicContact NE-OD1 3.8Å; R384-D387 WeakPolarHBondContact O-CB 3.37Å; R384-D387 PolarHBondContact O-N 3.05Å; R384-R417 WeakPolarHBondContact CA-O 3.33Å; R384-F418 HydrophobicContact CG-CD1 3.89Å; R384-F418 HydrophobicContact CG-CE1 3.41Å; R384-F418 VanDerWaalsContact CG-CE1 3.41Å; R384-F418 HydrophobicContact CG-CZ 3.93Å
385	S	94.1	Very high	90.4	Very high	20 Å²	20	37.2 Å²	37.2	14%	0.14	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	130.6	164.5	-158.1	0	0	0	0	108.6	F404 E416 R417	S385-F404 PolarHBondContact OG-N 3.28Å; S385-E416 VanDerWaalsContact CB-O 3.26Å; S385-E416 WeakPolarHBondContact CB-O 3.47Å; S385-E416 PolarHBondContact OG-O 2.76Å; S385-R417 WeakPolarHBondContact CB-O 3.49Å; S385-R417 PolarHBondContact N-O 2.73Å
386	K	95.2	Very high	90.3	Very high	104 Å²	104	36.7 Å²	36.7	45%	0.452	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	7.6	-173.6	-43.6	169	-173	175.6	0	116.9	R384 S401 P402 V403	R384-K386 PolarHBondContact O-N 2.89Å; K386-S401 WeakPolarHBondContact O-CB 3.26Å; K386-S401 PolarHBondContact O-OG 3.05Å; K386-P402 WeakPolarHBondContact CA-O 3.36Å; K386-P402 PolarHBondContact N-O 3.18Å; K386-V403 HydrophobicContact CG-CG2 4.21Å
387	D	93.7	Very high	90.4	Very high	23 Å²	23	35.7 Å²	35.7	12%	0.123	19%	0.187	C	C	.	.			trans	-60	142	160.5	-79.2	-28.1	0	0	0	109.3	R261 R384 P402	R261-D387 IonicContact CZ-OD1 3.76Å; R261-D387 IonicContact CZ-OD2 3.33Å; R261-D387 VanDerWaalsContact NH1-CG 3.35Å; R261-D387 IonicContact NH1-OD1 3.9Å; R261-D387 PolarHBondContact NH1-OD1 2.84Å; R261-D387 IonicContact NH1-OD2 3.89Å; R261-D387 PolarHBondContact NH1-OD2 2.62Å; R261-D387 IonicContact NH2-OD1 3.2Å; R261-D387 PolarHBondContact NH2-OD1 3.25Å; R261-D387 IonicContact NH2-OD2 2.72Å; R384-D387 PolarHBondContact N-OD2 2.91Å; R384-D387 IonicContact NE-OD1 3.8Å; R384-D387 WeakPolarHBondContact O-CB 3.37Å; R384-D387 PolarHBondContact O-N 3.05Å; D387-P402 WeakPolarHBondContact O-CD 3.34Å
388	E	93.8	Very high	90.8	Very high	79 Å²	79	30.9 Å²	30.9	37%	0.369	15%	0.153	S	C	.	.			trans	-71.2	128.9	173	-173.6	177	-156.6	0	0	110.4	F399 R558	E388-F399 HydrophobicContact CG-CB 4.11Å; E388-R558 IonicContact OE1-CZ 2.92Å; E388-R558 IonicContact OE1-NH1 2.63Å; E388-R558 PolarHBondContact OE1-NH1 2.88Å; E388-R558 IonicContact OE1-NH2 2.77Å; E388-R558 IonicContact OE2-NH1 2.7Å
389	L	93.8	Very high	91.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.7	-177.4	-64	172.7	0	0	0	110.3	I383 F391 F399 V400 P402 F404 V442 K444 V451	I383-L389 HydrophobicContact CG2-CD1 4Å; I383-L389 HydrophobicContact CG2-CD2 4.42Å; L389-F391 HydrophobicContact CB-CD2 4.19Å; L389-F391 HydrophobicContact CB-CE2 3.89Å; L389-F391 HydrophobicContact CD1-CE2 4.4Å; L389-F391 PolarHBondContact O-N 2.92Å; L389-F399 WeakPolarHBondContact O-CA 3.48Å; L389-V400 PolarHBondContact N-O 3.5Å; L389-V400 PolarHBondContact O-N 3.05Å; L389-V400 VanDerWaalsContact O-N 3.12Å; L389-P402 HydrophobicContact CD1-CG 4.1Å; L389-F404 HydrophobicContact CD1-CZ 4.18Å; L389-V442 HydrophobicContact CB-CG1 3.87Å; L389-V442 HydrophobicContact CD1-CG1 3.89Å; L389-V442 HydrophobicContact CG-CG1 4.35Å; L389-K444 HydrophobicContact CD2-CB 4.31Å; L389-K444 HydrophobicContact CD2-CG 4.42Å; L389-V451 HydrophobicContact CD2-CG2 4.28Å
390	L	93.4	Very high	91.9	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.1	172.4	176.8	56.2	0	0	0	109.2	R397 F399 V442 F443 L448 V555	L390-R397 HydrophobicContact CD1-CB 4.35Å; L390-F399 HydrophobicContact CB-CD1 3.98Å; L390-F399 HydrophobicContact CB-CE1 3.66Å; L390-F399 HydrophobicContact CD1-CD1 4.31Å; L390-F399 HydrophobicContact CD1-CE1 4.04Å; L390-F399 HydrophobicContact CD1-CZ 4.26Å; L390-F399 HydrophobicContact CG-CE1 4.27Å; L390-V442 WeakPolarHBondContact O-CA 3.45Å; L390-F443 HydrophobicContact CB-CB 4.2Å; L390-F443 HydrophobicContact CD2-CB 4.39Å; L390-F443 HydrophobicContact CD2-CD2 4.42Å; L390-F443 HydrophobicContact CG-CD2 4.48Å; L390-F443 PolarHBondContact N-O 3Å; L390-F443 PolarHBondContact O-N 2.98Å; L390-L448 HydrophobicContact CD2-CD2 3.68Å; L390-V555 HydrophobicContact CD1-CB 4.31Å; L390-V555 HydrophobicContact CD1-CG1 3.63Å; L390-V555 HydrophobicContact CD1-CG2 3.65Å; L390-V555 HydrophobicContact CD2-CG1 4.06Å
391	F	94	Very high	92.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.4	172.3	-83.7	-105.6	0	0	0	110	L389 I393 R397 Y398 V400 P402 A427 F429 V440 V442	L389-F391 HydrophobicContact CB-CD2 4.19Å; L389-F391 HydrophobicContact CB-CE2 3.89Å; L389-F391 HydrophobicContact CD1-CE2 4.4Å; L389-F391 PolarHBondContact O-N 2.92Å; F391-I393 HydrophobicContact CB-CG1 4.43Å; F391-R397 WeakPolarHBondContact O-CA 3.4Å; F391-Y398 HydrophobicContact CB-CD2 4.06Å; F391-Y398 HydrophobicContact CB-CE2 3.76Å; F391-Y398 PolarHBondContact N-O 3.02Å; F391-Y398 PolarHBondContact O-N 3.31Å; F391-Y398 VanDerWaalsContact O-N 3.13Å; F391-V400 HydrophobicContact CB-CG2 4.18Å; F391-V400 HydrophobicContact CD2-CG2 3.3Å; F391-V400 HydrophobicContact CE2-CG2 3.83Å; F391-V400 HydrophobicContact CG-CG2 3.87Å; F391-P402 HydrophobicContact CE2-CB 4.18Å; F391-P402 HydrophobicContact CE2-CG 3.75Å; F391-P402 HydrophobicContact CZ-CB 4Å; F391-P402 HydrophobicContact CZ-CG 3.89Å; F391-A427 HydrophobicContact CE1-CB 4.37Å; F391-A427 HydrophobicContact CZ-CB 4.18Å; F391-F429 AromaticContact CD1-CE1 3.81Å; F391-F429 HydrophobicContact CD1-CE1 3.81Å; F391-F429 AromaticContact CD1-CZ 3.61Å; F391-F429 HydrophobicContact CD1-CZ 3.61Å; F391-F429 AromaticContact CE1-CE1 3.49Å; F391-F429 HydrophobicContact CE1-CE1 3.49Å; F391-F429 VanDerWaalsContact CE1-CE1 3.49Å; F391-F429 AromaticContact CE1-CZ 3.8Å; F391-F429 HydrophobicContact CE1-CZ 3.8Å; F391-F429 HydrophobicContact CE2-CE1 4.32Å; F391-F429 HydrophobicContact CG-CE1 4.36Å; F391-F429 HydrophobicContact CG-CZ 4.07Å; F391-F429 HydrophobicContact CZ-CD1 4.43Å; F391-F429 AromaticContact CZ-CE1 3.77Å; F391-F429 HydrophobicContact CZ-CE1 3.77Å; F391-F429 HydrophobicContact CZ-CZ 4.4Å; F391-V440 HydrophobicContact CD1-CG1 3.89Å; F391-V440 HydrophobicContact CE1-CG1 4.38Å; F391-V442 HydrophobicContact CD1-CG2 3.74Å; F391-V442 HydrophobicContact CD2-CG1 4.28Å; F391-V442 HydrophobicContact CE1-CG2 3.5Å; F391-V442 VanDerWaalsContact CE1-CG2 3.5Å; F391-V442 HydrophobicContact CE2-CG1 3.98Å; F391-V442 HydrophobicContact CE2-CG2 4.32Å; F391-V442 HydrophobicContact CG-CG2 4.26Å; F391-V442 HydrophobicContact CZ-CG1 4.15Å; F391-V442 HydrophobicContact CZ-CG2 3.82Å
392	Q	91.9	Very high	93.1	Very high	9 Å²	9	17.6 Å²	17.6	4%	0.042	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	102.3	167.9	-176.7	-174.4	64.5	0	0	108.2	R396 R397 V440 S441 F443	Q392-R396 WeakPolarHBondContact CA-O 3.32Å; Q392-R397 HydrophobicContact CB-CG 4.46Å; Q392-R397 HydrophobicContact CG-CG 4.2Å; Q392-R397 VanDerWaalsContact NE2-NH2 3.19Å; Q392-V440 WeakPolarHBondContact O-CA 3.36Å; Q392-S441 PolarHBondContact N-O 2.85Å; Q392-S441 PolarHBondContact O-N 2.87Å; Q392-F443 HydrophobicContact CB-CE2 4.31Å
393	I	92.1	Very high	93.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.5	178.6	-51.9	-157.4	0	0	0	108	L369 V371 F391 Y395 R396 Y398 F429 M434 A438 V440 L456	L369-I393 HydrophobicContact CD1-CD1 4.08Å; V371-I393 HydrophobicContact CG2-CD1 3.74Å; F391-I393 HydrophobicContact CB-CG1 4.43Å; I393-Y395 PolarHBondContact O-N 3.44Å; I393-Y395 VanDerWaalsContact O-N 3.07Å; I393-R396 PolarHBondContact N-O 2.98Å; I393-R396 PolarHBondContact O-N 3.06Å; I393-Y398 WeakPolarHBondContact CD1-OH 3.39Å; I393-F429 HydrophobicContact CD1-CE2 4.36Å; I393-F429 HydrophobicContact CD1-CZ 4Å; I393-M434 HydrophobicContact CG2-CE 4.37Å; I393-M434 HydrophobicContact CG2-SD 3.72Å; I393-M434 WeakPolarHBondContact O-CE 3.39Å; I393-A438 HydrophobicContact CG2-CB 4.05Å; I393-V440 HydrophobicContact CB-CG2 4.26Å; I393-V440 HydrophobicContact CD1-CG1 4.5Å; I393-V440 HydrophobicContact CD1-CG2 4.05Å; I393-V440 HydrophobicContact CG1-CG1 4.04Å; I393-V440 HydrophobicContact CG1-CG2 3.89Å; I393-V440 HydrophobicContact CG2-CG2 3.98Å; I393-L456 HydrophobicContact CD1-CD1 4.22Å; I393-L456 HydrophobicContact CG2-CB 4.43Å; I393-L456 HydrophobicContact CG2-CD1 4.42Å; I393-L456 HydrophobicContact CG2-CD2 4.04Å
394	G	88.5	Confident	93.6	Very high	9 Å²	9	17.2 Å²	17.2	9%	0.093	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-113.6	-174.7	0	0	0	0	0	111.9	K31 L115 G439	K31-G394 WeakPolarHBondContact CD-O 3.36Å; K31-G394 WeakPolarHBondContact CE-O 3.34Å; K31-G394 PolarHBondContact NZ-O 2.93Å; L115-G394 VanDerWaalsContact CD2-CA 3.47Å; G394-G439 PolarHBondContact N-O 3.36Å
395	Y	88.3	Confident	93.7	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-25.7	173	45.8	-91.3	0	0	0	113.7	L115 R119 H153 Y357 L359 E363 I393 M434	L115-Y395 HydrophobicContact CD1-CE1 4.46Å; L115-Y395 HydrophobicContact CD2-CD1 3.73Å; L115-Y395 HydrophobicContact CD2-CE1 4.16Å; L115-Y395 HydrophobicContact CG-CD1 4.32Å; L115-Y395 HydrophobicContact CG-CE1 4.3Å; R119-Y395 VanDerWaalsContact CD-CE1 3.4Å; R119-Y395 VanDerWaalsContact CD-OH 3.26Å; R119-Y395 WeakPolarHBondContact CD-OH 3.45Å; R119-Y395 PolarHBondContact NE-OH 2.82Å; H153-Y395 HydrophobicContact CB-CD2 4.34Å; H153-Y395 HydrophobicContact CB-CE2 4.22Å; H153-Y395 AromaticContact CD2-CD2 3.56Å; Y357-Y395 AromaticContact CD1-CD1 3.93Å; Y357-Y395 HydrophobicContact CD1-CD1 3.93Å; Y357-Y395 HydrophobicContact CD1-CG 4.05Å; Y357-Y395 HydrophobicContact CD2-CD2 4.29Å; Y357-Y395 AromaticContact CD2-CG 3.98Å; Y357-Y395 HydrophobicContact CD2-CG 3.98Å; Y357-Y395 HydrophobicContact CE1-CD1 4.23Å; Y357-Y395 HydrophobicContact CE1-CG 4.32Å; Y357-Y395 HydrophobicContact CE2-CG 4.27Å; Y357-Y395 HydrophobicContact CG-CD1 4.17Å; Y357-Y395 HydrophobicContact CG-CD2 4.2Å; Y357-Y395 AromaticContact CG-CG 3.86Å; Y357-Y395 HydrophobicContact CG-CG 3.86Å; L359-Y395 HydrophobicContact CD2-CE2 3.8Å; E363-Y395 PolarHBondContact OE2-OH 3.41Å; I393-Y395 PolarHBondContact O-N 3.44Å; I393-Y395 VanDerWaalsContact O-N 3.07Å; Y395-M434 HydrophobicContact CD2-CE 4.39Å; Y395-M434 HydrophobicContact CE1-CE 4.1Å; Y395-M434 HydrophobicContact CE2-CE 4Å
396	R	92.3	Very high	93.8	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.008	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.5	-179.2	-67.8	-177.4	178	-86.8	6.6	111	D159 E363 Q392 I393 Y398 M434	D159-R396 IonicContact OD1-CZ 3.39Å; D159-R396 IonicContact OD1-NH1 3.71Å; D159-R396 PolarHBondContact OD1-NH1 3.41Å; D159-R396 IonicContact OD1-NH2 3.03Å; D159-R396 IonicContact OD2-CZ 3.62Å; D159-R396 VanDerWaalsContact OD2-CZ 3.27Å; D159-R396 IonicContact OD2-NH1 2.69Å; D159-R396 PolarHBondContact OD2-NH1 2.95Å; D159-R396 IonicContact OD2-NH2 3.44Å; D159-R396 PolarHBondContact OD2-NH2 2.82Å; E363-R396 PolarHBondContact O-NH2 3.17Å; Q392-R396 WeakPolarHBondContact CA-O 3.32Å; I393-R396 PolarHBondContact N-O 2.98Å; I393-R396 PolarHBondContact O-N 3.06Å; R396-Y398 HydrophobicContact CB-CD1 4.41Å; R396-Y398 HydrophobicContact CB-CE1 4.08Å; R396-M434 HydrophobicContact CB-CE 3.98Å; R396-M434 HydrophobicContact CG-CE 3.66Å
397	R	91	Very high	93.8	Very high	8 Å²	8	14.9 Å²	14.9	3%	0.03	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.8	169.4	-61.5	-175.7	177.1	101.2	13.4	109.9	V24 D28 L390 F391 Q392 V555	V24-R397 VanDerWaalsContact CG1-NH1 3.35Å; V24-R397 PolarHBondContact O-NH2 2.91Å; D28-R397 IonicContact OD1-CZ 3.65Å; D28-R397 IonicContact OD1-NH1 3.04Å; D28-R397 IonicContact OD1-NH2 3.49Å; D28-R397 PolarHBondContact OD1-NH2 2.92Å; D28-R397 IonicContact OD2-CZ 3.76Å; D28-R397 IonicContact OD2-NH1 3.75Å; D28-R397 PolarHBondContact OD2-NH1 3.37Å; D28-R397 IonicContact OD2-NH2 3.09Å; D28-R397 PolarHBondContact OD2-NH2 2.82Å; L390-R397 HydrophobicContact CD1-CB 4.35Å; F391-R397 WeakPolarHBondContact O-CA 3.4Å; Q392-R397 HydrophobicContact CB-CG 4.46Å; Q392-R397 HydrophobicContact CG-CG 4.2Å; Q392-R397 VanDerWaalsContact NE2-NH2 3.19Å; R397-V555 HydrophobicContact CB-CB 4.31Å; R397-V555 HydrophobicContact CB-CG1 4.5Å; R397-V555 HydrophobicContact CB-CG2 3.85Å
398	Y	93.1	Very high	93.8	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.008	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	156.3	171.8	38	-102.2	0	0	0	111	L369 F391 I393 R396 V400 F429 A431 Y551 D552	L369-Y398 WeakPolarHBondContact CD1-OH 3.4Å; F391-Y398 HydrophobicContact CB-CD2 4.06Å; F391-Y398 HydrophobicContact CB-CE2 3.76Å; F391-Y398 PolarHBondContact N-O 3.02Å; F391-Y398 PolarHBondContact O-N 3.31Å; F391-Y398 VanDerWaalsContact O-N 3.13Å; I393-Y398 WeakPolarHBondContact CD1-OH 3.39Å; R396-Y398 HydrophobicContact CB-CD1 4.41Å; R396-Y398 HydrophobicContact CB-CE1 4.08Å; Y398-V400 HydrophobicContact CD2-CG1 3.78Å; Y398-V400 HydrophobicContact CD2-CG2 4.06Å; Y398-V400 HydrophobicContact CE2-CG1 4.18Å; Y398-V400 HydrophobicContact CE2-CG2 4.16Å; Y398-F429 HydrophobicContact CE2-CD2 4.37Å; Y398-F429 AromaticContact CE2-CE2 3.68Å; Y398-F429 HydrophobicContact CE2-CE2 3.68Å; Y398-F429 HydrophobicContact CE2-CZ 4.43Å; Y398-A431 HydrophobicContact CE1-CB 4.1Å; Y398-A431 HydrophobicContact CE2-CB 3.84Å; Y398-A431 WeakPolarHBondContact OH-CB 3.04Å; Y398-Y551 HydrophobicContact CD1-CD2 4.23Å; Y398-Y551 AromaticContact CD1-CE2 3.49Å; Y398-Y551 HydrophobicContact CD1-CE2 3.49Å; Y398-Y551 VanDerWaalsContact CD1-CE2 3.49Å; Y398-Y551 HydrophobicContact CD2-CD2 4.25Å; Y398-Y551 HydrophobicContact CD2-CE2 4.31Å; Y398-Y551 HydrophobicContact CE1-CE2 4.18Å; Y398-Y551 AromaticContact CG-CD2 3.86Å; Y398-Y551 HydrophobicContact CG-CD2 3.86Å; Y398-Y551 AromaticContact CG-CE2 3.54Å; Y398-Y551 HydrophobicContact CG-CE2 3.54Å; Y398-D552 CarbonylContact C-O 3.17Å; Y398-D552 WeakPolarHBondContact CA-O 3.38Å; Y398-D552 WeakPolarHBondContact CB-O 3.34Å
399	F	93.5	Very high	93.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.7	164.8	-61.9	-73.3	0	0	0	110.1	E388 L389 L390 L445 Y551 D552 V555 R558	E388-F399 HydrophobicContact CG-CB 4.11Å; L389-F399 WeakPolarHBondContact O-CA 3.48Å; L390-F399 HydrophobicContact CB-CD1 3.98Å; L390-F399 HydrophobicContact CB-CE1 3.66Å; L390-F399 HydrophobicContact CD1-CD1 4.31Å; L390-F399 HydrophobicContact CD1-CE1 4.04Å; L390-F399 HydrophobicContact CD1-CZ 4.26Å; L390-F399 HydrophobicContact CG-CE1 4.27Å; F399-L445 HydrophobicContact CD1-CD1 4.09Å; F399-L445 HydrophobicContact CD1-CD2 4.38Å; F399-L445 HydrophobicContact CD1-CG 4.24Å; F399-L445 HydrophobicContact CE1-CD1 3.8Å; F399-L445 HydrophobicContact CE1-CD2 3.31Å; F399-L445 HydrophobicContact CE1-CG 3.57Å; F399-L445 HydrophobicContact CZ-CD1 4.4Å; F399-L445 HydrophobicContact CZ-CD2 3.48Å; F399-L445 VanDerWaalsContact CZ-CD2 3.48Å; F399-L445 HydrophobicContact CZ-CG 4.22Å; F399-Y551 WeakPolarHBondContact O-CA 3.48Å; F399-D552 HydrophobicContact CB-CB 4.4Å; F399-D552 PolarHBondContact N-O 3.4Å; F399-D552 PolarHBondContact O-N 3.03Å; F399-D552 VanDerWaalsContact O-N 3.08Å; F399-V555 HydrophobicContact CD2-CG2 4.12Å; F399-V555 HydrophobicContact CE2-CB 4.19Å; F399-V555 HydrophobicContact CE2-CG1 4.22Å; F399-V555 HydrophobicContact CE2-CG2 3.93Å; F399-V555 HydrophobicContact CZ-CG1 4.18Å; F399-V555 HydrophobicContact CZ-CG2 4.49Å; F399-R558 HydrophobicContact CE2-CB 4Å; F399-R558 HydrophobicContact CE2-CG 4.3Å
400	V	95.1	Very high	93.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.5	175.2	-77.5	0	0	0	0	110.6	L389 F391 Y398 P402 F429 Y551	L389-V400 PolarHBondContact N-O 3.5Å; L389-V400 PolarHBondContact O-N 3.05Å; L389-V400 VanDerWaalsContact O-N 3.12Å; F391-V400 HydrophobicContact CB-CG2 4.18Å; F391-V400 HydrophobicContact CD2-CG2 3.3Å; F391-V400 HydrophobicContact CE2-CG2 3.83Å; F391-V400 HydrophobicContact CG-CG2 3.87Å; Y398-V400 HydrophobicContact CD2-CG1 3.78Å; Y398-V400 HydrophobicContact CD2-CG2 4.06Å; Y398-V400 HydrophobicContact CE2-CG1 4.18Å; Y398-V400 HydrophobicContact CE2-CG2 4.16Å; V400-P402 WeakPolarHBondContact O-CD 3.3Å; V400-F429 HydrophobicContact CB-CB 4.32Å; V400-F429 HydrophobicContact CB-CD2 4.17Å; V400-F429 HydrophobicContact CB-CG 4.22Å; V400-F429 HydrophobicContact CG1-CD2 3.96Å; V400-F429 HydrophobicContact CG1-CG 4.43Å; V400-F429 HydrophobicContact CG2-CD1 4.28Å; V400-F429 HydrophobicContact CG2-CD2 3.85Å; V400-F429 HydrophobicContact CG2-CE1 4.48Å; V400-F429 HydrophobicContact CG2-CE2 4.08Å; V400-F429 HydrophobicContact CG2-CG 3.96Å; V400-F429 HydrophobicContact CG2-CZ 4.37Å; V400-Y551 HydrophobicContact CG1-CD2 4.42Å
401	S	95.7	Very high	93.7	Very high	20 Å²	20	26.6 Å²	26.6	14%	0.14	15%	0.145	C	C	.	.			trans	-99.3	90.2	169.8	-66.5	0	0	0	0	111.3	K386 T550	K386-S401 WeakPolarHBondContact O-CB 3.26Å; K386-S401 PolarHBondContact O-OG 3.05Å; S401-T550 PolarHBondContact N-OG1 2.82Å
402	P	96.9	Very high	93.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-67	144.6	-178.1	29.9	-39.3	0	0	0	113	K386 D387 L389 F391 V400 F404 A427 F429	K386-P402 WeakPolarHBondContact CA-O 3.36Å; K386-P402 PolarHBondContact N-O 3.18Å; D387-P402 WeakPolarHBondContact O-CD 3.34Å; L389-P402 HydrophobicContact CD1-CG 4.1Å; F391-P402 HydrophobicContact CE2-CB 4.18Å; F391-P402 HydrophobicContact CE2-CG 3.75Å; F391-P402 HydrophobicContact CZ-CB 4Å; F391-P402 HydrophobicContact CZ-CG 3.89Å; V400-P402 WeakPolarHBondContact O-CD 3.3Å; P402-F404 HydrophobicContact CB-CD1 4.44Å; P402-F404 HydrophobicContact CB-CE1 4.01Å; P402-F404 HydrophobicContact CG-CE1 3.72Å; P402-F404 HydrophobicContact CG-CZ 3.88Å; P402-A427 HydrophobicContact CB-CB 3.89Å; P402-F429 HydrophobicContact CB-CD1 3.82Å; P402-F429 HydrophobicContact CB-CE1 4.44Å
403	V	97.4	Very high	94	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.4	162	180	0	0	0	0	108.7	K386 V415 S428 I465 V545 P547	K386-V403 HydrophobicContact CG-CG2 4.21Å; V403-V415 HydrophobicContact CG1-CG2 4.27Å; V403-S428 PolarHBondContact N-O 3.49Å; V403-S428 PolarHBondContact O-N 3.13Å; V403-I465 HydrophobicContact CG1-CG2 3.93Å; V403-V545 HydrophobicContact CG1-CG1 4.17Å; V403-V545 HydrophobicContact CG2-CG1 4.32Å; V403-P547 HydrophobicContact CG2-CB 4.12Å
404	F	97.2	Very high	94.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.5	176.3	-64.1	-37.9	0	0	0	111.8	L373 I383 S385 L389 P402 V415 E416 L419 V425 A427	L373-F404 HydrophobicContact CD2-CE1 3.99Å; I383-F404 HydrophobicContact CG2-CE2 4.15Å; I383-F404 HydrophobicContact CG2-CZ 4.32Å; S385-F404 PolarHBondContact OG-N 3.28Å; L389-F404 HydrophobicContact CD1-CZ 4.18Å; P402-F404 HydrophobicContact CB-CD1 4.44Å; P402-F404 HydrophobicContact CB-CE1 4.01Å; P402-F404 HydrophobicContact CG-CE1 3.72Å; P402-F404 HydrophobicContact CG-CZ 3.88Å; F404-V415 WeakPolarHBondContact O-CA 3.4Å; F404-E416 HydrophobicContact CB-CB 4.45Å; F404-E416 PolarHBondContact O-N 2.68Å; F404-L419 HydrophobicContact CD1-CD1 4.44Å; F404-L419 HydrophobicContact CD2-CB 4.36Å; F404-L419 HydrophobicContact CE1-CD1 4.31Å; F404-L419 HydrophobicContact CE2-CB 4.02Å; F404-L419 HydrophobicContact CZ-CB 4.44Å; F404-L419 HydrophobicContact CZ-CD1 4.38Å; F404-V425 HydrophobicContact CB-CG1 3.62Å; F404-V425 HydrophobicContact CD1-CG1 3.92Å; F404-V425 HydrophobicContact CG-CG1 4Å; F404-A427 HydrophobicContact CD1-CB 3.97Å; F404-A427 HydrophobicContact CE1-CB 3.97Å
405	S	96.9	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.6	178.7	66.1	0	0	0	0	112.7	K414 V425 V426	S405-K414 CarbonylContact C-O 3.47Å; S405-K414 VanDerWaalsContact CA-O 3.26Å; S405-K414 WeakPolarHBondContact CA-O 3.4Å; S405-V425 WeakPolarHBondContact O-CG1 3.47Å; S405-V426 PolarHBondContact N-O 3.36Å; S405-V426 PolarHBondContact O-N 3.2Å; S405-V426 PolarHBondContact OG-O 2.88Å
406	Q	95.8	Very high	95	Very high	64 Å²	64	29.8 Å²	29.8	30%	0.299	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138.8	177.8	-68.5	-175.4	-14.2	0	0	112.5	T408 K414 E416 R463	Q406-T408 HydrophobicContact CB-CG2 4.19Å; Q406-T408 PolarHBondContact O-N 3.08Å; Q406-T408 VanDerWaalsContact O-N 3.14Å; Q406-K414 HydrophobicContact CG-CB 4.17Å; Q406-K414 PolarHBondContact N-O 3.02Å; Q406-E416 HydrophobicContact CG-CG 4.1Å; Q406-E416 WeakPolarHBondContact CG-OE1 3.43Å; Q406-E416 PolarHBondContact NE2-OE1 3.43Å; Q406-R463 PolarHBondContact O-NH2 2.87Å
407	H	95.3	Very high	95.1	Very high	88 Å²	88	32.8 Å²	32.8	41%	0.407	17%	0.169	S	C	.	.			trans	-83.2	83.6	172.2	-174.1	-109	0	0	0	110.5	V426	H407-V426 HydrophobicContact CB-CG2 3.94Å
408	T	94	Very high	95.3	Very high	52 Å²	52	33.3 Å²	33.3	32%	0.319	17%	0.172	S	C	.	.			trans	-114.9	159.5	176.2	53.6	0	0	0	0	111.4	Q406 A410 H413	Q406-T408 HydrophobicContact CB-CG2 4.19Å; Q406-T408 PolarHBondContact O-N 3.08Å; Q406-T408 VanDerWaalsContact O-N 3.14Å; T408-A410 VanDerWaalsContact C-N 3.35Å; T408-H413 PolarHBondContact O-CE1 3.06Å; T408-H413 VanDerWaalsContact O-CE1 3.23Å; T408-H413 PolarHBondContact OG1-ND1 2.87Å
409	I	93.1	Very high	95.3	Very high	185 Å²	185	33.2 Å²	33.2	95%	0.949	17%	0.172	S	C	*	.	S	Bend	trans	-82	-15	175.6	-61.6	167.6	0	0	0	111.9
410	A	92	Very high	95.3	Very high	41 Å²	41	34.9 Å²	34.9	34%	0.339	18%	0.183	S	C	.	.	S	Bend	trans	-65.6	163.9	178.8	0	0	0	0	0	112.6	T408 K412 H413	T408-A410 VanDerWaalsContact C-N 3.35Å; A410-K412 VanDerWaalsContact C-N 3.34Å; A410-H413 PolarHBondContact O-CE1 3.1Å; A410-H413 PolarHBondContact O-NE2 3.13Å
411	D	92.8	Very high	95	Very high	76 Å²	76	39.3 Å²	39.3	41%	0.406	20%	0.203	S	C	.	.	S	Bend	trans	-65.1	-33.7	173.3	62.1	-31.5	0	0	0	113.6
412	K	95.6	Very high	94.6	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.6	-177.7	-63.5	166	-60.7	-76.8	0	110.8	F296 R297 S299 W301 A410 V464 L466	F296-K412 HydrophobicContact CE1-CB 4.21Å; F296-K412 HydrophobicContact CE2-CB 4.47Å; F296-K412 HydrophobicContact CZ-CB 3.95Å; F296-K412 WeakPolarHBondContact O-CE 3.38Å; R297-K412 PolarHBondContact O-NZ 2.88Å; R297-K412 VanDerWaalsContact O-NZ 3.11Å; S299-K412 WeakPolarHBondContact O-CE 3.46Å; S299-K412 PolarHBondContact O-NZ 3.48Å; W301-K412 HydrophobicContact CB-CD 3.84Å; W301-K412 HydrophobicContact CB-CG 4.17Å; A410-K412 VanDerWaalsContact C-N 3.34Å; K412-V464 HydrophobicContact CG-CB 4.42Å; K412-V464 HydrophobicContact CG-CG1 4.32Å; K412-L466 HydrophobicContact CB-CD1 4.05Å; K412-L466 HydrophobicContact CD-CD1 3.94Å; K412-L466 HydrophobicContact CG-CD1 3.97Å
413	H	96.7	Very high	94.4	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.7	179.6	-50.1	-72.3	0	0	0	110.4	T408 A410 R463 V464 I465 L466	T408-H413 PolarHBondContact O-CE1 3.06Å; T408-H413 VanDerWaalsContact O-CE1 3.23Å; T408-H413 PolarHBondContact OG1-ND1 2.87Å; A410-H413 PolarHBondContact O-CE1 3.1Å; A410-H413 PolarHBondContact O-NE2 3.13Å; H413-R463 VanDerWaalsContact CD2-CG 3.44Å; H413-R463 WeakPolarHBondContact CD2-CG 3.5Å; H413-R463 PolarHBondContact CD2-NH2 3.25Å; H413-R463 PolarHBondContact CE1-NH1 3.16Å; H413-R463 PolarHBondContact CE1-NH2 3.28Å; H413-R463 PolarHBondContact ND1-NH2 3.48Å; H413-R463 VanDerWaalsContact NE2-CZ 3.27Å; H413-R463 PolarHBondContact NE2-NH1 3.21Å; H413-V464 PolarHBondContact N-O 2.93Å; H413-I465 WeakPolarHBondContact O-CA 3.15Å; H413-L466 PolarHBondContact O-N 2.73Å
414	K	96.8	Very high	94.3	Very high	24 Å²	24	50.5 Å²	50.5	10%	0.104	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	134.7	176.1	-170.9	-140	169	-158	0	109.4	D273 F296 S405 Q406 E416 L466	D273-K414 IonicContact OD1-NZ 3.72Å; D273-K414 WeakPolarHBondContact OD2-CE 3.42Å; D273-K414 IonicContact OD2-NZ 2.72Å; D273-K414 PolarHBondContact OD2-NZ 2.82Å; F296-K414 HydrophobicContact CE1-CB 4.47Å; F296-K414 HydrophobicContact CZ-CB 4.07Å; S405-K414 CarbonylContact C-O 3.47Å; S405-K414 VanDerWaalsContact CA-O 3.26Å; S405-K414 WeakPolarHBondContact CA-O 3.4Å; Q406-K414 HydrophobicContact CG-CB 4.17Å; Q406-K414 PolarHBondContact N-O 3.02Å; K414-E416 IonicContact NZ-OE2 3.85Å; K414-E416 PolarHBondContact NZ-OE2 3.26Å; K414-L466 CarbonylContact C-O 3.24Å; K414-L466 WeakPolarHBondContact CA-O 3.36Å
415	V	97.2	Very high	94.2	Very high	12 Å²	12	50.7 Å²	50.7	7%	0.073	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-64.8	138.5	167.9	172.2	0	0	0	0	109.6	V403 F404 I465 L466 K467 V545	V403-V415 HydrophobicContact CG1-CG2 4.27Å; F404-V415 WeakPolarHBondContact O-CA 3.4Å; V415-I465 HydrophobicContact CG2-CG2 3.32Å; V415-L466 PolarHBondContact N-O 3.03Å; V415-K467 HydrophobicContact CB-CB 4.35Å; V415-K467 HydrophobicContact CG2-CB 4.14Å; V415-V545 HydrophobicContact CG2-CB 4.28Å; V415-V545 HydrophobicContact CG2-CG2 4.45Å
416	E	95.9	Very high	94.2	Very high	38 Å²	38	50.7 Å²	50.7	18%	0.178	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-101.6	137	163	-60.1	-62.3	-174.7	0	0	109.8	S385 F404 Q406 K414 V425	S385-E416 VanDerWaalsContact CB-O 3.26Å; S385-E416 WeakPolarHBondContact CB-O 3.47Å; S385-E416 PolarHBondContact OG-O 2.76Å; F404-E416 HydrophobicContact CB-CB 4.45Å; F404-E416 PolarHBondContact O-N 2.68Å; Q406-E416 HydrophobicContact CG-CG 4.1Å; Q406-E416 WeakPolarHBondContact CG-OE1 3.43Å; Q406-E416 PolarHBondContact NE2-OE1 3.43Å; K414-E416 IonicContact NZ-OE2 3.85Å; K414-E416 PolarHBondContact NZ-OE2 3.26Å; E416-V425 HydrophobicContact CG-CG2 4.5Å
417	R	95.1	Very high	94.3	Very high	65 Å²	65	47.6 Å²	47.6	25%	0.245	26%	0.257	C	S	.	.	S	Bend	trans	-76.6	-32.9	180	-57.1	-164.7	-171.5	166.7	-18.6	111.8	D268 D273 E274 I275 R384 S385	D268-R417 WeakPolarHBondContact OD1-CD 3.25Å; D268-R417 IonicContact OD1-CZ 2.71Å; D268-R417 IonicContact OD1-NE 2.74Å; D268-R417 PolarHBondContact OD1-NE 2.66Å; D268-R417 IonicContact OD1-NH1 3.58Å; D268-R417 PolarHBondContact OD1-NH1 2.86Å; D273-R417 PolarHBondContact O-NH2 3.03Å; D273-R417 VanDerWaalsContact O-NH2 3.14Å; D273-R417 IonicContact OD1-NE 3.53Å; E274-R417 PolarHBondContact O-NH2 2.99Å; E274-R417 VanDerWaalsContact O-NH2 3.08Å; I275-R417 VanDerWaalsContact CG1-NH2 3.35Å; R384-R417 WeakPolarHBondContact CA-O 3.33Å; S385-R417 WeakPolarHBondContact CB-O 3.49Å; S385-R417 PolarHBondContact N-O 2.73Å
418	F	94.9	Very high	94.4	Very high	19 Å²	19	43.4 Å²	43.4	8%	0.083	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-123.5	158.7	178.2	-68.3	-92.4	0	0	0	111.5	E264 E265 D268 P382 I383 R384 P420	E264-F418 HydrophobicContact CB-CE2 4.35Å; E264-F418 HydrophobicContact CB-CZ 3.64Å; E265-F418 HydrophobicContact CB-CD1 3.88Å; E265-F418 HydrophobicContact CB-CD2 4.39Å; E265-F418 HydrophobicContact CB-CE1 3.8Å; E265-F418 HydrophobicContact CB-CE2 4.36Å; E265-F418 HydrophobicContact CB-CG 4.19Å; E265-F418 HydrophobicContact CB-CZ 4.09Å; E265-F418 HydrophobicContact CG-CB 4.26Å; E265-F418 HydrophobicContact CG-CD1 3.93Å; E265-F418 HydrophobicContact CG-CD2 4.34Å; E265-F418 HydrophobicContact CG-CE1 4.37Å; E265-F418 HydrophobicContact CG-CG 3.92Å; D268-F418 HydrophobicContact CB-CD2 4.06Å; D268-F418 HydrophobicContact CB-CE2 3.98Å; P382-F418 HydrophobicContact CB-CD1 4.19Å; P382-F418 HydrophobicContact CB-CE1 4.21Å; I383-F418 CarbonylContact O-C 3.59Å; I383-F418 WeakPolarHBondContact O-CA 3.44Å; R384-F418 HydrophobicContact CG-CD1 3.89Å; R384-F418 HydrophobicContact CG-CE1 3.41Å; R384-F418 VanDerWaalsContact CG-CE1 3.41Å; R384-F418 HydrophobicContact CG-CZ 3.93Å; F418-P420 VanDerWaalsContact O-CD 3.29Å; F418-P420 WeakPolarHBondContact O-CD 3.22Å
419	L	94.3	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.			trans	-79.2	111.6	170.2	-173.6	71.4	0	0	0	110.1	L373 K375 I383 F404 V425 V451	L373-L419 HydrophobicContact CD2-CD1 4.06Å; L373-L419 HydrophobicContact CD2-CD2 4.33Å; L373-L419 HydrophobicContact CG-CD1 4.41Å; K375-L419 HydrophobicContact CB-CD2 3.8Å; K375-L419 HydrophobicContact CB-CG 4.09Å; K375-L419 HydrophobicContact CD-CD2 4.37Å; K375-L419 HydrophobicContact CD-CG 4.49Å; K375-L419 HydrophobicContact CG-CD2 4.03Å; I383-L419 HydrophobicContact CB-CB 4.28Å; I383-L419 HydrophobicContact CD1-CD2 4.41Å; I383-L419 PolarHBondContact O-N 3.31Å; F404-L419 HydrophobicContact CD1-CD1 4.44Å; F404-L419 HydrophobicContact CD2-CB 4.36Å; F404-L419 HydrophobicContact CE1-CD1 4.31Å; F404-L419 HydrophobicContact CE2-CB 4.02Å; F404-L419 HydrophobicContact CZ-CB 4.44Å; F404-L419 HydrophobicContact CZ-CD1 4.38Å; L419-V425 HydrophobicContact CD1-CB 4.17Å; L419-V425 HydrophobicContact CD1-CG1 4.28Å; L419-V451 HydrophobicContact CD2-CG1 4.09Å
420	P	92.7	Very high	94.7	Very high	36 Å²	36	32.2 Å²	32.2	23%	0.234	18%	0.178	C	C	.	.			trans	-70.4	150.8	-178.7	30.8	-36	0	0	0	112	K375 F418 A423 V425	K375-P420 WeakPolarHBondContact CB-O 3.48Å; F418-P420 VanDerWaalsContact O-CD 3.29Å; F418-P420 WeakPolarHBondContact O-CD 3.22Å; P420-A423 HydrophobicContact CB-CB 4.2Å; P420-A423 HydrophobicContact CG-CB 3.84Å; P420-V425 HydrophobicContact CG-CG2 3.56Å
421	E	89.5	Confident	94.8	Very high	92 Å²	92	30.3 Å²	30.3	43%	0.43	16%	0.162	S	C	.	.	S	Bend	trans	-72.7	-45.2	-176.8	-67.7	151.8	-131.7	0	0	113.3	K269 K375	K269-E421 IonicContact NZ-OE1 3.1Å; K269-E421 PolarHBondContact NZ-OE1 3.25Å; K375-E421 HydrophobicContact CD-CG 4Å
422	N	87.4	Confident	95	Very high	145 Å²	145	26.9 Å²	26.9	78%	0.775	14%	0.144	S	C	*	.	S	Bend	trans	-103.5	-3.5	-170	-71.5	-35.7	0	0	0	114.7
423	A	91.5	Very high	94.9	Very high	49 Å²	49	26.7 Å²	26.7	41%	0.405	14%	0.143	S	C	.	.	S	Bend	trans	-112.1	153.7	-177.5	0	0	0	0	0	112.7	P420	P420-A423 HydrophobicContact CB-CB 4.2Å; P420-A423 HydrophobicContact CG-CB 3.84Å
424	T	95	Very high	94.8	Very high	63 Å²	63	26.3 Å²	26.3	39%	0.387	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.9	170.5	52.3	0	0	0	0	110.4	L372 L373 R374	L372-T424 HydrophobicContact CD2-CG2 4.11Å; L373-T424 WeakPolarHBondContact O-CA 3.42Å; R374-T424 HydrophobicContact CB-CG2 4.44Å
425	V	96.4	Very high	94.6	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.2	-176.4	159.9	0	0	0	0	109.4	L373 F404 S405 E416 L419 P420	L373-V425 PolarHBondContact N-O 3.35Å; L373-V425 PolarHBondContact O-N 3.1Å; F404-V425 HydrophobicContact CB-CG1 3.62Å; F404-V425 HydrophobicContact CD1-CG1 3.92Å; F404-V425 HydrophobicContact CG-CG1 4Å; S405-V425 WeakPolarHBondContact O-CG1 3.47Å; E416-V425 HydrophobicContact CG-CG2 4.5Å; L419-V425 HydrophobicContact CD1-CB 4.17Å; L419-V425 HydrophobicContact CD1-CG1 4.28Å; P420-V425 HydrophobicContact CG-CG2 3.56Å
426	V	97.3	Very high	94.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.3	170.5	-175.3	0	0	0	0	109.3	N370 V371 S405 H407 M457	N370-V426 HydrophobicContact CB-CG1 3.88Å; V371-V426 CarbonylContact O-C 3.47Å; V371-V426 VanDerWaalsContact O-CA 3.31Å; V371-V426 WeakPolarHBondContact O-CA 3.37Å; S405-V426 PolarHBondContact N-O 3.36Å; S405-V426 PolarHBondContact O-N 3.2Å; S405-V426 PolarHBondContact OG-O 2.88Å; H407-V426 HydrophobicContact CB-CG2 3.94Å; V426-M457 HydrophobicContact CG1-SD 3.99Å; V426-M457 HydrophobicContact CG2-SD 3.7Å
427	A	97.1	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.9	170.3	0	0	0	0	0	109.5	V371 L373 F391 P402 F404 F429	V371-A427 HydrophobicContact CB-CB 4.43Å; V371-A427 PolarHBondContact N-O 3.15Å; V371-A427 PolarHBondContact O-N 2.9Å; L373-A427 HydrophobicContact CD2-CB 4.44Å; F391-A427 HydrophobicContact CE1-CB 4.37Å; F391-A427 HydrophobicContact CZ-CB 4.18Å; P402-A427 HydrophobicContact CB-CB 3.89Å; F404-A427 HydrophobicContact CD1-CB 3.97Å; F404-A427 HydrophobicContact CE1-CB 3.97Å; A427-F429 HydrophobicContact CB-CE1 4.27Å
428	S	97	Very high	93.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.3	-177.1	-58.6	0	0	0	0	111.1	L369 N370 V403 I465	L369-S428 WeakPolarHBondContact O-CA 3.46Å; N370-S428 WeakPolarHBondContact OD1-CB 3.41Å; N370-S428 PolarHBondContact OD1-OG 2.77Å; V403-S428 PolarHBondContact N-O 3.49Å; V403-S428 PolarHBondContact O-N 3.13Å; S428-I465 VanDerWaalsContact CB-CD1 3.5Å; S428-I465 WeakPolarHBondContact OG-CD1 3.31Å
429	F	96.6	Very high	93.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	167.1	-178.7	49	-90.4	0	0	0	111.8	L368 L369 V371 F391 I393 Y398 V400 P402 A427 A431	L368-F429 WeakPolarHBondContact CA-O 3.45Å; L369-F429 HydrophobicContact CB-CE2 4.21Å; L369-F429 HydrophobicContact CD1-CE2 4.31Å; L369-F429 PolarHBondContact N-O 3.09Å; L369-F429 PolarHBondContact O-N 3.11Å; V371-F429 HydrophobicContact CG2-CE1 4.11Å; V371-F429 HydrophobicContact CG2-CZ 3.86Å; F391-F429 AromaticContact CD1-CE1 3.81Å; F391-F429 HydrophobicContact CD1-CE1 3.81Å; F391-F429 AromaticContact CD1-CZ 3.61Å; F391-F429 HydrophobicContact CD1-CZ 3.61Å; F391-F429 AromaticContact CE1-CE1 3.49Å; F391-F429 HydrophobicContact CE1-CE1 3.49Å; F391-F429 VanDerWaalsContact CE1-CE1 3.49Å; F391-F429 AromaticContact CE1-CZ 3.8Å; F391-F429 HydrophobicContact CE1-CZ 3.8Å; F391-F429 HydrophobicContact CE2-CE1 4.32Å; F391-F429 HydrophobicContact CG-CE1 4.36Å; F391-F429 HydrophobicContact CG-CZ 4.07Å; F391-F429 HydrophobicContact CZ-CD1 4.43Å; F391-F429 AromaticContact CZ-CE1 3.77Å; F391-F429 HydrophobicContact CZ-CE1 3.77Å; F391-F429 HydrophobicContact CZ-CZ 4.4Å; I393-F429 HydrophobicContact CD1-CE2 4.36Å; I393-F429 HydrophobicContact CD1-CZ 4Å; Y398-F429 HydrophobicContact CE2-CD2 4.37Å; Y398-F429 AromaticContact CE2-CE2 3.68Å; Y398-F429 HydrophobicContact CE2-CE2 3.68Å; Y398-F429 HydrophobicContact CE2-CZ 4.43Å; V400-F429 HydrophobicContact CB-CB 4.32Å; V400-F429 HydrophobicContact CB-CD2 4.17Å; V400-F429 HydrophobicContact CB-CG 4.22Å; V400-F429 HydrophobicContact CG1-CD2 3.96Å; V400-F429 HydrophobicContact CG1-CG 4.43Å; V400-F429 HydrophobicContact CG2-CD1 4.28Å; V400-F429 HydrophobicContact CG2-CD2 3.85Å; V400-F429 HydrophobicContact CG2-CE1 4.48Å; V400-F429 HydrophobicContact CG2-CE2 4.08Å; V400-F429 HydrophobicContact CG2-CG 3.96Å; V400-F429 HydrophobicContact CG2-CZ 4.37Å; P402-F429 HydrophobicContact CB-CD1 3.82Å; P402-F429 HydrophobicContact CB-CE1 4.44Å; A427-F429 HydrophobicContact CB-CE1 4.27Å; F429-A431 HydrophobicContact CD2-CB 3.9Å; F429-A431 HydrophobicContact CE2-CB 3.85Å
430	F	96.5	Very high	93.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.8	173.2	-57.5	-60.1	0	0	0	110.9	D310 Y311 I314 M366 A367 L368 P547 W549	D310-F430 HydrophobicContact CB-CE2 4.04Å; D310-F430 HydrophobicContact CB-CZ 4.04Å; Y311-F430 HydrophobicContact CD2-CE1 4.12Å; Y311-F430 AromaticContact CD2-CZ 3.91Å; Y311-F430 HydrophobicContact CD2-CZ 3.91Å; Y311-F430 AromaticContact CE2-CE1 3.91Å; Y311-F430 HydrophobicContact CE2-CE1 3.91Å; Y311-F430 AromaticContact CE2-CZ 3.74Å; Y311-F430 HydrophobicContact CE2-CZ 3.74Å; I314-F430 HydrophobicContact CD1-CE1 4.14Å; I314-F430 HydrophobicContact CG2-CD1 3.91Å; I314-F430 HydrophobicContact CG2-CE1 4.14Å; M366-F430 HydrophobicContact CE-CB 4.23Å; A367-F430 WeakPolarHBondContact O-CA 3.37Å; L368-F430 HydrophobicContact CB-CD1 4.36Å; L368-F430 HydrophobicContact CB-CE1 4.44Å; L368-F430 HydrophobicContact CD1-CE1 4.29Å; F430-P547 HydrophobicContact CD2-CG 4.27Å; F430-P547 HydrophobicContact CE1-CG 4.21Å; F430-P547 HydrophobicContact CE2-CB 4.43Å; F430-P547 HydrophobicContact CE2-CG 3.93Å; F430-P547 WeakPolarHBondContact CE2-O 3.48Å; F430-P547 HydrophobicContact CZ-CG 3.91Å; F430-W549 HydrophobicContact CB-CE3 4.04Å; F430-W549 HydrophobicContact CB-CZ3 4.31Å; F430-W549 HydrophobicContact CD2-CB 4.32Å; F430-W549 HydrophobicContact CD2-CD2 4.47Å; F430-W549 AromaticContact CD2-CE3 3.83Å; F430-W549 HydrophobicContact CD2-CE3 3.83Å; F430-W549 HydrophobicContact CE2-CE3 4.4Å; F430-W549 AromaticContact CG-CE3 3.93Å; F430-W549 HydrophobicContact CG-CE3 3.93Å; F430-W549 HydrophobicContact CG-CZ3 4.32Å
431	A	95.6	Very high	93.5	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	165.8	176.2	0	0	0	0	0	111	M366 A367 L369 Y398 F429 Y551	M366-A431 VanDerWaalsContact SD-C 3.51Å; A367-A431 PolarHBondContact N-O 3.38Å; A367-A431 PolarHBondContact O-N 3.32Å; L369-A431 HydrophobicContact CD1-CB 3.58Å; L369-A431 HydrophobicContact CG-CB 3.95Å; Y398-A431 HydrophobicContact CE1-CB 4.1Å; Y398-A431 HydrophobicContact CE2-CB 3.84Å; Y398-A431 WeakPolarHBondContact OH-CB 3.04Å; F429-A431 HydrophobicContact CD2-CB 3.9Å; F429-A431 HydrophobicContact CE2-CB 3.85Å; A431-Y551 HydrophobicContact CB-CD2 4.4Å
432	P	95.5	Very high	93.6	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.026	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	141.4	174.7	-23.1	32.7	0	0	0	111.8	E363 K365 M366 M434 Y551	E363-P432 WeakPolarHBondContact O-CB 3.43Å; K365-P432 WeakPolarHBondContact O-CA 3.32Å; M366-P432 HydrophobicContact SD-CB 4.46Å; M366-P432 VanDerWaalsContact SD-CD 3.54Å; M366-P432 HydrophobicContact SD-CG 3.78Å; M366-P432 VanDerWaalsContact SD-N 3.43Å; P432-M434 PolarHBondContact O-N 2.85Å; P432-Y551 HydrophobicContact CG-CE2 3.89Å; P432-Y551 WeakPolarHBondContact CG-OH 3.47Å
433	V	94.8	Very high	93.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.102	C	C	.	.			trans	-56.4	136.6	179.1	171.3	0	0	0	0	110.6	F317 E363 K365 A367 F435 V459	F317-V433 HydrophobicContact CE2-CG1 4.27Å; F317-V433 HydrophobicContact CE2-CG2 3.75Å; F317-V433 HydrophobicContact CZ-CG1 4.16Å; F317-V433 HydrophobicContact CZ-CG2 4.01Å; E363-V433 CarbonylContact C-O 3.44Å; E363-V433 VanDerWaalsContact CA-O 3.23Å; E363-V433 WeakPolarHBondContact CA-O 3.46Å; E363-V433 VanDerWaalsContact CB-O 3.27Å; E363-V433 WeakPolarHBondContact CB-O 3.24Å; E363-V433 WeakPolarHBondContact CG-O 3.49Å; E363-V433 PolarHBondContact O-N 3.09Å; K365-V433 WeakPolarHBondContact O-CG2 3.41Å; K365-V433 PolarHBondContact O-N 3.12Å; A367-V433 HydrophobicContact CB-CG2 3.46Å; A367-V433 VanDerWaalsContact CB-CG2 3.46Å; V433-F435 HydrophobicContact CG1-CE1 4.38Å; V433-F435 HydrophobicContact CG1-CE2 4.34Å; V433-F435 HydrophobicContact CG1-CZ 4.12Å; V433-V459 HydrophobicContact CG2-CG1 4.49Å
434	M	93.6	Very high	93.5	Very high	1 Å²	1	14 Å²	14	1%	0.005	9%	0.092	C	C	.	.			trans	-134.1	135.4	165.6	-177.3	172.4	-61.4	0	0	109.1	L115 I393 Y395 R396 P432 P436 A438 L456	L115-M434 HydrophobicContact CD1-SD 4.29Å; I393-M434 HydrophobicContact CG2-CE 4.37Å; I393-M434 HydrophobicContact CG2-SD 3.72Å; I393-M434 WeakPolarHBondContact O-CE 3.39Å; Y395-M434 HydrophobicContact CD2-CE 4.39Å; Y395-M434 HydrophobicContact CE1-CE 4.1Å; Y395-M434 HydrophobicContact CE2-CE 4Å; R396-M434 HydrophobicContact CB-CE 3.98Å; R396-M434 HydrophobicContact CG-CE 3.66Å; P432-M434 PolarHBondContact O-N 2.85Å; M434-P436 WeakPolarHBondContact O-CD 2.78Å; M434-A438 HydrophobicContact CG-CB 4.26Å; M434-A438 HydrophobicContact SD-CB 3.61Å; M434-L456 HydrophobicContact CB-CD2 3.78Å; M434-L456 HydrophobicContact CG-CD2 4.14Å; M434-L456 VanDerWaalsContact O-CD2 3.23Å; M434-L456 WeakPolarHBondContact O-CD2 3.39Å
435	F	92.7	Very high	92.7	Very high	2 Å²	2	13 Å²	13	1%	0.009	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-81.1	121.7	177.8	-64.4	-73.8	0	0	0	111.4	R119 F320 K324 I327 L360 P361 E363 V433	R119-F435 PolarHBondContact NH2-O 3.1Å; R119-F435 VanDerWaalsContact NH2-O 3.15Å; F320-F435 HydrophobicContact CD2-CE1 4.49Å; F320-F435 AromaticContact CE2-CD1 3.8Å; F320-F435 HydrophobicContact CE2-CD1 3.8Å; F320-F435 AromaticContact CE2-CE1 3.71Å; F320-F435 HydrophobicContact CE2-CE1 3.71Å; F320-F435 AromaticContact CZ-CD1 3.72Å; F320-F435 HydrophobicContact CZ-CD1 3.72Å; F320-F435 HydrophobicContact CZ-CE1 4.13Å; K324-F435 HydrophobicContact CB-CD1 3.81Å; K324-F435 HydrophobicContact CB-CE1 4.24Å; K324-F435 HydrophobicContact CG-CB 4.41Å; K324-F435 HydrophobicContact CG-CD1 3.97Å; I327-F435 HydrophobicContact CD1-CE1 4.07Å; I327-F435 HydrophobicContact CD1-CE2 3.98Å; I327-F435 HydrophobicContact CD1-CZ 3.42Å; I327-F435 VanDerWaalsContact CD1-CZ 3.42Å; I327-F435 HydrophobicContact CG2-CE2 4.18Å; L360-F435 HydrophobicContact CB-CD2 4.01Å; L360-F435 HydrophobicContact CB-CE2 4.1Å; L360-F435 HydrophobicContact CD1-CD2 3.86Å; P361-F435 WeakPolarHBondContact O-CE2 3.46Å; E363-F435 HydrophobicContact CG-CD2 3.7Å; E363-F435 HydrophobicContact CG-CE2 3.69Å; E363-F435 PolarHBondContact OE1-N 3.24Å; V433-F435 HydrophobicContact CG1-CE1 4.38Å; V433-F435 HydrophobicContact CG1-CE2 4.34Å; V433-F435 HydrophobicContact CG1-CZ 4.12Å
436	P	92.2	Very high	91.5	Very high	12 Å²	12	14.6 Å²	14.6	8%	0.078	10%	0.101	C	C	.	.	S	Bend	trans	-62.5	155.8	173.4	-20.2	31.4	0	0	0	111.8	F320 K324 M434 L456 M457	F320-P436 HydrophobicContact CE1-CG 4.21Å; K324-P436 WeakPolarHBondContact CE-O 3.49Å; K324-P436 PolarHBondContact NZ-O 3.34Å; M434-P436 WeakPolarHBondContact O-CD 2.78Å; P436-L456 HydrophobicContact CG-CB 4.5Å; P436-L456 HydrophobicContact CG-CD2 4.17Å; P436-L456 HydrophobicContact CG-CG 4.15Å; P436-M457 WeakPolarHBondContact CG-O 3.16Å
437	P	90.6	Very high	90.1	Very high	73 Å²	73	22.6 Å²	22.6	47%	0.474	14%	0.139	S	C	.	.	S	Bend	cis	-83.8	118.7	8.2	31.5	-34.7	0	0	0	113
438	A	89.5	Confident	89.1	Confident	5 Å²	5	24.1 Å²	24.1	4%	0.041	15%	0.147	C	C	.	.			trans	-121.2	127.7	171.8	0	0	0	0	0	109.5	L115 I393 M434 L456	L115-A438 HydrophobicContact CD1-CB 4.15Å; I393-A438 HydrophobicContact CG2-CB 4.05Å; M434-A438 HydrophobicContact CG-CB 4.26Å; M434-A438 HydrophobicContact SD-CB 3.61Å; A438-L456 HydrophobicContact CB-CB 4Å; A438-L456 HydrophobicContact CB-CD2 4.03Å; A438-L456 PolarHBondContact O-N 3.49Å
439	G	90.3	Very high	88.4	Confident	43 Å²	43	26 Å²	26	44%	0.443	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	145.1	170.7	0	0	0	0	0	110.4	G394	G394-G439 PolarHBondContact N-O 3.36Å
440	V	92.6	Very high	88	Confident	4 Å²	4	27 Å²	27	2%	0.024	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.5	-179.9	-176.2	0	0	0	0	110.7	V371 F391 Q392 I393 V442 T453 G454 L456	V371-V440 HydrophobicContact CG1-CB 3.93Å; V371-V440 HydrophobicContact CG1-CG1 3.93Å; V371-V440 HydrophobicContact CG1-CG2 3.79Å; V371-V440 HydrophobicContact CG2-CG2 4.25Å; F391-V440 HydrophobicContact CD1-CG1 3.89Å; F391-V440 HydrophobicContact CE1-CG1 4.38Å; Q392-V440 WeakPolarHBondContact O-CA 3.36Å; I393-V440 HydrophobicContact CB-CG2 4.26Å; I393-V440 HydrophobicContact CD1-CG1 4.5Å; I393-V440 HydrophobicContact CD1-CG2 4.05Å; I393-V440 HydrophobicContact CG1-CG1 4.04Å; I393-V440 HydrophobicContact CG1-CG2 3.89Å; I393-V440 HydrophobicContact CG2-CG2 3.98Å; V440-V442 HydrophobicContact CG1-CG2 4.08Å; V440-T453 CarbonylContact O-C 3.58Å; V440-T453 WeakPolarHBondContact O-CA 3.28Å; V440-G454 PolarHBondContact N-O 3.03Å; V440-G454 PolarHBondContact O-N 2.74Å; V440-L456 HydrophobicContact CG2-CB 4.41Å
441	S	91	Very high	87.7	Confident	26 Å²	26	26.9 Å²	26.9	18%	0.182	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.7	168.3	-51.4	0	0	0	0	108.4	Q392	Q392-S441 PolarHBondContact N-O 2.85Å; Q392-S441 PolarHBondContact O-N 2.87Å
442	V	92.8	Very high	87.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.9	178.6	-174.3	0	0	0	0	109.4	L373 L389 L390 F391 V440 V451 G452	L373-V442 HydrophobicContact CD1-CB 4.27Å; L373-V442 HydrophobicContact CD1-CG2 3.55Å; L373-V442 HydrophobicContact CD2-CG2 4.23Å; L389-V442 HydrophobicContact CB-CG1 3.87Å; L389-V442 HydrophobicContact CD1-CG1 3.89Å; L389-V442 HydrophobicContact CG-CG1 4.35Å; L390-V442 WeakPolarHBondContact O-CA 3.45Å; F391-V442 HydrophobicContact CD1-CG2 3.74Å; F391-V442 HydrophobicContact CD2-CG1 4.28Å; F391-V442 HydrophobicContact CE1-CG2 3.5Å; F391-V442 VanDerWaalsContact CE1-CG2 3.5Å; F391-V442 HydrophobicContact CE2-CG1 3.98Å; F391-V442 HydrophobicContact CE2-CG2 4.32Å; F391-V442 HydrophobicContact CG-CG2 4.26Å; F391-V442 HydrophobicContact CZ-CG1 4.15Å; F391-V442 HydrophobicContact CZ-CG2 3.82Å; V440-V442 HydrophobicContact CG1-CG2 4.08Å; V442-V451 HydrophobicContact CB-CB 4.32Å; V442-V451 HydrophobicContact CB-CG1 4.3Å; V442-V451 HydrophobicContact CG1-CB 4.15Å; V442-V451 HydrophobicContact CG1-CG1 4.01Å; V442-V451 WeakPolarHBondContact O-CB 2.84Å; V442-V451 PolarHBondContact O-N 3.04Å; V442-G452 PolarHBondContact N-O 2.8Å; V442-G452 PolarHBondContact O-N 3.21Å
443	F	90.5	Very high	87.3	Confident	9 Å²	9	29.2 Å²	29.2	4%	0.039	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.6	-179.5	-53	-88.9	0	0	0	111	L27 L390 Q392 L448 S449 L450	L27-F443 HydrophobicContact CD1-CE2 4.21Å; L27-F443 HydrophobicContact CD1-CZ 3.66Å; L390-F443 HydrophobicContact CB-CB 4.2Å; L390-F443 HydrophobicContact CD2-CB 4.39Å; L390-F443 HydrophobicContact CD2-CD2 4.42Å; L390-F443 HydrophobicContact CG-CD2 4.48Å; L390-F443 PolarHBondContact N-O 3Å; L390-F443 PolarHBondContact O-N 2.98Å; Q392-F443 HydrophobicContact CB-CE2 4.31Å; F443-L448 HydrophobicContact CB-CD2 4.31Å; F443-L448 WeakPolarHBondContact CD1-O 3.22Å; F443-S449 WeakPolarHBondContact CA-O 3.07Å; F443-L450 HydrophobicContact CD1-CB 4.25Å; F443-L450 HydrophobicContact CD1-CD1 4.12Å; F443-L450 HydrophobicContact CE1-CB 4.14Å; F443-L450 HydrophobicContact CE1-CD1 3.66Å; F443-L450 HydrophobicContact CZ-CD1 4.03Å
444	K	87	Confident	87.2	Confident	47 Å²	47	30.2 Å²	30.2	20%	0.204	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.9	173.8	-171	173.9	178.9	178	0	110.6	L389 L448 S449 V451	L389-K444 HydrophobicContact CD2-CB 4.31Å; L389-K444 HydrophobicContact CD2-CG 4.42Å; K444-L448 VanDerWaalsContact O-CA 3.32Å; K444-L448 WeakPolarHBondContact O-CA 3.3Å; K444-L448 PolarHBondContact O-N 2.76Å; K444-S449 PolarHBondContact N-O 2.91Å; K444-S449 VanDerWaalsContact N-O 3.11Å; K444-V451 HydrophobicContact CB-CG2 3.78Å
445	L	76.9	Confident	87.3	Confident	42 Å²	42	32.8 Å²	32.8	22%	0.22	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	161	175.5	-79.2	172.2	0	0	0	113.1	F399 Q447 L559 E562	F399-L445 HydrophobicContact CD1-CD1 4.09Å; F399-L445 HydrophobicContact CD1-CD2 4.38Å; F399-L445 HydrophobicContact CD1-CG 4.24Å; F399-L445 HydrophobicContact CE1-CD1 3.8Å; F399-L445 HydrophobicContact CE1-CD2 3.31Å; F399-L445 HydrophobicContact CE1-CG 3.57Å; F399-L445 HydrophobicContact CZ-CD1 4.4Å; F399-L445 HydrophobicContact CZ-CD2 3.48Å; F399-L445 VanDerWaalsContact CZ-CD2 3.48Å; F399-L445 HydrophobicContact CZ-CG 4.22Å; L445-Q447 PolarHBondContact O-N 2.89Å; L445-L559 HydrophobicContact CD2-CD2 4.27Å; L445-E562 WeakPolarHBondContact CD2-OE1 3.17Å
446	G	71.3	Confident	87.4	Confident	36 Å²	36	33.1 Å²	33.1	37%	0.371	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-45.5	-179.5	0	0	0	0	0	116	E562 K566	G446-E562 WeakPolarHBondContact CA-OE2 3.32Å; G446-E562 PolarHBondContact N-OE2 3.19Å; G446-E562 VanDerWaalsContact N-OE2 3.1Å; G446-K566 PolarHBondContact O-NZ 2.81Å; G446-K566 VanDerWaalsContact O-NZ 3.07Å
447	Q	67.8	Low	87.4	Confident	169 Å²	169	34.8 Å²	34.8	79%	0.79	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.1	6.6	178.7	-76.7	-172	-16.6	0	0	114.1	L445 S449	L445-Q447 PolarHBondContact O-N 2.89Å; Q447-S449 PolarHBondContact O-N 3.44Å; Q447-S449 VanDerWaalsContact O-N 3.11Å
448	L	76.3	Confident	87.5	Confident	31 Å²	31	35 Å²	35	16%	0.162	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	35.8	-173	-73.8	170.9	0	0	0	113.2	M23 V24 L390 F443 K444 L450 L559	M23-L448 HydrophobicContact CE-CB 3.93Å; M23-L448 WeakPolarHBondContact CE-O 3.44Å; V24-L448 HydrophobicContact CG2-CD1 4.03Å; L390-L448 HydrophobicContact CD2-CD2 3.68Å; F443-L448 HydrophobicContact CB-CD2 4.31Å; F443-L448 WeakPolarHBondContact CD1-O 3.22Å; K444-L448 VanDerWaalsContact O-CA 3.32Å; K444-L448 WeakPolarHBondContact O-CA 3.3Å; K444-L448 PolarHBondContact O-N 2.76Å; L448-L450 PolarHBondContact O-N 3Å; L448-L559 HydrophobicContact CD1-CD1 4.38Å; L448-L559 HydrophobicContact CD1-CD2 4.27Å; L448-L559 HydrophobicContact CD2-CD1 4.47Å; L448-L559 HydrophobicContact CD2-CD2 3.97Å; L448-L559 HydrophobicContact CG-CD2 4.21Å
449	S	83.3	Confident	87.6	Confident	39 Å²	39	35.2 Å²	35.2	27%	0.273	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.9	-177.5	59.5	0	0	0	0	110.6	F443 K444 Q447 V451	F443-S449 WeakPolarHBondContact CA-O 3.07Å; K444-S449 PolarHBondContact N-O 2.91Å; K444-S449 VanDerWaalsContact N-O 3.11Å; Q447-S449 PolarHBondContact O-N 3.44Å; Q447-S449 VanDerWaalsContact O-N 3.11Å; S449-V451 PolarHBondContact O-N 3.26Å
450	L	87.5	Confident	87.6	Confident	22 Å²	22	35.7 Å²	35.7	12%	0.115	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	110.2	177.3	-179.2	70	0	0	0	109.6	F55 H376 F443 L448 T453	F55-L450 HydrophobicContact CD2-CD2 4.06Å; F55-L450 HydrophobicContact CE2-CD2 4.07Å; H376-L450 HydrophobicContact CB-CD2 4.45Å; H376-L450 HydrophobicContact CB-CG 4.35Å; F443-L450 HydrophobicContact CD1-CB 4.25Å; F443-L450 HydrophobicContact CD1-CD1 4.12Å; F443-L450 HydrophobicContact CE1-CB 4.14Å; F443-L450 HydrophobicContact CE1-CD1 3.66Å; F443-L450 HydrophobicContact CZ-CD1 4.03Å; L448-L450 PolarHBondContact O-N 3Å; L450-T453 HydrophobicContact CD1-CG2 4.2Å; L450-T453 HydrophobicContact CD2-CG2 4.23Å
451	V	89.8	Confident	87.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-44.3	178.9	155.8	0	0	0	0	111	H376 I383 L389 L419 V442 K444 S449	H376-V451 WeakPolarHBondContact CB-O 3.44Å; H376-V451 PolarHBondContact N-O 2.87Å; I383-V451 HydrophobicContact CD1-CB 3.91Å; I383-V451 HydrophobicContact CD1-CG1 3.27Å; I383-V451 HydrophobicContact CD1-CG2 3.56Å; L389-V451 HydrophobicContact CD2-CG2 4.28Å; L419-V451 HydrophobicContact CD2-CG1 4.09Å; V442-V451 HydrophobicContact CB-CB 4.32Å; V442-V451 HydrophobicContact CB-CG1 4.3Å; V442-V451 HydrophobicContact CG1-CB 4.15Å; V442-V451 HydrophobicContact CG1-CG1 4.01Å; V442-V451 WeakPolarHBondContact O-CB 2.84Å; V442-V451 PolarHBondContact O-N 3.04Å; K444-V451 HydrophobicContact CB-CG2 3.78Å; S449-V451 PolarHBondContact O-N 3.26Å
452	G	90.6	Very high	87.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	163.4	-168.4	0	0	0	0	0	112.7	R374 V442	R374-G452 CarbonylContact O-C 3.6Å; R374-G452 WeakPolarHBondContact O-CA 3.36Å; V442-G452 PolarHBondContact N-O 2.8Å; V442-G452 PolarHBondContact O-N 3.21Å
453	T	92.9	Very high	87.7	Confident	52 Å²	52	39.5 Å²	39.5	32%	0.319	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.2	177.9	56.4	0	0	0	0	109.9	R374 V440 L450	R374-T453 PolarHBondContact N-O 3.4Å; R374-T453 PolarHBondContact O-N 3.04Å; R374-T453 VanDerWaalsContact O-N 3.08Å; V440-T453 CarbonylContact O-C 3.58Å; V440-T453 WeakPolarHBondContact O-CA 3.28Å; L450-T453 HydrophobicContact CD1-CG2 4.2Å; L450-T453 HydrophobicContact CD2-CG2 4.23Å
454	G	92.7	Very high	87.9	Confident	22 Å²	22	39.2 Å²	39.2	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	-173.4	-167.5	0	0	0	0	0	115	L372 V440	L372-G454 CarbonylContact O-C 3.6Å; L372-G454 WeakPolarHBondContact O-CA 3.32Å; V440-G454 PolarHBondContact N-O 3.03Å; V440-G454 PolarHBondContact O-N 2.74Å
455	S	94.4	Very high	88.4	Confident	55 Å²	55	37.2 Å²	37.2	39%	0.385	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.3	176.8	54.8	0	0	0	0	110.3	L372 M457	L372-S455 PolarHBondContact N-O 2.78Å; L372-S455 PolarHBondContact O-N 3.23Å; S455-M457 PolarHBondContact O-N 3.18Å
456	L	94.3	Very high	89.4	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.6	174.1	-172.4	65	0	0	0	110.3	L369 V371 I393 M434 P436 A438 V440	L369-L456 HydrophobicContact CB-CD1 4.25Å; L369-L456 HydrophobicContact CD1-CD1 4.19Å; V371-L456 HydrophobicContact CG2-CD1 3.8Å; I393-L456 HydrophobicContact CD1-CD1 4.22Å; I393-L456 HydrophobicContact CG2-CB 4.43Å; I393-L456 HydrophobicContact CG2-CD1 4.42Å; I393-L456 HydrophobicContact CG2-CD2 4.04Å; M434-L456 HydrophobicContact CB-CD2 3.78Å; M434-L456 HydrophobicContact CG-CD2 4.14Å; M434-L456 VanDerWaalsContact O-CD2 3.23Å; M434-L456 WeakPolarHBondContact O-CD2 3.39Å; P436-L456 HydrophobicContact CG-CB 4.5Å; P436-L456 HydrophobicContact CG-CD2 4.17Å; P436-L456 HydrophobicContact CG-CG 4.15Å; A438-L456 HydrophobicContact CB-CB 4Å; A438-L456 HydrophobicContact CB-CD2 4.03Å; A438-L456 PolarHBondContact O-N 3.49Å; V440-L456 HydrophobicContact CG2-CB 4.41Å
457	M	93.4	Very high	90.6	Very high	47 Å²	47	36.3 Å²	36.3	23%	0.232	20%	0.199	C	C	.	.			trans	-87.3	-167.7	173.1	-57.7	-179.7	63.9	0	0	109.9	N370 L372 V426 P436 S455	N370-M457 HydrophobicContact CB-CB 4.29Å; N370-M457 VanDerWaalsContact O-CB 3.28Å; N370-M457 WeakPolarHBondContact O-CB 3.48Å; N370-M457 PolarHBondContact O-N 3.43Å; L372-M457 HydrophobicContact CB-CG 4.08Å; L372-M457 HydrophobicContact CB-SD 4.09Å; V426-M457 HydrophobicContact CG1-SD 3.99Å; V426-M457 HydrophobicContact CG2-SD 3.7Å; P436-M457 WeakPolarHBondContact CG-O 3.16Å; S455-M457 PolarHBondContact O-N 3.18Å
458	N	91.7	Very high	92	Very high	77 Å²	77	30.4 Å²	30.4	41%	0.412	17%	0.17	S	C	.	.			trans	-65.7	164.7	169.8	-67.7	-24.1	0	0	0	111.1	F320 D460	F320-N458 HydrophobicContact CD1-CB 3.75Å; F320-N458 HydrophobicContact CE1-CB 4.2Å; N458-D460 VanDerWaalsContact O-OD1 3.1Å
459	V	92.2	Very high	93	Very high	9 Å²	9	29 Å²	29	6%	0.055	16%	0.162	C	C	.	.			trans	-98.4	93	177.3	-179.3	0	0	0	0	108.5	F317 F320 A367 L369 V433	F317-V459 HydrophobicContact CD2-CG1 4.24Å; F317-V459 HydrophobicContact CE2-CG1 4.2Å; F320-V459 HydrophobicContact CD2-CB 3.81Å; F320-V459 HydrophobicContact CD2-CG2 4.25Å; F320-V459 HydrophobicContact CE1-CG2 4.38Å; F320-V459 HydrophobicContact CE2-CB 3.67Å; F320-V459 HydrophobicContact CE2-CG2 3.58Å; F320-V459 HydrophobicContact CG-CB 4.36Å; F320-V459 HydrophobicContact CZ-CB 4.09Å; F320-V459 HydrophobicContact CZ-CG2 3.64Å; A367-V459 HydrophobicContact CB-CG1 3.39Å; L369-V459 HydrophobicContact CD2-CG1 4.24Å; L369-V459 HydrophobicContact CD2-CG2 3.63Å; V433-V459 HydrophobicContact CG2-CG1 4.49Å
460	D	91	Very high	93.6	Very high	53 Å²	53	27.1 Å²	27.1	28%	0.283	15%	0.149	S	C	.	.			trans	-123.9	106.1	-176.7	54.9	-54.4	0	0	0	111.8	N370 N458 D462	N370-D460 PolarHBondContact ND2-O 3.34Å; N370-D460 PolarHBondContact ND2-OD1 2.76Å; N370-D460 PolarHBondContact ND2-OD2 3.01Å; N458-D460 VanDerWaalsContact O-OD1 3.1Å; D460-D462 VanDerWaalsContact C-N 3.32Å
461	A	91.7	Very high	94.1	Very high	9 Å²	9	26.1 Å²	26.1	7%	0.074	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-21.5	176.4	0	0	0	0	0	113.3	Y311 I314 L368 R463	Y311-A461 HydrophobicContact CE1-CB 4.19Å; Y311-A461 PolarHBondContact OH-O 3.36Å; I314-A461 HydrophobicContact CD1-CB 3.96Å; L368-A461 HydrophobicContact CB-CB 4.32Å; A461-R463 PolarHBondContact O-N 3.35Å
462	D	92.1	Very high	94.4	Very high	82 Å²	82	27.4 Å²	27.4	44%	0.439	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7	-178.4	-62	-49	0	0	0	113.4	P303 D460 V464	P303-D462 HydrophobicContact CB-CB 4.04Å; D460-D462 VanDerWaalsContact C-N 3.32Å; D462-V464 WeakPolarHBondContact O-CG2 3.45Å; D462-V464 PolarHBondContact O-N 3.21Å; D462-V464 VanDerWaalsContact O-N 3.09Å
463	R	94.3	Very high	94.6	Very high	20 Å²	20	27.4 Å²	27.4	8%	0.075	15%	0.153	C	C	.	.			trans	-55.4	112.4	179.5	-170	176.5	176.8	75.5	8.5	111.7	N370 Q406 H413 A461 I465	N370-R463 VanDerWaalsContact CG-CD 3.49Å; N370-R463 WeakPolarHBondContact ND2-CD 3.44Å; N370-R463 WeakPolarHBondContact OD1-CD 3.39Å; Q406-R463 PolarHBondContact O-NH2 2.87Å; H413-R463 VanDerWaalsContact CD2-CG 3.44Å; H413-R463 WeakPolarHBondContact CD2-CG 3.5Å; H413-R463 PolarHBondContact CD2-NH2 3.25Å; H413-R463 PolarHBondContact CE1-NH1 3.16Å; H413-R463 PolarHBondContact CE1-NH2 3.28Å; H413-R463 PolarHBondContact ND1-NH2 3.48Å; H413-R463 VanDerWaalsContact NE2-CZ 3.27Å; H413-R463 PolarHBondContact NE2-NH1 3.21Å; A461-R463 PolarHBondContact O-N 3.35Å; R463-I465 HydrophobicContact CG-CG1 4.38Å; R463-I465 PolarHBondContact O-N 2.75Å
464	V	95.7	Very high	94.8	Very high	3 Å²	3	29 Å²	29	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	103	-175.3	-173.5	0	0	0	0	110.8	W301 P303 K412 H413 D462 L466	W301-V464 HydrophobicContact CB-CG1 4.34Å; W301-V464 HydrophobicContact CD2-CG1 4.38Å; W301-V464 HydrophobicContact CG-CG1 3.83Å; P303-V464 HydrophobicContact CB-CG2 4.15Å; P303-V464 HydrophobicContact CG-CG2 3.96Å; K412-V464 HydrophobicContact CG-CB 4.42Å; K412-V464 HydrophobicContact CG-CG1 4.32Å; H413-V464 PolarHBondContact N-O 2.93Å; D462-V464 WeakPolarHBondContact O-CG2 3.45Å; D462-V464 PolarHBondContact O-N 3.21Å; D462-V464 VanDerWaalsContact O-N 3.09Å; V464-L466 HydrophobicContact CG1-CD2 3.65Å; V464-L466 HydrophobicContact CG1-CG 3.98Å
465	I	97	Very high	95	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.2	178.2	-60.9	171.7	0	0	0	109.6	V403 H413 V415 S428 R463 R544 V545	V403-I465 HydrophobicContact CG1-CG2 3.93Å; H413-I465 WeakPolarHBondContact O-CA 3.15Å; V415-I465 HydrophobicContact CG2-CG2 3.32Å; S428-I465 VanDerWaalsContact CB-CD1 3.5Å; S428-I465 WeakPolarHBondContact OG-CD1 3.31Å; R463-I465 HydrophobicContact CG-CG1 4.38Å; R463-I465 PolarHBondContact O-N 2.75Å; I465-R544 WeakPolarHBondContact O-CA 3.33Å; I465-V545 PolarHBondContact O-N 3.17Å
466	L	97.4	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.7	-175.8	-59.6	-173.9	0	0	0	111.5	L293 F296 W301 K412 H413 K414 V415 V464 K543 R544	L293-L466 HydrophobicContact CD1-CD1 4.03Å; F296-L466 HydrophobicContact CD2-CD1 4.48Å; F296-L466 HydrophobicContact CE2-CB 4.03Å; F296-L466 HydrophobicContact CE2-CD1 3.76Å; F296-L466 HydrophobicContact CE2-CG 4.41Å; F296-L466 HydrophobicContact CZ-CB 4.49Å; F296-L466 HydrophobicContact CZ-CD1 4.4Å; W301-L466 HydrophobicContact CD2-CD1 4.09Å; W301-L466 HydrophobicContact CD2-CD2 3.64Å; W301-L466 HydrophobicContact CE3-CD1 3.59Å; W301-L466 HydrophobicContact CE3-CD2 3.7Å; W301-L466 HydrophobicContact CE3-CG 4.33Å; W301-L466 HydrophobicContact CG-CD2 4.38Å; W301-L466 HydrophobicContact CH2-CD2 3.93Å; W301-L466 HydrophobicContact CZ2-CD2 3.86Å; W301-L466 HydrophobicContact CZ3-CD1 4.04Å; W301-L466 HydrophobicContact CZ3-CD2 3.83Å; K412-L466 HydrophobicContact CB-CD1 4.05Å; K412-L466 HydrophobicContact CD-CD1 3.94Å; K412-L466 HydrophobicContact CG-CD1 3.97Å; H413-L466 PolarHBondContact O-N 2.73Å; K414-L466 CarbonylContact C-O 3.24Å; K414-L466 WeakPolarHBondContact CA-O 3.36Å; V415-L466 PolarHBondContact N-O 3.03Å; V464-L466 HydrophobicContact CG1-CD2 3.65Å; V464-L466 HydrophobicContact CG1-CG 3.98Å; L466-K543 CarbonylContact C-O 3.43Å; L466-K543 WeakPolarHBondContact CA-O 3.4Å; L466-R544 HydrophobicContact CD2-CB 4.01Å; L466-R544 HydrophobicContact CD2-CG 4.4Å
467	K	97.4	Very high	95	Very high	59 Å²	59	37.6 Å²	37.6	26%	0.257	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.8	164.4	174.7	177.1	-178.8	-170.5	0	108.9	V415 Y542 K543 V545	V415-K467 HydrophobicContact CB-CB 4.35Å; V415-K467 HydrophobicContact CG2-CB 4.14Å; K467-Y542 WeakPolarHBondContact O-CA 3.14Å; K467-K543 PolarHBondContact N-O 2.87Å; K467-K543 PolarHBondContact O-N 2.91Å; K467-V545 HydrophobicContact CB-CG2 3.49Å; K467-V545 VanDerWaalsContact CB-CG2 3.49Å
468	R	97.3	Very high	95.1	Very high	45 Å²	45	38 Å²	38	17%	0.17	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	147.9	165.2	-171.8	173.5	62	152.3	8.7	110.1	P272 D273 V470 L541 Y542	P272-R468 PolarHBondContact O-NH2 3.11Å; D273-R468 HydrophobicContact CB-CB 4.21Å; D273-R468 HydrophobicContact CB-CG 4.29Å; D273-R468 IonicContact OD2-CZ 3.5Å; D273-R468 VanDerWaalsContact OD2-CZ 3.26Å; D273-R468 IonicContact OD2-NE 3.59Å; D273-R468 PolarHBondContact OD2-NE 3.26Å; D273-R468 IonicContact OD2-NH2 3.27Å; D273-R468 PolarHBondContact OD2-NH2 3.43Å; R468-V470 HydrophobicContact CG-CG2 4.16Å; R468-L541 CarbonylContact C-O 3.52Å; R468-L541 WeakPolarHBondContact CA-O 3.18Å; R468-Y542 HydrophobicContact CB-CD1 4.05Å; R468-Y542 HydrophobicContact CB-CE1 3.76Å; R468-Y542 HydrophobicContact CG-CD1 4.25Å; R468-Y542 HydrophobicContact CG-CE1 3.68Å
469	V	96.6	Very high	95.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.9	161.7	170.3	0	0	0	0	106.8	I275 F287 Y290 L471 L541	I275-V469 HydrophobicContact CB-CG1 4.03Å; I275-V469 HydrophobicContact CD1-CB 4.37Å; I275-V469 HydrophobicContact CD1-CG1 3.87Å; I275-V469 HydrophobicContact CD1-CG2 3.66Å; I275-V469 HydrophobicContact CG1-CG1 4.04Å; F287-V469 HydrophobicContact CE1-CG1 3.96Å; Y290-V469 HydrophobicContact CD1-CG2 4.43Å; Y290-V469 HydrophobicContact CE1-CB 4.11Å; Y290-V469 HydrophobicContact CE1-CG2 3.52Å; V469-L471 HydrophobicContact CG1-CD2 3.8Å; V469-L541 PolarHBondContact N-O 2.93Å; V469-L541 PolarHBondContact O-N 2.8Å
470	V	96.6	Very high	95.3	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.3	176.4	-178.4	0	0	0	0	107.8	D273 E274 I275 R468 R504 F538 I539 D540	D273-V470 HydrophobicContact CB-CG2 4.09Å; D273-V470 PolarHBondContact O-N 3.09Å; E274-V470 WeakPolarHBondContact CA-O 3.5Å; E274-V470 HydrophobicContact CG-CB 3.86Å; E274-V470 HydrophobicContact CG-CG1 3.91Å; I275-V470 PolarHBondContact N-O 2.94Å; I275-V470 VanDerWaalsContact N-O 3.12Å; R468-V470 HydrophobicContact CG-CG2 4.16Å; V470-R504 VanDerWaalsContact CG1-NH2 3.34Å; V470-F538 HydrophobicContact CG1-CB 3.98Å; V470-F538 HydrophobicContact CG1-CD1 3.46Å; V470-F538 VanDerWaalsContact CG1-CD1 3.46Å; V470-F538 HydrophobicContact CG1-CE1 4.21Å; V470-F538 HydrophobicContact CG1-CG 4.04Å; V470-I539 WeakPolarHBondContact CA-O 3.47Å; V470-D540 WeakPolarHBondContact CG2-OD1 3.2Å
471	L	96.5	Very high	95.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.7	171	-52.6	-176.5	0	0	0	108.3	T277 F287 V469 M488 F489 F538 I539 L541	T277-L471 HydrophobicContact CG2-CD1 3.9Å; T277-L471 HydrophobicContact CG2-CD2 3.85Å; T277-L471 HydrophobicContact CG2-CG 4.3Å; F287-L471 HydrophobicContact CD2-CD1 4.19Å; F287-L471 HydrophobicContact CE1-CD2 4.29Å; F287-L471 HydrophobicContact CE2-CD1 4Å; F287-L471 HydrophobicContact CE2-CD2 3.83Å; F287-L471 HydrophobicContact CZ-CD2 3.63Å; V469-L471 HydrophobicContact CG1-CD2 3.8Å; L471-M488 HydrophobicContact CB-CG 4.34Å; L471-F489 HydrophobicContact CD1-CE1 3.86Å; L471-F489 HydrophobicContact CD1-CZ 4.18Å; L471-F538 CarbonylContact O-C 3.49Å; L471-F538 VanDerWaalsContact O-CA 3.25Å; L471-F538 WeakPolarHBondContact O-CA 3.47Å; L471-I539 HydrophobicContact CB-CB 4.42Å; L471-I539 PolarHBondContact N-O 3.21Å; L471-I539 PolarHBondContact O-N 2.79Å; L471-L541 HydrophobicContact CD1-CD1 3.95Å; L471-L541 HydrophobicContact CG-CD1 4.42Å
472	S	96.1	Very high	95.7	Very high	27 Å²	27	56.1 Å²	56.1	19%	0.189	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	152.3	-178.4	50.2	0	0	0	0	111.5	M488 V537	S472-M488 WeakPolarHBondContact O-CA 3.29Å; S472-V537 CarbonylContact C-O 3.56Å
473	G	96	Very high	95.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	150.7	175.1	0	0	0	0	0	111.5	R486 V537	G473-R486 WeakPolarHBondContact CA-O 3.28Å; G473-V537 PolarHBondContact N-O 3.08Å; G473-V537 PolarHBondContact O-N 2.85Å
474	H	96	Very high	96	Very high	86 Å²	86	52.7 Å²	52.7	40%	0.398	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.2	-174.3	-66.2	-76.3	0	0	0	111.5	V485 R486	H474-V485 WeakPolarHBondContact O-CA 3.46Å; H474-R486 PolarHBondContact N-O 2.51Å; H474-R486 WeakPolarHBondContact O-CG 3.34Å; H474-R486 PolarHBondContact O-N 3Å
475	P	96.6	Very high	96.1	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.2	170.4	29.9	-33.1	0	0	0	109.7	I478 L531 D535	P475-I478 HydrophobicContact CB-CD1 4.08Å; P475-I478 HydrophobicContact CB-CG1 4.08Å; P475-I478 HydrophobicContact CG-CD1 4.42Å; P475-L531 HydrophobicContact CB-CD1 4.3Å; P475-D535 WeakPolarHBondContact CD-O 3.49Å
476	Y	93.3	Very high	96	Very high	122 Å²	122	56 Å²	56	48%	0.478	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-46	179.7	175.2	-129.5	0	0	0	112.5	V484	Y476-V484 PolarHBondContact N-O 3.12Å
477	K	95.7	Very high	95.9	Very high	131 Å²	131	61.8 Å²	61.8	57%	0.57	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.5	174.9	-68.2	179.4	176.4	-179.9	0	108.7	A483 V484	K477-A483 CarbonylContact O-C 3.55Å; K477-A483 WeakPolarHBondContact O-CA 3.49Å; K477-V484 HydrophobicContact CB-CB 4.24Å; K477-V484 HydrophobicContact CB-CG2 4.33Å; K477-V484 PolarHBondContact O-N 3.45Å
478	I	96.3	Very high	95.9	Very high	55 Å²	55	59 Å²	59	28%	0.282	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.3	-177.1	-61.3	159.9	0	0	0	108.7	P475 A483 Q530 L531	P475-I478 HydrophobicContact CB-CD1 4.08Å; P475-I478 HydrophobicContact CB-CG1 4.08Å; P475-I478 HydrophobicContact CG-CD1 4.42Å; I478-A483 HydrophobicContact CG1-CB 4.15Å; I478-Q530 HydrophobicContact CG2-CG 3.94Å; I478-L531 HydrophobicContact CD1-CB 4.36Å
479	N	93.6	Very high	95.8	Very high	110 Å²	110	57 Å²	57	59%	0.588	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139	99.6	177.8	178.9	3.3	0	0	0	110	R481 H482	N479-R481 PolarHBondContact O-N 3.09Å; N479-H482 CarbonylContact C-O 3.59Å; N479-H482 PolarHBondContact N-O 3.46Å; N479-H482 PolarHBondContact O-N 3.18Å; N479-H482 VanDerWaalsContact O-O 3.13Å
480	R	93.5	Very high	95.7	Very high	198 Å²	198	60.5 Å²	60.5	75%	0.747	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	-111.5	-176.9	-60.8	-179.9	178.9	177.4	-0.1	110.8	Q530	R480-Q530 WeakPolarHBondContact O-CA 3.43Å; R480-Q530 WeakPolarHBondContact O-CB 3.49Å; R480-Q530 VanDerWaalsContact O-CG 3.28Å; R480-Q530 WeakPolarHBondContact O-CG 3.19Å
481	R	95.2	Very high	95.6	Very high	166 Å²	166	63.4 Å²	63.4	63%	0.626	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.2	-179.8	-68	-174	-177.4	169.3	2	114.6	N479 F527	N479-R481 PolarHBondContact O-N 3.09Å; R481-F527 PolarHBondContact O-N 3.19Å
482	H	96.1	Very high	95.5	Very high	56 Å²	56	69 Å²	69	26%	0.259	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.3	178	-61.7	-48.8	0	0	0	111.4	N479 R514 C525 S526	N479-H482 CarbonylContact C-O 3.59Å; N479-H482 PolarHBondContact N-O 3.46Å; N479-H482 PolarHBondContact O-N 3.18Å; N479-H482 VanDerWaalsContact O-O 3.13Å; H482-R514 PolarHBondContact CE1-NH1 3.24Å; H482-R514 PolarHBondContact CE1-NH2 3.17Å; H482-C525 WeakPolarHBondContact CA-O 3.46Å; H482-S526 PolarHBondContact CE1-OG 2.97Å; H482-S526 VanDerWaalsContact CE1-OG 3.28Å
483	A	97.2	Very high	95.5	Very high	3 Å²	3	71.5 Å²	71.5	3%	0.025	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.2	170.4	0	0	0	0	0	110.5	K477 I478 C525 F527 L531	K477-A483 CarbonylContact O-C 3.55Å; K477-A483 WeakPolarHBondContact O-CA 3.49Å; I478-A483 HydrophobicContact CG1-CB 4.15Å; A483-C525 PolarHBondContact N-O 3.14Å; A483-C525 VanDerWaalsContact N-O 3.08Å; A483-C525 PolarHBondContact O-N 3.23Å; A483-F527 HydrophobicContact CB-CD2 4.46Å; A483-F527 HydrophobicContact CB-CE2 4.18Å; A483-L531 HydrophobicContact CB-CD1 4.13Å
484	V	97.1	Very high	95.4	Very high	27 Å²	27	71.6 Å²	71.6	16%	0.164	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.1	166.7	178.7	0	0	0	0	107.9	Y476 K477 I517 Y522 M523	Y476-V484 PolarHBondContact N-O 3.12Å; K477-V484 HydrophobicContact CB-CB 4.24Å; K477-V484 HydrophobicContact CB-CG2 4.33Å; K477-V484 PolarHBondContact O-N 3.45Å; V484-I517 HydrophobicContact CB-CD1 4.43Å; V484-I517 HydrophobicContact CG1-CD1 3.89Å; V484-I517 HydrophobicContact CG2-CD1 3.71Å; V484-Y522 HydrophobicContact CG1-CD1 4.39Å; V484-M523 CarbonylContact C-O 3.42Å; V484-M523 VanDerWaalsContact CA-O 3.3Å; V484-M523 WeakPolarHBondContact CA-O 3.23Å
485	V	96.9	Very high	95.5	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.9	179.2	-178.3	0	0	0	0	109.4	H474 M523 C525 V537	H474-V485 WeakPolarHBondContact O-CA 3.46Å; V485-M523 HydrophobicContact CB-CE 3.78Å; V485-M523 HydrophobicContact CB-CG 4.04Å; V485-M523 HydrophobicContact CG1-CE 3.72Å; V485-M523 HydrophobicContact CG2-CE 4.4Å; V485-M523 PolarHBondContact N-O 3Å; V485-M523 PolarHBondContact O-N 3.24Å; V485-C525 HydrophobicContact CG2-CB 4.27Å; V485-V537 HydrophobicContact CG1-CB 4.3Å; V485-V537 HydrophobicContact CG1-CG2 4.45Å; V485-V537 HydrophobicContact CG2-CB 4.43Å; V485-V537 HydrophobicContact CG2-CG2 3.9Å
486	R	95.7	Very high	95.4	Very high	76 Å²	76	70.7 Å²	70.7	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	163.7	178.7	65.7	174.2	177.2	169.3	2	112	G473 H474 M488 Y522	G473-R486 WeakPolarHBondContact CA-O 3.28Å; H474-R486 PolarHBondContact N-O 2.51Å; H474-R486 WeakPolarHBondContact O-CG 3.34Å; H474-R486 PolarHBondContact O-N 3Å; R486-M488 PolarHBondContact O-N 3.4Å; R486-Y522 HydrophobicContact CB-CD1 3.68Å; R486-Y522 HydrophobicContact CB-CE1 3.46Å; R486-Y522 VanDerWaalsContact CB-CE1 3.46Å; R486-Y522 HydrophobicContact CG-CE1 4.47Å
487	Y	95.1	Very high	95.5	Very high	121 Å²	121	71.5 Å²	71.5	48%	0.475	31%	0.309	S	S	.	.	S	Bend	trans	63.6	8.4	177.4	-50.6	-50.3	0	0	0	116.7	F490	Y487-F490 HydrophobicContact CD1-CE1 4.45Å
488	M	95.9	Very high	95.5	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	-85	-30	170.2	-170.5	172.5	-75.9	0	0	112.7	T277 L471 S472 R486 M523 V537 I539	T277-M488 WeakPolarHBondContact CG2-O 3.46Å; T277-M488 PolarHBondContact OG1-O 2.81Å; L471-M488 HydrophobicContact CB-CG 4.34Å; S472-M488 WeakPolarHBondContact O-CA 3.29Å; R486-M488 PolarHBondContact O-N 3.4Å; M488-M523 HydrophobicContact CB-CE 4.14Å; M488-M523 HydrophobicContact CE-CE 4.3Å; M488-M523 HydrophobicContact CG-CE 4.35Å; M488-M523 HydrophobicContact SD-CE 3.46Å; M488-M523 WeakPolarHBondContact SD-CE 3.47Å; M488-V537 HydrophobicContact CE-CB 4.19Å; M488-V537 HydrophobicContact CE-CG1 4.06Å; M488-V537 WeakPolarHBondContact CE-O 3.34Å; M488-I539 HydrophobicContact CE-CG1 4.34Å; M488-I539 HydrophobicContact SD-CB 4.34Å; M488-I539 HydrophobicContact SD-CD1 3.42Å; M488-I539 WeakPolarHBondContact SD-CD1 3.39Å; M488-I539 HydrophobicContact SD-CG1 3.65Å
489	F	96.1	Very high	95.4	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.009	29%	0.289	C	S	.	.			trans	-144.3	158.7	176.3	-60.4	-64	0	0	0	108.8	A283 L471 D494 V495 F498 M523 I539	A283-F489 HydrophobicContact CB-CD1 3.67Å; A283-F489 HydrophobicContact CB-CE1 3.88Å; L471-F489 HydrophobicContact CD1-CE1 3.86Å; L471-F489 HydrophobicContact CD1-CZ 4.18Å; F489-D494 HydrophobicContact CB-CB 4.15Å; F489-D494 HydrophobicContact CD1-CB 3.94Å; F489-D494 HydrophobicContact CG-CB 4.14Å; F489-V495 HydrophobicContact CB-CG2 4.02Å; F489-V495 HydrophobicContact CD2-CG2 3.97Å; F489-V495 HydrophobicContact CG-CG2 4.35Å; F489-F498 HydrophobicContact CD1-CD2 4.11Å; F489-F498 HydrophobicContact CD1-CE2 4.42Å; F489-F498 AromaticContact CE1-CD2 3.23Å; F489-F498 HydrophobicContact CE1-CD2 3.23Å; F489-F498 AromaticContact CE1-CE2 3.59Å; F489-F498 HydrophobicContact CE1-CE2 3.59Å; F489-F498 HydrophobicContact CE1-CG 4.05Å; F489-F498 HydrophobicContact CE2-CB 4.03Å; F489-F498 HydrophobicContact CE2-CD2 4.12Å; F489-F498 HydrophobicContact CE2-CG 4.37Å; F489-F498 HydrophobicContact CZ-CB 3.71Å; F489-F498 AromaticContact CZ-CD2 3.23Å; F489-F498 HydrophobicContact CZ-CD2 3.23Å; F489-F498 HydrophobicContact CZ-CE2 4.02Å; F489-F498 AromaticContact CZ-CG 3.59Å; F489-F498 HydrophobicContact CZ-CG 3.59Å; F489-M523 HydrophobicContact CD2-SD 4.32Å; F489-M523 HydrophobicContact CE2-SD 4.47Å; F489-I539 HydrophobicContact CE2-CD1 3.85Å; F489-I539 HydrophobicContact CZ-CD1 3.8Å
490	F	95.2	Very high	95.5	Very high	73 Å²	73	67.9 Å²	67.9	32%	0.32	29%	0.294	S	S	.	.	S	Bend	trans	-114.6	-14.8	179.7	-64.7	-75.5	0	0	0	113.7	T277 A279 Y487 H520 G521	T277-F490 WeakPolarHBondContact O-CE2 3.34Å; T277-F490 WeakPolarHBondContact OG1-CE2 3.45Å; A279-F490 HydrophobicContact CB-CD2 3.96Å; A279-F490 HydrophobicContact CB-CE2 4.09Å; A279-F490 HydrophobicContact CB-CG 4.2Å; A279-F490 HydrophobicContact CB-CZ 4.44Å; Y487-F490 HydrophobicContact CD1-CE1 4.45Å; F490-H520 CarbonylContact O-C 3.07Å; F490-H520 VanDerWaalsContact O-CA 3.23Å; F490-H520 WeakPolarHBondContact O-CA 2.94Å; F490-G521 PolarHBondContact O-N 2.86Å
491	N	93.6	Very high	95.6	Very high	62 Å²	62	58.9 Å²	58.9	33%	0.332	26%	0.26	S	S	.	.	S	Bend	trans	-115.9	148.2	179.4	-51.6	-62.8	0	0	0	111.2	D493 D494 T519	N491-D493 PolarHBondContact O-N 2.82Å; N491-D494 HydrophobicContact CB-CB 4.43Å; N491-D494 WeakPolarHBondContact CB-OD2 3.27Å; N491-D494 PolarHBondContact ND2-OD2 3.08Å; N491-D494 PolarHBondContact O-N 3.49Å; N491-T519 CarbonylContact C-O 3.51Å
492	R	94.9	Very high	95.7	Very high	118 Å²	118	52.9 Å²	52.9	45%	0.445	24%	0.24	S	C	.	.	H	α-helix	trans	-56.2	-48	173.6	-176.9	-179.8	-179.1	84	0.8	112.1	D494 V495 E496 P516 G518 T519	R492-D494 VanDerWaalsContact C-N 3.29Å; R492-D494 PolarHBondContact O-N 2.72Å; R492-V495 WeakPolarHBondContact O-CB 3.49Å; R492-V495 PolarHBondContact O-N 3.02Å; R492-E496 PolarHBondContact O-N 3.07Å; R492-P516 HydrophobicContact CG-CB 3.96Å; R492-P516 HydrophobicContact CG-CG 4.03Å; R492-G518 PolarHBondContact NH1-O 3.04Å; R492-T519 PolarHBondContact N-O 3.1Å
493	D	94.9	Very high	95.7	Very high	79 Å²	79	50.2 Å²	50.2	42%	0.422	23%	0.227	S	C	.	.	H	α-helix	trans	-67.3	-29.6	-174.7	-51.3	-4.1	0	0	0	113.4	R284 N491 V495 E496 W497	R284-D493 IonicContact CZ-OD2 2.73Å; R284-D493 VanDerWaalsContact NH1-CG 3.34Å; R284-D493 IonicContact NH1-OD2 2.66Å; R284-D493 PolarHBondContact NH1-OD2 2.74Å; R284-D493 IonicContact NH2-OD2 3.09Å; R284-D493 PolarHBondContact NH2-OD2 3.32Å; N491-D493 PolarHBondContact O-N 2.82Å; D493-V495 VanDerWaalsContact C-N 3.32Å; D493-E496 PolarHBondContact O-N 2.97Å; D493-W497 WeakPolarHBondContact O-CB 3.18Å; D493-W497 PolarHBondContact O-N 3.12Å
494	D	95.6	Very high	95.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.011	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-40.8	176.4	-72.1	-35.9	0	0	0	109.9	P282 A283 R284 F489 N491 R492 E496 W497 F498	P282-D494 WeakPolarHBondContact CA-OD2 3.41Å; A283-D494 HydrophobicContact CB-CB 4.14Å; A283-D494 PolarHBondContact N-OD1 3.02Å; A283-D494 PolarHBondContact N-OD2 3.25Å; R284-D494 WeakPolarHBondContact CB-OD1 3.13Å; R284-D494 WeakPolarHBondContact CG-OD1 3.3Å; R284-D494 PolarHBondContact N-OD1 3.1Å; F489-D494 HydrophobicContact CB-CB 4.15Å; F489-D494 HydrophobicContact CD1-CB 3.94Å; F489-D494 HydrophobicContact CG-CB 4.14Å; N491-D494 HydrophobicContact CB-CB 4.43Å; N491-D494 WeakPolarHBondContact CB-OD2 3.27Å; N491-D494 PolarHBondContact ND2-OD2 3.08Å; N491-D494 PolarHBondContact O-N 3.49Å; R492-D494 VanDerWaalsContact C-N 3.29Å; R492-D494 PolarHBondContact O-N 2.72Å; D494-E496 VanDerWaalsContact C-N 3.33Å; D494-E496 PolarHBondContact O-N 2.87Å; D494-W497 PolarHBondContact O-N 2.96Å; D494-F498 WeakPolarHBondContact O-CD2 3.32Å; D494-F498 PolarHBondContact O-N 3.08Å
495	V	96.3	Very high	95.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-41.4	174.4	176.5	0	0	0	0	111.3	F489 R492 D493 R499 I513 P516 G521 M523	F489-V495 HydrophobicContact CB-CG2 4.02Å; F489-V495 HydrophobicContact CD2-CG2 3.97Å; F489-V495 HydrophobicContact CG-CG2 4.35Å; R492-V495 WeakPolarHBondContact O-CB 3.49Å; R492-V495 PolarHBondContact O-N 3.02Å; D493-V495 VanDerWaalsContact C-N 3.32Å; V495-R499 PolarHBondContact O-N 3.14Å; V495-I513 HydrophobicContact CG1-CG2 3.72Å; V495-P516 HydrophobicContact CB-CB 4Å; V495-P516 HydrophobicContact CG1-CB 3.78Å; V495-G521 WeakPolarHBondContact CG2-O 3.28Å; V495-M523 HydrophobicContact CG1-CB 3.51Å; V495-M523 HydrophobicContact CG1-SD 4.3Å; V495-M523 HydrophobicContact CG2-CB 4.15Å
496	E	95.7	Very high	95.4	Very high	80 Å²	80	62.2 Å²	62.2	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-70.1	-39.8	178.8	-162.7	61.2	-147	0	0	111.5	R492 D493 D494 F498 R499 P516	R492-E496 PolarHBondContact O-N 3.07Å; D493-E496 PolarHBondContact O-N 2.97Å; D494-E496 VanDerWaalsContact C-N 3.33Å; D494-E496 PolarHBondContact O-N 2.87Å; E496-F498 PolarHBondContact O-N 2.82Å; E496-R499 WeakPolarHBondContact O-CB 3.38Å; E496-R499 PolarHBondContact O-N 3.38Å; E496-R499 WeakPolarHBondContact OE1-CD 3.35Å; E496-R499 IonicContact OE1-CZ 3.9Å; E496-R499 IonicContact OE1-NE 3.69Å; E496-R499 IonicContact OE1-NH1 3.63Å; E496-R499 PolarHBondContact OE1-NH1 3.46Å; E496-R499 IonicContact OE2-NH1 3.83Å; E496-P516 WeakPolarHBondContact OE2-CD 3.12Å
497	W	95.1	Very high	95.3	Very high	140 Å²	140	61.3 Å²	61.3	53%	0.53	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-42.2	174.4	-178.1	-84	0	0	0	112.6	R284 D493 D494	R284-W497 HydrophobicContact CB-CB 4.15Å; R284-W497 HydrophobicContact CB-CD2 3.79Å; R284-W497 HydrophobicContact CB-CE3 4.3Å; R284-W497 HydrophobicContact CB-CG 3.7Å; D493-W497 WeakPolarHBondContact O-CB 3.18Å; D493-W497 PolarHBondContact O-N 3.12Å; D494-W497 PolarHBondContact O-N 2.96Å
498	F	95.9	Very high	95.2	Very high	7 Å²	7	58.4 Å²	58.4	3%	0.031	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	3.5	178.1	-65.6	-68.5	0	0	0	114.1	A283 F287 F489 D494 E496 P500 V501 I539 L541	A283-F498 HydrophobicContact CB-CE2 3.94Å; F287-F498 HydrophobicContact CB-CZ 4.14Å; F489-F498 HydrophobicContact CD1-CD2 4.11Å; F489-F498 HydrophobicContact CD1-CE2 4.42Å; F489-F498 AromaticContact CE1-CD2 3.23Å; F489-F498 HydrophobicContact CE1-CD2 3.23Å; F489-F498 AromaticContact CE1-CE2 3.59Å; F489-F498 HydrophobicContact CE1-CE2 3.59Å; F489-F498 HydrophobicContact CE1-CG 4.05Å; F489-F498 HydrophobicContact CE2-CB 4.03Å; F489-F498 HydrophobicContact CE2-CD2 4.12Å; F489-F498 HydrophobicContact CE2-CG 4.37Å; F489-F498 HydrophobicContact CZ-CB 3.71Å; F489-F498 AromaticContact CZ-CD2 3.23Å; F489-F498 HydrophobicContact CZ-CD2 3.23Å; F489-F498 HydrophobicContact CZ-CE2 4.02Å; F489-F498 AromaticContact CZ-CG 3.59Å; F489-F498 HydrophobicContact CZ-CG 3.59Å; D494-F498 WeakPolarHBondContact O-CD2 3.32Å; D494-F498 PolarHBondContact O-N 3.08Å; E496-F498 PolarHBondContact O-N 2.82Å; F498-P500 VanDerWaalsContact C-CD 3.43Å; F498-V501 HydrophobicContact CB-CG2 4.38Å; F498-V501 HydrophobicContact CD1-CG2 4.22Å; F498-V501 VanDerWaalsContact O-CB 3.29Å; F498-V501 WeakPolarHBondContact O-CB 3.34Å; F498-V501 WeakPolarHBondContact O-CG2 3.41Å; F498-V501 PolarHBondContact O-N 3.26Å; F498-I539 HydrophobicContact CB-CD1 4.42Å; F498-L541 HydrophobicContact CD1-CD2 4.28Å; F498-L541 HydrophobicContact CE1-CD1 3.85Å; F498-L541 HydrophobicContact CE1-CD2 4.12Å; F498-L541 HydrophobicContact CZ-CD1 4.29Å
499	R	95.1	Very high	95.2	Very high	107 Å²	107	61.3 Å²	61.3	40%	0.404	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-41.6	179.5	-169.8	175.1	-175.8	-165.3	3.7	116	V495 E496 V501 I513 R514	V495-R499 PolarHBondContact O-N 3.14Å; E496-R499 WeakPolarHBondContact O-CB 3.38Å; E496-R499 PolarHBondContact O-N 3.38Å; E496-R499 WeakPolarHBondContact OE1-CD 3.35Å; E496-R499 IonicContact OE1-CZ 3.9Å; E496-R499 IonicContact OE1-NE 3.69Å; E496-R499 IonicContact OE1-NH1 3.63Å; E496-R499 PolarHBondContact OE1-NH1 3.46Å; E496-R499 IonicContact OE2-NH1 3.83Å; R499-V501 PolarHBondContact O-N 3.2Å; R499-I513 HydrophobicContact CG-CB 4.33Å; R499-I513 HydrophobicContact CG-CG2 4.27Å; R499-R514 VanDerWaalsContact CZ-O 3.29Å; R499-R514 PolarHBondContact NE-O 2.83Å; R499-R514 PolarHBondContact NH2-O 3.03Å
500	P	95.5	Very high	95.2	Very high	106 Å²	106	68.1 Å²	68.1	69%	0.688	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-0.4	179.1	30.6	-36.3	0	0	0	114.3	F498	F498-P500 VanDerWaalsContact C-CD 3.43Å
501	V	95.5	Very high	95.3	Very high	8 Å²	8	64.8 Å²	64.8	5%	0.048	30%	0.304	C	S	.	.	S	Bend	trans	-83	134.9	-176.9	-174.4	0	0	0	0	111.8	S292 F498 R499 L503 I539	S292-V501 VanDerWaalsContact CB-CG1 3.46Å; F498-V501 HydrophobicContact CB-CG2 4.38Å; F498-V501 HydrophobicContact CD1-CG2 4.22Å; F498-V501 VanDerWaalsContact O-CB 3.29Å; F498-V501 WeakPolarHBondContact O-CB 3.34Å; F498-V501 WeakPolarHBondContact O-CG2 3.41Å; F498-V501 PolarHBondContact O-N 3.26Å; R499-V501 PolarHBondContact O-N 3.2Å; V501-L503 PolarHBondContact O-N 3.25Å; V501-I539 HydrophobicContact CG1-CG1 4.39Å; V501-I539 HydrophobicContact CG1-CG2 3.73Å
502	E	95.7	Very high	95.4	Very high	41 Å²	41	67 Å²	67	19%	0.192	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-71.7	123.6	173.6	-168.8	167.7	161.9	0	0	110.6	R510 Y512	E502-R510 VanDerWaalsContact OE1-CD 3.3Å; E502-R510 WeakPolarHBondContact OE1-CD 3.43Å; E502-R510 IonicContact OE1-CZ 2.87Å; E502-R510 IonicContact OE1-NE 3.02Å; E502-R510 IonicContact OE1-NH1 3.81Å; E502-Y512 HydrophobicContact CB-CD1 4.32Å; E502-Y512 HydrophobicContact CB-CE1 3.58Å; E502-Y512 VanDerWaalsContact CD-OH 3.31Å; E502-Y512 HydrophobicContact CG-CE1 3.79Å; E502-Y512 PolarHBondContact OE2-OH 3.42Å
503	L	96.9	Very high	95.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.1	172.8	-52.8	176.5	0	0	0	109.2	V501 R510 G511 I513 M523 C525 F527 V537 I539	V501-L503 PolarHBondContact O-N 3.25Å; L503-R510 CarbonylContact O-C 3.45Å; L503-R510 VanDerWaalsContact O-CA 3.27Å; L503-R510 WeakPolarHBondContact O-CA 3.15Å; L503-G511 WeakPolarHBondContact CB-O 3.49Å; L503-G511 PolarHBondContact N-O 2.76Å; L503-G511 PolarHBondContact O-N 2.97Å; L503-I513 HydrophobicContact CD1-CG1 4.08Å; L503-I513 HydrophobicContact CD2-CD1 4.44Å; L503-I513 HydrophobicContact CD2-CG1 4.15Å; L503-I513 HydrophobicContact CG-CG1 4.38Å; L503-M523 HydrophobicContact CD2-CE 4.48Å; L503-C525 HydrophobicContact CD1-CB 3.74Å; L503-C525 WeakPolarHBondContact CD1-SG 3.44Å; L503-F527 HydrophobicContact CB-CE1 4.07Å; L503-F527 HydrophobicContact CB-CZ 4.49Å; L503-F527 HydrophobicContact CD1-CE1 4.29Å; L503-F527 HydrophobicContact CD1-CZ 3.97Å; L503-V537 HydrophobicContact CB-CG1 4.03Å; L503-V537 HydrophobicContact CD1-CG1 4.2Å; L503-V537 HydrophobicContact CD2-CG1 4.35Å; L503-V537 HydrophobicContact CG-CG1 4.43Å; L503-I539 HydrophobicContact CD2-CD1 3.77Å; L503-I539 HydrophobicContact CD2-CG1 3.45Å; L503-I539 VanDerWaalsContact CD2-CG1 3.45Å
504	R	95.6	Very high	95.6	Very high	70 Å²	70	63.9 Å²	63.9	26%	0.264	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	162.5	165.1	68.5	173.9	175.9	70.2	9.4	110.3	V470 R509 F538 D540	V470-R504 VanDerWaalsContact CG1-NH2 3.34Å; R504-R509 CarbonylContact C-O 3.5Å; R504-R509 WeakPolarHBondContact CA-O 3.25Å; R504-F538 HydrophobicContact CG-CB 3.93Å; R504-F538 PolarHBondContact N-O 3.16Å; R504-F538 PolarHBondContact O-N 2.88Å; R504-D540 WeakPolarHBondContact CD-OD2 3.42Å; R504-D540 IonicContact CZ-OD1 3.4Å; R504-D540 IonicContact CZ-OD2 2.7Å; R504-D540 IonicContact NE-OD1 2.85Å; R504-D540 PolarHBondContact NE-OD1 2.94Å; R504-D540 VanDerWaalsContact NE-OD1 3.1Å; R504-D540 IonicContact NE-OD2 2.74Å; R504-D540 PolarHBondContact NE-OD2 2.99Å; R504-D540 IonicContact NH2-OD1 3.28Å; R504-D540 PolarHBondContact NH2-OD1 3.01Å; R504-D540 IonicContact NH2-OD2 3.67Å
505	T	96.3	Very high	95.6	Very high	7 Å²	7	67.8 Å²	67.8	4%	0.043	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	166.7	173.8	74	0	0	0	0	112.8	S507 G508 R509 F527 L531 D535 V536 V537	T505-S507 PolarHBondContact O-N 3.02Å; T505-S507 PolarHBondContact OG1-N 2.7Å; T505-S507 PolarHBondContact OG1-OG 2.96Å; T505-S507 VanDerWaalsContact OG1-OG 3.12Å; T505-G508 PolarHBondContact O-N 2.99Å; T505-G508 VanDerWaalsContact O-N 3.09Å; T505-R509 HydrophobicContact CG2-CB 4.42Å; T505-R509 PolarHBondContact N-O 2.96Å; T505-R509 WeakPolarHBondContact OG1-CB 3.45Å; T505-R509 PolarHBondContact OG1-N 2.88Å; T505-F527 HydrophobicContact CG2-CD1 4.19Å; T505-F527 HydrophobicContact CG2-CE1 3.69Å; T505-F527 HydrophobicContact CG2-CZ 4.34Å; T505-L531 HydrophobicContact CG2-CD1 4.4Å; T505-L531 HydrophobicContact CG2-CD2 3.76Å; T505-D535 WeakPolarHBondContact CB-OD1 3.25Å; T505-D535 VanDerWaalsContact CB-OD2 3.28Å; T505-D535 WeakPolarHBondContact CB-OD2 3.42Å; T505-D535 PolarHBondContact OG1-OD2 2.92Å; T505-V536 CarbonylContact C-O 3.59Å; T505-V536 VanDerWaalsContact CA-O 3.23Å; T505-V536 WeakPolarHBondContact CA-O 3.26Å; T505-V536 WeakPolarHBondContact CB-O 3.32Å; T505-V537 HydrophobicContact CG2-CG2 4.07Å
506	R	93.6	Very high	95.6	Very high	206 Å²	206	68.6 Å²	68.6	78%	0.777	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.4	174.3	-167.9	176.4	176.7	174.3	-0	111.4	G508 D535 V536 F538	R506-G508 PolarHBondContact O-N 2.82Å; R506-D535 WeakPolarHBondContact CA-OD1 3.19Å; R506-D535 WeakPolarHBondContact CB-OD1 3.44Å; R506-D535 PolarHBondContact N-OD1 3.28Å; R506-V536 PolarHBondContact N-O 2.77Å; R506-F538 HydrophobicContact CB-CE2 4.04Å
507	S	93.2	Very high	95.6	Very high	56 Å²	56	68.1 Å²	68.1	39%	0.392	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	6.5	173.3	71.1	0	0	0	0	115.4	T505 R509 D535	T505-S507 PolarHBondContact O-N 3.02Å; T505-S507 PolarHBondContact OG1-N 2.7Å; T505-S507 PolarHBondContact OG1-OG 2.96Å; T505-S507 VanDerWaalsContact OG1-OG 3.12Å; S507-R509 VanDerWaalsContact C-N 3.31Å; S507-R509 PolarHBondContact O-N 3.3Å; S507-R509 PolarHBondContact OG-NH1 3.43Å; S507-R509 VanDerWaalsContact OG-NH1 3.09Å; S507-D535 VanDerWaalsContact CB-OD2 3.29Å; S507-D535 WeakPolarHBondContact CB-OD2 3.01Å; S507-D535 PolarHBondContact N-OD1 3.39Å; S507-D535 VanDerWaalsContact N-OD1 3.08Å; S507-D535 PolarHBondContact OG-OD2 2.93Å
508	G	93.5	Very high	95.4	Very high	60 Å²	60	63.7 Å²	63.7	62%	0.619	31%	0.312	S	S	*	.	S	Bend	trans	78.2	11.7	177.5	0	0	0	0	0	114.7	T505 R506	T505-G508 PolarHBondContact O-N 2.99Å; T505-G508 VanDerWaalsContact O-N 3.09Å; R506-G508 PolarHBondContact O-N 2.82Å
509	R	95.5	Very high	95.2	Very high	64 Å²	64	67.9 Å²	67.9	24%	0.242	34%	0.338	C	S	.	.			trans	-84	155.8	176.6	-66.7	177.4	-178.5	130.7	-15.7	111.2	R504 T505 S507 N528 A529 Q530 L531	R504-R509 CarbonylContact C-O 3.5Å; R504-R509 WeakPolarHBondContact CA-O 3.25Å; T505-R509 HydrophobicContact CG2-CB 4.42Å; T505-R509 PolarHBondContact N-O 2.96Å; T505-R509 WeakPolarHBondContact OG1-CB 3.45Å; T505-R509 PolarHBondContact OG1-N 2.88Å; S507-R509 VanDerWaalsContact C-N 3.31Å; S507-R509 PolarHBondContact O-N 3.3Å; S507-R509 PolarHBondContact OG-NH1 3.43Å; S507-R509 VanDerWaalsContact OG-NH1 3.09Å; R509-N528 WeakPolarHBondContact CB-OD1 3.42Å; R509-A529 HydrophobicContact CG-CB 4.37Å; R509-Q530 PolarHBondContact NH1-O 3.13Å; R509-Q530 PolarHBondContact NH2-O 2.88Å; R509-L531 HydrophobicContact CB-CD2 4.2Å
510	R	96.5	Very high	95.1	Very high	145 Å²	145	69.2 Å²	69.2	55%	0.547	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.2	-176.5	-59	-174.1	-61.2	172.3	-7.8	110.3	E502 L503 F527 N528	E502-R510 VanDerWaalsContact OE1-CD 3.3Å; E502-R510 WeakPolarHBondContact OE1-CD 3.43Å; E502-R510 IonicContact OE1-CZ 2.87Å; E502-R510 IonicContact OE1-NE 3.02Å; E502-R510 IonicContact OE1-NH1 3.81Å; L503-R510 CarbonylContact O-C 3.45Å; L503-R510 VanDerWaalsContact O-CA 3.27Å; L503-R510 WeakPolarHBondContact O-CA 3.15Å; R510-F527 WeakPolarHBondContact O-CA 3.47Å; R510-N528 PolarHBondContact N-OD1 3.42Å; R510-N528 VanDerWaalsContact N-OD1 3.16Å; R510-N528 PolarHBondContact O-N 2.86Å; R510-N528 PolarHBondContact O-OD1 3.36Å
511	G	96.3	Very high	95	Very high	3 Å²	3	64.3 Å²	64.3	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-176.7	-173.5	0	0	0	0	0	113.8	L503 S526	L503-G511 WeakPolarHBondContact CB-O 3.49Å; L503-G511 PolarHBondContact N-O 2.76Å; L503-G511 PolarHBondContact O-N 2.97Å; G511-S526 CarbonylContact C-O 3.04Å; G511-S526 WeakPolarHBondContact CA-O 3.08Å
512	Y	97	Very high	95	Very high	108 Å²	108	67.4 Å²	67.4	42%	0.424	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.1	-179.3	-61.3	-80.1	0	0	0	110.8	E502 C525 S526	E502-Y512 HydrophobicContact CB-CD1 4.32Å; E502-Y512 HydrophobicContact CB-CE1 3.58Å; E502-Y512 VanDerWaalsContact CD-OH 3.31Å; E502-Y512 HydrophobicContact CG-CE1 3.79Å; E502-Y512 PolarHBondContact OE2-OH 3.42Å; Y512-C525 CarbonylContact O-C 3.46Å; Y512-C525 WeakPolarHBondContact O-CA 3.29Å; Y512-S526 PolarHBondContact N-O 2.91Å; Y512-S526 PolarHBondContact O-N 2.79Å
513	I	97.3	Very high	95.1	Very high	9 Å²	9	65.4 Å²	65.4	5%	0.046	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.3	171.8	-59.1	174.3	0	0	0	108.4	V495 R499 L503 M523	V495-I513 HydrophobicContact CG1-CG2 3.72Å; R499-I513 HydrophobicContact CG-CB 4.33Å; R499-I513 HydrophobicContact CG-CG2 4.27Å; L503-I513 HydrophobicContact CD1-CG1 4.08Å; L503-I513 HydrophobicContact CD2-CD1 4.44Å; L503-I513 HydrophobicContact CD2-CG1 4.15Å; L503-I513 HydrophobicContact CG-CG1 4.38Å; I513-M523 HydrophobicContact CD1-CE 4.44Å; I513-M523 HydrophobicContact CD1-SD 3.51Å; I513-M523 VanDerWaalsContact CD1-SD 3.51Å; I513-M523 HydrophobicContact CG1-CE 4.49Å; I513-M523 HydrophobicContact CG1-SD 3.69Å; I513-M523 HydrophobicContact CG2-CB 4.34Å; I513-M523 HydrophobicContact CG2-SD 4.45Å
514	R	95.8	Very high	95.1	Very high	122 Å²	122	68.9 Å²	68.9	46%	0.46	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-54.7	175	-76.6	-168.2	166	-163.9	-1.7	112.1	H482 R499 K524	H482-R514 PolarHBondContact CE1-NH1 3.24Å; H482-R514 PolarHBondContact CE1-NH2 3.17Å; R499-R514 VanDerWaalsContact CZ-O 3.29Å; R499-R514 PolarHBondContact NE-O 2.83Å; R499-R514 PolarHBondContact NH2-O 3.03Å; R514-K524 WeakPolarHBondContact CB-O 3.44Å; R514-K524 PolarHBondContact N-O 2.95Å
515	E	95	Very high	95.2	Very high	85 Å²	85	65.6 Å²	65.6	40%	0.397	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	145	-173	59.4	-168.9	164.7	0	0	110.9	K524	E515-K524 HydrophobicContact CG-CB 3.82Å; E515-K524 HydrophobicContact CG-CD 3.84Å; E515-K524 PolarHBondContact O-N 2.88Å; E515-K524 WeakPolarHBondContact OE1-CD 3.32Å; E515-K524 WeakPolarHBondContact OE1-CE 3.34Å; E515-K524 IonicContact OE1-NZ 3.26Å; E515-K524 PolarHBondContact OE1-NZ 3.07Å
516	P	97	Very high	95.3	Very high	17 Å²	17	66.7 Å²	66.7	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	145	168.8	30.9	-33.9	0	0	0	111.8	R492 V495 E496	R492-P516 HydrophobicContact CG-CB 3.96Å; R492-P516 HydrophobicContact CG-CG 4.03Å; V495-P516 HydrophobicContact CB-CB 4Å; V495-P516 HydrophobicContact CG1-CB 3.78Å; E496-P516 WeakPolarHBondContact OE2-CD 3.12Å
517	I	94.7	Very high	95.4	Very high	69 Å²	69	57.2 Å²	57.2	35%	0.354	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.9	178.9	-63.4	170.2	0	0	0	109	V484 Y522 K524	V484-I517 HydrophobicContact CB-CD1 4.43Å; V484-I517 HydrophobicContact CG1-CD1 3.89Å; V484-I517 HydrophobicContact CG2-CD1 3.71Å; I517-Y522 PolarHBondContact N-O 3.46Å; I517-K524 HydrophobicContact CD1-CB 4.01Å; I517-K524 HydrophobicContact CG1-CB 4.48Å
518	G	92.5	Very high	95.6	Very high	47 Å²	47	59 Å²	59	49%	0.485	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-146.9	-179.6	0	0	0	0	0	113.3	R492	R492-G518 PolarHBondContact NH1-O 3.04Å
519	T	91.3	Very high	95.7	Very high	95 Å²	95	57.8 Å²	57.8	58%	0.583	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-36.3	-177.9	48.1	0	0	0	0	113.1	N491 R492 G521	N491-T519 CarbonylContact C-O 3.51Å; R492-T519 PolarHBondContact N-O 3.1Å; T519-G521 PolarHBondContact O-N 2.96Å
520	H	92.8	Very high	95.7	Very high	135 Å²	135	59.9 Å²	59.9	63%	0.625	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	29.8	-170.2	-53.2	-65.9	0	0	0	116	F490 Y522	F490-H520 CarbonylContact O-C 3.07Å; F490-H520 VanDerWaalsContact O-CA 3.23Å; F490-H520 WeakPolarHBondContact O-CA 2.94Å; H520-Y522 VanDerWaalsContact C-N 3.25Å; H520-Y522 HydrophobicContact CB-CD2 4Å; H520-Y522 HydrophobicContact CB-CE2 3.91Å; H520-Y522 PolarHBondContact O-N 2.79Å; H520-Y522 VanDerWaalsContact O-N 3.15Å
521	G	93.1	Very high	95.6	Very high	3 Å²	3	53.3 Å²	53.3	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	13.7	175.3	0	0	0	0	0	116.6	F490 V495 T519	F490-G521 PolarHBondContact O-N 2.86Å; V495-G521 WeakPolarHBondContact CG2-O 3.28Å; T519-G521 PolarHBondContact O-N 2.96Å
522	Y	96.4	Very high	95.5	Very high	73 Å²	73	56 Å²	56	29%	0.286	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	145.4	167.6	-69.2	-88.7	0	0	0	110	V484 R486 I517 H520	V484-Y522 HydrophobicContact CG1-CD1 4.39Å; R486-Y522 HydrophobicContact CB-CD1 3.68Å; R486-Y522 HydrophobicContact CB-CE1 3.46Å; R486-Y522 VanDerWaalsContact CB-CE1 3.46Å; R486-Y522 HydrophobicContact CG-CE1 4.47Å; I517-Y522 PolarHBondContact N-O 3.46Å; H520-Y522 VanDerWaalsContact C-N 3.25Å; H520-Y522 HydrophobicContact CB-CD2 4Å; H520-Y522 HydrophobicContact CB-CE2 3.91Å; H520-Y522 PolarHBondContact O-N 2.79Å; H520-Y522 VanDerWaalsContact O-N 3.15Å
523	M	96.8	Very high	95.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.5	-177.3	63.2	178	-174.7	0	0	112.7	V484 V485 M488 F489 V495 L503 I513	V484-M523 CarbonylContact C-O 3.42Å; V484-M523 VanDerWaalsContact CA-O 3.3Å; V484-M523 WeakPolarHBondContact CA-O 3.23Å; V485-M523 HydrophobicContact CB-CE 3.78Å; V485-M523 HydrophobicContact CB-CG 4.04Å; V485-M523 HydrophobicContact CG1-CE 3.72Å; V485-M523 HydrophobicContact CG2-CE 4.4Å; V485-M523 PolarHBondContact N-O 3Å; V485-M523 PolarHBondContact O-N 3.24Å; M488-M523 HydrophobicContact CB-CE 4.14Å; M488-M523 HydrophobicContact CE-CE 4.3Å; M488-M523 HydrophobicContact CG-CE 4.35Å; M488-M523 HydrophobicContact SD-CE 3.46Å; M488-M523 WeakPolarHBondContact SD-CE 3.47Å; F489-M523 HydrophobicContact CD2-SD 4.32Å; F489-M523 HydrophobicContact CE2-SD 4.47Å; V495-M523 HydrophobicContact CG1-CB 3.51Å; V495-M523 HydrophobicContact CG1-SD 4.3Å; V495-M523 HydrophobicContact CG2-CB 4.15Å; L503-M523 HydrophobicContact CD2-CE 4.48Å; I513-M523 HydrophobicContact CD1-CE 4.44Å; I513-M523 HydrophobicContact CD1-SD 3.51Å; I513-M523 VanDerWaalsContact CD1-SD 3.51Å; I513-M523 HydrophobicContact CG1-CE 4.49Å; I513-M523 HydrophobicContact CG1-SD 3.69Å; I513-M523 HydrophobicContact CG2-CB 4.34Å; I513-M523 HydrophobicContact CG2-SD 4.45Å
524	K	97.3	Very high	95.1	Very high	73 Å²	73	64 Å²	64	32%	0.317	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.8	173.7	-164.2	-177.4	-175.4	172.5	0	109.1	R514 E515 I517	R514-K524 WeakPolarHBondContact CB-O 3.44Å; R514-K524 PolarHBondContact N-O 2.95Å; E515-K524 HydrophobicContact CG-CB 3.82Å; E515-K524 HydrophobicContact CG-CD 3.84Å; E515-K524 PolarHBondContact O-N 2.88Å; E515-K524 WeakPolarHBondContact OE1-CD 3.32Å; E515-K524 WeakPolarHBondContact OE1-CE 3.34Å; E515-K524 IonicContact OE1-NZ 3.26Å; E515-K524 PolarHBondContact OE1-NZ 3.07Å; I517-K524 HydrophobicContact CD1-CB 4.01Å; I517-K524 HydrophobicContact CG1-CB 4.48Å
525	C	97.7	Very high	95.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	153.8	-177.6	-57.8	0	0	0	0	110.9	H482 A483 V485 L503 Y512 F527	H482-C525 WeakPolarHBondContact CA-O 3.46Å; A483-C525 PolarHBondContact N-O 3.14Å; A483-C525 VanDerWaalsContact N-O 3.08Å; A483-C525 PolarHBondContact O-N 3.23Å; V485-C525 HydrophobicContact CG2-CB 4.27Å; L503-C525 HydrophobicContact CD1-CB 3.74Å; L503-C525 WeakPolarHBondContact CD1-SG 3.44Å; Y512-C525 CarbonylContact O-C 3.46Å; Y512-C525 WeakPolarHBondContact O-CA 3.29Å; C525-F527 HydrophobicContact CB-CD2 4.25Å; C525-F527 HydrophobicContact CB-CE2 3.41Å; C525-F527 VanDerWaalsContact CB-CE2 3.41Å; C525-F527 HydrophobicContact CB-CZ 3.82Å
526	S	97.2	Very high	95.1	Very high	30 Å²	30	55.6 Å²	55.6	21%	0.21	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.7	175.1	-170.9	0	0	0	0	109.3	H482 G511 Y512	H482-S526 PolarHBondContact CE1-OG 2.97Å; H482-S526 VanDerWaalsContact CE1-OG 3.28Å; G511-S526 CarbonylContact C-O 3.04Å; G511-S526 WeakPolarHBondContact CA-O 3.08Å; Y512-S526 PolarHBondContact N-O 2.91Å; Y512-S526 PolarHBondContact O-N 2.79Å
527	F	97.3	Very high	95.1	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	159.6	-178.1	-65.2	-83.7	0	0	0	111.7	R481 A483 L503 T505 R510 C525 A529 L531 V537	R481-F527 PolarHBondContact O-N 3.19Å; A483-F527 HydrophobicContact CB-CD2 4.46Å; A483-F527 HydrophobicContact CB-CE2 4.18Å; L503-F527 HydrophobicContact CB-CE1 4.07Å; L503-F527 HydrophobicContact CB-CZ 4.49Å; L503-F527 HydrophobicContact CD1-CE1 4.29Å; L503-F527 HydrophobicContact CD1-CZ 3.97Å; T505-F527 HydrophobicContact CG2-CD1 4.19Å; T505-F527 HydrophobicContact CG2-CE1 3.69Å; T505-F527 HydrophobicContact CG2-CZ 4.34Å; R510-F527 WeakPolarHBondContact O-CA 3.47Å; C525-F527 HydrophobicContact CB-CD2 4.25Å; C525-F527 HydrophobicContact CB-CE2 3.41Å; C525-F527 VanDerWaalsContact CB-CE2 3.41Å; C525-F527 HydrophobicContact CB-CZ 3.82Å; F527-A529 VanDerWaalsContact C-N 3.26Å; F527-A529 WeakPolarHBondContact CB-O 3.21Å; F527-A529 PolarHBondContact O-N 2.9Å; F527-L531 HydrophobicContact CB-CD2 4.44Å; F527-L531 HydrophobicContact CD1-CD2 4.08Å; F527-L531 HydrophobicContact CD2-CD1 3.91Å; F527-L531 HydrophobicContact CD2-CD2 4.16Å; F527-L531 HydrophobicContact CD2-CG 3.95Å; F527-L531 HydrophobicContact CE1-CD1 4.43Å; F527-L531 HydrophobicContact CE1-CD2 4.41Å; F527-L531 HydrophobicContact CE2-CD1 3.56Å; F527-L531 HydrophobicContact CE2-CD2 4.48Å; F527-L531 HydrophobicContact CE2-CG 4.14Å; F527-L531 HydrophobicContact CG-CD1 4.48Å; F527-L531 HydrophobicContact CG-CD2 3.96Å; F527-L531 HydrophobicContact CG-CG 4.25Å; F527-L531 HydrophobicContact CZ-CD1 3.86Å; F527-V537 HydrophobicContact CE1-CG1 4.29Å; F527-V537 HydrophobicContact CZ-CG1 3.92Å; F527-V537 HydrophobicContact CZ-CG2 3.96Å
528	N	96	Very high	95.2	Very high	92 Å²	92	52.1 Å²	52.1	49%	0.492	29%	0.29	S	S	.	.	S	Bend	trans	-63	-31.2	172.9	62.9	-24.3	0	0	0	113.2	R509 R510	R509-N528 WeakPolarHBondContact CB-OD1 3.42Å; R510-N528 PolarHBondContact N-OD1 3.42Å; R510-N528 VanDerWaalsContact N-OD1 3.16Å; R510-N528 PolarHBondContact O-N 2.86Å; R510-N528 PolarHBondContact O-OD1 3.36Å
529	A	95.5	Very high	95.4	Very high	35 Å²	35	49.9 Å²	49.9	29%	0.289	27%	0.267	S	S	.	.	S	Bend	trans	-145.4	167.3	179.3	0	0	0	0	0	112.1	R509 F527 L531	R509-A529 HydrophobicContact CG-CB 4.37Å; F527-A529 VanDerWaalsContact C-N 3.26Å; F527-A529 WeakPolarHBondContact CB-O 3.21Å; F527-A529 PolarHBondContact O-N 2.9Å; A529-L531 PolarHBondContact O-N 3.38Å
530	Q	95.5	Very high	95.6	Very high	109 Å²	109	46.8 Å²	46.8	51%	0.509	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-74.4	117.1	-174.2	179.1	171.3	-11	0	0	113.4	I478 R480 R509	I478-Q530 HydrophobicContact CG2-CG 3.94Å; R480-Q530 WeakPolarHBondContact O-CA 3.43Å; R480-Q530 WeakPolarHBondContact O-CB 3.49Å; R480-Q530 VanDerWaalsContact O-CG 3.28Å; R480-Q530 WeakPolarHBondContact O-CG 3.19Å; R509-Q530 PolarHBondContact NH1-O 3.13Å; R509-Q530 PolarHBondContact NH2-O 2.88Å
531	L	95.7	Very high	95.8	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.031	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-60.7	142.7	177	-56.3	-167.7	0	0	0	112.3	P475 I478 A483 T505 R509 F527 A529 V537	P475-L531 HydrophobicContact CB-CD1 4.3Å; I478-L531 HydrophobicContact CD1-CB 4.36Å; A483-L531 HydrophobicContact CB-CD1 4.13Å; T505-L531 HydrophobicContact CG2-CD1 4.4Å; T505-L531 HydrophobicContact CG2-CD2 3.76Å; R509-L531 HydrophobicContact CB-CD2 4.2Å; F527-L531 HydrophobicContact CB-CD2 4.44Å; F527-L531 HydrophobicContact CD1-CD2 4.08Å; F527-L531 HydrophobicContact CD2-CD1 3.91Å; F527-L531 HydrophobicContact CD2-CD2 4.16Å; F527-L531 HydrophobicContact CD2-CG 3.95Å; F527-L531 HydrophobicContact CE1-CD1 4.43Å; F527-L531 HydrophobicContact CE1-CD2 4.41Å; F527-L531 HydrophobicContact CE2-CD1 3.56Å; F527-L531 HydrophobicContact CE2-CD2 4.48Å; F527-L531 HydrophobicContact CE2-CG 4.14Å; F527-L531 HydrophobicContact CG-CD1 4.48Å; F527-L531 HydrophobicContact CG-CD2 3.96Å; F527-L531 HydrophobicContact CG-CG 4.25Å; F527-L531 HydrophobicContact CZ-CD1 3.86Å; A529-L531 PolarHBondContact O-N 3.38Å; L531-V537 HydrophobicContact CD1-CG2 3.88Å
532	P	94.7	Very high	96.1	Very high	60 Å²	60	41 Å²	41	39%	0.39	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-73.5	160.8	161.6	35.8	-38.6	0	0	0	109.7	Q534 D535	P532-Q534 PolarHBondContact O-N 3.14Å; P532-D535 HydrophobicContact CG-CB 3.84Å; P532-D535 PolarHBondContact O-N 3.21Å
533	S	92.3	Very high	96.1	Very high	101 Å²	101	40.6 Å²	40.6	71%	0.706	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.4	176.9	-165.7	0	0	0	0	114.4
534	Q	93.6	Very high	96.1	Very high	184 Å²	184	41.3 Å²	41.3	86%	0.86	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	2.3	-179.7	-63	177.3	-5.4	0	0	113.3	P532	P532-Q534 PolarHBondContact O-N 3.14Å
535	D	94.9	Very high	96	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.032	21%	0.212	C	C	.	.			trans	-70.8	158.2	-179.2	-141.8	-18.5	0	0	0	111.8	P475 T505 R506 S507 P532	P475-D535 WeakPolarHBondContact CD-O 3.49Å; T505-D535 WeakPolarHBondContact CB-OD1 3.25Å; T505-D535 VanDerWaalsContact CB-OD2 3.28Å; T505-D535 WeakPolarHBondContact CB-OD2 3.42Å; T505-D535 PolarHBondContact OG1-OD2 2.92Å; R506-D535 WeakPolarHBondContact CA-OD1 3.19Å; R506-D535 WeakPolarHBondContact CB-OD1 3.44Å; R506-D535 PolarHBondContact N-OD1 3.28Å; S507-D535 VanDerWaalsContact CB-OD2 3.29Å; S507-D535 WeakPolarHBondContact CB-OD2 3.01Å; S507-D535 PolarHBondContact N-OD1 3.39Å; S507-D535 VanDerWaalsContact N-OD1 3.08Å; S507-D535 PolarHBondContact OG-OD2 2.93Å; P532-D535 HydrophobicContact CG-CB 3.84Å; P532-D535 PolarHBondContact O-N 3.21Å
536	V	95.7	Very high	95.9	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.145	22%	0.22	C	C	.	.			trans	-118.6	129.4	167.3	-175.8	0	0	0	0	107.6	T505 R506 F538	T505-V536 CarbonylContact C-O 3.59Å; T505-V536 VanDerWaalsContact CA-O 3.23Å; T505-V536 WeakPolarHBondContact CA-O 3.26Å; T505-V536 WeakPolarHBondContact CB-O 3.32Å; R506-V536 PolarHBondContact N-O 2.77Å; V536-F538 HydrophobicContact CB-CE1 4.25Å; V536-F538 HydrophobicContact CB-CE2 3.97Å; V536-F538 HydrophobicContact CB-CZ 3.73Å; V536-F538 HydrophobicContact CG1-CD1 4.07Å; V536-F538 HydrophobicContact CG1-CE1 3.55Å; V536-F538 HydrophobicContact CG1-CE2 4.09Å; V536-F538 HydrophobicContact CG1-CZ 3.57Å; V536-F538 WeakPolarHBondContact O-CD2 3.11Å; V536-F538 WeakPolarHBondContact O-CE2 3.3Å
537	V	96.9	Very high	95.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.1	174.8	-173.6	0	0	0	0	107.8	S472 G473 V485 M488 L503 T505 F527 L531	S472-V537 CarbonylContact C-O 3.56Å; G473-V537 PolarHBondContact N-O 3.08Å; G473-V537 PolarHBondContact O-N 2.85Å; V485-V537 HydrophobicContact CG1-CB 4.3Å; V485-V537 HydrophobicContact CG1-CG2 4.45Å; V485-V537 HydrophobicContact CG2-CB 4.43Å; V485-V537 HydrophobicContact CG2-CG2 3.9Å; M488-V537 HydrophobicContact CE-CB 4.19Å; M488-V537 HydrophobicContact CE-CG1 4.06Å; M488-V537 WeakPolarHBondContact CE-O 3.34Å; L503-V537 HydrophobicContact CB-CG1 4.03Å; L503-V537 HydrophobicContact CD1-CG1 4.2Å; L503-V537 HydrophobicContact CD2-CG1 4.35Å; L503-V537 HydrophobicContact CG-CG1 4.43Å; T505-V537 HydrophobicContact CG2-CG2 4.07Å; F527-V537 HydrophobicContact CE1-CG1 4.29Å; F527-V537 HydrophobicContact CZ-CG1 3.92Å; F527-V537 HydrophobicContact CZ-CG2 3.96Å; L531-V537 HydrophobicContact CD1-CG2 3.88Å
538	F	96.8	Very high	95.7	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.057	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.9	-176.8	-56.2	-79.9	0	0	0	111.8	V470 L471 R504 R506 V536	V470-F538 HydrophobicContact CG1-CB 3.98Å; V470-F538 HydrophobicContact CG1-CD1 3.46Å; V470-F538 VanDerWaalsContact CG1-CD1 3.46Å; V470-F538 HydrophobicContact CG1-CE1 4.21Å; V470-F538 HydrophobicContact CG1-CG 4.04Å; L471-F538 CarbonylContact O-C 3.49Å; L471-F538 VanDerWaalsContact O-CA 3.25Å; L471-F538 WeakPolarHBondContact O-CA 3.47Å; R504-F538 HydrophobicContact CG-CB 3.93Å; R504-F538 PolarHBondContact N-O 3.16Å; R504-F538 PolarHBondContact O-N 2.88Å; R506-F538 HydrophobicContact CB-CE2 4.04Å; V536-F538 HydrophobicContact CB-CE1 4.25Å; V536-F538 HydrophobicContact CB-CE2 3.97Å; V536-F538 HydrophobicContact CB-CZ 3.73Å; V536-F538 HydrophobicContact CG1-CD1 4.07Å; V536-F538 HydrophobicContact CG1-CE1 3.55Å; V536-F538 HydrophobicContact CG1-CE2 4.09Å; V536-F538 HydrophobicContact CG1-CZ 3.57Å; V536-F538 WeakPolarHBondContact O-CD2 3.11Å; V536-F538 WeakPolarHBondContact O-CE2 3.3Å
539	I	96.2	Very high	95.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130	163	-74.6	177.7	0	0	0	108.6	V470 L471 M488 F489 F498 V501 L503 L541	V470-I539 WeakPolarHBondContact CA-O 3.47Å; L471-I539 HydrophobicContact CB-CB 4.42Å; L471-I539 PolarHBondContact N-O 3.21Å; L471-I539 PolarHBondContact O-N 2.79Å; M488-I539 HydrophobicContact CE-CG1 4.34Å; M488-I539 HydrophobicContact SD-CB 4.34Å; M488-I539 HydrophobicContact SD-CD1 3.42Å; M488-I539 WeakPolarHBondContact SD-CD1 3.39Å; M488-I539 HydrophobicContact SD-CG1 3.65Å; F489-I539 HydrophobicContact CE2-CD1 3.85Å; F489-I539 HydrophobicContact CZ-CD1 3.8Å; F498-I539 HydrophobicContact CB-CD1 4.42Å; V501-I539 HydrophobicContact CG1-CG1 4.39Å; V501-I539 HydrophobicContact CG1-CG2 3.73Å; L503-I539 HydrophobicContact CD2-CD1 3.77Å; L503-I539 HydrophobicContact CD2-CG1 3.45Å; L503-I539 VanDerWaalsContact CD2-CG1 3.45Å; I539-L541 HydrophobicContact CG2-CD2 3.66Å; I539-L541 HydrophobicContact CG2-CG 3.78Å
540	D	96.2	Very high	95.5	Very high	31 Å²	31	46.5 Å²	46.5	17%	0.166	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.7	170.4	-72.4	-29.7	0	0	0	110.7	V470 R504 Y542	V470-D540 WeakPolarHBondContact CG2-OD1 3.2Å; R504-D540 WeakPolarHBondContact CD-OD2 3.42Å; R504-D540 IonicContact CZ-OD1 3.4Å; R504-D540 IonicContact CZ-OD2 2.7Å; R504-D540 IonicContact NE-OD1 2.85Å; R504-D540 PolarHBondContact NE-OD1 2.94Å; R504-D540 VanDerWaalsContact NE-OD1 3.1Å; R504-D540 IonicContact NE-OD2 2.74Å; R504-D540 PolarHBondContact NE-OD2 2.99Å; R504-D540 IonicContact NH2-OD1 3.28Å; R504-D540 PolarHBondContact NH2-OD1 3.01Å; R504-D540 IonicContact NH2-OD2 3.67Å; D540-Y542 HydrophobicContact CB-CE2 3.71Å
541	L	97	Very high	95.4	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.7	174	-64.1	-174.5	0	0	0	110.9	F287 Y290 R468 V469 L471 F498 I539	F287-L541 HydrophobicContact CB-CD1 3.92Å; F287-L541 HydrophobicContact CD1-CD1 4.47Å; F287-L541 HydrophobicContact CD2-CD1 4.42Å; F287-L541 HydrophobicContact CG-CD1 4.02Å; Y290-L541 HydrophobicContact CD1-CB 4.01Å; Y290-L541 HydrophobicContact CG-CB 4.27Å; R468-L541 CarbonylContact C-O 3.52Å; R468-L541 WeakPolarHBondContact CA-O 3.18Å; V469-L541 PolarHBondContact N-O 2.93Å; V469-L541 PolarHBondContact O-N 2.8Å; L471-L541 HydrophobicContact CD1-CD1 3.95Å; L471-L541 HydrophobicContact CG-CD1 4.42Å; F498-L541 HydrophobicContact CD1-CD2 4.28Å; F498-L541 HydrophobicContact CE1-CD1 3.85Å; F498-L541 HydrophobicContact CE1-CD2 4.12Å; F498-L541 HydrophobicContact CZ-CD1 4.29Å; I539-L541 HydrophobicContact CG2-CD2 3.66Å; I539-L541 HydrophobicContact CG2-CG 3.78Å
542	Y	97.6	Very high	95.2	Very high	15 Å²	15	45.2 Å²	45.2	6%	0.059	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.4	-178.8	-61.9	-85.9	0	0	0	111.9	Y290 R291 L293 F296 K467 R468 D540	Y290-Y542 CarbonylContact C-O 3.6Å; Y290-Y542 WeakPolarHBondContact CA-O 3.36Å; R291-Y542 PolarHBondContact N-O 2.78Å; R291-Y542 PolarHBondContact O-N 2.79Å; L293-Y542 HydrophobicContact CB-CD2 3.95Å; L293-Y542 HydrophobicContact CB-CE2 4.17Å; L293-Y542 HydrophobicContact CD1-CD1 4.44Å; L293-Y542 HydrophobicContact CD1-CD2 3.78Å; L293-Y542 HydrophobicContact CD1-CE2 4.37Å; L293-Y542 HydrophobicContact CD1-CG 3.82Å; L293-Y542 HydrophobicContact CG-CD2 3.78Å; L293-Y542 HydrophobicContact CG-CE2 4.45Å; L293-Y542 HydrophobicContact CG-CG 4.22Å; F296-Y542 AromaticContact CD2-CD1 3.78Å; F296-Y542 HydrophobicContact CD2-CD1 3.78Å; F296-Y542 AromaticContact CD2-CE1 3.34Å; F296-Y542 HydrophobicContact CD2-CE1 3.34Å; F296-Y542 AromaticContact CD2-CZ 3.85Å; F296-Y542 AromaticContact CE2-CD1 3.86Å; F296-Y542 HydrophobicContact CE2-CD1 3.86Å; F296-Y542 AromaticContact CE2-CE1 3.74Å; F296-Y542 HydrophobicContact CE2-CE1 3.74Å; F296-Y542 HydrophobicContact CG-CE1 4.36Å; K467-Y542 WeakPolarHBondContact O-CA 3.14Å; R468-Y542 HydrophobicContact CB-CD1 4.05Å; R468-Y542 HydrophobicContact CB-CE1 3.76Å; R468-Y542 HydrophobicContact CG-CD1 4.25Å; R468-Y542 HydrophobicContact CG-CE1 3.68Å; D540-Y542 HydrophobicContact CB-CE2 3.71Å
543	K	96.5	Very high	94.8	Very high	65 Å²	65	44.2 Å²	44.2	28%	0.283	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.7	174.7	170.2	175.6	179.6	-175.7	0	110.5	K289 Y290 L466 K467 V545	K289-K543 HydrophobicContact CB-CD 3.85Å; K289-K543 WeakPolarHBondContact O-CB 3.05Å; K289-K543 WeakPolarHBondContact O-CD 3.36Å; K289-K543 VanDerWaalsContact O-CG 3.26Å; K289-K543 WeakPolarHBondContact O-CG 3.44Å; Y290-K543 HydrophobicContact CD1-CB 3.36Å; Y290-K543 HydrophobicContact CD2-CB 4.2Å; Y290-K543 HydrophobicContact CD2-CD 4.19Å; Y290-K543 HydrophobicContact CE1-CB 3.47Å; Y290-K543 VanDerWaalsContact CE1-CB 3.47Å; Y290-K543 HydrophobicContact CE1-CD 4.4Å; Y290-K543 HydrophobicContact CE2-CB 4.33Å; Y290-K543 HydrophobicContact CE2-CD 3.94Å; Y290-K543 HydrophobicContact CG-CB 3.74Å; L466-K543 CarbonylContact C-O 3.43Å; L466-K543 WeakPolarHBondContact CA-O 3.4Å; K467-K543 PolarHBondContact N-O 2.87Å; K467-K543 PolarHBondContact O-N 2.91Å; K543-V545 PolarHBondContact O-N 2.99Å
544	R	97.1	Very high	94.3	Very high	15 Å²	15	42.5 Å²	42.5	6%	0.057	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.3	171.4	-166.6	171.5	-177.4	-166.6	7.1	111.5	W301 P303 E305 I465 L466 F546	W301-R544 HydrophobicContact CZ2-CB 3.74Å; P303-R544 PolarHBondContact O-NH1 3.19Å; P303-R544 PolarHBondContact O-NH2 3.45Å; E305-R544 PolarHBondContact O-NH1 3.35Å; I465-R544 WeakPolarHBondContact O-CA 3.33Å; L466-R544 HydrophobicContact CD2-CB 4.01Å; L466-R544 HydrophobicContact CD2-CG 4.4Å; R544-F546 VanDerWaalsContact CD-CZ 3.49Å; R544-F546 HydrophobicContact CG-CE1 4.18Å; R544-F546 HydrophobicContact CG-CE2 4.16Å; R544-F546 HydrophobicContact CG-CZ 3.87Å; R544-F546 VanDerWaalsContact CZ-CE1 3.49Å
545	V	95.9	Very high	93.7	Very high	20 Å²	20	33.8 Å²	33.8	12%	0.121	16%	0.16	C	C	.	.			trans	-116.2	123.9	177.3	174.9	0	0	0	0	109.1	V403 V415 I465 K467 K543	V403-V545 HydrophobicContact CG1-CG1 4.17Å; V403-V545 HydrophobicContact CG2-CG1 4.32Å; V415-V545 HydrophobicContact CG2-CB 4.28Å; V415-V545 HydrophobicContact CG2-CG2 4.45Å; I465-V545 PolarHBondContact O-N 3.17Å; K467-V545 HydrophobicContact CB-CG2 3.49Å; K467-V545 VanDerWaalsContact CB-CG2 3.49Å; K543-V545 PolarHBondContact O-N 2.99Å
546	F	95.7	Very high	92.6	Very high	40 Å²	40	34.5 Å²	34.5	18%	0.175	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-96.5	149.1	171.8	-56	-79	0	0	0	109.8	N306 L307 P308 Y311 R544	N306-F546 WeakPolarHBondContact O-CE2 3.37Å; N306-F546 WeakPolarHBondContact O-CZ 3.42Å; L307-F546 HydrophobicContact CD2-CE1 3.76Å; L307-F546 HydrophobicContact CD2-CZ 4.08Å; P308-F546 HydrophobicContact CG-CB 4.03Å; P308-F546 HydrophobicContact CG-CD1 4.18Å; P308-F546 HydrophobicContact CG-CD2 4.06Å; P308-F546 HydrophobicContact CG-CG 3.83Å; Y311-F546 HydrophobicContact CD2-CD1 4.44Å; Y311-F546 HydrophobicContact CE2-CB 4.45Å; Y311-F546 AromaticContact CE2-CD1 3.54Å; Y311-F546 HydrophobicContact CE2-CD1 3.54Å; Y311-F546 HydrophobicContact CE2-CE1 4.16Å; Y311-F546 HydrophobicContact CE2-CG 4.34Å; Y311-F546 AromaticContact CZ-CD1 3.68Å; R544-F546 VanDerWaalsContact CD-CZ 3.49Å; R544-F546 HydrophobicContact CG-CE1 4.18Å; R544-F546 HydrophobicContact CG-CE2 4.16Å; R544-F546 HydrophobicContact CG-CZ 3.87Å; R544-F546 VanDerWaalsContact CZ-CE1 3.49Å
547	P	95.7	Very high	91.5	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.032	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-64.3	160	166.8	28.5	-32.8	0	0	0	110.9	L368 V403 F430	L368-P547 HydrophobicContact CD1-CG 3.87Å; V403-P547 HydrophobicContact CG2-CB 4.12Å; F430-P547 HydrophobicContact CD2-CG 4.27Å; F430-P547 HydrophobicContact CE1-CG 4.21Å; F430-P547 HydrophobicContact CE2-CB 4.43Å; F430-P547 HydrophobicContact CE2-CG 3.93Å; F430-P547 WeakPolarHBondContact CE2-O 3.48Å; F430-P547 HydrophobicContact CZ-CG 3.91Å
548	K	94.7	Very high	90.4	Very high	147 Å²	147	41.7 Å²	41.7	64%	0.639	19%	0.192	S	C	*	.	P	Polyproline II helix	trans	-95.5	144.7	173.1	-71.5	-171.4	173	-169.6	0	110.1	T550	K548-T550 HydrophobicContact CB-CG2 3.95Å; K548-T550 PolarHBondContact O-N 2.91Å; K548-T550 PolarHBondContact O-OG1 2.84Å
549	W	94.3	Very high	89.2	Confident	92 Å²	92	42.3 Å²	42.3	35%	0.348	20%	0.197	S	C	.	.			trans	-65.8	102.5	167.8	-159.6	-78.4	0	0	0	110.1	D310 R313 I314 M366 F430	D310-W549 HydrophobicContact CB-CE3 4.38Å; R313-W549 HydrophobicContact CB-CH2 4.33Å; R313-W549 HydrophobicContact CB-CZ3 4.23Å; I314-W549 HydrophobicContact CG2-CZ3 4Å; M366-W549 HydrophobicContact CB-CH2 3.78Å; M366-W549 HydrophobicContact CE-CH2 3.71Å; M366-W549 HydrophobicContact CE-CZ2 3.56Å; M366-W549 HydrophobicContact CE-CZ3 4.36Å; M366-W549 HydrophobicContact CG-CH2 3.73Å; M366-W549 HydrophobicContact CG-CZ2 4.02Å; F430-W549 HydrophobicContact CB-CE3 4.04Å; F430-W549 HydrophobicContact CB-CZ3 4.31Å; F430-W549 HydrophobicContact CD2-CB 4.32Å; F430-W549 HydrophobicContact CD2-CD2 4.47Å; F430-W549 AromaticContact CD2-CE3 3.83Å; F430-W549 HydrophobicContact CD2-CE3 3.83Å; F430-W549 HydrophobicContact CE2-CE3 4.4Å; F430-W549 AromaticContact CG-CE3 3.93Å; F430-W549 HydrophobicContact CG-CE3 3.93Å; F430-W549 HydrophobicContact CG-CZ3 4.32Å
550	T	93	Very high	87.9	Confident	43 Å²	43	47.5 Å²	47.5	26%	0.264	22%	0.219	S	C	.	.			trans	-137.8	18.9	-173.4	44.6	0	0	0	0	111.5	S401 K548 D552	S401-T550 PolarHBondContact N-OG1 2.82Å; K548-T550 HydrophobicContact CB-CG2 3.95Å; K548-T550 PolarHBondContact O-N 2.91Å; K548-T550 PolarHBondContact O-OG1 2.84Å; T550-D552 PolarHBondContact O-N 3.16Å
551	Y	93.1	Very high	86.4	Confident	56 Å²	56	48.9 Å²	48.9	22%	0.22	24%	0.235	C	C	.	.			trans	-72.8	118.5	-177.7	172.6	-97.4	0	0	0	110.9	M366 Y398 F399 V400 A431 P432 P553	M366-Y551 HydrophobicContact CE-CD1 4.14Å; M366-Y551 HydrophobicContact CE-CD2 4.33Å; M366-Y551 HydrophobicContact CE-CG 3.91Å; Y398-Y551 HydrophobicContact CD1-CD2 4.23Å; Y398-Y551 AromaticContact CD1-CE2 3.49Å; Y398-Y551 HydrophobicContact CD1-CE2 3.49Å; Y398-Y551 VanDerWaalsContact CD1-CE2 3.49Å; Y398-Y551 HydrophobicContact CD2-CD2 4.25Å; Y398-Y551 HydrophobicContact CD2-CE2 4.31Å; Y398-Y551 HydrophobicContact CE1-CE2 4.18Å; Y398-Y551 AromaticContact CG-CD2 3.86Å; Y398-Y551 HydrophobicContact CG-CD2 3.86Å; Y398-Y551 AromaticContact CG-CE2 3.54Å; Y398-Y551 HydrophobicContact CG-CE2 3.54Å; F399-Y551 WeakPolarHBondContact O-CA 3.48Å; V400-Y551 HydrophobicContact CG1-CD2 4.42Å; A431-Y551 HydrophobicContact CB-CD2 4.4Å; P432-Y551 HydrophobicContact CG-CE2 3.89Å; P432-Y551 WeakPolarHBondContact CG-OH 3.47Å; Y551-P553 HydrophobicContact CE1-CB 4.21Å; Y551-P553 HydrophobicContact CE1-CG 4.13Å
552	D	91.5	Very high	84.8	Confident	32 Å²	32	51.4 Å²	51.4	17%	0.171	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-125.4	118.4	168.4	-171	-14.9	0	0	0	110.6	Y398 F399 T550 L554 R558	Y398-D552 CarbonylContact C-O 3.17Å; Y398-D552 WeakPolarHBondContact CA-O 3.38Å; Y398-D552 WeakPolarHBondContact CB-O 3.34Å; F399-D552 HydrophobicContact CB-CB 4.4Å; F399-D552 PolarHBondContact N-O 3.4Å; F399-D552 PolarHBondContact O-N 3.03Å; F399-D552 VanDerWaalsContact O-N 3.08Å; T550-D552 PolarHBondContact O-N 3.16Å; D552-L554 WeakPolarHBondContact OD1-CB 2.89Å; D552-L554 PolarHBondContact OD1-N 3.41Å; D552-R558 IonicContact OD2-CZ 2.69Å; D552-R558 IonicContact OD2-NE 3.1Å; D552-R558 PolarHBondContact OD2-NE 3.31Å; D552-R558 IonicContact OD2-NH2 3.3Å; D552-R558 PolarHBondContact OD2-NH2 3.35Å
553	P	86.3	Confident	82.9	Confident	39 Å²	39	53.8 Å²	53.8	25%	0.253	26%	0.263	S	S	.	.			trans	-79.7	-16.9	177.1	32.7	-34.6	0	0	0	114.7	Y551 V555	Y551-P553 HydrophobicContact CE1-CB 4.21Å; Y551-P553 HydrophobicContact CE1-CG 4.13Å; P553-V555 PolarHBondContact O-N 2.95Å
554	L	81.6	Confident	80.7	Confident	65 Å²	65	54.1 Å²	54.1	34%	0.34	27%	0.272	S	S	.	.			trans	-80.6	59.2	-169.4	-61.4	175.2	0	0	0	112.2	D552 Q557 R558	D552-L554 WeakPolarHBondContact OD1-CB 2.89Å; D552-L554 PolarHBondContact OD1-N 3.41Å; L554-Q557 HydrophobicContact CB-CB 4.5Å; L554-R558 PolarHBondContact O-N 2.63Å
555	V	80.3	Confident	78.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-50.1	-172.6	174.3	0	0	0	0	112	L390 R397 F399 P553 Q557 R558 L559	L390-V555 HydrophobicContact CD1-CB 4.31Å; L390-V555 HydrophobicContact CD1-CG1 3.63Å; L390-V555 HydrophobicContact CD1-CG2 3.65Å; L390-V555 HydrophobicContact CD2-CG1 4.06Å; R397-V555 HydrophobicContact CB-CB 4.31Å; R397-V555 HydrophobicContact CB-CG1 4.5Å; R397-V555 HydrophobicContact CB-CG2 3.85Å; F399-V555 HydrophobicContact CD2-CG2 4.12Å; F399-V555 HydrophobicContact CE2-CB 4.19Å; F399-V555 HydrophobicContact CE2-CG1 4.22Å; F399-V555 HydrophobicContact CE2-CG2 3.93Å; F399-V555 HydrophobicContact CZ-CG1 4.18Å; F399-V555 HydrophobicContact CZ-CG2 4.49Å; P553-V555 PolarHBondContact O-N 2.95Å; V555-Q557 PolarHBondContact O-N 2.81Å; V555-R558 PolarHBondContact O-N 3.07Å; V555-L559 HydrophobicContact CG1-CD1 3.82Å; V555-L559 HydrophobicContact CG1-CG 4.34Å; V555-L559 WeakPolarHBondContact O-CG 3.5Å; V555-L559 PolarHBondContact O-N 2.7Å
556	D	73.3	Confident	76.8	Confident	22 Å²	22	60.3 Å²	60.3	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-70.2	-38.9	-171	-61.4	-11.1	0	0	0	110.6	G156 R558 L559 F560	G156-D556 WeakPolarHBondContact CA-OD2 3.4Å; D556-R558 PolarHBondContact O-N 3.45Å; D556-L559 PolarHBondContact O-N 2.8Å; D556-L559 VanDerWaalsContact O-N 3.15Å; D556-F560 HydrophobicContact CB-CD2 4.43Å; D556-F560 HydrophobicContact CB-CE2 4.19Å; D556-F560 WeakPolarHBondContact O-CD2 3.23Å; D556-F560 PolarHBondContact O-N 3.44Å
557	Q	72.2	Confident	74.7	Confident	86 Å²	86	64.6 Å²	64.6	40%	0.402	33%	0.329	S	S	.	.	H	α-helix	trans	-58	-44.3	174.6	-64.6	-176.8	1.4	0	0	112.6	L554 V555 F560 A561	L554-Q557 HydrophobicContact CB-CB 4.5Å; V555-Q557 PolarHBondContact O-N 2.81Å; Q557-F560 PolarHBondContact O-N 3.49Å; Q557-A561 WeakPolarHBondContact O-CB 3.02Å; Q557-A561 PolarHBondContact O-N 2.98Å
558	R	72.9	Confident	72.4	Confident	88 Å²	88	71.3 Å²	71.3	33%	0.332	37%	0.365	S	S	.	.	H	α-helix	trans	-66.4	-38.7	175.3	-73	-165.5	-175.1	-167.8	5.6	112.5	E388 F399 D552 L554 V555 D556 A561 E562	E388-R558 IonicContact OE1-CZ 2.92Å; E388-R558 IonicContact OE1-NH1 2.63Å; E388-R558 PolarHBondContact OE1-NH1 2.88Å; E388-R558 IonicContact OE1-NH2 2.77Å; E388-R558 IonicContact OE2-NH1 2.7Å; F399-R558 HydrophobicContact CE2-CB 4Å; F399-R558 HydrophobicContact CE2-CG 4.3Å; D552-R558 IonicContact OD2-CZ 2.69Å; D552-R558 IonicContact OD2-NE 3.1Å; D552-R558 PolarHBondContact OD2-NE 3.31Å; D552-R558 IonicContact OD2-NH2 3.3Å; D552-R558 PolarHBondContact OD2-NH2 3.35Å; L554-R558 PolarHBondContact O-N 2.63Å; V555-R558 PolarHBondContact O-N 3.07Å; D556-R558 PolarHBondContact O-N 3.45Å; R558-A561 PolarHBondContact O-N 2.87Å; R558-E562 PolarHBondContact O-N 3.29Å
559	L	73.1	Confident	70.3	Confident	27 Å²	27	68.9 Å²	68.9	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-65.3	-41.8	177.1	-68.9	174.7	0	0	0	111.7	V24 L445 L448 V555 D556 E562 T563	V24-L559 HydrophobicContact CG2-CD1 3.99Å; L445-L559 HydrophobicContact CD2-CD2 4.27Å; L448-L559 HydrophobicContact CD1-CD1 4.38Å; L448-L559 HydrophobicContact CD1-CD2 4.27Å; L448-L559 HydrophobicContact CD2-CD1 4.47Å; L448-L559 HydrophobicContact CD2-CD2 3.97Å; L448-L559 HydrophobicContact CG-CD2 4.21Å; V555-L559 HydrophobicContact CG1-CD1 3.82Å; V555-L559 HydrophobicContact CG1-CG 4.34Å; V555-L559 WeakPolarHBondContact O-CG 3.5Å; V555-L559 PolarHBondContact O-N 2.7Å; D556-L559 PolarHBondContact O-N 2.8Å; D556-L559 VanDerWaalsContact O-N 3.15Å; L559-E562 PolarHBondContact O-N 3.15Å; L559-T563 PolarHBondContact O-N 2.97Å; L559-T563 PolarHBondContact O-OG1 3.33Å
560	F	68	Low	67.6	Low	109 Å²	109	71.6 Å²	71.6	48%	0.478	40%	0.4	S	S	.	.	H	α-helix	trans	-62.2	-44.4	173.6	-74.5	-60.8	0	0	0	112	D556 Q557 E562 T563 C564	D556-F560 HydrophobicContact CB-CD2 4.43Å; D556-F560 HydrophobicContact CB-CE2 4.19Å; D556-F560 WeakPolarHBondContact O-CD2 3.23Å; D556-F560 PolarHBondContact O-N 3.44Å; Q557-F560 PolarHBondContact O-N 3.49Å; F560-E562 PolarHBondContact O-N 3.24Å; F560-T563 WeakPolarHBondContact CA-OG1 3.39Å; F560-T563 PolarHBondContact O-N 2.88Å; F560-T563 VanDerWaalsContact O-N 3.11Å; F560-T563 PolarHBondContact O-OG1 3.37Å; F560-C564 PolarHBondContact O-N 2.71Å; F560-C564 PolarHBondContact O-SG 3.16Å
561	A	65.6	Low	66.3	Low	59 Å²	59	73.1 Å²	73.1	49%	0.488	41%	0.406	S	S	.	.	H	α-helix	trans	-60.3	-42.7	176.6	0	0	0	0	0	112.7	Q557 R558 T563 C564 S565	Q557-A561 WeakPolarHBondContact O-CB 3.02Å; Q557-A561 PolarHBondContact O-N 2.98Å; R558-A561 PolarHBondContact O-N 2.87Å; A561-T563 VanDerWaalsContact C-N 3.27Å; A561-T563 PolarHBondContact O-N 3.1Å; A561-C564 PolarHBondContact O-N 3.28Å; A561-S565 PolarHBondContact O-N 2.71Å; A561-S565 PolarHBondContact O-OG 3.05Å
562	E	61.5	Low	64.9	Low	55 Å²	55	73.9 Å²	73.9	26%	0.257	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-26.9	174.4	-82	-164.6	-171.7	0	0	113.6	L445 G446 R558 L559 F560 S565 K566	L445-E562 WeakPolarHBondContact CD2-OE1 3.17Å; G446-E562 WeakPolarHBondContact CA-OE2 3.32Å; G446-E562 PolarHBondContact N-OE2 3.19Å; G446-E562 VanDerWaalsContact N-OE2 3.1Å; R558-E562 PolarHBondContact O-N 3.29Å; L559-E562 PolarHBondContact O-N 3.15Å; F560-E562 PolarHBondContact O-N 3.24Å; E562-S565 PolarHBondContact O-OG 3.41Å; E562-K566 VanDerWaalsContact O-CD 3.29Å; E562-K566 WeakPolarHBondContact O-CD 3.49Å; E562-K566 WeakPolarHBondContact O-CG 3.43Å; E562-K566 IonicContact OE2-NZ 3.76Å
563	T	59.2	Low	63.4	Low	65 Å²	65	76.3 Å²	76.3	40%	0.399	43%	0.43	S	S	.	.	H	α-helix	trans	-77.1	-43	173.8	33.9	0	0	0	0	112.4	L559 F560 A561 K566 M567	L559-T563 PolarHBondContact O-N 2.97Å; L559-T563 PolarHBondContact O-OG1 3.33Å; F560-T563 WeakPolarHBondContact CA-OG1 3.39Å; F560-T563 PolarHBondContact O-N 2.88Å; F560-T563 VanDerWaalsContact O-N 3.11Å; F560-T563 PolarHBondContact O-OG1 3.37Å; A561-T563 VanDerWaalsContact C-N 3.27Å; A561-T563 PolarHBondContact O-N 3.1Å; T563-K566 PolarHBondContact O-N 3.15Å; T563-M567 PolarHBondContact O-N 3.33Å
564	C	50.1	Low	62.1	Low	71 Å²	71	78.5 Å²	78.5	48%	0.48	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-47.8	177.6	-61.4	0	0	0	0	111.3	F560 A561 K566 M567 D568	F560-C564 PolarHBondContact O-N 2.71Å; F560-C564 PolarHBondContact O-SG 3.16Å; A561-C564 PolarHBondContact O-N 3.28Å; C564-K566 PolarHBondContact O-N 3.36Å; C564-M567 WeakPolarHBondContact O-CB 3.46Å; C564-M567 PolarHBondContact O-N 3.2Å; C564-D568 PolarHBondContact O-N 3.14Å
565	S	57	Low	60.9	Low	72 Å²	72	79.3 Å²	79.3	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-62.3	-17.4	-179.2	77.1	0	0	0	0	114	A561 E562 S569	A561-S565 PolarHBondContact O-N 2.71Å; A561-S565 PolarHBondContact O-OG 3.05Å; E562-S565 PolarHBondContact O-OG 3.41Å; S565-S569 PolarHBondContact O-OG 3.28Å
566	K	53.9	Low	59.6	Low	94 Å²	94	84.6 Å²	84.6	41%	0.409	48%	0.476	S	S	.	.	H	α-helix	trans	-82.4	-38.1	172.8	-75.4	168.3	-172.4	148.1	0	111.5	G446 E562 T563 C564 S569 S570	G446-K566 PolarHBondContact O-NZ 2.81Å; G446-K566 VanDerWaalsContact O-NZ 3.07Å; E562-K566 VanDerWaalsContact O-CD 3.29Å; E562-K566 WeakPolarHBondContact O-CD 3.49Å; E562-K566 WeakPolarHBondContact O-CG 3.43Å; E562-K566 IonicContact OE2-NZ 3.76Å; T563-K566 PolarHBondContact O-N 3.15Å; C564-K566 PolarHBondContact O-N 3.36Å; K566-S569 WeakPolarHBondContact CA-OG 3.48Å; K566-S569 PolarHBondContact O-N 2.98Å; K566-S569 PolarHBondContact O-OG 3.18Å; K566-S570 PolarHBondContact O-N 3.19Å; K566-S570 PolarHBondContact O-OG 3.31Å
567	M	50.7	Low	58.6	Low	130 Å²	130	89.1 Å²	89.1	64%	0.64	50%	0.502	S	S	*	.	H	α-helix	trans	-67.1	-38.9	176	-62.2	-175.9	-166.4	0	0	111.5	T563 C564 S569 S570	T563-M567 PolarHBondContact O-N 3.33Å; C564-M567 WeakPolarHBondContact O-CB 3.46Å; C564-M567 PolarHBondContact O-N 3.2Å; M567-S569 PolarHBondContact O-N 3.35Å; M567-S569 VanDerWaalsContact O-N 3.14Å; M567-S570 PolarHBondContact O-N 3.35Å; M567-S570 PolarHBondContact O-OG 3.05Å; M567-S570 VanDerWaalsContact O-OG 3.11Å
568	D	49	Very low	57.6	Low	145 Å²	145	89.3 Å²	89.3	78%	0.775	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.9	175.6	-57.2	-34.4	0	0	0	113.2	C564	C564-D568 PolarHBondContact O-N 3.14Å
569	S	49.6	Very low	56.3	Low	96 Å²	96	89.4 Å²	89.4	67%	0.671	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	3.2	-178.2	74.4	0	0	0	0	114.3	S565 K566 M567	S565-S569 PolarHBondContact O-OG 3.28Å; K566-S569 WeakPolarHBondContact CA-OG 3.48Å; K566-S569 PolarHBondContact O-N 2.98Å; K566-S569 PolarHBondContact O-OG 3.18Å; M567-S569 PolarHBondContact O-N 3.35Å; M567-S569 VanDerWaalsContact O-N 3.14Å
570	S	37.8	Very low	54.8	Low	150 Å²	150	95.1 Å²	95.1	100%	1.049	56%	0.559	S	S	*	*			trans	-122.8	0	-175.6	62.9	0	0	0	0	112.3	K566 M567	K566-S570 PolarHBondContact O-N 3.19Å; K566-S570 PolarHBondContact O-OG 3.31Å; M567-S570 PolarHBondContact O-N 3.35Å; M567-S570 PolarHBondContact O-OG 3.05Å; M567-S570 VanDerWaalsContact O-OG 3.11Å

Retrieved 570 of 570 residues in 230.6 ms (Link to these results)

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