A0A077ZA81_TRITR Loading...

DUF229 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 312 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	70.5	Confident	87.4	Confident	222 Å²	222	97.5 Å²	97.5	100%	1.094	57%	0.572	S	S	*	*				0	141	0	-152.1	164.3	-170.6	0	0	107.7
2	A	84.2	Confident	88	Confident	65 Å²	65	91.3 Å²	91.3	54%	0.537	54%	0.537	S	S	.	.			trans	-67.9	136	178.1	0	0	0	0	0	110	I4 H5	A2-I4 VanDerWaalsContact C-N 3.27Å; A2-I4 WeakPolarHBondContact CB-O 3.45Å; A2-I4 PolarHBondContact O-N 2.97Å; A2-H5 PolarHBondContact O-ND1 3.03Å; A2-H5 VanDerWaalsContact O-ND1 3.09Å
3	L	84.9	Confident	88.3	Confident	136 Å²	136	88.5 Å²	88.5	71%	0.712	53%	0.525	S	S	*	.	S	Bend	trans	-57.8	-43.8	178.3	179.2	64.1	0	0	0	110.9	F290 N291	L3-F290 HydrophobicContact CD1-CE1 4.2Å; L3-F290 HydrophobicContact CD1-CZ 3.82Å; L3-F290 HydrophobicContact CG-CZ 3.96Å; L3-F290 WeakPolarHBondContact O-CZ 3.27Å; L3-N291 PolarHBondContact O-ND2 3.11Å
4	I	87.6	Confident	88.3	Confident	77 Å²	77	93.1 Å²	93.1	40%	0.395	55%	0.546	S	S	.	.	S	Bend	trans	-103.4	121.6	173.1	-60.4	174.3	0	0	0	108.1	A2 F290 N291	A2-I4 VanDerWaalsContact C-N 3.27Å; A2-I4 WeakPolarHBondContact CB-O 3.45Å; A2-I4 PolarHBondContact O-N 2.97Å; I4-F290 HydrophobicContact CG1-CE2 4.17Å; I4-N291 WeakPolarHBondContact CA-OD1 3.46Å
5	H	91.2	Very high	88.4	Confident	64 Å²	64	95.5 Å²	95.5	30%	0.296	55%	0.55	S	S	.	*			trans	-150.1	156.2	178.3	59	-85.4	0	0	0	110	A2 K130 N291	A2-H5 PolarHBondContact O-ND1 3.03Å; A2-H5 VanDerWaalsContact O-ND1 3.09Å; H5-K130 PolarHBondContact O-NZ 3.49Å; H5-N291 PolarHBondContact CE1-ND2 3.1Å; H5-N291 VanDerWaalsContact CE1-ND2 3.29Å; H5-N291 PolarHBondContact N-OD1 2.65Å; H5-N291 VanDerWaalsContact N-OD1 3.1Å; H5-N291 PolarHBondContact O-OD1 2.85Å; H5-N291 VanDerWaalsContact O-OD1 3.11Å
6	S	91.4	Very high	88.6	Confident	92 Å²	92	93.9 Å²	93.9	64%	0.643	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-75.9	148.1	174.7	-66.5	0	0	0	0	111.5	E294	S6-E294 WeakPolarHBondContact CA-OE2 3.06Å; S6-E294 VanDerWaalsContact CB-OE2 3.25Å; S6-E294 WeakPolarHBondContact CB-OE2 3.28Å; S6-E294 PolarHBondContact OG-OE1 2.94Å
7	V	91.1	Very high	89	Confident	31 Å²	31	88.9 Å²	88.9	19%	0.188	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-102.4	144.3	-179.2	-75.7	0	0	0	0	110.6	N291 E294 L295	V7-N291 HydrophobicContact CG1-CB 3.87Å; V7-N291 WeakPolarHBondContact CG2-O 3.25Å; V7-E294 HydrophobicContact CG2-CB 3.94Å; V7-E294 WeakPolarHBondContact CG2-OE2 3.32Å; V7-E294 PolarHBondContact N-OE2 3.23Å; V7-L295 HydrophobicContact CG2-CD1 4.47Å; V7-L295 HydrophobicContact CG2-CD2 3.83Å; V7-L295 HydrophobicContact CG2-CG 3.79Å
8	A	90.6	Very high	89.3	Confident	81 Å²	81	84.6 Å²	84.6	67%	0.669	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-65.4	148	174.9	0	0	0	0	0	110.5
9	P	89.4	Confident	89.7	Confident	113 Å²	113	80.3 Å²	80.3	73%	0.734	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-53.5	146.6	173.4	-25.4	34.4	0	0	0	112.1	N11	P9-N11 PolarHBondContact O-N 3.33Å
10	L	90.2	Very high	90	Very high	54 Å²	54	78.4 Å²	78.4	28%	0.283	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-67.9	131.1	177.9	-173.9	67.3	0	0	0	110.8	C12 L248 C249 Y285 L295	L10-C12 VanDerWaalsContact CD2-SG 3.56Å; L10-L248 HydrophobicContact CD1-CB 3.83Å; L10-L248 HydrophobicContact CD1-CD1 3.97Å; L10-L248 HydrophobicContact CD2-CB 4Å; L10-L248 VanDerWaalsContact CD2-O 3.25Å; L10-L248 WeakPolarHBondContact CD2-O 3.44Å; L10-C249 VanDerWaalsContact CD2-SG 3.6Å; L10-Y285 HydrophobicContact CD2-CE1 4.47Å; L10-Y285 VanDerWaalsContact CD2-OH 3.31Å; L10-Y285 WeakPolarHBondContact CD2-OH 3.11Å; L10-L295 HydrophobicContact CB-CD1 4.33Å
11	N	90.3	Very high	90.3	Very high	138 Å²	138	75.3 Å²	75.3	74%	0.738	44%	0.438	S	S	*	.			trans	-100.1	86.9	178.2	-168.3	26.3	0	0	0	110.5	P9	P9-N11 PolarHBondContact O-N 3.33Å
12	C	94	Very high	91.5	Very high	23 Å²	23	69.9 Å²	69.9	16%	0.155	41%	0.409	C	S	.	.			trans	-82.2	179.1	172	-61.8	0	0	0	0	111.5	L10 N14 C249 G251	L10-C12 VanDerWaalsContact CD2-SG 3.56Å; C12-N14 PolarHBondContact O-N 3.36Å; C12-C249 WeakPolarHBondContact CA-SG 3.3Å; C12-C249 HydrophobicContact CB-CB 3.73Å; C12-C249 WeakPolarHBondContact CB-SG 3.45Å; C12-C249 WeakPolarHBondContact SG-CB 3.29Å; C12-C249 CovalentContact SG-SG 2.05Å; C12-C249 PolarHBondContact SG-SG 3.4Å; C12-G251 WeakPolarHBondContact CB-O 3.36Å
13	S	92.3	Very high	92	Very high	55 Å²	55	70.1 Å²	70.1	39%	0.385	40%	0.401	S	S	.	.			trans	-57.5	133.8	179.4	-176.9	0	0	0	0	111.5	E15 G251 S252	S13-E15 PolarHBondContact O-N 3.01Å; S13-E15 PolarHBondContact OG-N 3.34Å; S13-E15 VanDerWaalsContact OG-N 3.11Å; S13-E15 PolarHBondContact OG-O 3.05Å; S13-G251 VanDerWaalsContact CB-O 3.31Å; S13-G251 WeakPolarHBondContact CB-O 3.19Å; S13-G251 PolarHBondContact N-O 3.31Å; S13-S252 VanDerWaalsContact O-CA 3.29Å; S13-S252 WeakPolarHBondContact O-CA 3.36Å; S13-S252 WeakPolarHBondContact O-CB 3.33Å
14	N	89.2	Confident	92.6	Very high	153 Å²	153	64 Å²	64	82%	0.818	37%	0.37	S	S	*	.	S	Bend	trans	-71	-21.2	170.1	-70.6	-26.2	0	0	0	112.1	C12	C12-N14 PolarHBondContact O-N 3.36Å
15	E	89.3	Confident	93.1	Very high	129 Å²	129	63.8 Å²	63.8	60%	0.603	37%	0.367	S	S	*	.	S	Bend	trans	-80.2	120	175.1	-61.4	-171.3	171.4	0	0	110	S13 S252	S13-E15 PolarHBondContact O-N 3.01Å; S13-E15 PolarHBondContact OG-N 3.34Å; S13-E15 VanDerWaalsContact OG-N 3.11Å; S13-E15 PolarHBondContact OG-O 3.05Å; E15-S252 WeakPolarHBondContact O-CB 3.29Å
16	S	92.3	Very high	93.4	Very high	69 Å²	69	60.7 Å²	60.7	48%	0.483	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-59.5	143	179	-58	0	0	0	0	112.3	W18	S16-W18 PolarHBondContact O-N 3.1Å
17	N	94.9	Very high	93.6	Very high	10 Å²	10	59 Å²	59	5%	0.053	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-56.7	126.3	168.4	-76.7	-28.4	0	0	0	110.7	F19 M29 Y85 N87 L250 S252 E253	N17-F19 PolarHBondContact O-N 3.04Å; N17-M29 WeakPolarHBondContact O-CG 3.47Å; N17-Y85 HydrophobicContact CB-CE2 4.46Å; N17-N87 PolarHBondContact ND2-ND2 2.73Å; N17-N87 PolarHBondContact OD1-ND2 3.26Å; N17-L250 PolarHBondContact ND2-O 3.22Å; N17-S252 PolarHBondContact N-OG 3.4Å; N17-E253 PolarHBondContact ND2-OE2 2.68Å
18	W	94.6	Very high	93.7	Very high	11 Å²	11	58.8 Å²	58.8	4%	0.042	33%	0.333	C	S	.	.	S	Bend	trans	-70	-23.5	-179.5	-65.9	7.5	0	0	0	112.9	S16 L28 M29 A32 P34 I39 C77 A79 K83 Y85	S16-W18 PolarHBondContact O-N 3.1Å; W18-L28 WeakPolarHBondContact O-CD1 3.28Å; W18-M29 PolarHBondContact O-N 3.18Å; W18-A32 PolarHBondContact NE1-O 3.25Å; W18-P34 HydrophobicContact CZ2-CG 4.16Å; W18-I39 HydrophobicContact CE3-CD1 4.38Å; W18-I39 HydrophobicContact CE3-CG2 4.41Å; W18-I39 HydrophobicContact CH2-CG2 4.45Å; W18-I39 HydrophobicContact CZ3-CB 4.42Å; W18-I39 HydrophobicContact CZ3-CG2 3.84Å; W18-C77 HydrophobicContact CE3-CB 3.76Å; W18-C77 HydrophobicContact CZ3-CB 3.59Å; W18-A79 HydrophobicContact CH2-CB 3.89Å; W18-A79 HydrophobicContact CZ3-CB 4.43Å; W18-K83 HydrophobicContact CH2-CB 4.34Å; W18-K83 HydrophobicContact CZ2-CB 4.32Å; W18-Y85 HydrophobicContact CB-CD1 3.98Å; W18-Y85 HydrophobicContact CB-CD2 4.18Å; W18-Y85 HydrophobicContact CB-CE1 4.07Å; W18-Y85 HydrophobicContact CB-CE2 4.29Å; W18-Y85 HydrophobicContact CB-CG 4.01Å; W18-Y85 VanDerWaalsContact CD2-CB 3.48Å; W18-Y85 HydrophobicContact CD2-CD1 4.36Å; W18-Y85 HydrophobicContact CD2-CD2 4.25Å; W18-Y85 AromaticContact CD2-CG 3.8Å; W18-Y85 HydrophobicContact CD2-CG 3.8Å; W18-Y85 VanDerWaalsContact CE3-CB 3.48Å; W18-Y85 HydrophobicContact CE3-CD1 4.36Å; W18-Y85 HydrophobicContact CE3-CG 4.05Å; W18-Y85 HydrophobicContact CG-CD1 4.24Å; W18-Y85 AromaticContact CG-CD2 3.89Å; W18-Y85 HydrophobicContact CG-CD2 3.89Å; W18-Y85 HydrophobicContact CG-CE2 4.4Å; W18-Y85 AromaticContact CG-CG 3.79Å; W18-Y85 HydrophobicContact CG-CG 3.79Å
19	F	95.7	Very high	93.8	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.4	176.6	-73	-91	0	0	0	110.3	N17 L26 I27 L28 C41 A62 I75 Y85 H89	N17-F19 PolarHBondContact O-N 3.04Å; F19-L26 HydrophobicContact CB-CD1 4.07Å; F19-L26 HydrophobicContact CD1-CD1 3.64Å; F19-L26 HydrophobicContact CD1-CD2 3.78Å; F19-L26 HydrophobicContact CD1-CG 3.6Å; F19-L26 HydrophobicContact CE1-CD1 4.44Å; F19-L26 HydrophobicContact CE1-CD2 3.73Å; F19-L26 HydrophobicContact CE1-CG 4Å; F19-L26 HydrophobicContact CG-CD1 4.16Å; F19-I27 CarbonylContact C-O 3.54Å; F19-I27 VanDerWaalsContact CA-O 3.3Å; F19-I27 WeakPolarHBondContact CA-O 3.39Å; F19-L28 HydrophobicContact CD1-CB 4.16Å; F19-L28 HydrophobicContact CD1-CD1 4.15Å; F19-L28 HydrophobicContact CD2-CD1 4.2Å; F19-L28 HydrophobicContact CE1-CB 3.8Å; F19-L28 HydrophobicContact CE1-CD1 3.63Å; F19-L28 HydrophobicContact CE1-CG 4.32Å; F19-L28 HydrophobicContact CE2-CD1 3.63Å; F19-L28 HydrophobicContact CG-CD1 4.45Å; F19-L28 HydrophobicContact CZ-CB 4.38Å; F19-L28 HydrophobicContact CZ-CD1 3.36Å; F19-L28 HydrophobicContact CZ-CG 4.43Å; F19-C41 HydrophobicContact CE2-CB 4.28Å; F19-C41 VanDerWaalsContact CE2-SG 3.56Å; F19-C41 HydrophobicContact CZ-CB 4.3Å; F19-A62 HydrophobicContact CZ-CB 4.36Å; F19-I75 HydrophobicContact CB-CD1 3.84Å; F19-I75 HydrophobicContact CD1-CD1 4.06Å; F19-I75 HydrophobicContact CD2-CD1 3.95Å; F19-I75 HydrophobicContact CD2-CG2 3.98Å; F19-I75 HydrophobicContact CE2-CG2 4.18Å; F19-I75 HydrophobicContact CG-CD1 3.67Å; F19-Y85 HydrophobicContact CD2-CE1 4.11Å; F19-H89 PolarHBondContact O-CE1 3.21Å
20	T	95.7	Very high	93.5	Very high	42 Å²	42	58.7 Å²	58.7	26%	0.258	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	174.2	161	-170.9	0	0	0	0	108.5	I27 M29	T20-I27 HydrophobicContact CG2-CB 3.77Å; T20-I27 HydrophobicContact CG2-CD1 4.33Å; T20-I27 HydrophobicContact CG2-CG2 4.15Å; T20-I27 PolarHBondContact N-O 3.35Å; T20-I27 PolarHBondContact O-N 3.14Å; T20-M29 HydrophobicContact CG2-CG 4.4Å; T20-M29 HydrophobicContact CG2-SD 3.63Å
21	A	97.2	Very high	93.2	Very high	13 Å²	13	63.3 Å²	63.3	11%	0.107	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.8	170.1	0	0	0	0	0	111.6	K25 L68 F73 T91	A21-K25 WeakPolarHBondContact CA-O 3.42Å; A21-K25 WeakPolarHBondContact CB-O 3.45Å; A21-L68 HydrophobicContact CB-CD1 3.83Å; A21-F73 HydrophobicContact CB-CE1 3.87Å; A21-F73 HydrophobicContact CB-CZ 3.62Å; A21-T91 HydrophobicContact CB-CG2 3.89Å
22	K	96.3	Very high	92.8	Very high	108 Å²	108	57.7 Å²	57.7	47%	0.47	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	141	179.3	-169.9	168	-175	171.8	0	109.5	G24 K25 I27 T91	K22-G24 PolarHBondContact O-N 3.04Å; K22-G24 VanDerWaalsContact O-N 3.16Å; K22-K25 PolarHBondContact N-O 2.75Å; K22-K25 VanDerWaalsContact N-O 3.1Å; K22-K25 WeakPolarHBondContact O-CB 3.5Å; K22-K25 PolarHBondContact O-N 3Å; K22-I27 HydrophobicContact CB-CD1 4.15Å; K22-T91 WeakPolarHBondContact CA-OG1 3.47Å; K22-T91 PolarHBondContact N-OG1 2.84Å
23	N	94.8	Very high	92	Very high	71 Å²	71	57.5 Å²	57.5	38%	0.38	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	39.4	-179.7	-60.6	9.2	0	0	0	113	K25 T91 I92 D265 T268 T269	N23-K25 PolarHBondContact O-N 3.19Å; N23-T91 PolarHBondContact N-OG1 2.94Å; N23-I92 CarbonylContact C-O 3.51Å; N23-D265 WeakPolarHBondContact CA-OD1 3.47Å; N23-D265 PolarHBondContact N-OD1 3.03Å; N23-D265 PolarHBondContact N-OD2 2.9Å; N23-D265 PolarHBondContact OD1-OD1 3.37Å; N23-T268 PolarHBondContact OD1-OG1 3.15Å; N23-T269 WeakPolarHBondContact CA-OG1 3.49Å
24	G	96.4	Very high	91.1	Very high	6 Å²	6	55.9 Å²	55.9	6%	0.062	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	16.9	179.6	0	0	0	0	0	114.4	K22 L68 T91 I92	K22-G24 PolarHBondContact O-N 3.04Å; K22-G24 VanDerWaalsContact O-N 3.16Å; G24-L68 WeakPolarHBondContact O-CB 3.46Å; G24-L68 PolarHBondContact O-N 3.35Å; G24-T91 PolarHBondContact N-OG1 2.66Å; G24-T91 VanDerWaalsContact N-OG1 3.16Å; G24-I92 WeakPolarHBondContact CA-O 3.4Å; G24-I92 PolarHBondContact N-O 2.84Å
25	K	97.5	Very high	90.1	Very high	73 Å²	73	57.4 Å²	57.4	32%	0.317	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.1	176.7	-64	-66.1	-174	171.9	0	111.2	A21 K22 N23 M66 S67	A21-K25 WeakPolarHBondContact CA-O 3.42Å; A21-K25 WeakPolarHBondContact CB-O 3.45Å; K22-K25 PolarHBondContact N-O 2.75Å; K22-K25 VanDerWaalsContact N-O 3.1Å; K22-K25 WeakPolarHBondContact O-CB 3.5Å; K22-K25 PolarHBondContact O-N 3Å; N23-K25 PolarHBondContact O-N 3.19Å; K25-M66 WeakPolarHBondContact CA-O 3.3Å; K25-S67 PolarHBondContact NZ-OG 2.64Å
26	L	97.6	Very high	88.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132	171.4	-174.9	65.3	0	0	0	110.5	F19 L43 A62 N65 M66 L68 F73 I75	F19-L26 HydrophobicContact CB-CD1 4.07Å; F19-L26 HydrophobicContact CD1-CD1 3.64Å; F19-L26 HydrophobicContact CD1-CD2 3.78Å; F19-L26 HydrophobicContact CD1-CG 3.6Å; F19-L26 HydrophobicContact CE1-CD1 4.44Å; F19-L26 HydrophobicContact CE1-CD2 3.73Å; F19-L26 HydrophobicContact CE1-CG 4Å; F19-L26 HydrophobicContact CG-CD1 4.16Å; L26-L43 HydrophobicContact CD1-CD1 4.44Å; L26-L43 HydrophobicContact CD2-CD1 3.92Å; L26-A62 HydrophobicContact CD2-CB 3.93Å; L26-N65 VanDerWaalsContact O-CA 3.27Å; L26-N65 WeakPolarHBondContact O-CA 3.34Å; L26-N65 PolarHBondContact O-N 2.94Å; L26-M66 HydrophobicContact CB-CG 3.82Å; L26-M66 HydrophobicContact CD2-CG 4.12Å; L26-M66 HydrophobicContact CD2-SD 3.99Å; L26-M66 PolarHBondContact N-O 3.01Å; L26-M66 VanDerWaalsContact N-O 3.08Å; L26-L68 HydrophobicContact CB-CD1 4.49Å; L26-L68 HydrophobicContact CB-CD2 4.3Å; L26-L68 HydrophobicContact CB-CG 4.45Å; L26-F73 HydrophobicContact CD1-CE2 3.66Å; L26-F73 HydrophobicContact CD1-CZ 3.79Å; L26-I75 HydrophobicContact CD1-CD1 3.53Å; L26-I75 HydrophobicContact CD2-CD1 4.01Å; L26-I75 HydrophobicContact CG-CD1 4.4Å
27	I	96.6	Very high	87.4	Confident	55 Å²	55	57.3 Å²	57.3	28%	0.282	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.6	-178.3	-56.2	173.1	0	0	0	108.4	F19 T20 K22 M29	F19-I27 CarbonylContact C-O 3.54Å; F19-I27 VanDerWaalsContact CA-O 3.3Å; F19-I27 WeakPolarHBondContact CA-O 3.39Å; T20-I27 HydrophobicContact CG2-CB 3.77Å; T20-I27 HydrophobicContact CG2-CD1 4.33Å; T20-I27 HydrophobicContact CG2-CG2 4.15Å; T20-I27 PolarHBondContact N-O 3.35Å; T20-I27 PolarHBondContact O-N 3.14Å; K22-I27 HydrophobicContact CB-CD1 4.15Å; I27-M29 HydrophobicContact CG2-SD 4.32Å
28	L	94.1	Very high	86.8	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.141	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.3	167.4	-178.9	71.6	0	0	0	110.1	W18 F19 Q30 V33 I39 H64	W18-L28 WeakPolarHBondContact O-CD1 3.28Å; F19-L28 HydrophobicContact CD1-CB 4.16Å; F19-L28 HydrophobicContact CD1-CD1 4.15Å; F19-L28 HydrophobicContact CD2-CD1 4.2Å; F19-L28 HydrophobicContact CE1-CB 3.8Å; F19-L28 HydrophobicContact CE1-CD1 3.63Å; F19-L28 HydrophobicContact CE1-CG 4.32Å; F19-L28 HydrophobicContact CE2-CD1 3.63Å; F19-L28 HydrophobicContact CG-CD1 4.45Å; F19-L28 HydrophobicContact CZ-CB 4.38Å; F19-L28 HydrophobicContact CZ-CD1 3.36Å; F19-L28 HydrophobicContact CZ-CG 4.43Å; L28-Q30 PolarHBondContact O-N 2.77Å; L28-V33 HydrophobicContact CD1-CG2 3.81Å; L28-V33 HydrophobicContact CG-CG2 4.3Å; L28-I39 HydrophobicContact CD1-CD1 3.8Å; L28-H64 HydrophobicContact CB-CB 3.81Å; L28-H64 PolarHBondContact N-ND1 2.58Å
29	M	92.4	Very high	86.6	Confident	56 Å²	56	62.6 Å²	62.6	28%	0.276	33%	0.328	S	S	.	.			trans	-86.8	89.2	174.9	-56.5	-60	-72	0	0	108.5	N17 W18 T20 I27 E31 A32	N17-M29 WeakPolarHBondContact O-CG 3.47Å; W18-M29 PolarHBondContact O-N 3.18Å; T20-M29 HydrophobicContact CG2-CG 4.4Å; T20-M29 HydrophobicContact CG2-SD 3.63Å; I27-M29 HydrophobicContact CG2-SD 4.32Å; M29-E31 WeakPolarHBondContact CE-OE1 3.46Å; M29-E31 PolarHBondContact O-N 3.17Å; M29-A32 HydrophobicContact CB-CB 3.92Å; M29-A32 WeakPolarHBondContact O-CB 3.2Å; M29-A32 PolarHBondContact O-N 2.91Å
30	Q	82.4	Confident	86.5	Confident	137 Å²	137	70.3 Å²	70.3	64%	0.64	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-54.2	-40.5	-172.2	-76.4	-88.1	-4.3	0	0	112.6	L28 A32 V33	L28-Q30 PolarHBondContact O-N 2.77Å; Q30-A32 PolarHBondContact O-N 2.91Å; Q30-V33 PolarHBondContact O-N 3.37Å
31	E	83.4	Confident	86.5	Confident	151 Å²	151	68.8 Å²	68.8	71%	0.706	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-65.8	-20	178.4	61.9	-84.6	-167.1	0	0	114.2	M29	M29-E31 WeakPolarHBondContact CE-OE1 3.46Å; M29-E31 PolarHBondContact O-N 3.17Å
32	A	81.6	Confident	86.5	Confident	19 Å²	19	72.8 Å²	72.8	16%	0.157	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-89.1	-16.4	178.3	0	0	0	0	0	112.8	W18 M29 Q30	W18-A32 PolarHBondContact NE1-O 3.25Å; M29-A32 HydrophobicContact CB-CB 3.92Å; M29-A32 WeakPolarHBondContact O-CB 3.2Å; M29-A32 PolarHBondContact O-N 2.91Å; Q30-A32 PolarHBondContact O-N 2.91Å
33	V	78.1	Confident	86.6	Confident	19 Å²	19	67.8 Å²	67.8	12%	0.115	35%	0.35	C	S	.	.	S	Bend	trans	-79.2	137.3	178.6	-176.5	0	0	0	0	109.4	L28 Q30 Q35 I39	L28-V33 HydrophobicContact CD1-CG2 3.81Å; L28-V33 HydrophobicContact CG-CG2 4.3Å; Q30-V33 PolarHBondContact O-N 3.37Å; V33-Q35 PolarHBondContact O-N 2.9Å; V33-I39 HydrophobicContact CG1-CD1 4.06Å; V33-I39 HydrophobicContact CG1-CG2 3.63Å; V33-I39 HydrophobicContact CG2-CD1 3.93Å
34	P	73.5	Confident	86.8	Confident	22 Å²	22	66.1 Å²	66.1	14%	0.143	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-53.6	126.4	174.2	-23.6	32.8	0	0	0	111.1	W18 N36 A37 A79 K83	W18-P34 HydrophobicContact CZ2-CG 4.16Å; P34-N36 PolarHBondContact O-N 3.11Å; P34-A37 HydrophobicContact CB-CB 3.95Å; P34-A37 WeakPolarHBondContact O-CB 3.46Å; P34-A37 PolarHBondContact O-N 3.27Å; P34-A79 HydrophobicContact CG-CB 4.49Å; P34-K83 HydrophobicContact CG-CD 3.86Å
35	Q	67.9	Low	86.9	Confident	184 Å²	184	65.9 Å²	65.9	86%	0.86	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	130.2	-176.7	-72	-175.8	-1.3	0	0	111.2	V33 A37	V33-Q35 PolarHBondContact O-N 2.9Å; Q35-A37 PolarHBondContact O-N 2.86Å
36	N	59	Low	86.9	Confident	174 Å²	174	62.5 Å²	62.5	93%	0.93	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	6.6	-179.4	-58.1	-25.6	0	0	0	116.6	P34	P34-N36 PolarHBondContact O-N 3.11Å
37	A	66	Low	87	Confident	23 Å²	23	64.6 Å²	64.6	19%	0.19	34%	0.336	C	S	.	.			trans	-81.7	125.1	174.7	0	0	0	0	0	110.8	P34 Q35 I39 A79	P34-A37 HydrophobicContact CB-CB 3.95Å; P34-A37 WeakPolarHBondContact O-CB 3.46Å; P34-A37 PolarHBondContact O-N 3.27Å; Q35-A37 PolarHBondContact O-N 2.86Å; A37-I39 PolarHBondContact O-N 2.8Å; A37-A79 HydrophobicContact CB-CB 4.29Å
38	S	81.5	Confident	87	Confident	91 Å²	91	63.5 Å²	63.5	64%	0.636	33%	0.329	S	S	*	.			trans	-65.8	125.7	159.2	50.2	0	0	0	0	108.3	A80	S38-A80 PolarHBondContact O-N 3.18Å
39	I	90.1	Very high	87.2	Confident	41 Å²	41	66.3 Å²	66.3	21%	0.21	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141	173.9	62.6	175.7	0	0	0	109.6	W18 L28 V33 A37 A78 A79	W18-I39 HydrophobicContact CE3-CD1 4.38Å; W18-I39 HydrophobicContact CE3-CG2 4.41Å; W18-I39 HydrophobicContact CH2-CG2 4.45Å; W18-I39 HydrophobicContact CZ3-CB 4.42Å; W18-I39 HydrophobicContact CZ3-CG2 3.84Å; L28-I39 HydrophobicContact CD1-CD1 3.8Å; V33-I39 HydrophobicContact CG1-CD1 4.06Å; V33-I39 HydrophobicContact CG1-CG2 3.63Å; V33-I39 HydrophobicContact CG2-CD1 3.93Å; A37-I39 PolarHBondContact O-N 2.8Å; I39-A78 WeakPolarHBondContact CA-O 3.17Å; I39-A79 HydrophobicContact CG2-CB 3.98Å
40	Q	93.5	Very high	87.4	Confident	164 Å²	164	66 Å²	66	77%	0.766	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.5	168.8	-68.8	-178.1	-8.7	0	0	107.9	C77 A78	Q40-C77 CarbonylContact O-C 3.57Å; Q40-C77 WeakPolarHBondContact O-CA 3.49Å; Q40-A78 PolarHBondContact N-O 2.77Å; Q40-A78 PolarHBondContact O-N 3.2Å
41	C	96.3	Very high	88	Confident	10 Å²	10	59.5 Å²	59.5	7%	0.068	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.7	-172.8	-66.4	0	0	0	0	111.2	F19 A62 Q76 C77	F19-C41 HydrophobicContact CE2-CB 4.28Å; F19-C41 VanDerWaalsContact CE2-SG 3.56Å; F19-C41 HydrophobicContact CZ-CB 4.3Å; C41-A62 HydrophobicContact CB-CB 3.69Å; C41-A62 PolarHBondContact O-N 3.22Å; C41-Q76 CarbonylContact C-O 3.5Å; C41-Q76 WeakPolarHBondContact CA-O 3.34Å; C41-C77 HydrophobicContact CB-CB 4.07Å; C41-C77 WeakPolarHBondContact CB-SG 3.08Å; C41-C77 WeakPolarHBondContact SG-CB 3.41Å; C41-C77 CovalentContact SG-SG 2.04Å; C41-C77 PolarHBondContact SG-SG 2.8Å
42	E	97.8	Very high	88.6	Confident	97 Å²	97	56.6 Å²	56.6	45%	0.453	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.5	170.8	-65.6	-170.9	155.4	0	0	110.1	R59 I75 Q76	E42-R59 WeakPolarHBondContact OE2-CD 3.49Å; E42-R59 IonicContact OE2-CZ 3.8Å; E42-R59 IonicContact OE2-NH1 3.68Å; E42-R59 PolarHBondContact OE2-NH1 3.46Å; E42-I75 WeakPolarHBondContact O-CA 3.41Å; E42-Q76 PolarHBondContact N-O 2.78Å; E42-Q76 PolarHBondContact O-N 2.89Å
43	L	98.3	Very high	89.4	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.5	172.1	-174.5	150.5	0	0	0	109	L26 P45 R59 S60 A62 L68 F73 K74 I75	L26-L43 HydrophobicContact CD1-CD1 4.44Å; L26-L43 HydrophobicContact CD2-CD1 3.92Å; L43-P45 HydrophobicContact CD2-CB 4.4Å; L43-P45 HydrophobicContact CD2-CG 3.62Å; L43-R59 WeakPolarHBondContact O-CA 3.45Å; L43-S60 PolarHBondContact N-O 2.95Å; L43-S60 PolarHBondContact O-N 3.11Å; L43-A62 HydrophobicContact CB-CB 3.93Å; L43-L68 HydrophobicContact CD1-CD2 3.5Å; L43-L68 VanDerWaalsContact CD1-CD2 3.5Å; L43-L68 HydrophobicContact CD2-CD2 4.43Å; L43-F73 HydrophobicContact CD1-CB 4.32Å; L43-F73 HydrophobicContact CD1-CD2 3.46Å; L43-F73 VanDerWaalsContact CD1-CD2 3.46Å; L43-F73 HydrophobicContact CD1-CE2 3.89Å; L43-F73 HydrophobicContact CD1-CG 3.91Å; L43-F73 HydrophobicContact CD2-CB 3.81Å; L43-F73 HydrophobicContact CD2-CD2 4.44Å; L43-F73 HydrophobicContact CD2-CG 4.26Å; L43-F73 HydrophobicContact CG-CB 3.95Å; L43-F73 HydrophobicContact CG-CD2 3.74Å; L43-F73 HydrophobicContact CG-CG 4.06Å; L43-K74 CarbonylContact C-O 3.52Å; L43-K74 WeakPolarHBondContact CA-O 3.32Å; L43-I75 HydrophobicContact CB-CG1 4.31Å; L43-I75 HydrophobicContact CD1-CD1 4.16Å; L43-I75 HydrophobicContact CD1-CG1 4.21Å; L43-I75 HydrophobicContact CG-CG1 4.22Å
44	Q	98.4	Very high	90.3	Very high	35 Å²	35	58.3 Å²	58.3	16%	0.164	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	100.6	176.9	-170.4	169.6	43	0	0	109.8	T56 R59 F73 K74	Q44-T56 HydrophobicContact CG-CG2 3.33Å; Q44-R59 HydrophobicContact CB-CG 4.08Å; Q44-R59 HydrophobicContact CG-CG 4.01Å; Q44-F73 WeakPolarHBondContact O-CA 3.17Å; Q44-K74 HydrophobicContact CB-CB 4.5Å; Q44-K74 PolarHBondContact N-O 2.92Å; Q44-K74 PolarHBondContact O-N 3.39Å
45	P	98.6	Very high	91.5	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.013	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	156.5	177.9	-5.8	21.2	0	0	0	111.3	L43 L57 D58 T70	L43-P45 HydrophobicContact CD2-CB 4.4Å; L43-P45 HydrophobicContact CD2-CG 3.62Å; P45-L57 HydrophobicContact CB-CB 4.24Å; P45-L57 HydrophobicContact CB-CD1 4.2Å; P45-L57 HydrophobicContact CB-CG 4.46Å; P45-L57 HydrophobicContact CG-CB 4.33Å; P45-L57 PolarHBondContact O-N 3.48Å; P45-D58 VanDerWaalsContact CD-O 3.31Å; P45-D58 WeakPolarHBondContact CD-O 3.33Å; P45-T70 HydrophobicContact CB-CG2 4.13Å; P45-T70 WeakPolarHBondContact CB-OG1 3.43Å
46	F	98.6	Very high	93	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	155.8	171.9	58.8	-89.8	0	0	0	111.9	V54 K55 F72 F234 K237	F46-V54 HydrophobicContact CD2-CB 4.19Å; F46-V54 HydrophobicContact CD2-CG1 4.27Å; F46-V54 HydrophobicContact CD2-CG2 4.21Å; F46-K55 CarbonylContact C-O 3.58Å; F46-K55 VanDerWaalsContact CA-O 3.27Å; F46-K55 WeakPolarHBondContact CA-O 3.37Å; F46-K55 WeakPolarHBondContact CB-O 3.44Å; F46-F72 HydrophobicContact CD1-CB 4.37Å; F46-F72 HydrophobicContact CD2-CB 3.85Å; F46-F72 HydrophobicContact CE1-CB 3.9Å; F46-F72 HydrophobicContact CE2-CB 3.31Å; F46-F72 HydrophobicContact CE2-CD2 4.22Å; F46-F72 HydrophobicContact CE2-CG 4.02Å; F46-F72 HydrophobicContact CG-CB 4.36Å; F46-F72 HydrophobicContact CZ-CB 3.34Å; F46-F72 HydrophobicContact CZ-CG 4.37Å; F46-F72 PolarHBondContact N-O 3.2Å; F46-F234 HydrophobicContact CZ-CD2 4.26Å; F46-K237 HydrophobicContact CD1-CG 4.1Å; F46-K237 HydrophobicContact CD2-CB 4.14Å; F46-K237 HydrophobicContact CD2-CG 4.31Å; F46-K237 HydrophobicContact CE1-CB 4.18Å; F46-K237 HydrophobicContact CE1-CG 3.72Å; F46-K237 HydrophobicContact CE2-CB 3.52Å; F46-K237 HydrophobicContact CE2-CG 3.95Å; F46-K237 HydrophobicContact CG-CG 4.37Å; F46-K237 HydrophobicContact CZ-CB 3.54Å; F46-K237 HydrophobicContact CZ-CG 3.63Å
47	V	98	Very high	94.8	Very high	45 Å²	45	50.6 Å²	50.6	27%	0.273	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	167.6	-174.7	-62.2	0	0	0	0	111.7	N49 V54 K55 L57 T70	V47-N49 PolarHBondContact O-N 2.92Å; V47-V54 CarbonylContact O-C 3.54Å; V47-V54 WeakPolarHBondContact O-CA 3.4Å; V47-V54 WeakPolarHBondContact O-CB 3.33Å; V47-K55 HydrophobicContact CG2-CB 4.02Å; V47-K55 PolarHBondContact N-O 3.35Å; V47-K55 PolarHBondContact O-N 2.93Å; V47-L57 HydrophobicContact CG1-CD1 4.41Å; V47-L57 HydrophobicContact CG2-CD2 4.47Å; V47-T70 HydrophobicContact CG1-CG2 3.27Å
48	F	98	Very high	96.3	Very high	31 Å²	31	56.4 Å²	56.4	14%	0.136	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	133.4	168.4	-178.1	-91.4	0	0	0	111	D50 K223 Q225 Y230 N233	F48-D50 VanDerWaalsContact CE2-C 3.4Å; F48-D50 VanDerWaalsContact CZ-C 3.5Å; F48-D50 VanDerWaalsContact CZ-CA 3.48Å; F48-K223 WeakPolarHBondContact CE1-O 3.27Å; F48-Q225 HydrophobicContact CD1-CB 4.11Å; F48-Q225 HydrophobicContact CD2-CB 4.38Å; F48-Q225 HydrophobicContact CD2-CG 4.44Å; F48-Q225 HydrophobicContact CE1-CB 4.41Å; F48-Q225 HydrophobicContact CG-CB 4.09Å; F48-Q225 HydrophobicContact CG-CG 4.38Å; F48-Y230 HydrophobicContact CD2-CD1 4.1Å; F48-Y230 HydrophobicContact CD2-CE1 4.42Å; F48-Y230 HydrophobicContact CE2-CD1 4.34Å; F48-Y230 HydrophobicContact CE2-CE1 4.27Å; F48-N233 WeakPolarHBondContact CD2-OD1 3.25Å
49	N	97.6	Very high	97.1	Very high	87 Å²	87	57.1 Å²	57.1	47%	0.465	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-50.4	166.8	-175.2	69.5	0	0	0	109.9	V47 T53 K55	V47-N49 PolarHBondContact O-N 2.92Å; N49-T53 PolarHBondContact N-O 2.86Å; N49-T53 PolarHBondContact ND2-OG1 3.33Å; N49-T53 VanDerWaalsContact ND2-OG1 3.08Å; N49-K55 HydrophobicContact CB-CB 4Å
50	D	96.4	Very high	97.5	Very high	49 Å²	49	57 Å²	57	26%	0.262	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	179	169.8	56.4	64.8	0	0	0	107.8	F48 F52 T53	F48-D50 VanDerWaalsContact CE2-C 3.4Å; F48-D50 VanDerWaalsContact CZ-C 3.5Å; F48-D50 VanDerWaalsContact CZ-CA 3.48Å; D50-F52 PolarHBondContact O-N 2.95Å; D50-F52 WeakPolarHBondContact OD1-CA 3.29Å; D50-F52 PolarHBondContact OD1-N 3.15Å; D50-T53 PolarHBondContact N-O 2.69Å; D50-T53 PolarHBondContact O-N 2.78Å; D50-T53 PolarHBondContact OD1-N 3.49Å; D50-T53 PolarHBondContact OD1-OG1 2.82Å; D50-T53 PolarHBondContact OD2-OG1 3.33Å
51	D	95.9	Very high	97.6	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-0.4	-177.6	-136	0.7	0	0	0	115.3	T216 G221 F222 Y230 R232	D51-T216 HydrophobicContact CB-CG2 4.04Å; D51-T216 WeakPolarHBondContact OD2-CG2 3.48Å; D51-G221 WeakPolarHBondContact OD2-CA 3.34Å; D51-F222 WeakPolarHBondContact CB-O 3.27Å; D51-F222 WeakPolarHBondContact OD2-CD2 3.4Å; D51-F222 PolarHBondContact OD2-N 3.13Å; D51-Y230 WeakPolarHBondContact OD1-CE1 3.2Å; D51-Y230 PolarHBondContact OD1-OH 3.29Å; D51-Y230 VanDerWaalsContact OD1-OH 3.07Å; D51-R232 PolarHBondContact O-NH1 3.08Å; D51-R232 PolarHBondContact O-NH2 3.45Å; D51-R232 IonicContact OD1-NE 3.88Å; D51-R232 IonicContact OD1-NH1 3.74Å
52	F	96.6	Very high	97.6	Very high	89 Å²	89	55.1 Å²	55.1	39%	0.39	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-12.2	-177.9	-56.4	-76.4	0	0	0	112.5	D50 T216 K220	D50-F52 PolarHBondContact O-N 2.95Å; D50-F52 WeakPolarHBondContact OD1-CA 3.29Å; D50-F52 PolarHBondContact OD1-N 3.15Å; F52-T216 HydrophobicContact CE1-CG2 4.29Å; F52-T216 HydrophobicContact CZ-CG2 4.43Å; F52-K220 VanDerWaalsContact CE2-O 3.32Å; F52-K220 WeakPolarHBondContact CE2-O 3.23Å
53	T	97.1	Very high	97.5	Very high	59 Å²	59	55.7 Å²	55.7	36%	0.362	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.1	-178.1	75.1	0	0	0	0	112.4	N49 D50	N49-T53 PolarHBondContact N-O 2.86Å; N49-T53 PolarHBondContact ND2-OG1 3.33Å; N49-T53 VanDerWaalsContact ND2-OG1 3.08Å; D50-T53 PolarHBondContact N-O 2.69Å; D50-T53 PolarHBondContact O-N 2.78Å; D50-T53 PolarHBondContact OD1-N 3.49Å; D50-T53 PolarHBondContact OD1-OG1 2.82Å; D50-T53 PolarHBondContact OD2-OG1 3.33Å
54	V	98.2	Very high	97.3	Very high	16 Å²	16	60.5 Å²	60.5	10%	0.097	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.4	172.8	-60.1	0	0	0	0	110.3	F46 V47 N233 L236 K237	F46-V54 HydrophobicContact CD2-CB 4.19Å; F46-V54 HydrophobicContact CD2-CG1 4.27Å; F46-V54 HydrophobicContact CD2-CG2 4.21Å; V47-V54 CarbonylContact O-C 3.54Å; V47-V54 WeakPolarHBondContact O-CA 3.4Å; V47-V54 WeakPolarHBondContact O-CB 3.33Å; V54-N233 HydrophobicContact CG1-CB 3.99Å; V54-N233 WeakPolarHBondContact CG1-O 3.35Å; V54-L236 HydrophobicContact CG1-CB 4.28Å; V54-L236 HydrophobicContact CG1-CD1 4.32Å; V54-K237 HydrophobicContact CG2-CB 4.32Å; V54-K237 HydrophobicContact CG2-CD 3.93Å
55	K	98.3	Very high	97.1	Very high	118 Å²	118	63.6 Å²	63.6	51%	0.513	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.9	171.3	179.4	179.4	178.5	-177.4	0	108.9	F46 V47 N49 L57	F46-K55 CarbonylContact C-O 3.58Å; F46-K55 VanDerWaalsContact CA-O 3.27Å; F46-K55 WeakPolarHBondContact CA-O 3.37Å; F46-K55 WeakPolarHBondContact CB-O 3.44Å; V47-K55 HydrophobicContact CG2-CB 4.02Å; V47-K55 PolarHBondContact N-O 3.35Å; V47-K55 PolarHBondContact O-N 2.93Å; N49-K55 HydrophobicContact CB-CB 4Å; K55-L57 HydrophobicContact CG-CD2 4.48Å
56	T	98.1	Very high	97	Very high	53 Å²	53	65.8 Å²	65.8	33%	0.325	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	139	175.6	-50.4	0	0	0	0	110.5	Q44	Q44-T56 HydrophobicContact CG-CG2 3.33Å
57	L	98.2	Very high	96.9	Very high	46 Å²	46	69.4 Å²	69.4	24%	0.241	36%	0.355	C	S	.	.			trans	-99.9	176.1	177.5	-53.6	-172	0	0	0	111.6	P45 V47 K55 T70	P45-L57 HydrophobicContact CB-CB 4.24Å; P45-L57 HydrophobicContact CB-CD1 4.2Å; P45-L57 HydrophobicContact CB-CG 4.46Å; P45-L57 HydrophobicContact CG-CB 4.33Å; P45-L57 PolarHBondContact O-N 3.48Å; V47-L57 HydrophobicContact CG1-CD1 4.41Å; V47-L57 HydrophobicContact CG2-CD2 4.47Å; K55-L57 HydrophobicContact CG-CD2 4.48Å; L57-T70 HydrophobicContact CD1-CG2 3.84Å
58	D	97.9	Very high	96.9	Very high	146 Å²	146	67.8 Å²	67.8	78%	0.781	35%	0.345	S	S	*	.			trans	-63.6	146	179.8	-66.8	-31.1	0	0	0	111.9	P45	P45-D58 VanDerWaalsContact CD-O 3.31Å; P45-D58 WeakPolarHBondContact CD-O 3.33Å
59	R	98	Very high	96.8	Very high	106 Å²	106	72.5 Å²	72.5	40%	0.4	37%	0.367	S	S	.	.			trans	-76.4	146.4	178.7	-64.5	178.7	172.2	-114.6	-9.8	110.5	E42 L43 Q44 Q76	E42-R59 WeakPolarHBondContact OE2-CD 3.49Å; E42-R59 IonicContact OE2-CZ 3.8Å; E42-R59 IonicContact OE2-NH1 3.68Å; E42-R59 PolarHBondContact OE2-NH1 3.46Å; L43-R59 WeakPolarHBondContact O-CA 3.45Å; Q44-R59 HydrophobicContact CB-CG 4.08Å; Q44-R59 HydrophobicContact CG-CG 4.01Å; R59-Q76 VanDerWaalsContact NH2-OE1 3.12Å
60	S	97.2	Very high	96.8	Very high	38 Å²	38	68.9 Å²	68.9	27%	0.266	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.8	172.5	61.6	0	0	0	0	110.9	L43 A62	L43-S60 PolarHBondContact N-O 2.95Å; L43-S60 PolarHBondContact O-N 3.11Å; S60-A62 PolarHBondContact O-N 2.69Å
61	E	97.1	Very high	96.9	Very high	123 Å²	123	66.9 Å²	66.9	58%	0.575	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	129	170.9	-169.6	-173.2	170.6	0	0	110.6	K63	E61-K63 HydrophobicContact CG-CG 4.42Å; E61-K63 WeakPolarHBondContact OE1-CE 3.3Å; E61-K63 IonicContact OE1-NZ 2.78Å; E61-K63 WeakPolarHBondContact OE2-CE 3.37Å; E61-K63 IonicContact OE2-NZ 3.79Å; E61-K63 PolarHBondContact OE2-NZ 3.38Å
62	A	96.3	Very high	97	Very high	12 Å²	12	67.1 Å²	67.1	10%	0.099	34%	0.339	C	S	.	.			trans	-84.6	118.7	179.3	0	0	0	0	0	110.4	F19 L26 C41 L43 S60 I75	F19-A62 HydrophobicContact CZ-CB 4.36Å; L26-A62 HydrophobicContact CD2-CB 3.93Å; C41-A62 HydrophobicContact CB-CB 3.69Å; C41-A62 PolarHBondContact O-N 3.22Å; L43-A62 HydrophobicContact CB-CB 3.93Å; S60-A62 PolarHBondContact O-N 2.69Å; A62-I75 HydrophobicContact CB-CD1 4.45Å
63	K	93.8	Very high	97.1	Very high	109 Å²	109	62.9 Å²	62.9	47%	0.474	32%	0.32	S	S	.	.			trans	-122.8	140.2	-178.4	-64.9	-178.6	-177.4	174.4	0	111.4	E61 N65 M66	E61-K63 HydrophobicContact CG-CG 4.42Å; E61-K63 WeakPolarHBondContact OE1-CE 3.3Å; E61-K63 IonicContact OE1-NZ 2.78Å; E61-K63 WeakPolarHBondContact OE2-CE 3.37Å; E61-K63 IonicContact OE2-NZ 3.79Å; E61-K63 PolarHBondContact OE2-NZ 3.38Å; K63-N65 PolarHBondContact O-N 2.94Å; K63-M66 HydrophobicContact CB-CB 4.44Å; K63-M66 HydrophobicContact CB-SD 4.49Å; K63-M66 PolarHBondContact N-SD 3.25Å; K63-M66 VanDerWaalsContact N-SD 3.4Å; K63-M66 WeakPolarHBondContact O-CB 3.39Å; K63-M66 VanDerWaalsContact O-CG 3.23Å; K63-M66 WeakPolarHBondContact O-CG 3.31Å; K63-M66 PolarHBondContact O-N 3.49Å
64	H	94.3	Very high	97.1	Very high	105 Å²	105	61.4 Å²	61.4	49%	0.486	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	136.7	172.1	-179.4	87.1	0	0	0	110.6	L28 M66	L28-H64 HydrophobicContact CB-CB 3.81Å; L28-H64 PolarHBondContact N-ND1 2.58Å; H64-M66 PolarHBondContact O-N 3Å
65	N	95.3	Very high	97.1	Very high	100 Å²	100	60.6 Å²	60.6	54%	0.535	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	14.7	179.7	-158.5	27.7	0	0	0	116	L26 K63	L26-N65 VanDerWaalsContact O-CA 3.27Å; L26-N65 WeakPolarHBondContact O-CA 3.34Å; L26-N65 PolarHBondContact O-N 2.94Å; K63-N65 PolarHBondContact O-N 2.94Å
66	M	96.5	Very high	97.1	Very high	47 Å²	47	58 Å²	58	23%	0.232	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-68.1	146.7	172.1	75.2	-177.3	-73.2	0	0	111.3	K25 L26 K63 H64	K25-M66 WeakPolarHBondContact CA-O 3.3Å; L26-M66 HydrophobicContact CB-CG 3.82Å; L26-M66 HydrophobicContact CD2-CG 4.12Å; L26-M66 HydrophobicContact CD2-SD 3.99Å; L26-M66 PolarHBondContact N-O 3.01Å; L26-M66 VanDerWaalsContact N-O 3.08Å; K63-M66 HydrophobicContact CB-CB 4.44Å; K63-M66 HydrophobicContact CB-SD 4.49Å; K63-M66 PolarHBondContact N-SD 3.25Å; K63-M66 VanDerWaalsContact N-SD 3.4Å; K63-M66 WeakPolarHBondContact O-CB 3.39Å; K63-M66 VanDerWaalsContact O-CG 3.23Å; K63-M66 WeakPolarHBondContact O-CG 3.31Å; K63-M66 PolarHBondContact O-N 3.49Å; H64-M66 PolarHBondContact O-N 3Å
67	S	97.1	Very high	96.9	Very high	77 Å²	77	55.9 Å²	55.9	54%	0.538	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-73.1	136.1	168.7	-61	0	0	0	0	110.4	K25	K25-S67 PolarHBondContact NZ-OG 2.64Å
68	L	97.7	Very high	96.7	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.063	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-90.3	144.9	177	-66.2	162.6	0	0	0	110.5	A21 G24 L26 L43 F73 T91 V93	A21-L68 HydrophobicContact CB-CD1 3.83Å; G24-L68 WeakPolarHBondContact O-CB 3.46Å; G24-L68 PolarHBondContact O-N 3.35Å; L26-L68 HydrophobicContact CB-CD1 4.49Å; L26-L68 HydrophobicContact CB-CD2 4.3Å; L26-L68 HydrophobicContact CB-CG 4.45Å; L43-L68 HydrophobicContact CD1-CD2 3.5Å; L43-L68 VanDerWaalsContact CD1-CD2 3.5Å; L43-L68 HydrophobicContact CD2-CD2 4.43Å; L68-F73 HydrophobicContact CD1-CD1 4.02Å; L68-F73 HydrophobicContact CD1-CE1 3.37Å; L68-F73 HydrophobicContact CD1-CZ 3.89Å; L68-F73 HydrophobicContact CD2-CD1 3.84Å; L68-F73 HydrophobicContact CD2-CE1 3.87Å; L68-F73 HydrophobicContact CD2-CG 4.22Å; L68-F73 HydrophobicContact CD2-CZ 4.23Å; L68-F73 HydrophobicContact CG-CD1 4.49Å; L68-F73 HydrophobicContact CG-CE1 4.24Å; L68-T91 HydrophobicContact CD1-CG2 3.55Å; L68-V93 HydrophobicContact CB-CG2 3.95Å
69	Q	95	Very high	96.4	Very high	130 Å²	130	49.4 Å²	49.4	61%	0.607	25%	0.254	S	S	*	.	S	Bend	trans	-81.6	-28.2	179.9	-62.3	178.5	45.1	0	0	112.1
70	T	97.2	Very high	95.9	Very high	11 Å²	11	48.2 Å²	48.2	7%	0.067	27%	0.267	C	S	.	.	S	Bend	trans	-141.3	160	-170.2	63.7	0	0	0	0	109.3	P45 V47 L57 F72 V93	P45-T70 HydrophobicContact CB-CG2 4.13Å; P45-T70 WeakPolarHBondContact CB-OG1 3.43Å; V47-T70 HydrophobicContact CG1-CG2 3.27Å; L57-T70 HydrophobicContact CD1-CG2 3.84Å; T70-F72 PolarHBondContact O-N 3.15Å; T70-F72 PolarHBondContact OG1-O 2.93Å; T70-V93 VanDerWaalsContact C-CG2 3.46Å; T70-V93 VanDerWaalsContact O-CG2 3.25Å; T70-V93 WeakPolarHBondContact O-CG2 3.15Å
71	D	98.3	Very high	95.3	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.037	28%	0.276	C	S	.	.	S	Bend	trans	-63.5	-24.9	177.7	-69	29.2	0	0	0	112.5	A90 T91 V93 K95 H229 Y262	D71-A90 CarbonylContact O-C 3.58Å; D71-A90 VanDerWaalsContact O-CA 3.32Å; D71-A90 WeakPolarHBondContact O-CA 3.29Å; D71-T91 CarbonylContact C-O 3.57Å; D71-T91 WeakPolarHBondContact CA-O 3.38Å; D71-T91 WeakPolarHBondContact CB-O 3.46Å; D71-T91 PolarHBondContact O-N 2.75Å; D71-T91 VanDerWaalsContact O-O 3.11Å; D71-V93 PolarHBondContact OD1-N 2.78Å; D71-K95 IonicContact OD1-NZ 3.06Å; D71-K95 PolarHBondContact OD1-NZ 2.75Å; D71-H229 IonicContact OD1-ND1 2.76Å; D71-H229 IonicContact OD2-CE1 2.66Å; D71-H229 IonicContact OD2-CG 2.72Å; D71-H229 IonicContact OD2-ND1 3.7Å; D71-H229 PolarHBondContact OD2-ND1 3.4Å; D71-Y262 HydrophobicContact CB-CE2 4.44Å; D71-Y262 PolarHBondContact OD2-OH 3.25Å
72	F	98.6	Very high	94.9	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.5	-169.9	-40.3	-57.2	0	0	0	112.3	F46 T70 H89 A90 Y230 L231 N233 F234 Y262	F46-F72 HydrophobicContact CD1-CB 4.37Å; F46-F72 HydrophobicContact CD2-CB 3.85Å; F46-F72 HydrophobicContact CE1-CB 3.9Å; F46-F72 HydrophobicContact CE2-CB 3.31Å; F46-F72 HydrophobicContact CE2-CD2 4.22Å; F46-F72 HydrophobicContact CE2-CG 4.02Å; F46-F72 HydrophobicContact CG-CB 4.36Å; F46-F72 HydrophobicContact CZ-CB 3.34Å; F46-F72 HydrophobicContact CZ-CG 4.37Å; F46-F72 PolarHBondContact N-O 3.2Å; T70-F72 PolarHBondContact O-N 3.15Å; T70-F72 PolarHBondContact OG1-O 2.93Å; F72-H89 WeakPolarHBondContact CA-O 3.29Å; F72-A90 HydrophobicContact CD1-CB 3.83Å; F72-A90 HydrophobicContact CE1-CB 4.11Å; F72-Y230 WeakPolarHBondContact CE2-O 3.28Å; F72-Y230 VanDerWaalsContact CZ-O 3.28Å; F72-Y230 WeakPolarHBondContact CZ-O 3.48Å; F72-L231 HydrophobicContact CE1-CD1 3.69Å; F72-L231 HydrophobicContact CZ-CD1 4.32Å; F72-N233 HydrophobicContact CD2-CB 3.99Å; F72-N233 HydrophobicContact CE2-CB 3.79Å; F72-F234 HydrophobicContact CB-CD2 4.47Å; F72-F234 HydrophobicContact CD1-CB 3.69Å; F72-F234 HydrophobicContact CD1-CD2 4.15Å; F72-F234 HydrophobicContact CD1-CG 4.26Å; F72-F234 HydrophobicContact CE1-CB 3.89Å; F72-F234 HydrophobicContact CG-CB 4.09Å; F72-F234 HydrophobicContact CZ-CB 4.45Å; F72-Y262 AromaticContact CE1-CE2 3.67Å; F72-Y262 HydrophobicContact CE1-CE2 3.67Å; F72-Y262 AromaticContact CE1-CZ 3.76Å; F72-Y262 HydrophobicContact CZ-CE2 4.31Å; F72-Y262 AromaticContact CZ-CZ 3.95Å; F72-Y262 WeakPolarHBondContact CZ-OH 3.4Å
73	F	98.5	Very high	94.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	152.3	179.8	56.9	-84.1	0	0	0	111.5	A21 L26 L43 Q44 L68 I75 H89 T91	A21-F73 HydrophobicContact CB-CE1 3.87Å; A21-F73 HydrophobicContact CB-CZ 3.62Å; L26-F73 HydrophobicContact CD1-CE2 3.66Å; L26-F73 HydrophobicContact CD1-CZ 3.79Å; L43-F73 HydrophobicContact CD1-CB 4.32Å; L43-F73 HydrophobicContact CD1-CD2 3.46Å; L43-F73 VanDerWaalsContact CD1-CD2 3.46Å; L43-F73 HydrophobicContact CD1-CE2 3.89Å; L43-F73 HydrophobicContact CD1-CG 3.91Å; L43-F73 HydrophobicContact CD2-CB 3.81Å; L43-F73 HydrophobicContact CD2-CD2 4.44Å; L43-F73 HydrophobicContact CD2-CG 4.26Å; L43-F73 HydrophobicContact CG-CB 3.95Å; L43-F73 HydrophobicContact CG-CD2 3.74Å; L43-F73 HydrophobicContact CG-CG 4.06Å; Q44-F73 WeakPolarHBondContact O-CA 3.17Å; L68-F73 HydrophobicContact CD1-CD1 4.02Å; L68-F73 HydrophobicContact CD1-CE1 3.37Å; L68-F73 HydrophobicContact CD1-CZ 3.89Å; L68-F73 HydrophobicContact CD2-CD1 3.84Å; L68-F73 HydrophobicContact CD2-CE1 3.87Å; L68-F73 HydrophobicContact CD2-CG 4.22Å; L68-F73 HydrophobicContact CD2-CZ 4.23Å; L68-F73 HydrophobicContact CG-CD1 4.49Å; L68-F73 HydrophobicContact CG-CE1 4.24Å; F73-I75 HydrophobicContact CD2-CD1 4.02Å; F73-I75 HydrophobicContact CD2-CG1 3.74Å; F73-I75 HydrophobicContact CE2-CD1 3.6Å; F73-I75 HydrophobicContact CE2-CG1 3.82Å; F73-H89 HydrophobicContact CD1-CB 4.47Å; F73-H89 HydrophobicContact CD2-CB 4.09Å; F73-H89 HydrophobicContact CE1-CB 3.84Å; F73-H89 HydrophobicContact CE2-CB 3.43Å; F73-H89 VanDerWaalsContact CE2-CB 3.43Å; F73-H89 AromaticContact CE2-CD2 3.91Å; F73-H89 AromaticContact CE2-CG 3.87Å; F73-H89 HydrophobicContact CZ-CB 3.28Å; F73-H89 PolarHBondContact N-O 3.25Å; F73-H89 PolarHBondContact O-N 2.72Å; F73-T91 HydrophobicContact CE1-CG2 4.23Å
74	K	98.3	Very high	94.5	Very high	27 Å²	27	52.2 Å²	52.2	12%	0.117	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.2	169	-175.6	-178.9	-171.1	155.8	0	109.1	L43 Q44 Q76 N88 D241	L43-K74 CarbonylContact C-O 3.52Å; L43-K74 WeakPolarHBondContact CA-O 3.32Å; Q44-K74 HydrophobicContact CB-CB 4.5Å; Q44-K74 PolarHBondContact N-O 2.92Å; Q44-K74 PolarHBondContact O-N 3.39Å; K74-Q76 HydrophobicContact CD-CG 4.3Å; K74-Q76 HydrophobicContact CG-CG 4.32Å; K74-N88 WeakPolarHBondContact CB-OD1 3.29Å; K74-D241 VanDerWaalsContact CD-OD2 3.3Å; K74-D241 WeakPolarHBondContact CD-OD2 3.47Å; K74-D241 WeakPolarHBondContact CE-OD2 3.48Å; K74-D241 IonicContact NZ-OD1 2.9Å; K74-D241 IonicContact NZ-OD2 2.68Å; K74-D241 PolarHBondContact NZ-OD2 3.12Å
75	I	97.7	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.9	168.3	-67.3	-175.3	0	0	0	109.5	F19 L26 E42 L43 A62 F73 C77 Y85 T86 N87	F19-I75 HydrophobicContact CB-CD1 3.84Å; F19-I75 HydrophobicContact CD1-CD1 4.06Å; F19-I75 HydrophobicContact CD2-CD1 3.95Å; F19-I75 HydrophobicContact CD2-CG2 3.98Å; F19-I75 HydrophobicContact CE2-CG2 4.18Å; F19-I75 HydrophobicContact CG-CD1 3.67Å; L26-I75 HydrophobicContact CD1-CD1 3.53Å; L26-I75 HydrophobicContact CD2-CD1 4.01Å; L26-I75 HydrophobicContact CG-CD1 4.4Å; E42-I75 WeakPolarHBondContact O-CA 3.41Å; L43-I75 HydrophobicContact CB-CG1 4.31Å; L43-I75 HydrophobicContact CD1-CD1 4.16Å; L43-I75 HydrophobicContact CD1-CG1 4.21Å; L43-I75 HydrophobicContact CG-CG1 4.22Å; A62-I75 HydrophobicContact CB-CD1 4.45Å; F73-I75 HydrophobicContact CD2-CD1 4.02Å; F73-I75 HydrophobicContact CD2-CG1 3.74Å; F73-I75 HydrophobicContact CE2-CD1 3.6Å; F73-I75 HydrophobicContact CE2-CG1 3.82Å; I75-C77 VanDerWaalsContact CG2-SG 3.54Å; I75-Y85 HydrophobicContact CB-CE1 4.26Å; I75-Y85 HydrophobicContact CG2-CD1 4.07Å; I75-Y85 HydrophobicContact CG2-CE1 3.96Å; I75-T86 VanDerWaalsContact O-CA 3.3Å; I75-T86 WeakPolarHBondContact O-CA 3.39Å; I75-N87 PolarHBondContact N-O 3.01Å; I75-N87 PolarHBondContact O-N 3.03Å; I75-N87 VanDerWaalsContact O-N 3.12Å
76	Q	97.3	Very high	94.5	Very high	64 Å²	64	46.9 Å²	46.9	30%	0.299	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.8	169.4	-54.4	-172.8	-88	0	0	108.4	C41 E42 R59 K74 Y85 T86	C41-Q76 CarbonylContact C-O 3.5Å; C41-Q76 WeakPolarHBondContact CA-O 3.34Å; E42-Q76 PolarHBondContact N-O 2.78Å; E42-Q76 PolarHBondContact O-N 2.89Å; R59-Q76 VanDerWaalsContact NH2-OE1 3.12Å; K74-Q76 HydrophobicContact CD-CG 4.3Å; K74-Q76 HydrophobicContact CG-CG 4.32Å; Q76-Y85 CarbonylContact C-O 3.56Å; Q76-Y85 VanDerWaalsContact CA-O 3.31Å; Q76-Y85 WeakPolarHBondContact CA-O 3.39Å; Q76-T86 HydrophobicContact CG-CG2 4.1Å
77	C	95.5	Very high	94.5	Very high	8 Å²	8	45.2 Å²	45.2	5%	0.054	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.5	177.3	-55	0	0	0	0	111.7	W18 Q40 C41 I75 N84 Y85	W18-C77 HydrophobicContact CE3-CB 3.76Å; W18-C77 HydrophobicContact CZ3-CB 3.59Å; Q40-C77 CarbonylContact O-C 3.57Å; Q40-C77 WeakPolarHBondContact O-CA 3.49Å; C41-C77 HydrophobicContact CB-CB 4.07Å; C41-C77 WeakPolarHBondContact CB-SG 3.08Å; C41-C77 WeakPolarHBondContact SG-CB 3.41Å; C41-C77 CovalentContact SG-SG 2.04Å; C41-C77 PolarHBondContact SG-SG 2.8Å; I75-C77 VanDerWaalsContact CG2-SG 3.54Å; C77-N84 WeakPolarHBondContact O-CA 3.19Å; C77-Y85 HydrophobicContact CB-CD1 4.48Å; C77-Y85 PolarHBondContact N-O 3.26Å; C77-Y85 PolarHBondContact O-N 2.89Å
78	A	93.5	Very high	94.5	Very high	46 Å²	46	42 Å²	42	38%	0.38	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.4	166.1	0	0	0	0	0	109.3	I39 Q40	I39-A78 WeakPolarHBondContact CA-O 3.17Å; Q40-A78 PolarHBondContact N-O 2.77Å; Q40-A78 PolarHBondContact O-N 3.2Å
79	A	90.7	Very high	94.5	Very high	10 Å²	10	41.9 Å²	41.9	8%	0.083	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	153	172.5	0	0	0	0	0	110.6	W18 P34 A37 I39 D81 G82 K83	W18-A79 HydrophobicContact CH2-CB 3.89Å; W18-A79 HydrophobicContact CZ3-CB 4.43Å; P34-A79 HydrophobicContact CG-CB 4.49Å; A37-A79 HydrophobicContact CB-CB 4.29Å; I39-A79 HydrophobicContact CG2-CB 3.98Å; A79-D81 WeakPolarHBondContact CB-OD1 3.47Å; A79-D81 PolarHBondContact O-N 2.84Å; A79-D81 VanDerWaalsContact O-N 3.16Å; A79-G82 PolarHBondContact O-N 2.84Å; A79-K83 HydrophobicContact CB-CB 4.28Å; A79-K83 PolarHBondContact N-O 3.02Å
80	A	87.1	Confident	94.7	Very high	80 Å²	80	36.5 Å²	36.5	66%	0.661	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.1	179.3	0	0	0	0	0	114.2	S38 G82	S38-A80 PolarHBondContact O-N 3.18Å; A80-G82 PolarHBondContact O-N 3.32Å
81	D	86.2	Confident	94.7	Very high	87 Å²	87	36 Å²	36	47%	0.465	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.9	175.6	70.7	-11	0	0	0	113.5	A79 K83	A79-D81 WeakPolarHBondContact CB-OD1 3.47Å; A79-D81 PolarHBondContact O-N 2.84Å; A79-D81 VanDerWaalsContact O-N 3.16Å; D81-K83 WeakPolarHBondContact OD1-CB 3.48Å; D81-K83 WeakPolarHBondContact OD1-CG 3.14Å; D81-K83 PolarHBondContact OD1-N 2.91Å; D81-K83 WeakPolarHBondContact OD2-CD 3.07Å
82	G	87.3	Confident	94.7	Very high	55 Å²	55	35.7 Å²	35.7	57%	0.567	22%	0.218	S	C	*	.	S	Bend	trans	89.6	-1	179.9	0	0	0	0	0	114.7	A79 A80	A79-G82 PolarHBondContact O-N 2.84Å; A80-G82 PolarHBondContact O-N 3.32Å
83	K	89.7	Confident	94.7	Very high	105 Å²	105	36.3 Å²	36.3	46%	0.457	22%	0.222	S	C	.	.			trans	-71.1	141.8	173.4	-68.4	-178.5	-178.5	-178	0	111	W18 P34 A79 D81	W18-K83 HydrophobicContact CH2-CB 4.34Å; W18-K83 HydrophobicContact CZ2-CB 4.32Å; P34-K83 HydrophobicContact CG-CD 3.86Å; A79-K83 HydrophobicContact CB-CB 4.28Å; A79-K83 PolarHBondContact N-O 3.02Å; D81-K83 WeakPolarHBondContact OD1-CB 3.48Å; D81-K83 WeakPolarHBondContact OD1-CG 3.14Å; D81-K83 PolarHBondContact OD1-N 2.91Å; D81-K83 WeakPolarHBondContact OD2-CD 3.07Å
84	N	92.1	Very high	94.3	Very high	120 Å²	120	39.5 Å²	39.5	64%	0.642	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.1	178.4	-64.7	-40.3	0	0	0	110.2	C77	C77-N84 WeakPolarHBondContact O-CA 3.19Å
85	Y	93.6	Very high	94	Very high	17 Å²	17	40.9 Å²	40.9	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.2	173.3	170.6	-103.8	0	0	0	109.1	N17 W18 F19 I75 Q76 C77 N87 H89	N17-Y85 HydrophobicContact CB-CE2 4.46Å; W18-Y85 HydrophobicContact CB-CD1 3.98Å; W18-Y85 HydrophobicContact CB-CD2 4.18Å; W18-Y85 HydrophobicContact CB-CE1 4.07Å; W18-Y85 HydrophobicContact CB-CE2 4.29Å; W18-Y85 HydrophobicContact CB-CG 4.01Å; W18-Y85 VanDerWaalsContact CD2-CB 3.48Å; W18-Y85 HydrophobicContact CD2-CD1 4.36Å; W18-Y85 HydrophobicContact CD2-CD2 4.25Å; W18-Y85 AromaticContact CD2-CG 3.8Å; W18-Y85 HydrophobicContact CD2-CG 3.8Å; W18-Y85 VanDerWaalsContact CE3-CB 3.48Å; W18-Y85 HydrophobicContact CE3-CD1 4.36Å; W18-Y85 HydrophobicContact CE3-CG 4.05Å; W18-Y85 HydrophobicContact CG-CD1 4.24Å; W18-Y85 AromaticContact CG-CD2 3.89Å; W18-Y85 HydrophobicContact CG-CD2 3.89Å; W18-Y85 HydrophobicContact CG-CE2 4.4Å; W18-Y85 AromaticContact CG-CG 3.79Å; W18-Y85 HydrophobicContact CG-CG 3.79Å; F19-Y85 HydrophobicContact CD2-CE1 4.11Å; I75-Y85 HydrophobicContact CB-CE1 4.26Å; I75-Y85 HydrophobicContact CG2-CD1 4.07Å; I75-Y85 HydrophobicContact CG2-CE1 3.96Å; Q76-Y85 CarbonylContact C-O 3.56Å; Q76-Y85 VanDerWaalsContact CA-O 3.31Å; Q76-Y85 WeakPolarHBondContact CA-O 3.39Å; C77-Y85 HydrophobicContact CB-CD1 4.48Å; C77-Y85 PolarHBondContact N-O 3.26Å; C77-Y85 PolarHBondContact O-N 2.89Å; Y85-N87 HydrophobicContact CE1-CB 4.34Å; Y85-N87 HydrophobicContact CE2-CB 4Å; Y85-N87 WeakPolarHBondContact OH-CB 3.27Å; Y85-H89 AromaticContact CZ-NE2 3.86Å; Y85-H89 PolarHBondContact OH-CE1 2.72Å; Y85-H89 PolarHBondContact OH-NE2 3.21Å
86	T	95.9	Very high	93.2	Very high	75 Å²	75	48.8 Å²	48.8	46%	0.46	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	122.8	172	-70.8	0	0	0	0	109.1	I75 Q76	I75-T86 VanDerWaalsContact O-CA 3.3Å; I75-T86 WeakPolarHBondContact O-CA 3.39Å; Q76-T86 HydrophobicContact CG-CG2 4.1Å
87	N	96.9	Very high	92.3	Very high	13 Å²	13	48 Å²	48	7%	0.07	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.1	175.2	-157.3	-0.3	0	0	0	111.1	N17 I75 Y85 L250	N17-N87 PolarHBondContact ND2-ND2 2.73Å; N17-N87 PolarHBondContact OD1-ND2 3.26Å; I75-N87 PolarHBondContact N-O 3.01Å; I75-N87 PolarHBondContact O-N 3.03Å; I75-N87 VanDerWaalsContact O-N 3.12Å; Y85-N87 HydrophobicContact CE1-CB 4.34Å; Y85-N87 HydrophobicContact CE2-CB 4Å; Y85-N87 WeakPolarHBondContact OH-CB 3.27Å; N87-L250 VanDerWaalsContact ND2-C 3.28Å; N87-L250 PolarHBondContact ND2-O 3.18Å
88	N	97.7	Very high	91.4	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.048	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.2	169.6	-64.9	-75.8	0	0	0	108.8	K74 F234 V238	K74-N88 WeakPolarHBondContact CB-OD1 3.29Å; N88-F234 HydrophobicContact CB-CD2 4.49Å; N88-F234 HydrophobicContact CB-CE2 3.68Å; N88-F234 HydrophobicContact CB-CZ 4.24Å; N88-V238 HydrophobicContact CB-CG2 3.8Å
89	H	97.9	Very high	90.3	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.046	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153	-179.2	-68.1	-83	0	0	0	111.6	F19 F72 F73 Y85 F234	F19-H89 PolarHBondContact O-CE1 3.21Å; F72-H89 WeakPolarHBondContact CA-O 3.29Å; F73-H89 HydrophobicContact CD1-CB 4.47Å; F73-H89 HydrophobicContact CD2-CB 4.09Å; F73-H89 HydrophobicContact CE1-CB 3.84Å; F73-H89 HydrophobicContact CE2-CB 3.43Å; F73-H89 VanDerWaalsContact CE2-CB 3.43Å; F73-H89 AromaticContact CE2-CD2 3.91Å; F73-H89 AromaticContact CE2-CG 3.87Å; F73-H89 HydrophobicContact CZ-CB 3.28Å; F73-H89 PolarHBondContact N-O 3.25Å; F73-H89 PolarHBondContact O-N 2.72Å; Y85-H89 AromaticContact CZ-NE2 3.86Å; Y85-H89 PolarHBondContact OH-CE1 2.72Å; Y85-H89 PolarHBondContact OH-NE2 3.21Å; H89-F234 VanDerWaalsContact C-CE2 3.44Å
90	A	98.2	Very high	89.1	Confident	17 Å²	17	58.9 Å²	58.9	14%	0.14	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.3	175.1	0	0	0	0	0	110.4	D71 F72 L231 F234 Y262	D71-A90 CarbonylContact O-C 3.58Å; D71-A90 VanDerWaalsContact O-CA 3.32Å; D71-A90 WeakPolarHBondContact O-CA 3.29Å; F72-A90 HydrophobicContact CD1-CB 3.83Å; F72-A90 HydrophobicContact CE1-CB 4.11Å; A90-L231 HydrophobicContact CB-CD1 4.07Å; A90-F234 HydrophobicContact CB-CD1 4.46Å; A90-F234 HydrophobicContact CB-CD2 3.92Å; A90-F234 HydrophobicContact CB-CE2 4.07Å; A90-F234 HydrophobicContact CB-CG 4.13Å; A90-F234 HydrophobicContact CB-CZ 4.41Å; A90-Y262 HydrophobicContact CB-CD2 4Å; A90-Y262 HydrophobicContact CB-CE2 4.35Å
91	T	98.1	Very high	88.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.31	C	S	.	.			trans	-156.3	175	173.1	-173.7	0	0	0	0	108.8	A21 K22 N23 G24 L68 D71 F73 V93 Y262 D265	A21-T91 HydrophobicContact CB-CG2 3.89Å; K22-T91 WeakPolarHBondContact CA-OG1 3.47Å; K22-T91 PolarHBondContact N-OG1 2.84Å; N23-T91 PolarHBondContact N-OG1 2.94Å; G24-T91 PolarHBondContact N-OG1 2.66Å; G24-T91 VanDerWaalsContact N-OG1 3.16Å; L68-T91 HydrophobicContact CD1-CG2 3.55Å; D71-T91 CarbonylContact C-O 3.57Å; D71-T91 WeakPolarHBondContact CA-O 3.38Å; D71-T91 WeakPolarHBondContact CB-O 3.46Å; D71-T91 PolarHBondContact O-N 2.75Å; D71-T91 VanDerWaalsContact O-O 3.11Å; F73-T91 HydrophobicContact CE1-CG2 4.23Å; T91-V93 HydrophobicContact CG2-CG2 4.4Å; T91-Y262 WeakPolarHBondContact O-CE2 3.29Å; T91-D265 WeakPolarHBondContact CA-OD2 2.85Å; T91-D265 WeakPolarHBondContact CB-OD2 3.18Å; T91-D265 PolarHBondContact OG1-OD2 3.06Å
92	I	98.1	Very high	86.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-103.2	116.6	175.3	-62.3	-72.7	0	0	0	109.4	N23 G24 L204 H229 Y262 D265 F266 T269 Y270	N23-I92 CarbonylContact C-O 3.51Å; G24-I92 WeakPolarHBondContact CA-O 3.4Å; G24-I92 PolarHBondContact N-O 2.84Å; I92-L204 HydrophobicContact CD1-CD1 3.97Å; I92-H229 HydrophobicContact CD1-CB 4.02Å; I92-Y262 HydrophobicContact CD1-CD1 4.41Å; I92-Y262 HydrophobicContact CD1-CD2 3.95Å; I92-Y262 HydrophobicContact CD1-CE1 3.91Å; I92-Y262 HydrophobicContact CD1-CE2 3.37Å; I92-Y262 HydrophobicContact CD1-CG 4.43Å; I92-Y262 HydrophobicContact CG1-CD2 4.26Å; I92-Y262 HydrophobicContact CG1-CE2 4.04Å; I92-D265 HydrophobicContact CG1-CB 4.1Å; I92-D265 PolarHBondContact N-OD2 2.88Å; I92-F266 HydrophobicContact CD1-CB 3.92Å; I92-F266 HydrophobicContact CD1-CD2 4.37Å; I92-F266 HydrophobicContact CG1-CB 3.81Å; I92-F266 HydrophobicContact CG2-CD2 4.3Å; I92-T269 HydrophobicContact CB-CG2 4.35Å; I92-T269 HydrophobicContact CG2-CG2 3.72Å; I92-Y270 HydrophobicContact CG2-CE2 4.03Å
93	V	97.5	Very high	85.4	Confident	19 Å²	19	59.9 Å²	59.9	12%	0.115	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-95.9	116.5	169.2	178.4	0	0	0	0	108.3	L68 T70 D71 T91 K95 H229	L68-V93 HydrophobicContact CB-CG2 3.95Å; T70-V93 VanDerWaalsContact C-CG2 3.46Å; T70-V93 VanDerWaalsContact O-CG2 3.25Å; T70-V93 WeakPolarHBondContact O-CG2 3.15Å; D71-V93 PolarHBondContact OD1-N 2.78Å; T91-V93 HydrophobicContact CG2-CG2 4.4Å; V93-K95 PolarHBondContact O-N 2.84Å; V93-H229 PolarHBondContact O-CE1 3.26Å
94	P	92	Very high	83.9	Confident	68 Å²	68	60.1 Å²	60.1	44%	0.442	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-51.4	131.4	177.9	-16.4	20.1	0	0	0	111.5	T269 Y270	P94-T269 HydrophobicContact CB-CG2 4.26Å; P94-T269 HydrophobicContact CG-CG2 3.45Å; P94-T269 VanDerWaalsContact CG-CG2 3.45Å; P94-Y270 HydrophobicContact CB-CE1 4.3Å
95	K	91.1	Very high	82.6	Confident	56 Å²	56	55.5 Å²	55.5	24%	0.243	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-87.3	129	178.2	-54.5	-57.9	177.4	-157.9	0	110.3	D71 V93 S97 M98 D228 Y270	D71-K95 IonicContact OD1-NZ 3.06Å; D71-K95 PolarHBondContact OD1-NZ 2.75Å; V93-K95 PolarHBondContact O-N 2.84Å; K95-S97 PolarHBondContact O-N 2.88Å; K95-M98 HydrophobicContact CB-CG 4.19Å; K95-M98 WeakPolarHBondContact O-CB 3.35Å; K95-M98 VanDerWaalsContact O-CG 3.28Å; K95-M98 WeakPolarHBondContact O-CG 3.43Å; K95-M98 PolarHBondContact O-N 3.18Å; K95-D228 WeakPolarHBondContact CE-O 3.29Å; K95-Y270 PolarHBondContact N-OH 3.25Å
96	E	81.5	Confident	81.2	Confident	165 Å²	165	60.3 Å²	60.3	77%	0.771	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-57.3	-35.2	177.5	-66.9	-175	167	0	0	113	M98 N99	E96-M98 PolarHBondContact O-N 3.26Å; E96-N99 WeakPolarHBondContact O-CB 3.44Å; E96-N99 PolarHBondContact O-N 2.76Å
97	S	78.3	Confident	79.9	Confident	48 Å²	48	60.3 Å²	60.3	34%	0.336	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-58.2	-9.3	174.7	64.5	0	0	0	0	114.5	K95 R101	K95-S97 PolarHBondContact O-N 2.88Å; S97-R101 WeakPolarHBondContact O-CG 3.46Å; S97-R101 PolarHBondContact O-NE 2.95Å; S97-R101 PolarHBondContact OG-NH2 2.69Å
98	M	77	Confident	78.7	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.03	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-76.2	-32.8	170.3	-65.3	-89.8	95.9	0	0	112.3	K95 E96 E100 R101 A102 A202 Y270	K95-M98 HydrophobicContact CB-CG 4.19Å; K95-M98 WeakPolarHBondContact O-CB 3.35Å; K95-M98 VanDerWaalsContact O-CG 3.28Å; K95-M98 WeakPolarHBondContact O-CG 3.43Å; K95-M98 PolarHBondContact O-N 3.18Å; E96-M98 PolarHBondContact O-N 3.26Å; M98-E100 PolarHBondContact O-N 3.06Å; M98-R101 CarbonylContact O-C 3.56Å; M98-R101 WeakPolarHBondContact O-CA 3.22Å; M98-R101 PolarHBondContact O-N 3.25Å; M98-A102 PolarHBondContact O-N 3.45Å; M98-A202 HydrophobicContact SD-CB 3.53Å; M98-A202 VanDerWaalsContact SD-CB 3.53Å; M98-Y270 HydrophobicContact CB-CE1 4.19Å; M98-Y270 HydrophobicContact CG-CE1 3.64Å; M98-Y270 HydrophobicContact SD-CE1 3.99Å
99	N	69.3	Low	77.5	Confident	129 Å²	129	72.3 Å²	72.3	69%	0.69	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.8	179.4	-64	-21.7	0	0	0	111.3	E96 R101 A102	E96-N99 WeakPolarHBondContact O-CB 3.44Å; E96-N99 PolarHBondContact O-N 2.76Å; N99-R101 VanDerWaalsContact C-N 3.31Å; N99-A102 WeakPolarHBondContact O-CB 3.11Å
100	E	66.7	Low	76.5	Confident	157 Å²	157	82.7 Å²	82.7	73%	0.734	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.1	174.9	-61.8	179.7	174.5	0	0	112.6	M98	M98-E100 PolarHBondContact O-N 3.06Å
101	R	67.2	Low	75.9	Confident	50 Å²	50	83.8 Å²	83.8	19%	0.189	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.3	179.9	-70.7	-177.5	-105.3	171.5	-5.2	113.5	S97 M98 N99 N103 K197 D228	S97-R101 WeakPolarHBondContact O-CG 3.46Å; S97-R101 PolarHBondContact O-NE 2.95Å; S97-R101 PolarHBondContact OG-NH2 2.69Å; M98-R101 CarbonylContact O-C 3.56Å; M98-R101 WeakPolarHBondContact O-CA 3.22Å; M98-R101 PolarHBondContact O-N 3.25Å; N99-R101 VanDerWaalsContact C-N 3.31Å; R101-N103 PolarHBondContact O-N 3.23Å; R101-K197 VanDerWaalsContact NH1-CG 3.28Å; R101-D228 IonicContact CZ-OD1 3.35Å; R101-D228 IonicContact NH1-OD1 2.93Å; R101-D228 PolarHBondContact NH1-OD1 3.14Å; R101-D228 IonicContact NH1-OD2 3.2Å; R101-D228 PolarHBondContact NH1-OD2 2.8Å; R101-D228 IonicContact NH2-OD1 2.8Å; R101-D228 PolarHBondContact NH2-OD1 2.95Å
102	A	57.4	Low	75.5	Confident	68 Å²	68	90.2 Å²	90.2	56%	0.562	49%	0.486	S	S	*	.			trans	-68.7	2.2	-179.1	0	0	0	0	0	114.6	M98 N99	M98-A102 PolarHBondContact O-N 3.45Å; N99-A102 WeakPolarHBondContact O-CB 3.11Å
103	N	56.8	Low	75.3	Confident	125 Å²	125	93.2 Å²	93.2	67%	0.668	50%	0.502	S	S	*	.	S	Bend	trans	-56.1	145.8	165.3	-79.4	-36.8	0	0	0	109.9	R101 V105	R101-N103 PolarHBondContact O-N 3.23Å; N103-V105 PolarHBondContact O-N 3.49Å
104	P	59.5	Low	75.3	Confident	111 Å²	111	94.9 Å²	94.9	72%	0.721	51%	0.509	S	S	*	.			trans	-50.5	128.8	-174.6	18.7	-31.2	0	0	0	110.4	I106	P104-I106 PolarHBondContact O-N 3.04Å
105	V	63.4	Low	75.6	Confident	23 Å²	23	94.3 Å²	94.3	14%	0.139	50%	0.499	C	S	.	.			trans	-46.4	113.1	179.2	177.6	0	0	0	0	108.7	N103 G107 F108 P111 F199 Y201 P275	N103-V105 PolarHBondContact O-N 3.49Å; V105-G107 PolarHBondContact O-N 3.42Å; V105-F108 HydrophobicContact CG1-CB 3.86Å; V105-F108 HydrophobicContact CG1-CD2 3.82Å; V105-F108 HydrophobicContact CG1-CG 4.3Å; V105-F108 PolarHBondContact O-N 3.17Å; V105-P111 HydrophobicContact CB-CG 4.47Å; V105-P111 HydrophobicContact CG1-CB 4.24Å; V105-P111 HydrophobicContact CG2-CB 4.39Å; V105-P111 HydrophobicContact CG2-CG 4Å; V105-F199 WeakPolarHBondContact CA-O 3.07Å; V105-F199 HydrophobicContact CG1-CB 4.27Å; V105-F199 WeakPolarHBondContact CG1-O 3.41Å; V105-Y201 HydrophobicContact CG1-CE2 4.25Å; V105-P275 HydrophobicContact CG2-CG 3.62Å
106	I	65.1	Low	75.9	Confident	118 Å²	118	95.4 Å²	95.4	61%	0.605	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	116.5	-173.3	-59.8	172.7	0	0	0	107.9	P104 F199	P104-I106 PolarHBondContact O-N 3.04Å; I106-F199 HydrophobicContact CB-CD1 4.24Å
107	G	68.2	Low	76.6	Confident	74 Å²	74	89.8 Å²	89.8	76%	0.763	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-3.9	173.9	0	0	0	0	0	116.6	V105	V105-G107 PolarHBondContact O-N 3.42Å
108	F	71	Confident	77.4	Confident	102 Å²	102	88.5 Å²	88.5	45%	0.447	47%	0.473	S	S	.	.			trans	-127.5	110.2	-179.2	-61.3	-84.1	0	0	0	112.4	V105 R110 P111 F199	V105-F108 HydrophobicContact CG1-CB 3.86Å; V105-F108 HydrophobicContact CG1-CD2 3.82Å; V105-F108 HydrophobicContact CG1-CG 4.3Å; V105-F108 PolarHBondContact O-N 3.17Å; F108-R110 PolarHBondContact O-N 3.45Å; F108-P111 HydrophobicContact CB-CB 4.3Å; F108-F199 HydrophobicContact CE2-CD2 4.13Å; F108-F199 HydrophobicContact CE2-CE2 4.32Å
109	N	73.3	Confident	78.3	Confident	172 Å²	172	89.3 Å²	89.3	92%	0.92	48%	0.477	S	S	*	.	S	Bend	trans	-66.6	-25.8	175.6	-70.2	-15.4	0	0	0	113
110	R	76.3	Confident	79.4	Confident	229 Å²	229	83.7 Å²	83.7	86%	0.864	45%	0.447	S	S	*	.	S	Bend	trans	-145.7	79.3	-179.2	-67	-174.8	-177.6	171.7	0.6	109.4	F108	F108-R110 PolarHBondContact O-N 3.45Å
111	P	85.7	Confident	80.5	Confident	39 Å²	39	80.1 Å²	80.1	25%	0.253	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-64.4	140.2	179.4	31.2	-38.7	0	0	0	110.4	V105 F108 Y201 P275	V105-P111 HydrophobicContact CB-CG 4.47Å; V105-P111 HydrophobicContact CG1-CB 4.24Å; V105-P111 HydrophobicContact CG2-CB 4.39Å; V105-P111 HydrophobicContact CG2-CG 4Å; F108-P111 HydrophobicContact CB-CB 4.3Å; P111-Y201 HydrophobicContact CB-CE2 4.28Å; P111-Y201 WeakPolarHBondContact CB-OH 3.07Å; P111-P275 HydrophobicContact CB-CB 3.85Å; P111-P275 HydrophobicContact CB-CG 4.33Å; P111-P275 HydrophobicContact CG-CB 3.98Å; P111-P275 HydrophobicContact CG-CG 4.24Å
112	L	90.6	Very high	81.7	Confident	136 Å²	136	79.3 Å²	79.3	71%	0.712	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-89.1	145.5	169.9	-64.2	177.2	0	0	0	109.5	Y201	L112-Y201 VanDerWaalsContact O-CE1 3.29Å; L112-Y201 WeakPolarHBondContact O-CE1 3.45Å; L112-Y201 PolarHBondContact O-OH 3.41Å
113	N	94	Very high	83.3	Confident	63 Å²	63	79 Å²	79	34%	0.337	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-69.9	143.1	161.8	-65.7	-45.3	0	0	0	109.5	F267 K276	N113-F267 HydrophobicContact CB-CE1 3.74Å; N113-F267 HydrophobicContact CB-CZ 4.35Å; N113-K276 WeakPolarHBondContact CA-O 3.47Å; N113-K276 WeakPolarHBondContact OD1-CB 3.21Å; N113-K276 PolarHBondContact OD1-N 3.25Å
114	I	96.6	Very high	85	Confident	53 Å²	53	78.1 Å²	78.1	27%	0.272	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.6	-179.2	-59.9	169.2	0	0	0	107.5	F116 L196 Y201 K276 F277 A278	I114-F116 HydrophobicContact CG2-CD2 3.87Å; I114-F116 HydrophobicContact CG2-CE2 3.44Å; I114-F116 VanDerWaalsContact CG2-CE2 3.44Å; I114-F116 HydrophobicContact CG2-CZ 4.37Å; I114-L196 HydrophobicContact CD1-CD1 3.93Å; I114-L196 HydrophobicContact CD1-CD2 4.2Å; I114-Y201 HydrophobicContact CD1-CE1 4.27Å; I114-Y201 HydrophobicContact CG1-CE1 4.5Å; I114-K276 PolarHBondContact N-O 3.46Å; I114-F277 HydrophobicContact CB-CD2 3.89Å; I114-F277 HydrophobicContact CG2-CD2 3.72Å; I114-F277 HydrophobicContact CG2-CE2 3.94Å; I114-F277 CarbonylContact O-C 3.38Å; I114-F277 VanDerWaalsContact O-CA 3.29Å; I114-F277 WeakPolarHBondContact O-CA 3.31Å; I114-A278 PolarHBondContact O-N 3.4Å
115	Y	97.9	Very high	86.6	Confident	56 Å²	56	76.7 Å²	76.7	22%	0.22	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.7	178.6	177.1	-148.2	0	0	0	110	L117 V263 A278 Q280 H303 F307	Y115-L117 HydrophobicContact CE1-CB 4.28Å; Y115-L117 HydrophobicContact CE2-CB 4.13Å; Y115-V263 HydrophobicContact CD2-CG1 4.24Å; Y115-V263 HydrophobicContact CE1-CG1 4.37Å; Y115-V263 HydrophobicContact CE2-CG1 3.88Å; Y115-V263 HydrophobicContact CE2-CG2 4.46Å; Y115-A278 WeakPolarHBondContact CA-O 3.43Å; Y115-A278 HydrophobicContact CD2-CB 3.7Å; Y115-A278 HydrophobicContact CE2-CB 4.33Å; Y115-A278 HydrophobicContact CG-CB 4.46Å; Y115-Q280 HydrophobicContact CE2-CB 3.85Å; Y115-Q280 PolarHBondContact OH-OE1 2.9Å; Y115-H303 AromaticContact CE1-NE2 3.36Å; Y115-H303 WeakPolarHBondContact CE1-NE2 3.31Å; Y115-H303 AromaticContact CZ-NE2 3.44Å; Y115-H303 PolarHBondContact OH-NE2 3.46Å; Y115-F307 AromaticContact CD1-CE2 3.99Å; Y115-F307 HydrophobicContact CD1-CE2 3.99Å; Y115-F307 HydrophobicContact CD1-CZ 4.1Å; Y115-F307 HydrophobicContact CE1-CD2 4.5Å; Y115-F307 AromaticContact CE1-CE2 3.71Å; Y115-F307 HydrophobicContact CE1-CE2 3.71Å; Y115-F307 HydrophobicContact CE1-CZ 4.08Å
116	F	97.7	Very high	88	Confident	79 Å²	79	76.7 Å²	76.7	35%	0.346	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.2	171.3	-71.6	-89.3	0	0	0	108.6	I114 I164 F277 A278 F279 Q280	I114-F116 HydrophobicContact CG2-CD2 3.87Å; I114-F116 HydrophobicContact CG2-CE2 3.44Å; I114-F116 VanDerWaalsContact CG2-CE2 3.44Å; I114-F116 HydrophobicContact CG2-CZ 4.37Å; F116-I164 HydrophobicContact CD1-CG2 4.49Å; F116-I164 HydrophobicContact CE1-CG2 3.79Å; F116-I164 HydrophobicContact CZ-CG2 4.21Å; F116-F277 AromaticContact CD2-CE2 3.91Å; F116-F277 HydrophobicContact CD2-CE2 3.91Å; F116-F277 HydrophobicContact CD2-CZ 4.22Å; F116-F277 AromaticContact CE2-CE2 3.8Å; F116-F277 HydrophobicContact CE2-CE2 3.8Å; F116-F277 HydrophobicContact CE2-CZ 4.41Å; F116-A278 PolarHBondContact N-O 2.9Å; F116-F279 HydrophobicContact CB-CD2 3.6Å; F116-F279 HydrophobicContact CB-CE2 4.2Å; F116-F279 HydrophobicContact CG-CD2 4.21Å; F116-Q280 PolarHBondContact O-N 2.76Å
117	L	97.1	Very high	89.4	Confident	48 Å²	48	73 Å²	73	25%	0.251	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.2	171.3	174.5	57.3	0	0	0	108.7	Y115 F119 L260 Q280 T300	Y115-L117 HydrophobicContact CE1-CB 4.28Å; Y115-L117 HydrophobicContact CE2-CB 4.13Å; L117-F119 HydrophobicContact CD1-CE2 4.45Å; L117-F119 HydrophobicContact CD1-CZ 4.35Å; L117-F119 HydrophobicContact CD2-CE2 4.34Å; L117-F119 HydrophobicContact CD2-CZ 4.39Å; L117-F119 HydrophobicContact CG-CE2 4.1Å; L117-F119 HydrophobicContact CG-CZ 4.37Å; L117-L260 HydrophobicContact CD1-CD2 4.29Å; L117-Q280 WeakPolarHBondContact CA-O 3.4Å; L117-Q280 HydrophobicContact CD1-CB 4.49Å; L117-Q280 HydrophobicContact CD1-CG 4.28Å; L117-T300 HydrophobicContact CD2-CG2 3.84Å
118	G	95.1	Very high	90.7	Very high	21 Å²	21	72.4 Å²	72.4	22%	0.216	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.8	179.9	0	0	0	0	0	113.4	Q280 I281 H282	G118-Q280 PolarHBondContact N-O 2.79Å; G118-I281 WeakPolarHBondContact O-CA 3.37Å; G118-H282 PolarHBondContact O-N 2.87Å
119	F	94.7	Very high	91.8	Very high	23 Å²	23	72.8 Å²	72.8	10%	0.101	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.6	174.2	-60.3	-90.1	0	0	0	109.4	L117 V122 F127 L131 H282 V293 A296 T300	L117-F119 HydrophobicContact CD1-CE2 4.45Å; L117-F119 HydrophobicContact CD1-CZ 4.35Å; L117-F119 HydrophobicContact CD2-CE2 4.34Å; L117-F119 HydrophobicContact CD2-CZ 4.39Å; L117-F119 HydrophobicContact CG-CE2 4.1Å; L117-F119 HydrophobicContact CG-CZ 4.37Å; F119-V122 HydrophobicContact CB-CB 4.09Å; F119-V122 HydrophobicContact CB-CG2 3.59Å; F119-V122 WeakPolarHBondContact O-CB 3.47Å; F119-V122 PolarHBondContact O-N 2.73Å; F119-F127 HydrophobicContact CD2-CE2 4.09Å; F119-F127 HydrophobicContact CE2-CE2 4.17Å; F119-L131 HydrophobicContact CD2-CD1 4.19Å; F119-L131 HydrophobicContact CE2-CD1 4.26Å; F119-L131 HydrophobicContact CG-CD1 4.49Å; F119-H282 CarbonylContact C-O 3.54Å; F119-H282 WeakPolarHBondContact CA-O 3.31Å; F119-H282 HydrophobicContact CD1-CB 3.84Å; F119-H282 HydrophobicContact CE1-CB 4.24Å; F119-H282 AromaticContact CE1-CD2 3.96Å; F119-V293 HydrophobicContact CB-CG2 4.47Å; F119-V293 HydrophobicContact CD1-CG2 4.04Å; F119-V293 HydrophobicContact CG-CG2 4.4Å; F119-A296 HydrophobicContact CE1-CB 3.96Å; F119-T300 HydrophobicContact CZ-CG2 4.17Å
120	D	92.9	Very high	92.9	Very high	11 Å²	11	65 Å²	65	6%	0.059	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	123.4	-176.3	-171.3	5	0	0	0	111.6	T157 H282 V283 S286 H287	D120-T157 VanDerWaalsContact CG-OG1 3.25Å; D120-T157 PolarHBondContact OD1-OG1 3.02Å; D120-T157 VanDerWaalsContact OD1-OG1 3.13Å; D120-T157 WeakPolarHBondContact OD2-CB 3.01Å; D120-T157 VanDerWaalsContact OD2-CG2 3.27Å; D120-T157 WeakPolarHBondContact OD2-CG2 3.34Å; D120-T157 PolarHBondContact OD2-OG1 2.84Å; D120-H282 PolarHBondContact N-O 2.86Å; D120-V283 HydrophobicContact CB-CG2 4.1Å; D120-S286 CarbonylContact O-C 3.49Å; D120-S286 WeakPolarHBondContact O-CB 3.29Å; D120-S286 PolarHBondContact O-OG 2.78Å; D120-H287 PolarHBondContact O-N 2.95Å; D120-H287 VanDerWaalsContact O-N 3.1Å
121	S	90.3	Very high	93.8	Very high	81 Å²	81	54 Å²	54	57%	0.566	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	cis	-110.8	71.7	-0.6	-52.4	0	0	0	0	111.1
122	V	91.8	Very high	94.3	Very high	34 Å²	34	58.2 Å²	58.2	21%	0.206	29%	0.293	C	S	.	.			trans	-87.7	118	-171.8	-176.3	0	0	0	0	111.7	F119 F127 V293	F119-V122 HydrophobicContact CB-CB 4.09Å; F119-V122 HydrophobicContact CB-CG2 3.59Å; F119-V122 WeakPolarHBondContact O-CB 3.47Å; F119-V122 PolarHBondContact O-N 2.73Å; V122-F127 HydrophobicContact CG1-CB 3.89Å; V122-F127 HydrophobicContact CG1-CD2 4.37Å; V122-V293 HydrophobicContact CG2-CG2 4.05Å
123	S	91.7	Very high	94.7	Very high	61 Å²	61	56.9 Å²	56.9	43%	0.427	28%	0.283	S	S	.	.			trans	-72	158	169.5	75	0	0	0	0	112	M125 S126 F127	S123-M125 PolarHBondContact O-N 2.72Å; S123-S126 PolarHBondContact O-N 3.02Å; S123-S126 PolarHBondContact OG-N 2.9Å; S123-S126 VanDerWaalsContact OG-N 3.13Å; S123-S126 PolarHBondContact OG-OG 2.89Å; S123-F127 PolarHBondContact O-N 2.88Å
124	R	93.1	Very high	94.8	Very high	106 Å²	106	54 Å²	54	40%	0.4	27%	0.268	S	S	.	.	H	α-helix	trans	-50.2	-43.8	173	177.8	-175.9	156.4	-125.5	5	112.6	F127 M128 E148	R124-F127 WeakPolarHBondContact O-CB 3.42Å; R124-F127 PolarHBondContact O-N 2.83Å; R124-M128 HydrophobicContact CG-SD 4.14Å; R124-M128 WeakPolarHBondContact O-CG 3.21Å; R124-M128 PolarHBondContact O-N 3.12Å; R124-E148 IonicContact CZ-OE1 3.77Å; R124-E148 IonicContact NH2-OE1 3.66Å; R124-E148 PolarHBondContact NH2-OE1 2.83Å
125	M	92.6	Very high	94.9	Very high	81 Å²	81	54 Å²	54	40%	0.399	26%	0.264	S	S	.	.	H	α-helix	trans	-67.8	-36.8	-179.9	-68.6	-62.4	98.9	0	0	112.4	S123 M128 R129	S123-M125 PolarHBondContact O-N 2.72Å; M125-M128 HydrophobicContact CE-SD 3.45Å; M125-M128 WeakPolarHBondContact CE-SD 3.46Å; M125-R129 WeakPolarHBondContact O-CG 3.47Å; M125-R129 VanDerWaalsContact O-CZ 3.25Å; M125-R129 PolarHBondContact O-N 2.77Å; M125-R129 PolarHBondContact O-NE 3.43Å
126	S	92.6	Very high	94.9	Very high	23 Å²	23	55.9 Å²	55.9	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-69.4	-41.4	173.9	-66.1	0	0	0	0	111.2	S123 M128 R129 K130	S123-S126 PolarHBondContact O-N 3.02Å; S123-S126 PolarHBondContact OG-N 2.9Å; S123-S126 VanDerWaalsContact OG-N 3.13Å; S123-S126 PolarHBondContact OG-OG 2.89Å; S126-M128 PolarHBondContact O-N 3.41Å; S126-R129 PolarHBondContact O-N 3.03Å; S126-R129 VanDerWaalsContact O-N 3.15Å; S126-R129 PolarHBondContact OG-NH2 2.67Å; S126-K130 WeakPolarHBondContact O-CB 3.47Å; S126-K130 PolarHBondContact O-N 3.28Å
127	F	94.9	Very high	94.9	Very high	41 Å²	41	52.7 Å²	52.7	18%	0.18	26%	0.26	C	S	.	.	H	α-helix	trans	-54.9	-54	174.4	-167.5	-77.3	0	0	0	110.7	F119 V122 S123 R124 R129 K130 L131 T134 Y135 I138	F119-F127 HydrophobicContact CD2-CE2 4.09Å; F119-F127 HydrophobicContact CE2-CE2 4.17Å; V122-F127 HydrophobicContact CG1-CB 3.89Å; V122-F127 HydrophobicContact CG1-CD2 4.37Å; S123-F127 PolarHBondContact O-N 2.88Å; R124-F127 WeakPolarHBondContact O-CB 3.42Å; R124-F127 PolarHBondContact O-N 2.83Å; F127-R129 PolarHBondContact O-N 3.23Å; F127-R129 VanDerWaalsContact O-N 3.14Å; F127-K130 PolarHBondContact O-N 2.98Å; F127-L131 HydrophobicContact CD1-CB 4.15Å; F127-L131 HydrophobicContact CD2-CB 4.46Å; F127-L131 HydrophobicContact CD2-CD1 3.39Å; F127-L131 HydrophobicContact CE1-CB 4.08Å; F127-L131 HydrophobicContact CE2-CB 4.39Å; F127-L131 HydrophobicContact CE2-CD1 3.42Å; F127-L131 VanDerWaalsContact CE2-CD1 3.42Å; F127-L131 HydrophobicContact CG-CB 4.33Å; F127-L131 HydrophobicContact CG-CD1 3.98Å; F127-L131 HydrophobicContact CZ-CB 4.2Å; F127-L131 HydrophobicContact CZ-CD1 4.03Å; F127-L131 CarbonylContact O-C 3.54Å; F127-L131 WeakPolarHBondContact O-CA 3.37Å; F127-L131 WeakPolarHBondContact O-CB 3.32Å; F127-L131 PolarHBondContact O-N 3.33Å; F127-T134 HydrophobicContact CE1-CG2 4.23Å; F127-T134 HydrophobicContact CZ-CG2 3.74Å; F127-Y135 HydrophobicContact CD1-CD2 4.08Å; F127-Y135 HydrophobicContact CE1-CD2 4.22Å; F127-I138 HydrophobicContact CE1-CD1 4.33Å; F127-I138 HydrophobicContact CZ-CD1 4.07Å
128	M	94.9	Very high	94.9	Very high	61 Å²	61	52.8 Å²	52.8	30%	0.3	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-28.6	179.3	-70	173.1	68.4	0	0	113.8	R124 M125 S126 K132 Y135	R124-M128 HydrophobicContact CG-SD 4.14Å; R124-M128 WeakPolarHBondContact O-CG 3.21Å; R124-M128 PolarHBondContact O-N 3.12Å; M125-M128 HydrophobicContact CE-SD 3.45Å; M125-M128 WeakPolarHBondContact CE-SD 3.46Å; S126-M128 PolarHBondContact O-N 3.41Å; M128-K132 WeakPolarHBondContact O-CG 3.4Å; M128-Y135 HydrophobicContact CE-CE1 4.14Å; M128-Y135 HydrophobicContact CG-CD1 4.37Å; M128-Y135 HydrophobicContact CG-CD2 3.72Å; M128-Y135 HydrophobicContact CG-CE1 4.27Å; M128-Y135 HydrophobicContact CG-CE2 3.6Å; M128-Y135 HydrophobicContact CG-CG 4.1Å; M128-Y135 HydrophobicContact SD-CE2 4.18Å
129	R	94.4	Very high	95	Very high	110 Å²	110	53.6 Å²	53.6	42%	0.415	26%	0.261	S	S	.	.	H	α-helix	trans	-86.5	-30.9	179.5	-75.2	-172.6	-62.4	-96.8	-2.3	113.8	M125 S126 F127 K132	M125-R129 WeakPolarHBondContact O-CG 3.47Å; M125-R129 VanDerWaalsContact O-CZ 3.25Å; M125-R129 PolarHBondContact O-N 2.77Å; M125-R129 PolarHBondContact O-NE 3.43Å; S126-R129 PolarHBondContact O-N 3.03Å; S126-R129 VanDerWaalsContact O-N 3.15Å; S126-R129 PolarHBondContact OG-NH2 2.67Å; F127-R129 PolarHBondContact O-N 3.23Å; F127-R129 VanDerWaalsContact O-N 3.14Å; R129-K132 WeakPolarHBondContact O-CE 3.34Å
130	K	95.2	Very high	95.1	Very high	8 Å²	8	58 Å²	58	4%	0.035	28%	0.282	C	S	.	.	H	α-helix	trans	-110.3	-25.7	-169	-68.5	-67.3	-174	171.3	0	114.3	H5 S126 F127 N291 V293 E294	H5-K130 PolarHBondContact O-NZ 3.49Å; S126-K130 WeakPolarHBondContact O-CB 3.47Å; S126-K130 PolarHBondContact O-N 3.28Å; F127-K130 PolarHBondContact O-N 2.98Å; K130-N291 WeakPolarHBondContact CE-OD1 3.46Å; K130-N291 PolarHBondContact NZ-OD1 2.04Å; K130-V293 HydrophobicContact CB-CG1 3.47Å; K130-V293 VanDerWaalsContact CB-CG1 3.47Å; K130-V293 HydrophobicContact CG-CG1 4.02Å; K130-E294 HydrophobicContact CD-CB 4.2Å; K130-E294 WeakPolarHBondContact O-CA 3.33Å
131	L	95.8	Very high	95.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-116.2	57	178	-65.9	163.3	0	0	0	107.9	F119 F127 Y135 V293 A296 D297	F119-L131 HydrophobicContact CD2-CD1 4.19Å; F119-L131 HydrophobicContact CE2-CD1 4.26Å; F119-L131 HydrophobicContact CG-CD1 4.49Å; F127-L131 HydrophobicContact CD1-CB 4.15Å; F127-L131 HydrophobicContact CD2-CB 4.46Å; F127-L131 HydrophobicContact CD2-CD1 3.39Å; F127-L131 HydrophobicContact CE1-CB 4.08Å; F127-L131 HydrophobicContact CE2-CB 4.39Å; F127-L131 HydrophobicContact CE2-CD1 3.42Å; F127-L131 VanDerWaalsContact CE2-CD1 3.42Å; F127-L131 HydrophobicContact CG-CB 4.33Å; F127-L131 HydrophobicContact CG-CD1 3.98Å; F127-L131 HydrophobicContact CZ-CB 4.2Å; F127-L131 HydrophobicContact CZ-CD1 4.03Å; F127-L131 CarbonylContact O-C 3.54Å; F127-L131 WeakPolarHBondContact O-CA 3.37Å; F127-L131 WeakPolarHBondContact O-CB 3.32Å; F127-L131 PolarHBondContact O-N 3.33Å; L131-Y135 VanDerWaalsContact O-CB 3.29Å; L131-Y135 WeakPolarHBondContact O-CB 3.48Å; L131-Y135 PolarHBondContact O-N 3.02Å; L131-V293 HydrophobicContact CD1-CG2 3.94Å; L131-V293 HydrophobicContact CD2-CG2 4.33Å; L131-V293 WeakPolarHBondContact CD2-O 3.39Å; L131-V293 HydrophobicContact CG-CG2 4.28Å; L131-A296 HydrophobicContact CD2-CB 4.22Å; L131-D297 VanDerWaalsContact C-CG 3.49Å; L131-D297 VanDerWaalsContact CA-CG 3.42Å; L131-D297 VanDerWaalsContact CA-OD1 3.29Å; L131-D297 WeakPolarHBondContact CA-OD1 3.1Å; L131-D297 HydrophobicContact CD2-CB 3.93Å
132	K	96.7	Very high	95.5	Very high	126 Å²	126	62.9 Å²	62.9	55%	0.548	30%	0.298	S	S	.	.	H	α-helix	trans	-68.5	-45.9	-169.5	-72	178.9	-178	174.2	0	111.2	M128 R129 T134 Y135 K136 D297	M128-K132 WeakPolarHBondContact O-CG 3.4Å; R129-K132 WeakPolarHBondContact O-CE 3.34Å; K132-T134 VanDerWaalsContact C-N 3.32Å; K132-Y135 PolarHBondContact O-N 2.9Å; K132-K136 VanDerWaalsContact O-CB 3.32Å; K132-K136 WeakPolarHBondContact O-CB 3.39Å; K132-K136 PolarHBondContact O-N 2.92Å; K132-D297 PolarHBondContact N-OD1 3.04Å; K132-D297 PolarHBondContact N-OD2 3.29Å
133	E	97.9	Very high	95.8	Very high	109 Å²	109	67.6 Å²	67.6	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-69.1	-37.4	-179.4	-60.1	-53.5	129.6	0	0	110.4	K136 H137 D297 V301	E133-K136 PolarHBondContact O-N 3.04Å; E133-H137 VanDerWaalsContact O-CB 3.26Å; E133-H137 WeakPolarHBondContact O-CB 3.5Å; E133-H137 PolarHBondContact O-N 3.21Å; E133-D297 PolarHBondContact N-OD1 3.37Å; E133-D297 PolarHBondContact N-OD2 3.3Å; E133-V301 VanDerWaalsContact C-CG2 3.46Å; E133-V301 HydrophobicContact CB-CG2 3.9Å
134	T	97.5	Very high	96	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-49.6	173.1	-55.7	0	0	0	0	111.1	F127 K132 K136 H137 I138 D297 T300 L304	F127-T134 HydrophobicContact CE1-CG2 4.23Å; F127-T134 HydrophobicContact CZ-CG2 3.74Å; K132-T134 VanDerWaalsContact C-N 3.32Å; T134-K136 VanDerWaalsContact C-N 3.35Å; T134-K136 PolarHBondContact O-N 3.03Å; T134-H137 PolarHBondContact O-N 2.81Å; T134-I138 HydrophobicContact CG2-CD1 3.86Å; T134-I138 HydrophobicContact CG2-CG1 4.5Å; T134-I138 VanDerWaalsContact O-CG1 3.28Å; T134-I138 WeakPolarHBondContact O-CG1 3.4Å; T134-I138 PolarHBondContact O-N 3.04Å; T134-D297 VanDerWaalsContact CB-OD1 3.3Å; T134-D297 WeakPolarHBondContact CB-OD1 3.37Å; T134-D297 PolarHBondContact N-OD1 3.27Å; T134-D297 PolarHBondContact OG1-O 2.88Å; T134-D297 PolarHBondContact OG1-OD1 2.69Å; T134-T300 HydrophobicContact CG2-CG2 3.55Å; T134-L304 HydrophobicContact CG2-CD1 4.11Å
135	Y	97.9	Very high	96.1	Very high	53 Å²	53	66.8 Å²	66.8	21%	0.208	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-47.8	178.2	-177	-97.3	0	0	0	111	F127 M128 L131 K132 H137 I138 T139 V146	F127-Y135 HydrophobicContact CD1-CD2 4.08Å; F127-Y135 HydrophobicContact CE1-CD2 4.22Å; M128-Y135 HydrophobicContact CE-CE1 4.14Å; M128-Y135 HydrophobicContact CG-CD1 4.37Å; M128-Y135 HydrophobicContact CG-CD2 3.72Å; M128-Y135 HydrophobicContact CG-CE1 4.27Å; M128-Y135 HydrophobicContact CG-CE2 3.6Å; M128-Y135 HydrophobicContact CG-CG 4.1Å; M128-Y135 HydrophobicContact SD-CE2 4.18Å; L131-Y135 VanDerWaalsContact O-CB 3.29Å; L131-Y135 WeakPolarHBondContact O-CB 3.48Å; L131-Y135 PolarHBondContact O-N 3.02Å; K132-Y135 PolarHBondContact O-N 2.9Å; Y135-H137 PolarHBondContact O-N 3.11Å; Y135-I138 PolarHBondContact O-N 3.4Å; Y135-T139 HydrophobicContact CD1-CG2 4.39Å; Y135-T139 HydrophobicContact CD2-CG2 4.48Å; Y135-T139 HydrophobicContact CE1-CG2 3.96Å; Y135-T139 HydrophobicContact CE2-CG2 4.07Å; Y135-T139 PolarHBondContact O-N 3.4Å; Y135-T139 PolarHBondContact O-OG1 3.31Å; Y135-T139 VanDerWaalsContact O-OG1 3.06Å; Y135-V146 HydrophobicContact CE2-CG2 3.93Å
136	K	98	Very high	96.3	Very high	96 Å²	96	65 Å²	65	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-56.8	-48.9	175.9	-173.9	-174.2	176.8	-173.7	0	111.5	K132 E133 T134 I138 T139 E140	K132-K136 VanDerWaalsContact O-CB 3.32Å; K132-K136 WeakPolarHBondContact O-CB 3.39Å; K132-K136 PolarHBondContact O-N 2.92Å; E133-K136 PolarHBondContact O-N 3.04Å; T134-K136 VanDerWaalsContact C-N 3.35Å; T134-K136 PolarHBondContact O-N 3.03Å; K136-I138 VanDerWaalsContact C-N 3.33Å; K136-I138 PolarHBondContact O-N 3Å; K136-T139 PolarHBondContact O-N 3.46Å; K136-T139 PolarHBondContact O-OG1 3.08Å; K136-E140 WeakPolarHBondContact CE-OE2 3.45Å; K136-E140 VanDerWaalsContact CG-CD 3.45Å; K136-E140 HydrophobicContact CG-CG 4.16Å; K136-E140 WeakPolarHBondContact CG-OE2 3.35Å; K136-E140 VanDerWaalsContact O-CB 3.27Å; K136-E140 WeakPolarHBondContact O-CB 3.29Å; K136-E140 PolarHBondContact O-N 2.73Å
137	H	97.8	Very high	96.4	Very high	12 Å²	12	69.5 Å²	69.5	6%	0.056	35%	0.347	C	S	.	.	I	π-helix	trans	-60.9	-42.4	178.8	-172.9	71.2	0	0	0	111.8	E133 T134 Y135 E141 L142 V301 Q308	E133-H137 VanDerWaalsContact O-CB 3.26Å; E133-H137 WeakPolarHBondContact O-CB 3.5Å; E133-H137 PolarHBondContact O-N 3.21Å; T134-H137 PolarHBondContact O-N 2.81Å; Y135-H137 PolarHBondContact O-N 3.11Å; H137-E141 WeakPolarHBondContact ND1-CB 2.93Å; H137-E141 WeakPolarHBondContact O-CA 3.44Å; H137-E141 VanDerWaalsContact O-CB 3.31Å; H137-E141 WeakPolarHBondContact O-CB 3.13Å; H137-E141 PolarHBondContact O-N 2.8Å; H137-E141 VanDerWaalsContact O-N 3.08Å; H137-L142 PolarHBondContact O-N 3.45Å; H137-V301 HydrophobicContact CB-CG1 4.38Å; H137-V301 HydrophobicContact CB-CG2 4.28Å; H137-Q308 PolarHBondContact CE1-OE1 3.11Å; H137-Q308 VanDerWaalsContact CE1-OE1 3.29Å; H137-Q308 PolarHBondContact NE2-OE1 3.33Å
138	I	97.2	Very high	96.3	Very high	50 Å²	50	73.6 Å²	73.6	26%	0.256	37%	0.367	S	S	.	.	I	π-helix	trans	-60.9	-49.3	175.6	-69.3	167	0	0	0	110.8	F127 T134 Y135 K136 L142 N143 G144 L304	F127-I138 HydrophobicContact CE1-CD1 4.33Å; F127-I138 HydrophobicContact CZ-CD1 4.07Å; T134-I138 HydrophobicContact CG2-CD1 3.86Å; T134-I138 HydrophobicContact CG2-CG1 4.5Å; T134-I138 VanDerWaalsContact O-CG1 3.28Å; T134-I138 WeakPolarHBondContact O-CG1 3.4Å; T134-I138 PolarHBondContact O-N 3.04Å; Y135-I138 PolarHBondContact O-N 3.4Å; K136-I138 VanDerWaalsContact C-N 3.33Å; K136-I138 PolarHBondContact O-N 3Å; I138-L142 HydrophobicContact CG1-CD1 4.43Å; I138-L142 WeakPolarHBondContact O-CB 3.46Å; I138-N143 PolarHBondContact O-N 3.19Å; I138-G144 WeakPolarHBondContact O-CA 3.36Å; I138-G144 PolarHBondContact O-N 3.4Å; I138-L304 HydrophobicContact CD1-CD1 4.23Å; I138-L304 HydrophobicContact CG1-CD1 3.81Å
139	T	97.4	Very high	96.2	Very high	39 Å²	39	79 Å²	79	24%	0.239	39%	0.393	C	S	.	.	I	π-helix	trans	-81.9	-33.9	-171.7	55.5	0	0	0	0	114.1	Y135 K136 V146	Y135-T139 HydrophobicContact CD1-CG2 4.39Å; Y135-T139 HydrophobicContact CD2-CG2 4.48Å; Y135-T139 HydrophobicContact CE1-CG2 3.96Å; Y135-T139 HydrophobicContact CE2-CG2 4.07Å; Y135-T139 PolarHBondContact O-N 3.4Å; Y135-T139 PolarHBondContact O-OG1 3.31Å; Y135-T139 VanDerWaalsContact O-OG1 3.06Å; K136-T139 PolarHBondContact O-N 3.46Å; K136-T139 PolarHBondContact O-OG1 3.08Å; T139-V146 HydrophobicContact CG2-CG2 3.78Å
140	E	97.4	Very high	96.1	Very high	114 Å²	114	79.4 Å²	79.4	53%	0.533	40%	0.396	S	S	.	.	I	π-helix	trans	-101.7	-35.3	-171.9	-59.5	-179.3	-170.3	0	0	113.1	K136	K136-E140 WeakPolarHBondContact CE-OE2 3.45Å; K136-E140 VanDerWaalsContact CG-CD 3.45Å; K136-E140 HydrophobicContact CG-CG 4.16Å; K136-E140 WeakPolarHBondContact CG-OE2 3.35Å; K136-E140 VanDerWaalsContact O-CB 3.27Å; K136-E140 WeakPolarHBondContact O-CB 3.29Å; K136-E140 PolarHBondContact O-N 2.73Å
141	E	96.2	Very high	95.9	Very high	125 Å²	125	84.6 Å²	84.6	58%	0.584	42%	0.424	S	S	*	.	I	π-helix	trans	-98.7	-41.5	-176.2	-58.5	-69.3	159.7	0	0	111.9	H137	H137-E141 WeakPolarHBondContact ND1-CB 2.93Å; H137-E141 WeakPolarHBondContact O-CA 3.44Å; H137-E141 VanDerWaalsContact O-CB 3.31Å; H137-E141 WeakPolarHBondContact O-CB 3.13Å; H137-E141 PolarHBondContact O-N 2.8Å; H137-E141 VanDerWaalsContact O-N 3.08Å
142	L	95.7	Very high	95.6	Very high	71 Å²	71	89.3 Å²	89.3	37%	0.372	45%	0.452	S	S	.	.	S	Bend	trans	-87.4	-8.1	178.3	-69.7	170.1	0	0	0	113.3	H137 I138 G144 L304 Q308	H137-L142 PolarHBondContact O-N 3.45Å; I138-L142 HydrophobicContact CG1-CD1 4.43Å; I138-L142 WeakPolarHBondContact O-CB 3.46Å; L142-G144 PolarHBondContact O-N 2.86Å; L142-L304 HydrophobicContact CD1-CB 4.33Å; L142-L304 HydrophobicContact CD1-CD1 4.23Å; L142-L304 HydrophobicContact CD1-CD2 4.46Å; L142-Q308 HydrophobicContact CD2-CG 3.63Å
143	N	96.4	Very high	95.3	Very high	133 Å²	133	87.8 Å²	87.8	71%	0.711	45%	0.453	S	S	*	.			trans	50.3	36.7	-170.2	-65.2	-24.7	0	0	0	112.6	I138	I138-N143 PolarHBondContact O-N 3.19Å
144	G	96	Very high	95	Very high	29 Å²	29	84 Å²	84	30%	0.299	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-66.7	140.6	-179.4	0	0	0	0	0	112.1	I138 L142	I138-G144 WeakPolarHBondContact O-CA 3.36Å; I138-G144 PolarHBondContact O-N 3.4Å; L142-G144 PolarHBondContact O-N 2.86Å
145	T	96.6	Very high	94.5	Very high	120 Å²	120	91 Å²	91	74%	0.736	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-88.7	124.8	176.7	-60.4	0	0	0	0	110.5	L147	T145-L147 HydrophobicContact CG2-CD2 4.3Å
146	V	96	Very high	94.2	Very high	43 Å²	43	90.2 Å²	90.2	26%	0.261	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-84.6	120.5	171.8	-176.8	0	0	0	0	109.2	Y135 T139 E148	Y135-V146 HydrophobicContact CE2-CG2 3.93Å; T139-V146 HydrophobicContact CG2-CG2 3.78Å; V146-E148 VanDerWaalsContact C-N 3.34Å; V146-E148 HydrophobicContact CB-CG 4.49Å; V146-E148 HydrophobicContact CG1-CG 4.11Å; V146-E148 PolarHBondContact O-N 3.07Å
147	L	95	Very high	94	Very high	119 Å²	119	86.7 Å²	86.7	62%	0.623	48%	0.476	S	S	*	.			trans	-81.5	78	178.1	-55.9	-179.9	0	0	0	110.5	T145 M149 Y150	T145-L147 HydrophobicContact CG2-CD2 4.3Å; L147-M149 PolarHBondContact O-N 2.6Å; L147-Y150 WeakPolarHBondContact O-CB 3.46Å; L147-Y150 PolarHBondContact O-N 3.33Å
148	E	93.5	Very high	93.8	Very high	127 Å²	127	86.5 Å²	86.5	59%	0.593	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.7	-170.2	-58.9	-165.5	128.3	0	0	115	R124 V146	R124-E148 IonicContact CZ-OE1 3.77Å; R124-E148 IonicContact NH2-OE1 3.66Å; R124-E148 PolarHBondContact NH2-OE1 2.83Å; V146-E148 VanDerWaalsContact C-N 3.34Å; V146-E148 HydrophobicContact CB-CG 4.49Å; V146-E148 HydrophobicContact CG1-CG 4.11Å; V146-E148 PolarHBondContact O-N 3.07Å
149	M	92.4	Very high	93.7	Very high	174 Å²	174	84.7 Å²	84.7	86%	0.857	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-2	178.4	-62.4	-60	-142.4	0	0	113.3	L147 N151	L147-M149 PolarHBondContact O-N 2.6Å; M149-N151 PolarHBondContact O-N 2.77Å; M149-N151 PolarHBondContact O-ND2 3Å
150	Y	91.8	Very high	93.5	Very high	119 Å²	119	83.7 Å²	83.7	47%	0.467	46%	0.462	S	S	.	.			trans	-71.9	129.1	176.4	-178.3	-91.4	0	0	0	110.1	L147 I164	L147-Y150 WeakPolarHBondContact O-CB 3.46Å; L147-Y150 PolarHBondContact O-N 3.33Å; Y150-I164 WeakPolarHBondContact OH-CD1 3.1Å; Y150-I164 WeakPolarHBondContact OH-CG1 3.35Å
151	N	90.2	Very high	93.5	Very high	116 Å²	116	79.2 Å²	79.2	62%	0.62	44%	0.442	S	S	*	.			trans	-136.4	154.8	-178.1	-74.4	-80.1	0	0	0	110.4	M149	M149-N151 PolarHBondContact O-N 2.77Å; M149-N151 PolarHBondContact O-ND2 3Å
152	V	90.7	Very high	93.5	Very high	100 Å²	100	73.3 Å²	73.3	61%	0.606	41%	0.414	S	S	*	.			trans	-63.9	145.5	169.3	-61.1	0	0	0	0	109.8	A160	V152-A160 HydrophobicContact CB-CB 4.24Å; V152-A160 HydrophobicContact CG1-CB 3.8Å
153	V	90.1	Very high	93.5	Very high	93 Å²	93	71.4 Å²	71.4	56%	0.564	41%	0.407	S	S	*	.	S	Bend	trans	-105.6	7.1	-179.4	-54.7	0	0	0	0	113.1	P159 P163 T169	V153-P159 WeakPolarHBondContact CG2-O 3.32Å; V153-P163 HydrophobicContact CG2-CB 4.26Å; V153-P163 HydrophobicContact CG2-CG 3.29Å; V153-T169 HydrophobicContact CG2-CG2 4.42Å
154	G	90.3	Very high	93.4	Very high	30 Å²	30	68.3 Å²	68.3	31%	0.309	39%	0.389	S	S	.	.	S	Bend	trans	-170.9	179.7	174.6	0	0	0	0	0	112.2
155	D	88.3	Confident	93.5	Very high	148 Å²	148	67 Å²	67	79%	0.791	38%	0.375	S	S	*	.	S	Bend	trans	-89.9	120.1	-170.4	-172.4	20.8	0	0	0	113.4	P159	D155-P159 WeakPolarHBondContact O-CG 3.12Å
156	G	90.9	Very high	93.6	Very high	36 Å²	36	62.1 Å²	62.1	37%	0.371	35%	0.346	S	S	.	.	S	Bend	trans	86.5	-178.6	-178.2	0	0	0	0	0	114.8	P159 A160	G156-P159 WeakPolarHBondContact O-CD 3.33Å; G156-P159 WeakPolarHBondContact O-CG 2.89Å; G156-A160 PolarHBondContact O-N 3.29Å
157	T	93.4	Very high	93.6	Very high	23 Å²	23	63.2 Å²	63.2	14%	0.141	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-45.4	-170.4	-38.2	0	0	0	0	114.2	D120 A160 L161 T214 I281	D120-T157 VanDerWaalsContact CG-OG1 3.25Å; D120-T157 PolarHBondContact OD1-OG1 3.02Å; D120-T157 VanDerWaalsContact OD1-OG1 3.13Å; D120-T157 WeakPolarHBondContact OD2-CB 3.01Å; D120-T157 VanDerWaalsContact OD2-CG2 3.27Å; D120-T157 WeakPolarHBondContact OD2-CG2 3.34Å; D120-T157 PolarHBondContact OD2-OG1 2.84Å; T157-A160 PolarHBondContact O-N 2.81Å; T157-L161 HydrophobicContact CG2-CD1 3.61Å; T157-L161 HydrophobicContact CG2-CG 4.25Å; T157-L161 WeakPolarHBondContact O-CG 3.32Å; T157-L161 PolarHBondContact O-N 3.32Å; T157-T214 HydrophobicContact CG2-CG2 4.19Å; T157-I281 HydrophobicContact CG2-CD1 4.13Å
158	P	94.9	Very high	93.7	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.052	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-52.9	-179	-23.2	34	0	0	0	114.5	A160 L161 L162 T214	P158-A160 PolarHBondContact O-N 2.85Å; P158-L161 PolarHBondContact O-N 3.29Å; P158-L162 HydrophobicContact CB-CD1 4.42Å; P158-L162 WeakPolarHBondContact O-CB 3.44Å; P158-L162 VanDerWaalsContact O-CG 3.22Å; P158-L162 WeakPolarHBondContact O-CG 3.36Å; P158-L162 PolarHBondContact O-N 3.25Å; P158-T214 HydrophobicContact CB-CG2 4.42Å; P158-T214 HydrophobicContact CG-CG2 4.11Å; P158-T214 WeakPolarHBondContact CG-O 3.49Å
159	P	93.8	Very high	93.8	Very high	11 Å²	11	57.8 Å²	57.8	7%	0.071	34%	0.339	C	S	.	.	H	α-helix	trans	-70.5	-16.5	179.6	29.1	-36.4	0	0	0	113.5	V153 D155 G156 P163	V153-P159 WeakPolarHBondContact CG2-O 3.32Å; D155-P159 WeakPolarHBondContact O-CG 3.12Å; G156-P159 WeakPolarHBondContact O-CD 3.33Å; G156-P159 WeakPolarHBondContact O-CG 2.89Å; P159-P163 WeakPolarHBondContact O-CD 3.19Å; P159-P163 VanDerWaalsContact O-CG 3.29Å; P159-P163 WeakPolarHBondContact O-CG 3.35Å
160	A	94.2	Very high	93.8	Very high	18 Å²	18	51.7 Å²	51.7	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-74.8	-37.2	170.6	0	0	0	0	0	112.5	V152 G156 T157 P158	V152-A160 HydrophobicContact CB-CB 4.24Å; V152-A160 HydrophobicContact CG1-CB 3.8Å; G156-A160 PolarHBondContact O-N 3.29Å; T157-A160 PolarHBondContact O-N 2.81Å; P158-A160 PolarHBondContact O-N 2.85Å
161	L	96.1	Very high	93.9	Very high	21 Å²	21	52.6 Å²	52.6	11%	0.11	33%	0.326	C	S	.	.	H	α-helix	trans	-93.9	-33.4	-174.5	-66.3	173.9	0	0	0	114.2	T157 P158 I164 L165 T214 F279 I281	T157-L161 HydrophobicContact CG2-CD1 3.61Å; T157-L161 HydrophobicContact CG2-CG 4.25Å; T157-L161 WeakPolarHBondContact O-CG 3.32Å; T157-L161 PolarHBondContact O-N 3.32Å; P158-L161 PolarHBondContact O-N 3.29Å; L161-I164 HydrophobicContact CD2-CD1 4.36Å; L161-I164 WeakPolarHBondContact O-CB 3.38Å; L161-I164 PolarHBondContact O-N 3.06Å; L161-I164 VanDerWaalsContact O-N 3.12Å; L161-L165 HydrophobicContact CB-CD1 4.04Å; L161-L165 WeakPolarHBondContact O-CB 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.33Å; L161-L165 PolarHBondContact O-N 2.9Å; L161-T214 HydrophobicContact CD1-CG2 3.85Å; L161-F279 HydrophobicContact CD1-CE1 4.46Å; L161-F279 HydrophobicContact CD1-CZ 3.84Å; L161-F279 HydrophobicContact CD2-CE2 4.15Å; L161-F279 HydrophobicContact CD2-CZ 3.87Å; L161-F279 HydrophobicContact CG-CZ 4.39Å; L161-I281 HydrophobicContact CD1-CD1 3.54Å; L161-I281 HydrophobicContact CD2-CD1 4.26Å; L161-I281 HydrophobicContact CG-CD1 4.43Å
162	L	97.1	Very high	94.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-55.9	-44.1	-178.9	-75.2	170	0	0	0	113.1	P158 I164 L165 T166 K168 E170 L173 Y189 F191 Y215	P158-L162 HydrophobicContact CB-CD1 4.42Å; P158-L162 WeakPolarHBondContact O-CB 3.44Å; P158-L162 VanDerWaalsContact O-CG 3.22Å; P158-L162 WeakPolarHBondContact O-CG 3.36Å; P158-L162 PolarHBondContact O-N 3.25Å; L162-I164 VanDerWaalsContact C-N 3.32Å; L162-I164 PolarHBondContact O-N 2.88Å; L162-L165 PolarHBondContact O-N 2.97Å; L162-T166 HydrophobicContact CD2-CG2 4.12Å; L162-T166 WeakPolarHBondContact O-CA 3.27Å; L162-T166 VanDerWaalsContact O-CB 3.31Å; L162-T166 WeakPolarHBondContact O-CB 3.49Å; L162-T166 PolarHBondContact O-N 3.5Å; L162-T166 PolarHBondContact O-OG1 3.16Å; L162-K168 CarbonylContact C-O 3.51Å; L162-K168 VanDerWaalsContact C-O 3.26Å; L162-E170 HydrophobicContact CD1-CB 3.99Å; L162-E170 HydrophobicContact CD1-CG 4.11Å; L162-L173 HydrophobicContact CB-CD1 4.21Å; L162-L173 HydrophobicContact CD1-CD1 4Å; L162-L173 HydrophobicContact CD2-CD1 3.84Å; L162-L173 HydrophobicContact CG-CD1 4.24Å; L162-Y189 HydrophobicContact CD1-CE2 4.17Å; L162-Y189 HydrophobicContact CD2-CD2 3.53Å; L162-Y189 HydrophobicContact CD2-CE2 3.65Å; L162-F191 HydrophobicContact CD2-CE1 3.92Å; L162-F191 HydrophobicContact CD2-CZ 4.27Å; L162-Y215 HydrophobicContact CD2-CE1 3.7Å; L162-Y215 HydrophobicContact CG-CE1 4.09Å
163	P	96.4	Very high	94.5	Very high	32 Å²	32	48.3 Å²	48.3	21%	0.208	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-39	176.7	-18.2	27.1	0	0	0	112.8	V153 P159 L165 G167 K168	V153-P163 HydrophobicContact CG2-CB 4.26Å; V153-P163 HydrophobicContact CG2-CG 3.29Å; P159-P163 WeakPolarHBondContact O-CD 3.19Å; P159-P163 VanDerWaalsContact O-CG 3.29Å; P159-P163 WeakPolarHBondContact O-CG 3.35Å; P163-L165 VanDerWaalsContact C-N 3.34Å; P163-G167 WeakPolarHBondContact O-CA 3.38Å; P163-G167 PolarHBondContact O-N 3.43Å; P163-K168 VanDerWaalsContact CA-O 3.3Å; P163-K168 WeakPolarHBondContact CA-O 3.28Å
164	I	94.6	Very high	94.8	Very high	68 Å²	68	46.8 Å²	46.8	35%	0.349	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-43	177.8	-53.4	173.9	0	0	0	110.2	F116 Y150 L161 L162	F116-I164 HydrophobicContact CD1-CG2 4.49Å; F116-I164 HydrophobicContact CE1-CG2 3.79Å; F116-I164 HydrophobicContact CZ-CG2 4.21Å; Y150-I164 WeakPolarHBondContact OH-CD1 3.1Å; Y150-I164 WeakPolarHBondContact OH-CG1 3.35Å; L161-I164 HydrophobicContact CD2-CD1 4.36Å; L161-I164 WeakPolarHBondContact O-CB 3.38Å; L161-I164 PolarHBondContact O-N 3.06Å; L161-I164 VanDerWaalsContact O-N 3.12Å; L162-I164 VanDerWaalsContact C-N 3.32Å; L162-I164 PolarHBondContact O-N 2.88Å
165	L	97.7	Very high	95.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-92.6	-15	-169.7	-63.3	168.6	0	0	0	113.6	L161 L162 P163 F191 I192 W193 Y215 F277 F279	L161-L165 HydrophobicContact CB-CD1 4.04Å; L161-L165 WeakPolarHBondContact O-CB 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.33Å; L161-L165 PolarHBondContact O-N 2.9Å; L162-L165 PolarHBondContact O-N 2.97Å; P163-L165 VanDerWaalsContact C-N 3.34Å; L165-F191 HydrophobicContact CB-CD1 3.98Å; L165-F191 HydrophobicContact CB-CE1 4.48Å; L165-F191 CarbonylContact O-C 3.14Å; L165-F191 VanDerWaalsContact O-CA 3.3Å; L165-F191 WeakPolarHBondContact O-CA 3.34Å; L165-I192 HydrophobicContact CD2-CG2 4.19Å; L165-I192 PolarHBondContact O-N 2.82Å; L165-W193 HydrophobicContact CB-CZ3 4.3Å; L165-W193 HydrophobicContact CD1-CH2 4.4Å; L165-W193 HydrophobicContact CD1-CZ3 3.88Å; L165-W193 HydrophobicContact CD2-CE3 4.38Å; L165-W193 HydrophobicContact CD2-CZ3 3.99Å; L165-W193 HydrophobicContact CG-CZ3 4.28Å; L165-Y215 WeakPolarHBondContact CD1-OH 3.31Å; L165-F277 HydrophobicContact CD2-CZ 4.4Å; L165-F279 HydrophobicContact CD1-CD1 4.27Å; L165-F279 HydrophobicContact CD1-CD2 4.47Å; L165-F279 HydrophobicContact CD1-CE1 3.9Å; L165-F279 HydrophobicContact CD1-CE2 4.14Å; L165-F279 HydrophobicContact CD1-CZ 3.87Å; L165-F279 HydrophobicContact CD2-CD2 3.94Å; L165-F279 HydrophobicContact CD2-CE2 4.23Å; L165-F279 HydrophobicContact CD2-CG 4.26Å
166	T	97.8	Very high	95.6	Very high	18 Å²	18	41.9 Å²	41.9	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-132.6	-11.6	-175.2	73.5	0	0	0	0	113.8	L162 K168 L173 F191	L162-T166 HydrophobicContact CD2-CG2 4.12Å; L162-T166 WeakPolarHBondContact O-CA 3.27Å; L162-T166 VanDerWaalsContact O-CB 3.31Å; L162-T166 WeakPolarHBondContact O-CB 3.49Å; L162-T166 PolarHBondContact O-N 3.5Å; L162-T166 PolarHBondContact O-OG1 3.16Å; T166-K168 PolarHBondContact O-N 2.59Å; T166-K168 PolarHBondContact OG1-N 3.37Å; T166-K168 VanDerWaalsContact OG1-N 3.14Å; T166-K168 PolarHBondContact OG1-O 3.12Å; T166-L173 HydrophobicContact CG2-CD1 4.49Å; T166-F191 HydrophobicContact CG2-CD1 3.53Å; T166-F191 HydrophobicContact CG2-CE1 3.88Å; T166-F191 HydrophobicContact CG2-CG 4.18Å
167	G	97	Very high	96	Very high	65 Å²	65	44.8 Å²	44.8	67%	0.67	25%	0.252	S	S	*	.	S	Bend	trans	68.9	12.9	-170.1	0	0	0	0	0	114	P163	P163-G167 WeakPolarHBondContact O-CA 3.38Å; P163-G167 PolarHBondContact O-N 3.43Å
168	K	97.2	Very high	96.1	Very high	85 Å²	85	48.5 Å²	48.5	37%	0.37	27%	0.266	S	S	.	.	S	Bend	trans	-134	146.1	-175.5	-64.7	-175.3	174.4	-65.1	0	112	L162 P163 T166 E172 L173 P190	L162-K168 CarbonylContact C-O 3.51Å; L162-K168 VanDerWaalsContact C-O 3.26Å; P163-K168 VanDerWaalsContact CA-O 3.3Å; P163-K168 WeakPolarHBondContact CA-O 3.28Å; T166-K168 PolarHBondContact O-N 2.59Å; T166-K168 PolarHBondContact OG1-N 3.37Å; T166-K168 VanDerWaalsContact OG1-N 3.14Å; T166-K168 PolarHBondContact OG1-O 3.12Å; K168-E172 HydrophobicContact CB-CB 4.16Å; K168-L173 HydrophobicContact CB-CD1 4.34Å; K168-L173 HydrophobicContact CB-CD2 3.92Å; K168-L173 HydrophobicContact CB-CG 3.9Å; K168-L173 HydrophobicContact CD-CD2 3.74Å; K168-L173 HydrophobicContact CD-CG 4.44Å; K168-L173 HydrophobicContact CG-CD2 4.42Å; K168-P190 HydrophobicContact CD-CG 4.29Å
169	T	95.4	Very high	96.2	Very high	47 Å²	47	52.6 Å²	52.6	29%	0.288	30%	0.295	S	S	.	.			trans	-74.5	162.1	168.4	63.3	0	0	0	0	111	V153 V171 E172 L173	V153-T169 HydrophobicContact CG2-CG2 4.42Å; T169-V171 PolarHBondContact O-N 3.49Å; T169-V171 WeakPolarHBondContact OG1-CG2 3.34Å; T169-E172 WeakPolarHBondContact CB-OE2 3.42Å; T169-E172 PolarHBondContact N-OE2 3.39Å; T169-E172 PolarHBondContact O-N 3.23Å; T169-E172 VanDerWaalsContact O-N 3.11Å; T169-E172 WeakPolarHBondContact OG1-CG 3.37Å; T169-E172 PolarHBondContact OG1-OE2 3.14Å; T169-L173 WeakPolarHBondContact O-CG 3.32Å; T169-L173 PolarHBondContact O-N 3.06Å
170	E	92.1	Very high	96.4	Very high	46 Å²	46	55.4 Å²	55.4	22%	0.215	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57.7	-34.3	179.5	-170	175.6	171.6	0	0	112.5	L162 E172 L173	L162-E170 HydrophobicContact CD1-CB 3.99Å; L162-E170 HydrophobicContact CD1-CG 4.11Å; E170-E172 VanDerWaalsContact C-N 3.32Å; E170-E172 PolarHBondContact O-N 3.17Å; E170-L173 PolarHBondContact O-N 3.37Å
171	V	93.4	Very high	96.3	Very high	138 Å²	138	59.8 Å²	59.8	84%	0.836	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-75.2	-18.9	-179.6	-59.7	0	0	0	0	113.9	T169	T169-V171 PolarHBondContact O-N 3.49Å; T169-V171 WeakPolarHBondContact OG1-CG2 3.34Å
172	E	96.7	Very high	96.2	Very high	112 Å²	112	66.4 Å²	66.4	52%	0.523	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-88.5	-10.1	176.3	-68.9	170.4	106.1	0	0	112.5	K168 T169 E170	K168-E172 HydrophobicContact CB-CB 4.16Å; T169-E172 WeakPolarHBondContact CB-OE2 3.42Å; T169-E172 PolarHBondContact N-OE2 3.39Å; T169-E172 PolarHBondContact O-N 3.23Å; T169-E172 VanDerWaalsContact O-N 3.11Å; T169-E172 WeakPolarHBondContact OG1-CG 3.37Å; T169-E172 PolarHBondContact OG1-OE2 3.14Å; E170-E172 VanDerWaalsContact C-N 3.32Å; E170-E172 PolarHBondContact O-N 3.17Å
173	L	97.1	Very high	96.2	Very high	15 Å²	15	66.9 Å²	66.9	8%	0.079	37%	0.373	C	S	.	.	S	Bend	trans	-96.6	155.5	-178.8	-69	168.5	0	0	0	110.8	L162 T166 K168 T169 E170 Y189 P190	L162-L173 HydrophobicContact CB-CD1 4.21Å; L162-L173 HydrophobicContact CD1-CD1 4Å; L162-L173 HydrophobicContact CD2-CD1 3.84Å; L162-L173 HydrophobicContact CG-CD1 4.24Å; T166-L173 HydrophobicContact CG2-CD1 4.49Å; K168-L173 HydrophobicContact CB-CD1 4.34Å; K168-L173 HydrophobicContact CB-CD2 3.92Å; K168-L173 HydrophobicContact CB-CG 3.9Å; K168-L173 HydrophobicContact CD-CD2 3.74Å; K168-L173 HydrophobicContact CD-CG 4.44Å; K168-L173 HydrophobicContact CG-CD2 4.42Å; T169-L173 WeakPolarHBondContact O-CG 3.32Å; T169-L173 PolarHBondContact O-N 3.06Å; E170-L173 PolarHBondContact O-N 3.37Å; L173-Y189 HydrophobicContact CB-CD1 3.93Å; L173-Y189 HydrophobicContact CB-CE1 3.57Å; L173-Y189 HydrophobicContact CD1-CD1 4.23Å; L173-Y189 HydrophobicContact CD1-CD2 4.02Å; L173-Y189 HydrophobicContact CD1-CE1 4.26Å; L173-Y189 HydrophobicContact CD1-CE2 4.06Å; L173-Y189 HydrophobicContact CD1-CG 4.12Å; L173-Y189 HydrophobicContact CD2-CD1 4.02Å; L173-Y189 HydrophobicContact CD2-CG 4.25Å; L173-Y189 HydrophobicContact CG-CD1 4.29Å; L173-Y189 HydrophobicContact CG-CE1 4.34Å; L173-P190 VanDerWaalsContact CD2-CD 3.47Å; L173-P190 HydrophobicContact CD2-CG 4.22Å
174	P	97.3	Very high	96.3	Very high	61 Å²	61	67.8 Å²	67.8	40%	0.396	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-57.9	151	176.4	-23.5	34	0	0	0	112.1	T176 V188 Y189	P174-T176 PolarHBondContact O-N 3.06Å; P174-V188 HydrophobicContact CB-CB 4.48Å; P174-V188 HydrophobicContact CB-CG2 3.71Å; P174-V188 HydrophobicContact CG-CB 4.22Å; P174-V188 HydrophobicContact CG-CG2 3.8Å; P174-Y189 WeakPolarHBondContact O-CE1 3.46Å; P174-Y189 PolarHBondContact O-OH 2.8Å
175	E	97.6	Very high	96.5	Very high	73 Å²	73	68.7 Å²	68.7	34%	0.341	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-64.9	122.6	179.4	178.6	58.5	-101.9	0	0	111.8	R177 Q180 A183 S184	E175-R177 WeakPolarHBondContact OE1-CB 3.25Å; E175-R177 WeakPolarHBondContact OE1-CG 3.35Å; E175-R177 IonicContact OE1-CZ 3.79Å; E175-R177 PolarHBondContact OE1-N 2.8Å; E175-R177 IonicContact OE1-NE 2.76Å; E175-R177 PolarHBondContact OE1-NE 3.29Å; E175-R177 IonicContact OE2-CZ 3.9Å; E175-R177 VanDerWaalsContact OE2-CZ 3.26Å; E175-R177 IonicContact OE2-NE 3.26Å; E175-R177 PolarHBondContact OE2-NE 2.95Å; E175-R177 IonicContact OE2-NH2 2.94Å; E175-R177 PolarHBondContact OE2-NH2 3.16Å; E175-Q180 HydrophobicContact CG-CB 3.72Å; E175-Q180 HydrophobicContact CG-CG 3.86Å; E175-A183 HydrophobicContact CG-CB 4.13Å; E175-A183 CarbonylContact O-C 3.44Å; E175-A183 VanDerWaalsContact O-CA 3.23Å; E175-A183 WeakPolarHBondContact O-CA 3.49Å; E175-S184 PolarHBondContact O-N 3.33Å
176	T	97.8	Very high	96.5	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.006	38%	0.382	C	S	.	.			trans	-130	8.5	178.5	70.1	0	0	0	0	114.1	P174 S184 V186 V188 Y189 L219 K220	P174-T176 PolarHBondContact O-N 3.06Å; T176-S184 VanDerWaalsContact CA-O 3.29Å; T176-S184 WeakPolarHBondContact CA-O 3.35Å; T176-S184 VanDerWaalsContact CB-O 3.27Å; T176-S184 WeakPolarHBondContact CB-O 3.18Å; T176-S184 WeakPolarHBondContact CG2-O 3.14Å; T176-V186 HydrophobicContact CG2-CG2 4.3Å; T176-V188 HydrophobicContact CG2-CG2 3.91Å; T176-Y189 HydrophobicContact CG2-CD1 4.37Å; T176-Y189 HydrophobicContact CG2-CE1 3.48Å; T176-Y189 VanDerWaalsContact CG2-CE1 3.48Å; T176-Y189 PolarHBondContact OG1-OH 2.81Å; T176-L219 CarbonylContact O-C 3.49Å; T176-L219 VanDerWaalsContact O-CA 3.29Å; T176-L219 WeakPolarHBondContact O-CA 3.11Å; T176-K220 PolarHBondContact O-N 2.71Å
177	R	97.4	Very high	96.5	Very high	98 Å²	98	69.9 Å²	69.9	37%	0.37	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-68.7	138.2	179.5	-65	174.5	-64	169.5	-1.1	111	E175 S179 Q180 A183 R218 L219	E175-R177 WeakPolarHBondContact OE1-CB 3.25Å; E175-R177 WeakPolarHBondContact OE1-CG 3.35Å; E175-R177 IonicContact OE1-CZ 3.79Å; E175-R177 PolarHBondContact OE1-N 2.8Å; E175-R177 IonicContact OE1-NE 2.76Å; E175-R177 PolarHBondContact OE1-NE 3.29Å; E175-R177 IonicContact OE2-CZ 3.9Å; E175-R177 VanDerWaalsContact OE2-CZ 3.26Å; E175-R177 IonicContact OE2-NE 3.26Å; E175-R177 PolarHBondContact OE2-NE 2.95Å; E175-R177 IonicContact OE2-NH2 2.94Å; E175-R177 PolarHBondContact OE2-NH2 3.16Å; R177-S179 PolarHBondContact O-N 3.29Å; R177-Q180 HydrophobicContact CB-CG 4.05Å; R177-Q180 PolarHBondContact O-N 2.95Å; R177-Q180 VanDerWaalsContact O-N 3.11Å; R177-A183 WeakPolarHBondContact O-CB 3.48Å; R177-R218 WeakPolarHBondContact CA-O 3.36Å; R177-L219 HydrophobicContact CB-CD2 4.35Å; R177-L219 HydrophobicContact CG-CD2 3.6Å
178	K	96.7	Very high	96.6	Very high	101 Å²	101	70 Å²	70	44%	0.439	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.8	178.6	-65.7	-179.9	-175.2	170.3	0	113.2	Q180 T216 Y217 R218 L219 K220	K178-Q180 PolarHBondContact O-N 3.33Å; K178-T216 WeakPolarHBondContact CE-O 3.32Å; K178-T216 PolarHBondContact NZ-O 3.48Å; K178-Y217 WeakPolarHBondContact CE-O 3.48Å; K178-Y217 PolarHBondContact NZ-O 3.18Å; K178-R218 PolarHBondContact N-O 2.74Å; K178-L219 WeakPolarHBondContact CE-O 3.44Å; K178-K220 HydrophobicContact CG-CG 4.3Å
179	S	96.7	Very high	96.6	Very high	93 Å²	93	66 Å²	66	65%	0.65	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-8.2	-179.6	54.8	0	0	0	0	113.8	R177	R177-S179 PolarHBondContact O-N 3.29Å
180	Q	97.1	Very high	96.7	Very high	70 Å²	70	67 Å²	67	33%	0.327	37%	0.365	S	S	.	.	S	Bend	trans	-103	121.7	-176.3	-61.3	-63.5	-25.3	0	0	110.3	E175 R177 K178 N182 A183	E175-Q180 HydrophobicContact CG-CB 3.72Å; E175-Q180 HydrophobicContact CG-CG 3.86Å; R177-Q180 HydrophobicContact CB-CG 4.05Å; R177-Q180 PolarHBondContact O-N 2.95Å; R177-Q180 VanDerWaalsContact O-N 3.11Å; K178-Q180 PolarHBondContact O-N 3.33Å; Q180-N182 VanDerWaalsContact C-N 3.34Å; Q180-N182 PolarHBondContact O-N 2.78Å; Q180-A183 HydrophobicContact CB-CB 4.05Å; Q180-A183 WeakPolarHBondContact O-CB 3.38Å; Q180-A183 PolarHBondContact O-N 2.92Å
181	P	93.3	Very high	97.1	Very high	111 Å²	111	64.9 Å²	64.9	72%	0.721	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-43.2	-172.4	-28.6	34.5	0	0	0	114.3
182	N	94.4	Very high	97.3	Very high	160 Å²	160	60.8 Å²	60.8	86%	0.856	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	20.6	-175.2	-63.2	-26.3	0	0	0	113.4	Q180	Q180-N182 VanDerWaalsContact C-N 3.34Å; Q180-N182 PolarHBondContact O-N 2.78Å
183	A	97.4	Very high	97.3	Very high	10 Å²	10	55.5 Å²	55.5	8%	0.083	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-63.6	145.3	176.9	0	0	0	0	0	112.3	E175 R177 Q180 K220	E175-A183 HydrophobicContact CG-CB 4.13Å; E175-A183 CarbonylContact O-C 3.44Å; E175-A183 VanDerWaalsContact O-CA 3.23Å; E175-A183 WeakPolarHBondContact O-CA 3.49Å; R177-A183 WeakPolarHBondContact O-CB 3.48Å; Q180-A183 HydrophobicContact CB-CB 4.05Å; Q180-A183 WeakPolarHBondContact O-CB 3.38Å; Q180-A183 PolarHBondContact O-N 2.92Å; A183-K220 HydrophobicContact CB-CD 3.96Å; A183-K220 PolarHBondContact O-NZ 2.82Å
184	S	97.9	Very high	97.3	Very high	50 Å²	50	58.3 Å²	58.3	35%	0.35	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-85.2	167	170.2	-64.9	0	0	0	0	111.5	E175 T176 K220	E175-S184 PolarHBondContact O-N 3.33Å; T176-S184 VanDerWaalsContact CA-O 3.29Å; T176-S184 WeakPolarHBondContact CA-O 3.35Å; T176-S184 VanDerWaalsContact CB-O 3.27Å; T176-S184 WeakPolarHBondContact CB-O 3.18Å; T176-S184 WeakPolarHBondContact CG2-O 3.14Å; S184-K220 WeakPolarHBondContact O-CD 3.45Å
185	F	98.2	Very high	97.1	Very high	87 Å²	87	59.7 Å²	59.7	38%	0.382	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-71.6	159.7	161.6	-67.8	-90.5	0	0	0	110.2	D187 V188 K220 K223	F185-D187 WeakPolarHBondContact CB-OD2 3.36Å; F185-D187 PolarHBondContact O-N 2.91Å; F185-D187 VanDerWaalsContact O-N 3.08Å; F185-V188 WeakPolarHBondContact O-CG2 3.43Å; F185-V188 PolarHBondContact O-N 3.5Å; F185-K220 HydrophobicContact CD1-CB 4Å; F185-K220 WeakPolarHBondContact CD1-O 3.49Å; F185-K220 HydrophobicContact CE1-CB 4.44Å; F185-K220 HydrophobicContact CG-CB 4.48Å; F185-K223 HydrophobicContact CB-CB 4.05Å; F185-K223 HydrophobicContact CD1-CB 4.02Å; F185-K223 HydrophobicContact CD2-CB 3.95Å; F185-K223 HydrophobicContact CD2-CD 4.09Å; F185-K223 HydrophobicContact CD2-CG 4.38Å; F185-K223 HydrophobicContact CE1-CB 4.44Å; F185-K223 HydrophobicContact CE2-CB 4.38Å; F185-K223 HydrophobicContact CE2-CD 4.12Å; F185-K223 HydrophobicContact CE2-CG 4.41Å; F185-K223 HydrophobicContact CG-CB 3.76Å
186	V	97.8	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-66.8	-10.4	-175.4	176.1	0	0	0	0	112.4	T176 V188 Y189 F191 Y215 L219 G221 F222	T176-V186 HydrophobicContact CG2-CG2 4.3Å; V186-V188 PolarHBondContact O-N 3.42Å; V186-Y189 HydrophobicContact CG1-CD2 3.6Å; V186-Y189 HydrophobicContact CG1-CE2 3.87Å; V186-Y189 HydrophobicContact CG1-CG 4.23Å; V186-Y189 WeakPolarHBondContact O-CB 3.41Å; V186-Y189 PolarHBondContact O-N 3.24Å; V186-F191 HydrophobicContact CG1-CE2 3.57Å; V186-F191 HydrophobicContact CG1-CZ 3.57Å; V186-Y215 HydrophobicContact CG1-CD1 4.31Å; V186-Y215 HydrophobicContact CG1-CG 4.28Å; V186-L219 HydrophobicContact CG2-CB 3.83Å; V186-L219 HydrophobicContact CG2-CD1 4.09Å; V186-G221 WeakPolarHBondContact CB-O 3.34Å; V186-G221 PolarHBondContact N-O 3.32Å; V186-F222 HydrophobicContact CB-CD1 4.35Å; V186-F222 HydrophobicContact CB-CE1 4.23Å; V186-F222 HydrophobicContact CB-CZ 4.5Å; V186-F222 HydrophobicContact CG1-CD1 4.37Å; V186-F222 HydrophobicContact CG1-CE1 3.76Å; V186-F222 HydrophobicContact CG1-CE2 4.48Å; V186-F222 HydrophobicContact CG1-CZ 3.81Å
187	D	98.2	Very high	96.6	Very high	44 Å²	44	60.1 Å²	60.1	24%	0.235	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-53.3	-19.8	169.9	-51.7	-113.7	0	0	0	114.1	F185 Y189 K194 F222 K223 E224	F185-D187 WeakPolarHBondContact CB-OD2 3.36Å; F185-D187 PolarHBondContact O-N 2.91Å; F185-D187 VanDerWaalsContact O-N 3.08Å; D187-Y189 VanDerWaalsContact C-N 3.29Å; D187-Y189 PolarHBondContact O-N 2.89Å; D187-K194 PolarHBondContact O-NZ 2.97Å; D187-F222 WeakPolarHBondContact OD2-CA 3.48Å; D187-K223 PolarHBondContact OD1-N 3.28Å; D187-K223 PolarHBondContact OD2-N 3.24Å; D187-E224 PolarHBondContact OD1-N 2.93Å
188	V	98	Very high	96.3	Very high	67 Å²	67	64 Å²	64	41%	0.406	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-76.3	-14.4	176.8	-61.1	0	0	0	0	113.6	P174 T176 F185 V186	P174-V188 HydrophobicContact CB-CB 4.48Å; P174-V188 HydrophobicContact CB-CG2 3.71Å; P174-V188 HydrophobicContact CG-CB 4.22Å; P174-V188 HydrophobicContact CG-CG2 3.8Å; T176-V188 HydrophobicContact CG2-CG2 3.91Å; F185-V188 WeakPolarHBondContact O-CG2 3.43Å; F185-V188 PolarHBondContact O-N 3.5Å; V186-V188 PolarHBondContact O-N 3.42Å
189	Y	98.4	Very high	95.9	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.012	32%	0.32	C	S	.	.	S	Bend	trans	-75.7	141.8	-177.3	-66.4	-3.4	0	0	0	112.1	L162 L173 P174 T176 V186 D187 F191 K194 L219	L162-Y189 HydrophobicContact CD1-CE2 4.17Å; L162-Y189 HydrophobicContact CD2-CD2 3.53Å; L162-Y189 HydrophobicContact CD2-CE2 3.65Å; L173-Y189 HydrophobicContact CB-CD1 3.93Å; L173-Y189 HydrophobicContact CB-CE1 3.57Å; L173-Y189 HydrophobicContact CD1-CD1 4.23Å; L173-Y189 HydrophobicContact CD1-CD2 4.02Å; L173-Y189 HydrophobicContact CD1-CE1 4.26Å; L173-Y189 HydrophobicContact CD1-CE2 4.06Å; L173-Y189 HydrophobicContact CD1-CG 4.12Å; L173-Y189 HydrophobicContact CD2-CD1 4.02Å; L173-Y189 HydrophobicContact CD2-CG 4.25Å; L173-Y189 HydrophobicContact CG-CD1 4.29Å; L173-Y189 HydrophobicContact CG-CE1 4.34Å; P174-Y189 WeakPolarHBondContact O-CE1 3.46Å; P174-Y189 PolarHBondContact O-OH 2.8Å; T176-Y189 HydrophobicContact CG2-CD1 4.37Å; T176-Y189 HydrophobicContact CG2-CE1 3.48Å; T176-Y189 VanDerWaalsContact CG2-CE1 3.48Å; T176-Y189 PolarHBondContact OG1-OH 2.81Å; V186-Y189 HydrophobicContact CG1-CD2 3.6Å; V186-Y189 HydrophobicContact CG1-CE2 3.87Å; V186-Y189 HydrophobicContact CG1-CG 4.23Å; V186-Y189 WeakPolarHBondContact O-CB 3.41Å; V186-Y189 PolarHBondContact O-N 3.24Å; D187-Y189 VanDerWaalsContact C-N 3.29Å; D187-Y189 PolarHBondContact O-N 2.89Å; Y189-F191 VanDerWaalsContact CB-CE2 3.46Å; Y189-F191 HydrophobicContact CD2-CE1 4.28Å; Y189-F191 AromaticContact CD2-CE2 3.96Å; Y189-F191 HydrophobicContact CD2-CE2 3.96Å; Y189-F191 AromaticContact CD2-CZ 3.59Å; Y189-F191 HydrophobicContact CD2-CZ 3.59Å; Y189-F191 HydrophobicContact CG-CE2 4.15Å; Y189-F191 HydrophobicContact CG-CZ 4.21Å; Y189-F191 PolarHBondContact O-N 3.08Å; Y189-K194 PolarHBondContact O-NZ 2.96Å; Y189-L219 HydrophobicContact CE2-CD1 4.45Å
190	P	98	Very high	95.6	Very high	66 Å²	66	57.2 Å²	57.2	43%	0.429	29%	0.293	S	S	.	.			trans	-83.5	60	-179.2	36	-34.6	0	0	0	110.8	K168 L173	K168-P190 HydrophobicContact CD-CG 4.29Å; L173-P190 VanDerWaalsContact CD2-CD 3.47Å; L173-P190 HydrophobicContact CD2-CG 4.22Å
191	F	98.6	Very high	95.4	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	28%	0.278	C	S	.	.			trans	-62.4	139.5	180	-66.3	-73.6	0	0	0	112.5	L162 L165 T166 V186 Y189 W193 K194 Y215 F222	L162-F191 HydrophobicContact CD2-CE1 3.92Å; L162-F191 HydrophobicContact CD2-CZ 4.27Å; L165-F191 HydrophobicContact CB-CD1 3.98Å; L165-F191 HydrophobicContact CB-CE1 4.48Å; L165-F191 CarbonylContact O-C 3.14Å; L165-F191 VanDerWaalsContact O-CA 3.3Å; L165-F191 WeakPolarHBondContact O-CA 3.34Å; T166-F191 HydrophobicContact CG2-CD1 3.53Å; T166-F191 HydrophobicContact CG2-CE1 3.88Å; T166-F191 HydrophobicContact CG2-CG 4.18Å; V186-F191 HydrophobicContact CG1-CE2 3.57Å; V186-F191 HydrophobicContact CG1-CZ 3.57Å; Y189-F191 VanDerWaalsContact CB-CE2 3.46Å; Y189-F191 HydrophobicContact CD2-CE1 4.28Å; Y189-F191 AromaticContact CD2-CE2 3.96Å; Y189-F191 HydrophobicContact CD2-CE2 3.96Å; Y189-F191 AromaticContact CD2-CZ 3.59Å; Y189-F191 HydrophobicContact CD2-CZ 3.59Å; Y189-F191 HydrophobicContact CG-CE2 4.15Å; Y189-F191 HydrophobicContact CG-CZ 4.21Å; Y189-F191 PolarHBondContact O-N 3.08Å; F191-W193 HydrophobicContact CB-CD2 3.51Å; F191-W193 HydrophobicContact CB-CE3 3.91Å; F191-W193 HydrophobicContact CB-CG 4.12Å; F191-W193 HydrophobicContact CB-CH2 3.87Å; F191-W193 HydrophobicContact CB-CZ2 3.45Å; F191-W193 VanDerWaalsContact CB-CZ2 3.45Å; F191-W193 HydrophobicContact CB-CZ3 4.08Å; F191-W193 HydrophobicContact CD1-CE3 4.36Å; F191-W193 AromaticContact CD1-CH2 3.14Å; F191-W193 HydrophobicContact CD1-CH2 3.14Å; F191-W193 AromaticContact CD1-CZ2 3.42Å; F191-W193 HydrophobicContact CD1-CZ2 3.42Å; F191-W193 VanDerWaalsContact CD1-CZ2 3.42Å; F191-W193 AromaticContact CD1-CZ3 3.68Å; F191-W193 HydrophobicContact CD1-CZ3 3.68Å; F191-W193 AromaticContact CD2-CE2 3.82Å; F191-W193 AromaticContact CD2-CH2 3.95Å; F191-W193 HydrophobicContact CD2-CH2 3.95Å; F191-W193 AromaticContact CD2-CZ2 3.29Å; F191-W193 HydrophobicContact CD2-CZ2 3.29Å; F191-W193 AromaticContact CE1-CH2 3.44Å; F191-W193 HydrophobicContact CE1-CH2 3.44Å; F191-W193 VanDerWaalsContact CE1-CH2 3.44Å; F191-W193 AromaticContact CE1-CZ2 3.84Å; F191-W193 HydrophobicContact CE1-CZ2 3.84Å; F191-W193 HydrophobicContact CE1-CZ3 4.26Å; F191-W193 HydrophobicContact CE2-CH2 4.19Å; F191-W193 AromaticContact CE2-CZ2 3.73Å; F191-W193 HydrophobicContact CE2-CZ2 3.73Å; F191-W193 HydrophobicContact CG-CD2 4.15Å; F191-W193 AromaticContact CG-CE2 3.51Å; F191-W193 HydrophobicContact CG-CE3 4.36Å; F191-W193 AromaticContact CG-CH2 3.4Å; F191-W193 HydrophobicContact CG-CH2 3.4Å; F191-W193 VanDerWaalsContact CG-CH2 3.4Å; F191-W193 AromaticContact CG-CZ2 3.1Å; F191-W193 HydrophobicContact CG-CZ2 3.1Å; F191-W193 HydrophobicContact CG-CZ3 4.04Å; F191-W193 AromaticContact CZ-CH2 3.94Å; F191-W193 HydrophobicContact CZ-CH2 3.94Å; F191-W193 AromaticContact CZ-CZ2 3.96Å; F191-W193 HydrophobicContact CZ-CZ2 3.96Å; F191-W193 PolarHBondContact O-N 3.42Å; F191-K194 HydrophobicContact CB-CG 4.48Å; F191-K194 VanDerWaalsContact O-CB 3.28Å; F191-K194 WeakPolarHBondContact O-CB 3.38Å; F191-K194 PolarHBondContact O-N 3.46Å; F191-Y215 HydrophobicContact CE1-CE1 4.26Å; F191-Y215 HydrophobicContact CE1-CE2 4.29Å; F191-Y215 AromaticContact CE1-CZ 3.89Å; F191-Y215 HydrophobicContact CZ-CE1 4.23Å; F191-Y215 HydrophobicContact CZ-CE2 4.34Å; F191-F222 HydrophobicContact CD2-CE1 4.21Å; F191-F222 AromaticContact CE2-CE1 3.56Å; F191-F222 HydrophobicContact CE2-CE1 3.56Å; F191-F222 AromaticContact CE2-CZ 3.8Å; F191-F222 HydrophobicContact CE2-CZ 3.8Å; F191-F222 HydrophobicContact CZ-CE1 4.24Å; F191-F222 HydrophobicContact CZ-CZ 4.01Å
192	I	97.9	Very high	95.5	Very high	53 Å²	53	49 Å²	49	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-57.5	-32.8	-177.6	-171.6	58.9	0	0	0	112.7	L165 K194 E195 L196 F277	L165-I192 HydrophobicContact CD2-CG2 4.19Å; L165-I192 PolarHBondContact O-N 2.82Å; I192-K194 PolarHBondContact O-N 3.18Å; I192-E195 PolarHBondContact O-N 3.45Å; I192-E195 VanDerWaalsContact O-N 3.11Å; I192-L196 HydrophobicContact CD1-CG 4.49Å; I192-L196 HydrophobicContact CG1-CD1 3.94Å; I192-L196 HydrophobicContact CG1-CG 4.2Å; I192-L196 WeakPolarHBondContact O-CG 3.2Å; I192-L196 PolarHBondContact O-N 2.97Å; I192-F277 HydrophobicContact CG2-CE2 3.9Å; I192-F277 HydrophobicContact CG2-CZ 3.83Å
193	W	97.3	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-26.8	176.1	57.3	79.6	0	0	0	113	L165 F191 E195 K197 T203 Y215 F222 P226 T227 F277 F279	L165-W193 HydrophobicContact CB-CZ3 4.3Å; L165-W193 HydrophobicContact CD1-CH2 4.4Å; L165-W193 HydrophobicContact CD1-CZ3 3.88Å; L165-W193 HydrophobicContact CD2-CE3 4.38Å; L165-W193 HydrophobicContact CD2-CZ3 3.99Å; L165-W193 HydrophobicContact CG-CZ3 4.28Å; F191-W193 HydrophobicContact CB-CD2 3.51Å; F191-W193 HydrophobicContact CB-CE3 3.91Å; F191-W193 HydrophobicContact CB-CG 4.12Å; F191-W193 HydrophobicContact CB-CH2 3.87Å; F191-W193 HydrophobicContact CB-CZ2 3.45Å; F191-W193 VanDerWaalsContact CB-CZ2 3.45Å; F191-W193 HydrophobicContact CB-CZ3 4.08Å; F191-W193 HydrophobicContact CD1-CE3 4.36Å; F191-W193 AromaticContact CD1-CH2 3.14Å; F191-W193 HydrophobicContact CD1-CH2 3.14Å; F191-W193 AromaticContact CD1-CZ2 3.42Å; F191-W193 HydrophobicContact CD1-CZ2 3.42Å; F191-W193 VanDerWaalsContact CD1-CZ2 3.42Å; F191-W193 AromaticContact CD1-CZ3 3.68Å; F191-W193 HydrophobicContact CD1-CZ3 3.68Å; F191-W193 AromaticContact CD2-CE2 3.82Å; F191-W193 AromaticContact CD2-CH2 3.95Å; F191-W193 HydrophobicContact CD2-CH2 3.95Å; F191-W193 AromaticContact CD2-CZ2 3.29Å; F191-W193 HydrophobicContact CD2-CZ2 3.29Å; F191-W193 AromaticContact CE1-CH2 3.44Å; F191-W193 HydrophobicContact CE1-CH2 3.44Å; F191-W193 VanDerWaalsContact CE1-CH2 3.44Å; F191-W193 AromaticContact CE1-CZ2 3.84Å; F191-W193 HydrophobicContact CE1-CZ2 3.84Å; F191-W193 HydrophobicContact CE1-CZ3 4.26Å; F191-W193 HydrophobicContact CE2-CH2 4.19Å; F191-W193 AromaticContact CE2-CZ2 3.73Å; F191-W193 HydrophobicContact CE2-CZ2 3.73Å; F191-W193 HydrophobicContact CG-CD2 4.15Å; F191-W193 AromaticContact CG-CE2 3.51Å; F191-W193 HydrophobicContact CG-CE3 4.36Å; F191-W193 AromaticContact CG-CH2 3.4Å; F191-W193 HydrophobicContact CG-CH2 3.4Å; F191-W193 VanDerWaalsContact CG-CH2 3.4Å; F191-W193 AromaticContact CG-CZ2 3.1Å; F191-W193 HydrophobicContact CG-CZ2 3.1Å; F191-W193 HydrophobicContact CG-CZ3 4.04Å; F191-W193 AromaticContact CZ-CH2 3.94Å; F191-W193 HydrophobicContact CZ-CH2 3.94Å; F191-W193 AromaticContact CZ-CZ2 3.96Å; F191-W193 HydrophobicContact CZ-CZ2 3.96Å; F191-W193 PolarHBondContact O-N 3.42Å; W193-E195 VanDerWaalsContact C-N 3.34Å; W193-K197 WeakPolarHBondContact O-CB 3.29Å; W193-K197 PolarHBondContact O-N 3.06Å; W193-T203 HydrophobicContact CB-CG2 4.15Å; W193-Y215 HydrophobicContact CH2-CE2 4.47Å; W193-F222 HydrophobicContact CZ2-CE1 4.3Å; W193-F222 HydrophobicContact CZ2-CZ 4.06Å; W193-P226 HydrophobicContact CZ2-CB 4.33Å; W193-P226 PolarHBondContact NE1-O 3.28Å; W193-P226 VanDerWaalsContact NE1-O 3.15Å; W193-T227 HydrophobicContact CB-CG2 4.18Å; W193-T227 HydrophobicContact CD2-CG2 4.25Å; W193-T227 HydrophobicContact CG-CG2 3.86Å; W193-F277 HydrophobicContact CB-CD1 3.79Å; W193-F277 HydrophobicContact CB-CE1 3.7Å; W193-F277 HydrophobicContact CB-CZ 4.44Å; W193-F277 AromaticContact CE3-CE1 3.96Å; W193-F277 HydrophobicContact CE3-CE1 3.96Å; W193-F277 HydrophobicContact CE3-CZ 4.24Å; W193-F279 HydrophobicContact CZ3-CD1 4.46Å
194	K	96.6	Very high	95.7	Very high	74 Å²	74	40.9 Å²	40.9	32%	0.322	20%	0.199	S	C	.	.	H	α-helix	trans	-67.1	-39.8	174.1	-63.1	179	175.8	173.5	0	111	D187 Y189 F191 I192 R198	D187-K194 PolarHBondContact O-NZ 2.97Å; Y189-K194 PolarHBondContact O-NZ 2.96Å; F191-K194 HydrophobicContact CB-CG 4.48Å; F191-K194 VanDerWaalsContact O-CB 3.28Å; F191-K194 WeakPolarHBondContact O-CB 3.38Å; F191-K194 PolarHBondContact O-N 3.46Å; I192-K194 PolarHBondContact O-N 3.18Å; K194-R198 WeakPolarHBondContact O-CG 3.27Å; K194-R198 PolarHBondContact O-N 2.99Å
195	E	93.5	Very high	95.7	Very high	91 Å²	91	38.5 Å²	38.5	43%	0.425	18%	0.183	S	C	.	.	H	α-helix	trans	-71	-47.2	176.8	-178.1	167.5	-138.3	0	0	111.4	I192 W193 K197 R198 F199	I192-E195 PolarHBondContact O-N 3.45Å; I192-E195 VanDerWaalsContact O-N 3.11Å; W193-E195 VanDerWaalsContact C-N 3.34Å; E195-K197 VanDerWaalsContact C-N 3.28Å; E195-K197 PolarHBondContact O-N 3.48Å; E195-R198 WeakPolarHBondContact O-CA 3.31Å; E195-R198 WeakPolarHBondContact O-CB 3.5Å; E195-R198 PolarHBondContact O-N 3.29Å; E195-F199 HydrophobicContact CG-CD2 4.07Å; E195-F199 HydrophobicContact CG-CE2 3.51Å; E195-F199 HydrophobicContact CG-CZ 4.07Å; E195-F199 PolarHBondContact O-N 3.26Å
196	L	93.6	Very high	95.7	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-39.4	176.5	-67.5	172.1	0	0	0	111.7	I114 I192 R198 F199 G200 Y201 F277	I114-L196 HydrophobicContact CD1-CD1 3.93Å; I114-L196 HydrophobicContact CD1-CD2 4.2Å; I192-L196 HydrophobicContact CD1-CG 4.49Å; I192-L196 HydrophobicContact CG1-CD1 3.94Å; I192-L196 HydrophobicContact CG1-CG 4.2Å; I192-L196 WeakPolarHBondContact O-CG 3.2Å; I192-L196 PolarHBondContact O-N 2.97Å; L196-R198 VanDerWaalsContact C-N 3.28Å; L196-R198 PolarHBondContact O-N 2.64Å; L196-F199 CarbonylContact O-C 3.55Å; L196-F199 WeakPolarHBondContact O-CA 3.49Å; L196-F199 PolarHBondContact O-N 3.21Å; L196-G200 PolarHBondContact O-N 3.35Å; L196-Y201 HydrophobicContact CB-CD1 4.28Å; L196-Y201 HydrophobicContact CB-CD2 4.2Å; L196-Y201 HydrophobicContact CB-CG 3.89Å; L196-Y201 HydrophobicContact CD2-CD1 4.31Å; L196-Y201 HydrophobicContact CD2-CD2 4.13Å; L196-Y201 HydrophobicContact CD2-CE1 4.2Å; L196-Y201 HydrophobicContact CD2-CE2 4.01Å; L196-Y201 HydrophobicContact CD2-CG 4.31Å; L196-Y201 WeakPolarHBondContact O-CB 3.42Å; L196-Y201 PolarHBondContact O-N 3.27Å; L196-F277 HydrophobicContact CD1-CB 3.86Å; L196-F277 HydrophobicContact CD1-CD2 3.19Å; L196-F277 HydrophobicContact CD1-CE2 3.86Å; L196-F277 HydrophobicContact CD1-CG 3.66Å
197	K	92.4	Very high	95.7	Very high	70 Å²	70	34.4 Å²	34.4	30%	0.304	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-39.9	173	-175.7	165.7	170.8	148.2	0	112	R101 W193 E195 F199 G200 T203 D228	R101-K197 VanDerWaalsContact NH1-CG 3.28Å; W193-K197 WeakPolarHBondContact O-CB 3.29Å; W193-K197 PolarHBondContact O-N 3.06Å; E195-K197 VanDerWaalsContact C-N 3.28Å; E195-K197 PolarHBondContact O-N 3.48Å; K197-F199 VanDerWaalsContact C-N 3.33Å; K197-G200 PolarHBondContact O-N 2.88Å; K197-G200 VanDerWaalsContact O-N 3.1Å; K197-T203 HydrophobicContact CB-CG2 3.98Å; K197-D228 WeakPolarHBondContact CE-OD1 3.28Å; K197-D228 IonicContact NZ-OD1 2.78Å; K197-D228 PolarHBondContact NZ-OD1 2.64Å
198	R	90.4	Very high	95.6	Very high	179 Å²	179	32.3 Å²	32.3	68%	0.675	15%	0.154	S	C	*	.	H	α-helix	trans	-67	-31.8	174.1	-73.3	174.8	56.5	-112.6	-4.8	112.9	K194 E195 L196 G200	K194-R198 WeakPolarHBondContact O-CG 3.27Å; K194-R198 PolarHBondContact O-N 2.99Å; E195-R198 WeakPolarHBondContact O-CA 3.31Å; E195-R198 WeakPolarHBondContact O-CB 3.5Å; E195-R198 PolarHBondContact O-N 3.29Å; L196-R198 VanDerWaalsContact C-N 3.28Å; L196-R198 PolarHBondContact O-N 2.64Å; R198-G200 PolarHBondContact O-N 3.3Å
199	F	88.9	Confident	95.5	Very high	45 Å²	45	29.3 Å²	29.3	20%	0.197	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	4.6	171.9	-62	-39.2	0	0	0	113.4	V105 I106 F108 E195 L196 K197 Y201	V105-F199 WeakPolarHBondContact CA-O 3.07Å; V105-F199 HydrophobicContact CG1-CB 4.27Å; V105-F199 WeakPolarHBondContact CG1-O 3.41Å; I106-F199 HydrophobicContact CB-CD1 4.24Å; F108-F199 HydrophobicContact CE2-CD2 4.13Å; F108-F199 HydrophobicContact CE2-CE2 4.32Å; E195-F199 HydrophobicContact CG-CD2 4.07Å; E195-F199 HydrophobicContact CG-CE2 3.51Å; E195-F199 HydrophobicContact CG-CZ 4.07Å; E195-F199 PolarHBondContact O-N 3.26Å; L196-F199 CarbonylContact O-C 3.55Å; L196-F199 WeakPolarHBondContact O-CA 3.49Å; L196-F199 PolarHBondContact O-N 3.21Å; K197-F199 VanDerWaalsContact C-N 3.33Å; F199-Y201 HydrophobicContact CB-CD2 4.37Å
200	G	89.8	Confident	95.4	Very high	7 Å²	7	29.3 Å²	29.3	7%	0.072	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	11.2	175	0	0	0	0	0	114.1	L196 K197 R198 Q274	L196-G200 PolarHBondContact O-N 3.35Å; K197-G200 PolarHBondContact O-N 2.88Å; K197-G200 VanDerWaalsContact O-N 3.1Å; R198-G200 PolarHBondContact O-N 3.3Å; G200-Q274 PolarHBondContact O-NE2 2.95Å
201	Y	93	Very high	95.1	Very high	8 Å²	8	28.7 Å²	28.7	3%	0.031	13%	0.133	C	C	.	.			trans	-67.6	141.1	173	-76.8	-124.4	0	0	0	111.4	V105 P111 L112 I114 L196 F199 P275 F277	V105-Y201 HydrophobicContact CG1-CE2 4.25Å; P111-Y201 HydrophobicContact CB-CE2 4.28Å; P111-Y201 WeakPolarHBondContact CB-OH 3.07Å; L112-Y201 VanDerWaalsContact O-CE1 3.29Å; L112-Y201 WeakPolarHBondContact O-CE1 3.45Å; L112-Y201 PolarHBondContact O-OH 3.41Å; I114-Y201 HydrophobicContact CD1-CE1 4.27Å; I114-Y201 HydrophobicContact CG1-CE1 4.5Å; L196-Y201 HydrophobicContact CB-CD1 4.28Å; L196-Y201 HydrophobicContact CB-CD2 4.2Å; L196-Y201 HydrophobicContact CB-CG 3.89Å; L196-Y201 HydrophobicContact CD2-CD1 4.31Å; L196-Y201 HydrophobicContact CD2-CD2 4.13Å; L196-Y201 HydrophobicContact CD2-CE1 4.2Å; L196-Y201 HydrophobicContact CD2-CE2 4.01Å; L196-Y201 HydrophobicContact CD2-CG 4.31Å; L196-Y201 WeakPolarHBondContact O-CB 3.42Å; L196-Y201 PolarHBondContact O-N 3.27Å; F199-Y201 HydrophobicContact CB-CD2 4.37Å; Y201-P275 WeakPolarHBondContact CA-O 3.43Å; Y201-P275 HydrophobicContact CD1-CB 3.8Å; Y201-P275 HydrophobicContact CD1-CG 4.39Å; Y201-P275 HydrophobicContact CD2-CB 3.87Å; Y201-P275 HydrophobicContact CD2-CG 3.7Å; Y201-P275 HydrophobicContact CE1-CB 3.65Å; Y201-P275 HydrophobicContact CE2-CB 3.71Å; Y201-P275 HydrophobicContact CE2-CG 3.86Å; Y201-P275 HydrophobicContact CG-CB 3.88Å; Y201-P275 HydrophobicContact CG-CG 3.96Å; Y201-F277 HydrophobicContact CD1-CB 4.04Å
202	A	94.8	Very high	94.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.2	157.8	0	0	0	0	0	107.9	M98 F266 Y270 Q274 P275 K276 F277	M98-A202 HydrophobicContact SD-CB 3.53Å; M98-A202 VanDerWaalsContact SD-CB 3.53Å; A202-F266 HydrophobicContact CB-CE2 3.75Å; A202-F266 HydrophobicContact CB-CZ 3.7Å; A202-Y270 HydrophobicContact CB-CD2 4.24Å; A202-Y270 HydrophobicContact CB-CE2 4.22Å; A202-Y270 HydrophobicContact CB-CG 4.49Å; A202-Q274 HydrophobicContact CB-CG 4.31Å; A202-P275 PolarHBondContact N-O 3.06Å; A202-K276 HydrophobicContact CB-CG 4.43Å; A202-K276 WeakPolarHBondContact O-CA 3.47Å; A202-F277 PolarHBondContact O-N 3.49Å
203	T	97.5	Very high	94.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.6	-173.5	57.3	0	0	0	0	112.7	W193 K197 D228 H229 F277	W193-T203 HydrophobicContact CB-CG2 4.15Å; K197-T203 HydrophobicContact CB-CG2 3.98Å; T203-D228 PolarHBondContact N-OD2 2.93Å; T203-D228 WeakPolarHBondContact O-CB 3.43Å; T203-D228 PolarHBondContact O-N 3.43Å; T203-D228 PolarHBondContact OG1-N 3.27Å; T203-D228 PolarHBondContact OG1-OD2 3.4Å; T203-H229 PolarHBondContact O-N 3.49Å; T203-F277 CarbonylContact C-O 3.47Å; T203-F277 WeakPolarHBondContact CA-O 3.3Å; T203-F277 HydrophobicContact CG2-CB 4.36Å
204	L	98.6	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.9	178.3	-178.6	153.6	0	0	0	110.8	I92 A206 H229 Y262 V263 F266 F277 A278 F279	I92-L204 HydrophobicContact CD1-CD1 3.97Å; L204-A206 HydrophobicContact CD2-CB 3.71Å; L204-H229 WeakPolarHBondContact CA-O 3.42Å; L204-H229 HydrophobicContact CB-CB 4.06Å; L204-H229 HydrophobicContact CD1-CB 3.98Å; L204-H229 HydrophobicContact CG-CB 3.94Å; L204-Y262 HydrophobicContact CD1-CD1 3.83Å; L204-Y262 HydrophobicContact CD1-CE1 3.62Å; L204-Y262 HydrophobicContact CG-CD1 4.48Å; L204-Y262 HydrophobicContact CG-CE1 4.07Å; L204-V263 HydrophobicContact CD1-CG2 4.47Å; L204-V263 HydrophobicContact CD2-CG2 3.88Å; L204-F266 HydrophobicContact CB-CD1 4.05Å; L204-F266 HydrophobicContact CB-CD2 4.42Å; L204-F266 HydrophobicContact CB-CE1 3.91Å; L204-F266 HydrophobicContact CB-CE2 4.33Å; L204-F266 HydrophobicContact CB-CG 4.3Å; L204-F266 HydrophobicContact CB-CZ 4.07Å; L204-F266 HydrophobicContact CD1-CB 3.56Å; L204-F266 HydrophobicContact CD1-CD1 3.87Å; L204-F266 HydrophobicContact CD1-CD2 4.04Å; L204-F266 HydrophobicContact CD1-CG 3.56Å; L204-F277 PolarHBondContact N-O 2.78Å; L204-A278 HydrophobicContact CB-CB 4.32Å; L204-A278 HydrophobicContact CD2-CB 4.18Å; L204-A278 WeakPolarHBondContact O-CA 3.27Å; L204-F279 PolarHBondContact O-N 2.86Å
205	F	98.7	Very high	94.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.6	167.1	178.3	-161.2	0	0	0	108.7	E207 Y215 F222 P226 T227 H229 Y230 L231 F279	F205-E207 HydrophobicContact CE2-CB 3.79Å; F205-E207 HydrophobicContact CZ-CB 4.08Å; F205-Y215 HydrophobicContact CE1-CD2 4.01Å; F205-Y215 HydrophobicContact CE1-CE2 4.23Å; F205-Y215 HydrophobicContact CZ-CD2 4.05Å; F205-Y215 HydrophobicContact CZ-CE2 4.07Å; F205-F222 HydrophobicContact CE1-CE2 4.03Å; F205-P226 HydrophobicContact CD1-CG 4.05Å; F205-T227 HydrophobicContact CB-CG2 3.82Å; F205-T227 WeakPolarHBondContact CB-OG1 3.3Å; F205-T227 PolarHBondContact N-OG1 3.08Å; F205-H229 PolarHBondContact N-O 2.97Å; F205-Y230 HydrophobicContact CB-CD2 3.95Å; F205-Y230 HydrophobicContact CB-CE2 4.28Å; F205-Y230 AromaticContact CD1-CD2 3.82Å; F205-Y230 HydrophobicContact CD1-CD2 3.82Å; F205-Y230 AromaticContact CD1-CE2 3.29Å; F205-Y230 HydrophobicContact CD1-CE2 3.29Å; F205-Y230 AromaticContact CE1-CE2 3.64Å; F205-Y230 HydrophobicContact CE1-CE2 3.64Å; F205-Y230 HydrophobicContact CG-CD2 4.02Å; F205-Y230 AromaticContact CG-CE2 3.83Å; F205-Y230 HydrophobicContact CG-CE2 3.83Å; F205-Y230 HydrophobicContact CZ-CE2 4.43Å; F205-Y230 WeakPolarHBondContact O-CA 3.46Å; F205-Y230 WeakPolarHBondContact O-CD2 3.27Å; F205-L231 PolarHBondContact O-N 3.08Å; F205-F279 CarbonylContact C-O 3.58Å; F205-F279 WeakPolarHBondContact CA-O 3.42Å; F205-F279 AromaticContact CD2-CD1 3.39Å; F205-F279 HydrophobicContact CD2-CD1 3.39Å; F205-F279 HydrophobicContact CD2-CE1 4Å; F205-F279 HydrophobicContact CD2-CG 4.38Å; F205-F279 WeakPolarHBondContact CD2-O 3.2Å; F205-F279 AromaticContact CE2-CD1 3.45Å; F205-F279 HydrophobicContact CE2-CD1 3.45Å; F205-F279 VanDerWaalsContact CE2-CD1 3.45Å; F205-F279 AromaticContact CE2-CE1 3.54Å; F205-F279 HydrophobicContact CE2-CE1 3.54Å; F205-F279 HydrophobicContact CG-CD1 4.25Å; F205-F279 HydrophobicContact CZ-CD1 4.33Å; F205-F279 HydrophobicContact CZ-CE1 4.24Å
206	A	98.5	Very high	94.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	110.3	-178.9	0	0	0	0	0	111.9	L204 L231 H259 Y262 F279 Q280 I281	L204-A206 HydrophobicContact CD2-CB 3.71Å; A206-L231 HydrophobicContact CB-CB 3.68Å; A206-L231 HydrophobicContact CB-CD2 3.76Å; A206-L231 HydrophobicContact CB-CG 4.39Å; A206-H259 PolarHBondContact O-NE2 2.9Å; A206-Y262 HydrophobicContact CB-CD1 4.33Å; A206-F279 PolarHBondContact N-O 3.3Å; A206-Q280 HydrophobicContact CB-CB 4.37Å; A206-Q280 HydrophobicContact CB-CG 4.16Å; A206-Q280 CarbonylContact O-C 3.56Å; A206-Q280 WeakPolarHBondContact O-CA 3.5Å; A206-I281 PolarHBondContact O-N 3.18Å
207	E	97.3	Very high	95	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.8	176.6	176.3	171	-140	0	0	108.9	F205 T214 Y235 I281 V283	F205-E207 HydrophobicContact CE2-CB 3.79Å; F205-E207 HydrophobicContact CZ-CB 4.08Å; E207-T214 VanDerWaalsContact OE1-CB 3.23Å; E207-T214 WeakPolarHBondContact OE1-CB 3.41Å; E207-T214 PolarHBondContact OE1-N 3.49Å; E207-T214 PolarHBondContact OE1-OG1 3.04Å; E207-T214 PolarHBondContact OE2-N 2.88Å; E207-Y235 WeakPolarHBondContact O-CD2 3.26Å; E207-I281 HydrophobicContact CB-CG2 3.78Å; E207-I281 HydrophobicContact CG-CG2 3.58Å; E207-V283 HydrophobicContact CG-CG2 4.33Å
208	D	96	Very high	95.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.126	C	C	.	.			trans	-96.9	-177	174.5	62.7	-15.2	0	0	0	112.1	Y235 Q255 H259 V283 G284	D208-Y235 VanDerWaalsContact CA-CD2 3.47Å; D208-Y235 HydrophobicContact CB-CD1 4.46Å; D208-Y235 HydrophobicContact CB-CD2 3.73Å; D208-Y235 HydrophobicContact CB-CE1 4.4Å; D208-Y235 HydrophobicContact CB-CE2 3.58Å; D208-Y235 HydrophobicContact CB-CG 4.16Å; D208-Q255 PolarHBondContact OD2-NE2 3.25Å; D208-H259 IonicContact OD1-CE1 2.68Å; D208-H259 IonicContact OD2-ND1 3.85Å; D208-V283 WeakPolarHBondContact OD1-CA 3.46Å; D208-V283 VanDerWaalsContact OD1-CB 3.3Å; D208-V283 WeakPolarHBondContact OD1-CB 3.25Å; D208-V283 WeakPolarHBondContact OD1-CG2 3.49Å; D208-V283 PolarHBondContact OD1-N 2.95Å; D208-V283 PolarHBondContact OD2-N 3.29Å; D208-G284 PolarHBondContact OD2-N 3.19Å
209	V	95.8	Very high	95.5	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	9%	0.094	C	C	.	.			trans	48	62.9	-179.1	-158.4	0	0	0	0	112.8	S211 I212 G213 Y245 N246 V283	V209-S211 PolarHBondContact O-N 3.13Å; V209-I212 HydrophobicContact CB-CG1 4.05Å; V209-I212 HydrophobicContact CG1-CD1 3.95Å; V209-I212 HydrophobicContact CG1-CG1 3.51Å; V209-I212 PolarHBondContact O-N 2.85Å; V209-G213 PolarHBondContact O-N 3.04Å; V209-Y245 HydrophobicContact CG1-CD2 4.27Å; V209-Y245 HydrophobicContact CG1-CE2 3.49Å; V209-Y245 VanDerWaalsContact CG1-CE2 3.49Å; V209-N246 HydrophobicContact CG1-CB 4.19Å; V209-N246 HydrophobicContact CG2-CB 4.2Å; V209-V283 HydrophobicContact CB-CB 4.2Å; V209-V283 HydrophobicContact CB-CG1 4.18Å; V209-V283 HydrophobicContact CG2-CB 3.94Å; V209-V283 HydrophobicContact CG2-CG1 4.18Å
210	P	95.7	Very high	95.9	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.026	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-59.2	-21.5	-171.4	25.8	-38.3	0	0	0	114.1	I212 G213 R232 L236 E239	P210-I212 VanDerWaalsContact C-N 3.27Å; P210-I212 PolarHBondContact O-N 3.37Å; P210-G213 PolarHBondContact O-N 2.72Å; P210-R232 HydrophobicContact CB-CG 4.13Å; P210-R232 PolarHBondContact O-NH2 3.37Å; P210-L236 HydrophobicContact CB-CD2 3.7Å; P210-L236 HydrophobicContact CB-CG 3.93Å; P210-L236 HydrophobicContact CG-CD2 4.03Å; P210-L236 HydrophobicContact CG-CG 4.28Å; P210-E239 WeakPolarHBondContact CD-OE1 2.91Å; P210-E239 HydrophobicContact CG-CG 4.23Å; P210-E239 WeakPolarHBondContact CG-OE2 3.21Å
211	S	92.3	Very high	96.2	Very high	52 Å²	52	20.4 Å²	20.4	36%	0.364	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-62.8	-27.8	175.1	51.4	0	0	0	0	114	V209 Y217 Y245	V209-S211 PolarHBondContact O-N 3.13Å; S211-Y217 WeakPolarHBondContact O-CD2 3.34Å; S211-Y245 VanDerWaalsContact OG-CD2 3.3Å; S211-Y245 WeakPolarHBondContact OG-CD2 3.45Å; S211-Y245 WeakPolarHBondContact OG-CE2 3.3Å
212	I	94	Very high	96.5	Very high	37 Å²	37	20.2 Å²	20.2	19%	0.19	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-124	20.8	176.6	54.7	165.1	0	0	0	113.1	V209 P210 Y217 V283 H287	V209-I212 HydrophobicContact CB-CG1 4.05Å; V209-I212 HydrophobicContact CG1-CD1 3.95Å; V209-I212 HydrophobicContact CG1-CG1 3.51Å; V209-I212 PolarHBondContact O-N 2.85Å; P210-I212 VanDerWaalsContact C-N 3.27Å; P210-I212 PolarHBondContact O-N 3.37Å; I212-Y217 HydrophobicContact CG2-CD2 4.12Å; I212-Y217 HydrophobicContact CG2-CE2 4.19Å; I212-V283 HydrophobicContact CD1-CG1 3.67Å; I212-V283 HydrophobicContact CG1-CG1 4.2Å; I212-H287 HydrophobicContact CD1-CB 4.36Å; I212-H287 WeakPolarHBondContact CD1-ND1 3.49Å
213	G	95.3	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.117	C	C	.	.			trans	-56.9	144.8	-176.7	0	0	0	0	0	114.1	V209 P210 Y215 T216 Y217	V209-G213 PolarHBondContact O-N 3.04Å; P210-G213 PolarHBondContact O-N 2.72Å; G213-Y215 VanDerWaalsContact C-N 3.33Å; G213-Y215 PolarHBondContact O-N 3.06Å; G213-T216 WeakPolarHBondContact CA-OG1 3.32Å; G213-T216 PolarHBondContact O-N 2.7Å; G213-T216 PolarHBondContact O-OG1 2.78Å; G213-Y217 WeakPolarHBondContact O-CB 3.36Å; G213-Y217 PolarHBondContact O-N 2.99Å
214	T	95.8	Very high	96.6	Very high	7 Å²	7	32 Å²	32	4%	0.043	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-51.6	-170.4	-63	0	0	0	0	112.4	T157 P158 L161 E207	T157-T214 HydrophobicContact CG2-CG2 4.19Å; P158-T214 HydrophobicContact CB-CG2 4.42Å; P158-T214 HydrophobicContact CG-CG2 4.11Å; P158-T214 WeakPolarHBondContact CG-O 3.49Å; L161-T214 HydrophobicContact CD1-CG2 3.85Å; E207-T214 VanDerWaalsContact OE1-CB 3.23Å; E207-T214 WeakPolarHBondContact OE1-CB 3.41Å; E207-T214 PolarHBondContact OE1-N 3.49Å; E207-T214 PolarHBondContact OE1-OG1 3.04Å; E207-T214 PolarHBondContact OE2-N 2.88Å
215	Y	97.2	Very high	96.6	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	3.2	-175.9	-54.1	-61.2	0	0	0	113.5	L162 L165 V186 F191 W193 F205 G213 L219 G221 F222	L162-Y215 HydrophobicContact CD2-CE1 3.7Å; L162-Y215 HydrophobicContact CG-CE1 4.09Å; L165-Y215 WeakPolarHBondContact CD1-OH 3.31Å; V186-Y215 HydrophobicContact CG1-CD1 4.31Å; V186-Y215 HydrophobicContact CG1-CG 4.28Å; F191-Y215 HydrophobicContact CE1-CE1 4.26Å; F191-Y215 HydrophobicContact CE1-CE2 4.29Å; F191-Y215 AromaticContact CE1-CZ 3.89Å; F191-Y215 HydrophobicContact CZ-CE1 4.23Å; F191-Y215 HydrophobicContact CZ-CE2 4.34Å; W193-Y215 HydrophobicContact CH2-CE2 4.47Å; F205-Y215 HydrophobicContact CE1-CD2 4.01Å; F205-Y215 HydrophobicContact CE1-CE2 4.23Å; F205-Y215 HydrophobicContact CZ-CD2 4.05Å; F205-Y215 HydrophobicContact CZ-CE2 4.07Å; G213-Y215 VanDerWaalsContact C-N 3.33Å; G213-Y215 PolarHBondContact O-N 3.06Å; Y215-L219 HydrophobicContact CD1-CD1 4.11Å; Y215-L219 CarbonylContact O-C 3.59Å; Y215-L219 WeakPolarHBondContact O-CB 3.25Å; Y215-G221 WeakPolarHBondContact O-CA 3.5Å; Y215-G221 PolarHBondContact O-N 3.01Å; Y215-F222 AromaticContact CD2-CE2 3.89Å; Y215-F222 HydrophobicContact CD2-CE2 3.89Å; Y215-F222 AromaticContact CD2-CZ 3.99Å; Y215-F222 HydrophobicContact CD2-CZ 3.99Å; Y215-F222 HydrophobicContact CG-CE2 4.24Å; Y215-F222 HydrophobicContact CG-CZ 4.35Å
216	T	96.8	Very high	96.6	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-19.8	-176.4	50.1	0	0	0	0	114.1	D51 F52 K178 G213 L219 R232	D51-T216 HydrophobicContact CB-CG2 4.04Å; D51-T216 WeakPolarHBondContact OD2-CG2 3.48Å; F52-T216 HydrophobicContact CE1-CG2 4.29Å; F52-T216 HydrophobicContact CZ-CG2 4.43Å; K178-T216 WeakPolarHBondContact CE-O 3.32Å; K178-T216 PolarHBondContact NZ-O 3.48Å; G213-T216 WeakPolarHBondContact CA-OG1 3.32Å; G213-T216 PolarHBondContact O-N 2.7Å; G213-T216 PolarHBondContact O-OG1 2.78Å; T216-L219 CarbonylContact C-O 3.26Å; T216-R232 PolarHBondContact OG1-NE 2.87Å; T216-R232 PolarHBondContact OG1-NH2 2.91Å
217	Y	95.7	Very high	96.5	Very high	141 Å²	141	35.9 Å²	35.9	55%	0.553	16%	0.164	S	C	*	.	S	Bend	trans	-71.5	-65.3	-177.6	-176.9	-120.8	0	0	0	111.1	K178 S211 I212 G213	K178-Y217 WeakPolarHBondContact CE-O 3.48Å; K178-Y217 PolarHBondContact NZ-O 3.18Å; S211-Y217 WeakPolarHBondContact O-CD2 3.34Å; I212-Y217 HydrophobicContact CG2-CD2 4.12Å; I212-Y217 HydrophobicContact CG2-CE2 4.19Å; G213-Y217 WeakPolarHBondContact O-CB 3.36Å; G213-Y217 PolarHBondContact O-N 2.99Å
218	R	96.1	Very high	96.5	Very high	118 Å²	118	36.2 Å²	36.2	45%	0.445	17%	0.166	S	C	.	.	S	Bend	trans	-91.1	-24.5	178.9	-67.4	-175.6	-73	168.5	-3.3	113.8	R177 K178	R177-R218 WeakPolarHBondContact CA-O 3.36Å; K178-R218 PolarHBondContact N-O 2.74Å
219	L	97	Very high	96.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-102.6	161.1	-176.1	-45	-178.2	0	0	0	111.2	T176 R177 K178 V186 Y189 Y215 T216 G221	T176-L219 CarbonylContact O-C 3.49Å; T176-L219 VanDerWaalsContact O-CA 3.29Å; T176-L219 WeakPolarHBondContact O-CA 3.11Å; R177-L219 HydrophobicContact CB-CD2 4.35Å; R177-L219 HydrophobicContact CG-CD2 3.6Å; K178-L219 WeakPolarHBondContact CE-O 3.44Å; V186-L219 HydrophobicContact CG2-CB 3.83Å; V186-L219 HydrophobicContact CG2-CD1 4.09Å; Y189-L219 HydrophobicContact CE2-CD1 4.45Å; Y215-L219 HydrophobicContact CD1-CD1 4.11Å; Y215-L219 CarbonylContact O-C 3.59Å; Y215-L219 WeakPolarHBondContact O-CB 3.25Å; T216-L219 CarbonylContact C-O 3.26Å; L219-G221 PolarHBondContact O-N 3.19Å
220	K	97.5	Very high	96.8	Very high	52 Å²	52	36.2 Å²	36.2	23%	0.226	17%	0.165	C	C	.	.			trans	-65.1	-5.3	-176.1	-77	-171.3	171.9	-179.6	0	114.8	F52 T176 K178 A183 S184 F185	F52-K220 VanDerWaalsContact CE2-O 3.32Å; F52-K220 WeakPolarHBondContact CE2-O 3.23Å; T176-K220 PolarHBondContact O-N 2.71Å; K178-K220 HydrophobicContact CG-CG 4.3Å; A183-K220 HydrophobicContact CB-CD 3.96Å; A183-K220 PolarHBondContact O-NZ 2.82Å; S184-K220 WeakPolarHBondContact O-CD 3.45Å; F185-K220 HydrophobicContact CD1-CB 4Å; F185-K220 WeakPolarHBondContact CD1-O 3.49Å; F185-K220 HydrophobicContact CE1-CB 4.44Å; F185-K220 HydrophobicContact CG-CB 4.48Å
221	G	97.8	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.			trans	71.5	-169.8	-173.5	0	0	0	0	0	112.5	D51 V186 Y215 L219	D51-G221 WeakPolarHBondContact OD2-CA 3.34Å; V186-G221 WeakPolarHBondContact CB-O 3.34Å; V186-G221 PolarHBondContact N-O 3.32Å; Y215-G221 WeakPolarHBondContact O-CA 3.5Å; Y215-G221 PolarHBondContact O-N 3.01Å; L219-G221 PolarHBondContact O-N 3.19Å
222	F	98.3	Very high	97.1	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	15%	0.148	C	C	.	.			trans	-92.3	132.5	176.6	-62.9	-82.1	0	0	0	111.7	D51 V186 D187 F191 W193 F205 Y215 E224 P226	D51-F222 WeakPolarHBondContact CB-O 3.27Å; D51-F222 WeakPolarHBondContact OD2-CD2 3.4Å; D51-F222 PolarHBondContact OD2-N 3.13Å; V186-F222 HydrophobicContact CB-CD1 4.35Å; V186-F222 HydrophobicContact CB-CE1 4.23Å; V186-F222 HydrophobicContact CB-CZ 4.5Å; V186-F222 HydrophobicContact CG1-CD1 4.37Å; V186-F222 HydrophobicContact CG1-CE1 3.76Å; V186-F222 HydrophobicContact CG1-CE2 4.48Å; V186-F222 HydrophobicContact CG1-CZ 3.81Å; D187-F222 WeakPolarHBondContact OD2-CA 3.48Å; F191-F222 HydrophobicContact CD2-CE1 4.21Å; F191-F222 AromaticContact CE2-CE1 3.56Å; F191-F222 HydrophobicContact CE2-CE1 3.56Å; F191-F222 AromaticContact CE2-CZ 3.8Å; F191-F222 HydrophobicContact CE2-CZ 3.8Å; F191-F222 HydrophobicContact CZ-CE1 4.24Å; F191-F222 HydrophobicContact CZ-CZ 4.01Å; W193-F222 HydrophobicContact CZ2-CE1 4.3Å; W193-F222 HydrophobicContact CZ2-CZ 4.06Å; F205-F222 HydrophobicContact CE1-CE2 4.03Å; Y215-F222 AromaticContact CD2-CE2 3.89Å; Y215-F222 HydrophobicContact CD2-CE2 3.89Å; Y215-F222 AromaticContact CD2-CZ 3.99Å; Y215-F222 HydrophobicContact CD2-CZ 3.99Å; Y215-F222 HydrophobicContact CG-CE2 4.24Å; Y215-F222 HydrophobicContact CG-CZ 4.35Å; F222-E224 WeakPolarHBondContact CB-O 3.47Å; F222-P226 HydrophobicContact CD1-CB 3.75Å; F222-P226 HydrophobicContact CD1-CG 4.27Å; F222-P226 HydrophobicContact CD2-CB 4.29Å; F222-P226 HydrophobicContact CD2-CG 3.97Å; F222-P226 HydrophobicContact CE1-CB 3.69Å; F222-P226 HydrophobicContact CE1-CG 4.39Å; F222-P226 HydrophobicContact CE2-CB 4.28Å; F222-P226 HydrophobicContact CE2-CG 4.14Å; F222-P226 HydrophobicContact CG-CB 4.05Å; F222-P226 HydrophobicContact CG-CG 4.05Å; F222-P226 HydrophobicContact CZ-CB 3.98Å; F222-P226 HydrophobicContact CZ-CG 4.34Å
223	K	97.6	Very high	97.3	Very high	124 Å²	124	32 Å²	32	54%	0.539	14%	0.139	S	C	.	.	S	Bend	trans	-76.9	-43.5	170.1	-171.5	178.5	177.6	-173.7	0	110.8	F48 F185 D187	F48-K223 WeakPolarHBondContact CE1-O 3.27Å; F185-K223 HydrophobicContact CB-CB 4.05Å; F185-K223 HydrophobicContact CD1-CB 4.02Å; F185-K223 HydrophobicContact CD2-CB 3.95Å; F185-K223 HydrophobicContact CD2-CD 4.09Å; F185-K223 HydrophobicContact CD2-CG 4.38Å; F185-K223 HydrophobicContact CE1-CB 4.44Å; F185-K223 HydrophobicContact CE2-CB 4.38Å; F185-K223 HydrophobicContact CE2-CD 4.12Å; F185-K223 HydrophobicContact CE2-CG 4.41Å; F185-K223 HydrophobicContact CG-CB 3.76Å; D187-K223 PolarHBondContact OD1-N 3.28Å; D187-K223 PolarHBondContact OD2-N 3.24Å
224	E	97.6	Very high	97.4	Very high	123 Å²	123	32 Å²	32	58%	0.575	14%	0.139	S	C	*	.	S	Bend	trans	-107.6	152.2	176.7	-58	-60.9	148.9	0	0	110.5	D187 F222 P226	D187-E224 PolarHBondContact OD1-N 2.93Å; F222-E224 WeakPolarHBondContact CB-O 3.47Å; E224-P226 WeakPolarHBondContact O-CD 3.45Å; E224-P226 VanDerWaalsContact O-N 3.16Å
225	Q	97.7	Very high	97.5	Very high	69 Å²	69	32 Å²	32	32%	0.322	14%	0.138	S	C	.	.			trans	-58.9	123.3	178.4	-167.6	179.7	-86	0	0	110.7	F48 T227 D228 Y230	F48-Q225 HydrophobicContact CD1-CB 4.11Å; F48-Q225 HydrophobicContact CD2-CB 4.38Å; F48-Q225 HydrophobicContact CD2-CG 4.44Å; F48-Q225 HydrophobicContact CE1-CB 4.41Å; F48-Q225 HydrophobicContact CG-CB 4.09Å; F48-Q225 HydrophobicContact CG-CG 4.38Å; Q225-T227 WeakPolarHBondContact CG-O 3.19Å; Q225-T227 PolarHBondContact NE2-O 3.19Å; Q225-T227 PolarHBondContact O-N 2.78Å; Q225-D228 PolarHBondContact NE2-O 2.83Å; Q225-D228 VanDerWaalsContact NE2-O 3.14Å; Q225-Y230 HydrophobicContact CG-CD1 4.13Å; Q225-Y230 HydrophobicContact CG-CG 4.31Å
226	P	98.1	Very high	97.6	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.084	14%	0.144	C	C	.	.	S	Bend	trans	-71.5	-27.1	-167.8	24.6	-34.2	0	0	0	114.5	W193 F205 F222 E224 Y230	W193-P226 HydrophobicContact CZ2-CB 4.33Å; W193-P226 PolarHBondContact NE1-O 3.28Å; W193-P226 VanDerWaalsContact NE1-O 3.15Å; F205-P226 HydrophobicContact CD1-CG 4.05Å; F222-P226 HydrophobicContact CD1-CB 3.75Å; F222-P226 HydrophobicContact CD1-CG 4.27Å; F222-P226 HydrophobicContact CD2-CB 4.29Å; F222-P226 HydrophobicContact CD2-CG 3.97Å; F222-P226 HydrophobicContact CE1-CB 3.69Å; F222-P226 HydrophobicContact CE1-CG 4.39Å; F222-P226 HydrophobicContact CE2-CB 4.28Å; F222-P226 HydrophobicContact CE2-CG 4.14Å; F222-P226 HydrophobicContact CG-CB 4.05Å; F222-P226 HydrophobicContact CG-CG 4.05Å; F222-P226 HydrophobicContact CZ-CB 3.98Å; F222-P226 HydrophobicContact CZ-CG 4.34Å; E224-P226 WeakPolarHBondContact O-CD 3.45Å; E224-P226 VanDerWaalsContact O-N 3.16Å; P226-Y230 HydrophobicContact CG-CD1 4.05Å; P226-Y230 HydrophobicContact CG-CD2 4.01Å; P226-Y230 HydrophobicContact CG-CE1 4.01Å; P226-Y230 HydrophobicContact CG-CE2 4.02Å; P226-Y230 HydrophobicContact CG-CG 4.05Å
227	T	97.9	Very high	97.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	15%	0.146	C	C	.	.	S	Bend	trans	-136.8	170.2	-173.9	47.8	0	0	0	0	110.3	W193 F205 Q225 H229	W193-T227 HydrophobicContact CB-CG2 4.18Å; W193-T227 HydrophobicContact CD2-CG2 4.25Å; W193-T227 HydrophobicContact CG-CG2 3.86Å; F205-T227 HydrophobicContact CB-CG2 3.82Å; F205-T227 WeakPolarHBondContact CB-OG1 3.3Å; F205-T227 PolarHBondContact N-OG1 3.08Å; Q225-T227 WeakPolarHBondContact CG-O 3.19Å; Q225-T227 PolarHBondContact NE2-O 3.19Å; Q225-T227 PolarHBondContact O-N 2.78Å; T227-H229 VanDerWaalsContact C-N 3.26Å; T227-H229 PolarHBondContact O-N 2.96Å; T227-H229 PolarHBondContact OG1-O 3.35Å
228	D	97	Very high	97.7	Very high	8 Å²	8	27 Å²	27	4%	0.043	12%	0.12	C	C	.	.	S	Bend	trans	-65.8	-33.2	177.4	-57.3	-61.7	0	0	0	112	K95 R101 K197 T203 Q225	K95-D228 WeakPolarHBondContact CE-O 3.29Å; R101-D228 IonicContact CZ-OD1 3.35Å; R101-D228 IonicContact NH1-OD1 2.93Å; R101-D228 PolarHBondContact NH1-OD1 3.14Å; R101-D228 IonicContact NH1-OD2 3.2Å; R101-D228 PolarHBondContact NH1-OD2 2.8Å; R101-D228 IonicContact NH2-OD1 2.8Å; R101-D228 PolarHBondContact NH2-OD1 2.95Å; K197-D228 WeakPolarHBondContact CE-OD1 3.28Å; K197-D228 IonicContact NZ-OD1 2.78Å; K197-D228 PolarHBondContact NZ-OD1 2.64Å; T203-D228 PolarHBondContact N-OD2 2.93Å; T203-D228 WeakPolarHBondContact O-CB 3.43Å; T203-D228 PolarHBondContact O-N 3.43Å; T203-D228 PolarHBondContact OG1-N 3.27Å; T203-D228 PolarHBondContact OG1-OD2 3.4Å; Q225-D228 PolarHBondContact NE2-O 2.83Å; Q225-D228 VanDerWaalsContact NE2-O 3.14Å
229	H	98.3	Very high	97.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126	176.4	-61.1	-74.4	0	0	0	109.9	D71 I92 V93 T203 L204 F205 T227 Y262 F266 Y270	D71-H229 IonicContact OD1-ND1 2.76Å; D71-H229 IonicContact OD2-CE1 2.66Å; D71-H229 IonicContact OD2-CG 2.72Å; D71-H229 IonicContact OD2-ND1 3.7Å; D71-H229 PolarHBondContact OD2-ND1 3.4Å; I92-H229 HydrophobicContact CD1-CB 4.02Å; V93-H229 PolarHBondContact O-CE1 3.26Å; T203-H229 PolarHBondContact O-N 3.49Å; L204-H229 WeakPolarHBondContact CA-O 3.42Å; L204-H229 HydrophobicContact CB-CB 4.06Å; L204-H229 HydrophobicContact CD1-CB 3.98Å; L204-H229 HydrophobicContact CG-CB 3.94Å; F205-H229 PolarHBondContact N-O 2.97Å; T227-H229 VanDerWaalsContact C-N 3.26Å; T227-H229 PolarHBondContact O-N 2.96Å; T227-H229 PolarHBondContact OG1-O 3.35Å; H229-Y262 HydrophobicContact CB-CE1 4.48Å; H229-F266 AromaticContact CD2-CD2 3.72Å; H229-F266 AromaticContact CD2-CE2 3.59Å; H229-Y270 PolarHBondContact CE1-OH 3.43Å; H229-Y270 AromaticContact NE2-CE2 3.37Å; H229-Y270 WeakPolarHBondContact NE2-CE2 3.23Å; H229-Y270 AromaticContact NE2-CZ 3.47Å; H229-Y270 PolarHBondContact NE2-OH 3.18Å
230	Y	98.4	Very high	97.6	Very high	2 Å²	2	31 Å²	31	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	98.5	-174.6	-171.5	-144.8	0	0	0	112.2	F48 D51 F72 F205 Q225 P226 R232 N233	F48-Y230 HydrophobicContact CD2-CD1 4.1Å; F48-Y230 HydrophobicContact CD2-CE1 4.42Å; F48-Y230 HydrophobicContact CE2-CD1 4.34Å; F48-Y230 HydrophobicContact CE2-CE1 4.27Å; D51-Y230 WeakPolarHBondContact OD1-CE1 3.2Å; D51-Y230 PolarHBondContact OD1-OH 3.29Å; D51-Y230 VanDerWaalsContact OD1-OH 3.07Å; F72-Y230 WeakPolarHBondContact CE2-O 3.28Å; F72-Y230 VanDerWaalsContact CZ-O 3.28Å; F72-Y230 WeakPolarHBondContact CZ-O 3.48Å; F205-Y230 HydrophobicContact CB-CD2 3.95Å; F205-Y230 HydrophobicContact CB-CE2 4.28Å; F205-Y230 AromaticContact CD1-CD2 3.82Å; F205-Y230 HydrophobicContact CD1-CD2 3.82Å; F205-Y230 AromaticContact CD1-CE2 3.29Å; F205-Y230 HydrophobicContact CD1-CE2 3.29Å; F205-Y230 AromaticContact CE1-CE2 3.64Å; F205-Y230 HydrophobicContact CE1-CE2 3.64Å; F205-Y230 HydrophobicContact CG-CD2 4.02Å; F205-Y230 AromaticContact CG-CE2 3.83Å; F205-Y230 HydrophobicContact CG-CE2 3.83Å; F205-Y230 HydrophobicContact CZ-CE2 4.43Å; F205-Y230 WeakPolarHBondContact O-CA 3.46Å; F205-Y230 WeakPolarHBondContact O-CD2 3.27Å; Q225-Y230 HydrophobicContact CG-CD1 4.13Å; Q225-Y230 HydrophobicContact CG-CG 4.31Å; P226-Y230 HydrophobicContact CG-CD1 4.05Å; P226-Y230 HydrophobicContact CG-CD2 4.01Å; P226-Y230 HydrophobicContact CG-CE1 4.01Å; P226-Y230 HydrophobicContact CG-CE2 4.02Å; P226-Y230 HydrophobicContact CG-CG 4.05Å; Y230-R232 VanDerWaalsContact C-N 3.27Å; Y230-R232 HydrophobicContact CD1-CB 4.41Å; Y230-R232 HydrophobicContact CD2-CB 4.17Å; Y230-R232 HydrophobicContact CE1-CB 3.92Å; Y230-R232 HydrophobicContact CE2-CB 3.6Å; Y230-R232 VanDerWaalsContact CZ-CB 3.49Å; Y230-R232 PolarHBondContact O-N 3.11Å; Y230-R232 WeakPolarHBondContact OH-CD 3.49Å; Y230-N233 PolarHBondContact O-ND2 2.62Å
231	L	98.2	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.6	-170	-168.3	59.5	0	0	0	113.5	F72 A90 F205 A206 N233 F234 Y235 H259 Y262	F72-L231 HydrophobicContact CE1-CD1 3.69Å; F72-L231 HydrophobicContact CZ-CD1 4.32Å; A90-L231 HydrophobicContact CB-CD1 4.07Å; F205-L231 PolarHBondContact O-N 3.08Å; A206-L231 HydrophobicContact CB-CB 3.68Å; A206-L231 HydrophobicContact CB-CD2 3.76Å; A206-L231 HydrophobicContact CB-CG 4.39Å; L231-N233 PolarHBondContact O-N 3.47Å; L231-F234 HydrophobicContact CD1-CB 3.75Å; L231-F234 HydrophobicContact CD1-CD1 4.07Å; L231-F234 HydrophobicContact CD1-CG 4.12Å; L231-F234 HydrophobicContact CG-CB 4.41Å; L231-F234 WeakPolarHBondContact O-CA 3.39Å; L231-F234 WeakPolarHBondContact O-CB 3.39Å; L231-F234 PolarHBondContact O-N 2.67Å; L231-Y235 HydrophobicContact CD2-CD2 4.42Å; L231-Y235 HydrophobicContact CD2-CE2 3.57Å; L231-Y235 HydrophobicContact CG-CD2 4.11Å; L231-Y235 HydrophobicContact CG-CE2 3.71Å; L231-Y235 PolarHBondContact O-N 3.01Å; L231-H259 WeakPolarHBondContact CD2-CD2 3.42Å; L231-Y262 HydrophobicContact CB-CD1 3.93Å; L231-Y262 HydrophobicContact CB-CE1 3.73Å; L231-Y262 HydrophobicContact CD1-CD1 3.75Å; L231-Y262 HydrophobicContact CD1-CD2 3.91Å; L231-Y262 HydrophobicContact CD1-CE1 3.89Å; L231-Y262 HydrophobicContact CD1-CE2 4.05Å; L231-Y262 HydrophobicContact CD1-CG 3.76Å; L231-Y262 HydrophobicContact CD2-CD1 3.83Å; L231-Y262 HydrophobicContact CD2-CE1 4.48Å; L231-Y262 HydrophobicContact CD2-CG 4.15Å; L231-Y262 HydrophobicContact CG-CD1 4.04Å; L231-Y262 HydrophobicContact CG-CE1 4.23Å; L231-Y262 HydrophobicContact CG-CG 4.43Å
232	R	97.6	Very high	97.3	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-54.4	-34	-177.7	-164.1	-172.5	170.1	-70.1	0.3	112.8	D51 P210 T216 Y230 F234 Y235 L236	D51-R232 PolarHBondContact O-NH1 3.08Å; D51-R232 PolarHBondContact O-NH2 3.45Å; D51-R232 IonicContact OD1-NE 3.88Å; D51-R232 IonicContact OD1-NH1 3.74Å; P210-R232 HydrophobicContact CB-CG 4.13Å; P210-R232 PolarHBondContact O-NH2 3.37Å; T216-R232 PolarHBondContact OG1-NE 2.87Å; T216-R232 PolarHBondContact OG1-NH2 2.91Å; Y230-R232 VanDerWaalsContact C-N 3.27Å; Y230-R232 HydrophobicContact CD1-CB 4.41Å; Y230-R232 HydrophobicContact CD2-CB 4.17Å; Y230-R232 HydrophobicContact CE1-CB 3.92Å; Y230-R232 HydrophobicContact CE2-CB 3.6Å; Y230-R232 VanDerWaalsContact CZ-CB 3.49Å; Y230-R232 PolarHBondContact O-N 3.11Å; Y230-R232 WeakPolarHBondContact OH-CD 3.49Å; R232-F234 VanDerWaalsContact C-N 3.29Å; R232-F234 PolarHBondContact O-N 2.82Å; R232-Y235 PolarHBondContact O-N 2.86Å; R232-L236 PolarHBondContact O-N 3.44Å
233	N	97.2	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-39.6	175.4	-61.7	-50.6	0	0	0	113.1	F48 V54 F72 Y230 L231 K237	F48-N233 WeakPolarHBondContact CD2-OD1 3.25Å; V54-N233 HydrophobicContact CG1-CB 3.99Å; V54-N233 WeakPolarHBondContact CG1-O 3.35Å; F72-N233 HydrophobicContact CD2-CB 3.99Å; F72-N233 HydrophobicContact CE2-CB 3.79Å; Y230-N233 PolarHBondContact O-ND2 2.62Å; L231-N233 PolarHBondContact O-N 3.47Å; N233-K237 PolarHBondContact O-N 3.08Å
234	F	98.4	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-51.8	176.2	175	-107.7	0	0	0	110.6	F46 F72 N88 H89 A90 L231 R232 L236 K237 V238 L250 V258	F46-F234 HydrophobicContact CZ-CD2 4.26Å; F72-F234 HydrophobicContact CB-CD2 4.47Å; F72-F234 HydrophobicContact CD1-CB 3.69Å; F72-F234 HydrophobicContact CD1-CD2 4.15Å; F72-F234 HydrophobicContact CD1-CG 4.26Å; F72-F234 HydrophobicContact CE1-CB 3.89Å; F72-F234 HydrophobicContact CG-CB 4.09Å; F72-F234 HydrophobicContact CZ-CB 4.45Å; N88-F234 HydrophobicContact CB-CD2 4.49Å; N88-F234 HydrophobicContact CB-CE2 3.68Å; N88-F234 HydrophobicContact CB-CZ 4.24Å; H89-F234 VanDerWaalsContact C-CE2 3.44Å; A90-F234 HydrophobicContact CB-CD1 4.46Å; A90-F234 HydrophobicContact CB-CD2 3.92Å; A90-F234 HydrophobicContact CB-CE2 4.07Å; A90-F234 HydrophobicContact CB-CG 4.13Å; A90-F234 HydrophobicContact CB-CZ 4.41Å; L231-F234 HydrophobicContact CD1-CB 3.75Å; L231-F234 HydrophobicContact CD1-CD1 4.07Å; L231-F234 HydrophobicContact CD1-CG 4.12Å; L231-F234 HydrophobicContact CG-CB 4.41Å; L231-F234 WeakPolarHBondContact O-CA 3.39Å; L231-F234 WeakPolarHBondContact O-CB 3.39Å; L231-F234 PolarHBondContact O-N 2.67Å; R232-F234 VanDerWaalsContact C-N 3.29Å; R232-F234 PolarHBondContact O-N 2.82Å; F234-L236 VanDerWaalsContact C-N 3.34Å; F234-L236 PolarHBondContact O-N 3.23Å; F234-K237 PolarHBondContact O-N 2.74Å; F234-K237 VanDerWaalsContact O-N 3.11Å; F234-V238 HydrophobicContact CD1-CG2 4.22Å; F234-V238 HydrophobicContact CD2-CG2 4.36Å; F234-V238 HydrophobicContact CE1-CG2 3.85Å; F234-V238 HydrophobicContact CE2-CG2 3.98Å; F234-V238 HydrophobicContact CG-CG2 4.46Å; F234-V238 HydrophobicContact CZ-CG2 3.71Å; F234-V238 WeakPolarHBondContact O-CG2 3.49Å; F234-V238 PolarHBondContact O-N 2.93Å; F234-L250 HydrophobicContact CE1-CD1 3.68Å; F234-L250 HydrophobicContact CZ-CD1 3.72Å; F234-L250 HydrophobicContact CZ-CD2 4.31Å; F234-V258 HydrophobicContact CE1-CG1 4.06Å; F234-V258 HydrophobicContact CZ-CG1 4.28Å
235	Y	97.9	Very high	96.4	Very high	6 Å²	6	43.1 Å²	43.1	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-68	-32.1	-178.7	-68.2	-62.6	0	0	0	113.3	E207 D208 L231 R232 K237 V238 E239 Q255 H259	E207-Y235 WeakPolarHBondContact O-CD2 3.26Å; D208-Y235 VanDerWaalsContact CA-CD2 3.47Å; D208-Y235 HydrophobicContact CB-CD1 4.46Å; D208-Y235 HydrophobicContact CB-CD2 3.73Å; D208-Y235 HydrophobicContact CB-CE1 4.4Å; D208-Y235 HydrophobicContact CB-CE2 3.58Å; D208-Y235 HydrophobicContact CB-CG 4.16Å; L231-Y235 HydrophobicContact CD2-CD2 4.42Å; L231-Y235 HydrophobicContact CD2-CE2 3.57Å; L231-Y235 HydrophobicContact CG-CD2 4.11Å; L231-Y235 HydrophobicContact CG-CE2 3.71Å; L231-Y235 PolarHBondContact O-N 3.01Å; R232-Y235 PolarHBondContact O-N 2.86Å; Y235-K237 VanDerWaalsContact C-N 3.28Å; Y235-K237 PolarHBondContact O-N 3.1Å; Y235-V238 PolarHBondContact O-N 2.85Å; Y235-E239 PolarHBondContact O-N 2.81Å; Y235-Q255 HydrophobicContact CE1-CG 3.58Å; Y235-Q255 PolarHBondContact OH-NE2 3.23Å; Y235-H259 VanDerWaalsContact OH-CB 3.25Å; Y235-H259 WeakPolarHBondContact OH-CB 3.43Å
236	L	97.5	Very high	95.9	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.147	18%	0.176	C	C	.	.	H	α-helix	trans	-56.6	-45.1	170.2	-84.8	178.2	0	0	0	111.6	V54 P210 R232 F234 R240	V54-L236 HydrophobicContact CG1-CB 4.28Å; V54-L236 HydrophobicContact CG1-CD1 4.32Å; P210-L236 HydrophobicContact CB-CD2 3.7Å; P210-L236 HydrophobicContact CB-CG 3.93Å; P210-L236 HydrophobicContact CG-CD2 4.03Å; P210-L236 HydrophobicContact CG-CG 4.28Å; R232-L236 PolarHBondContact O-N 3.44Å; F234-L236 VanDerWaalsContact C-N 3.34Å; F234-L236 PolarHBondContact O-N 3.23Å; L236-R240 WeakPolarHBondContact O-CB 3.32Å; L236-R240 PolarHBondContact O-N 3.26Å
237	K	97.7	Very high	95.6	Very high	11 Å²	11	40.3 Å²	40.3	5%	0.048	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-39.9	180	-171.5	60.2	163.5	76.4	0	111.7	F46 V54 N233 F234 Y235 R240 D241	F46-K237 HydrophobicContact CD1-CG 4.1Å; F46-K237 HydrophobicContact CD2-CB 4.14Å; F46-K237 HydrophobicContact CD2-CG 4.31Å; F46-K237 HydrophobicContact CE1-CB 4.18Å; F46-K237 HydrophobicContact CE1-CG 3.72Å; F46-K237 HydrophobicContact CE2-CB 3.52Å; F46-K237 HydrophobicContact CE2-CG 3.95Å; F46-K237 HydrophobicContact CG-CG 4.37Å; F46-K237 HydrophobicContact CZ-CB 3.54Å; F46-K237 HydrophobicContact CZ-CG 3.63Å; V54-K237 HydrophobicContact CG2-CB 4.32Å; V54-K237 HydrophobicContact CG2-CD 3.93Å; N233-K237 PolarHBondContact O-N 3.08Å; F234-K237 PolarHBondContact O-N 2.74Å; F234-K237 VanDerWaalsContact O-N 3.11Å; Y235-K237 VanDerWaalsContact C-N 3.28Å; Y235-K237 PolarHBondContact O-N 3.1Å; K237-R240 PolarHBondContact O-N 3.04Å; K237-D241 IonicContact NZ-OD1 2.79Å; K237-D241 PolarHBondContact NZ-OD1 3.2Å; K237-D241 IonicContact NZ-OD2 3.06Å; K237-D241 PolarHBondContact NZ-OD2 3.36Å; K237-D241 VanDerWaalsContact O-CB 3.3Å; K237-D241 WeakPolarHBondContact O-CB 3.34Å; K237-D241 PolarHBondContact O-N 3.11Å
238	V	97.4	Very high	95.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-56.6	176.5	169.5	0	0	0	0	110.5	N88 F234 Y235 R240 D241 T242 P247 L250	N88-V238 HydrophobicContact CB-CG2 3.8Å; F234-V238 HydrophobicContact CD1-CG2 4.22Å; F234-V238 HydrophobicContact CD2-CG2 4.36Å; F234-V238 HydrophobicContact CE1-CG2 3.85Å; F234-V238 HydrophobicContact CE2-CG2 3.98Å; F234-V238 HydrophobicContact CG-CG2 4.46Å; F234-V238 HydrophobicContact CZ-CG2 3.71Å; F234-V238 WeakPolarHBondContact O-CG2 3.49Å; F234-V238 PolarHBondContact O-N 2.93Å; Y235-V238 PolarHBondContact O-N 2.85Å; V238-R240 VanDerWaalsContact C-N 3.25Å; V238-R240 PolarHBondContact O-N 3.11Å; V238-D241 PolarHBondContact O-N 3.32Å; V238-T242 HydrophobicContact CG1-CG2 4.32Å; V238-T242 PolarHBondContact O-N 2.76Å; V238-T242 PolarHBondContact O-OG1 3.28Å; V238-P247 HydrophobicContact CG1-CB 4.48Å; V238-P247 HydrophobicContact CG1-CG 3.46Å; V238-P247 VanDerWaalsContact CG1-CG 3.46Å; V238-L250 HydrophobicContact CB-CD2 4.5Å; V238-L250 HydrophobicContact CG1-CD2 3.74Å; V238-L250 HydrophobicContact CG2-CD2 3.85Å
239	E	96.1	Very high	95.2	Very high	32 Å²	32	43.2 Å²	43.2	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-38.5	-179.5	-70.9	-166.6	166.4	0	0	111.7	P210 Y235 R243 N246	P210-E239 WeakPolarHBondContact CD-OE1 2.91Å; P210-E239 HydrophobicContact CG-CG 4.23Å; P210-E239 WeakPolarHBondContact CG-OE2 3.21Å; Y235-E239 PolarHBondContact O-N 2.81Å; E239-R243 WeakPolarHBondContact O-CA 3.34Å; E239-R243 PolarHBondContact O-N 3.47Å; E239-N246 PolarHBondContact OE1-N 3.32Å
240	R	95.8	Very high	95	Very high	172 Å²	172	43.5 Å²	43.5	65%	0.649	19%	0.194	S	C	*	.	H	α-helix	trans	-64.8	-41.9	176.1	-179.3	178.7	178	-177.6	1.1	112.7	L236 K237 V238	L236-R240 WeakPolarHBondContact O-CB 3.32Å; L236-R240 PolarHBondContact O-N 3.26Å; K237-R240 PolarHBondContact O-N 3.04Å; V238-R240 VanDerWaalsContact C-N 3.25Å; V238-R240 PolarHBondContact O-N 3.11Å
241	D	95.7	Very high	94.8	Very high	49 Å²	49	44.8 Å²	44.8	26%	0.262	21%	0.208	S	C	.	.	H	α-helix	trans	-77.7	-39.5	-175	-83.7	5.7	0	0	0	112.7	K74 K237 V238	K74-D241 VanDerWaalsContact CD-OD2 3.3Å; K74-D241 WeakPolarHBondContact CD-OD2 3.47Å; K74-D241 WeakPolarHBondContact CE-OD2 3.48Å; K74-D241 IonicContact NZ-OD1 2.9Å; K74-D241 IonicContact NZ-OD2 2.68Å; K74-D241 PolarHBondContact NZ-OD2 3.12Å; K237-D241 IonicContact NZ-OD1 2.79Å; K237-D241 PolarHBondContact NZ-OD1 3.2Å; K237-D241 IonicContact NZ-OD2 3.06Å; K237-D241 PolarHBondContact NZ-OD2 3.36Å; K237-D241 VanDerWaalsContact O-CB 3.3Å; K237-D241 WeakPolarHBondContact O-CB 3.34Å; K237-D241 PolarHBondContact O-N 3.11Å; V238-D241 PolarHBondContact O-N 3.32Å
242	T	93.6	Very high	94.6	Very high	56 Å²	56	46.7 Å²	46.7	34%	0.344	22%	0.221	S	C	.	.	H	α-helix	trans	-79.9	-25.1	176.6	61.7	0	0	0	0	111.6	V238 E244	V238-T242 HydrophobicContact CG1-CG2 4.32Å; V238-T242 PolarHBondContact O-N 2.76Å; V238-T242 PolarHBondContact O-OG1 3.28Å; T242-E244 PolarHBondContact O-N 2.85Å; T242-E244 PolarHBondContact OG1-N 3.46Å
243	R	93.5	Very high	94.4	Very high	230 Å²	230	48.6 Å²	48.6	87%	0.868	23%	0.23	S	C	*	.			trans	58.7	25.5	-168.1	-51.3	178.9	-179.9	174.9	0	112.3	E239	E239-R243 WeakPolarHBondContact O-CA 3.34Å; E239-R243 PolarHBondContact O-N 3.47Å
244	E	91.3	Very high	94.2	Very high	112 Å²	112	49 Å²	49	52%	0.523	23%	0.233	S	C	.	.			trans	-109.9	132	178.6	-65.2	177.1	-179.4	0	0	108.9	T242 P247	T242-E244 PolarHBondContact O-N 2.85Å; T242-E244 PolarHBondContact OG1-N 3.46Å; E244-P247 HydrophobicContact CB-CB 4.26Å
245	Y	88.9	Confident	94	Very high	111 Å²	111	49.2 Å²	49.2	44%	0.435	23%	0.234	S	C	.	.	S	Bend	trans	-73.2	130.3	166.4	163.8	-100.5	0	0	0	108.7	V209 S211 D288	V209-Y245 HydrophobicContact CG1-CD2 4.27Å; V209-Y245 HydrophobicContact CG1-CE2 3.49Å; V209-Y245 VanDerWaalsContact CG1-CE2 3.49Å; S211-Y245 VanDerWaalsContact OG-CD2 3.3Å; S211-Y245 WeakPolarHBondContact OG-CD2 3.45Å; S211-Y245 WeakPolarHBondContact OG-CE2 3.3Å; Y245-D288 WeakPolarHBondContact CE1-OD2 3.3Å; Y245-D288 PolarHBondContact OH-OD1 3.49Å; Y245-D288 PolarHBondContact OH-OD2 2.92Å
246	N	87.7	Confident	93.7	Very high	14 Å²	14	51.1 Å²	51.1	8%	0.075	24%	0.242	C	C	.	.	S	Bend	trans	50.1	59.1	176.2	-173.5	19.3	0	0	0	114	V209 E239 L248 G284	V209-N246 HydrophobicContact CG1-CB 4.19Å; V209-N246 HydrophobicContact CG2-CB 4.2Å; E239-N246 PolarHBondContact OE1-N 3.32Å; N246-L248 PolarHBondContact O-N 2.99Å; N246-G284 WeakPolarHBondContact ND2-CA 3.43Å; N246-G284 PolarHBondContact ND2-O 3.39Å; N246-G284 WeakPolarHBondContact OD1-CA 3.36Å
247	P	91	Very high	93.4	Very high	9 Å²	9	55.2 Å²	55.2	6%	0.058	26%	0.258	C	S	.	.			trans	-67.3	116.3	177.7	25.8	-29.2	0	0	0	110.2	V238 E244 C249 Q255	V238-P247 HydrophobicContact CG1-CB 4.48Å; V238-P247 HydrophobicContact CG1-CG 3.46Å; V238-P247 VanDerWaalsContact CG1-CG 3.46Å; E244-P247 HydrophobicContact CB-CB 4.26Å; P247-C249 VanDerWaalsContact C-N 3.28Å; P247-C249 PolarHBondContact O-N 2.97Å; P247-Q255 WeakPolarHBondContact O-CB 3.35Å
248	L	91.8	Very high	93.3	Very high	32 Å²	32	55.4 Å²	55.4	17%	0.168	26%	0.26	C	S	.	.			trans	-79.9	-8.9	-176	-58.3	-179	0	0	0	113.3	L10 N246 S254 Q255 Y285	L10-L248 HydrophobicContact CD1-CB 3.83Å; L10-L248 HydrophobicContact CD1-CD1 3.97Å; L10-L248 HydrophobicContact CD2-CB 4Å; L10-L248 VanDerWaalsContact CD2-O 3.25Å; L10-L248 WeakPolarHBondContact CD2-O 3.44Å; N246-L248 PolarHBondContact O-N 2.99Å; L248-S254 WeakPolarHBondContact O-CA 3.44Å; L248-Q255 WeakPolarHBondContact O-CB 3.4Å; L248-Q255 PolarHBondContact O-N 3.06Å; L248-Y285 HydrophobicContact CD2-CD2 4.19Å; L248-Y285 HydrophobicContact CD2-CE1 4.26Å; L248-Y285 HydrophobicContact CD2-CE2 3.74Å; L248-Y285 PolarHBondContact O-OH 2.9Å
249	C	94.3	Very high	93.2	Very high	37 Å²	37	55.3 Å²	55.3	25%	0.25	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.9	180	-64.8	0	0	0	0	111	L10 C12 P247 E253	L10-C249 VanDerWaalsContact CD2-SG 3.6Å; C12-C249 WeakPolarHBondContact CA-SG 3.3Å; C12-C249 HydrophobicContact CB-CB 3.73Å; C12-C249 WeakPolarHBondContact CB-SG 3.45Å; C12-C249 WeakPolarHBondContact SG-CB 3.29Å; C12-C249 CovalentContact SG-SG 2.05Å; C12-C249 PolarHBondContact SG-SG 3.4Å; P247-C249 VanDerWaalsContact C-N 3.28Å; P247-C249 PolarHBondContact O-N 2.97Å; C249-E253 CarbonylContact C-O 3.59Å; C249-E253 WeakPolarHBondContact CA-O 3.45Å
250	L	95	Very high	93.3	Very high	7 Å²	7	54 Å²	54	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	80	173.6	-68	166.2	0	0	0	107.8	N17 N87 F234 V238 S252 E253 V258	N17-L250 PolarHBondContact ND2-O 3.22Å; N87-L250 VanDerWaalsContact ND2-C 3.28Å; N87-L250 PolarHBondContact ND2-O 3.18Å; F234-L250 HydrophobicContact CE1-CD1 3.68Å; F234-L250 HydrophobicContact CZ-CD1 3.72Å; F234-L250 HydrophobicContact CZ-CD2 4.31Å; V238-L250 HydrophobicContact CB-CD2 4.5Å; V238-L250 HydrophobicContact CG1-CD2 3.74Å; V238-L250 HydrophobicContact CG2-CD2 3.85Å; L250-S252 PolarHBondContact O-N 3.41Å; L250-E253 PolarHBondContact N-O 3.11Å; L250-E253 PolarHBondContact O-N 2.91Å; L250-V258 HydrophobicContact CB-CG2 4.41Å; L250-V258 HydrophobicContact CD1-CB 3.81Å; L250-V258 HydrophobicContact CD1-CG1 3.71Å; L250-V258 HydrophobicContact CD1-CG2 3.75Å
251	G	94.1	Very high	93.3	Very high	30 Å²	30	47.9 Å²	47.9	31%	0.309	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	-121.5	-168.7	0	0	0	0	0	110.7	C12 S13 E253	C12-G251 WeakPolarHBondContact CB-O 3.36Å; S13-G251 VanDerWaalsContact CB-O 3.31Å; S13-G251 WeakPolarHBondContact CB-O 3.19Å; S13-G251 PolarHBondContact N-O 3.31Å; G251-E253 VanDerWaalsContact C-N 3.34Å
252	S	94.2	Very high	93.4	Very high	40 Å²	40	45.6 Å²	45.6	28%	0.28	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.8	178.9	57	0	0	0	0	114.6	S13 E15 N17 L250	S13-S252 VanDerWaalsContact O-CA 3.29Å; S13-S252 WeakPolarHBondContact O-CA 3.36Å; S13-S252 WeakPolarHBondContact O-CB 3.33Å; E15-S252 WeakPolarHBondContact O-CB 3.29Å; N17-S252 PolarHBondContact N-OG 3.4Å; L250-S252 PolarHBondContact O-N 3.41Å
253	E	94.2	Very high	93.7	Very high	44 Å²	44	43 Å²	43	21%	0.206	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.3	-175.9	-67.3	179.6	104.6	0	0	111.1	N17 C249 L250 G251 V258	N17-E253 PolarHBondContact ND2-OE2 2.68Å; C249-E253 CarbonylContact C-O 3.59Å; C249-E253 WeakPolarHBondContact CA-O 3.45Å; L250-E253 PolarHBondContact N-O 3.11Å; L250-E253 PolarHBondContact O-N 2.91Å; G251-E253 VanDerWaalsContact C-N 3.34Å; E253-V258 HydrophobicContact CB-CG2 3.97Å
254	S	93.3	Very high	93.9	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.063	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	148.3	170.4	62	0	0	0	0	110.6	L248 Y256 K257 V258	L248-S254 WeakPolarHBondContact O-CA 3.44Å; S254-Y256 VanDerWaalsContact C-N 3.27Å; S254-Y256 VanDerWaalsContact CB-CD1 3.48Å; S254-Y256 PolarHBondContact O-N 2.55Å; S254-Y256 VanDerWaalsContact OG-CD1 3.27Å; S254-Y256 WeakPolarHBondContact OG-CD1 3.18Å; S254-Y256 WeakPolarHBondContact OG-CE1 3.35Å; S254-Y256 WeakPolarHBondContact OG-CE2 3.42Å; S254-K257 PolarHBondContact O-N 2.94Å; S254-K257 VanDerWaalsContact O-N 3.15Å; S254-K257 VanDerWaalsContact OG-CB 3.26Å; S254-K257 WeakPolarHBondContact OG-CB 3.35Å; S254-K257 PolarHBondContact OG-N 3.16Å; S254-V258 PolarHBondContact O-N 2.85Å
255	Q	93.4	Very high	94.1	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-59.2	-40.3	176.6	-178.6	-81.8	-3.2	0	0	111.1	D208 Y235 P247 L248 K257 V258 H259 Y285	D208-Q255 PolarHBondContact OD2-NE2 3.25Å; Y235-Q255 HydrophobicContact CE1-CG 3.58Å; Y235-Q255 PolarHBondContact OH-NE2 3.23Å; P247-Q255 WeakPolarHBondContact O-CB 3.35Å; L248-Q255 WeakPolarHBondContact O-CB 3.4Å; L248-Q255 PolarHBondContact O-N 3.06Å; Q255-K257 PolarHBondContact O-N 2.92Å; Q255-V258 PolarHBondContact O-N 3Å; Q255-H259 PolarHBondContact NE2-ND1 2.81Å; Q255-H259 WeakPolarHBondContact O-CB 3.35Å; Q255-H259 PolarHBondContact O-N 3.1Å; Q255-Y285 HydrophobicContact CB-CE2 4.2Å
256	Y	90.5	Very high	94.6	Very high	47 Å²	47	24.1 Å²	24.1	18%	0.184	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-37.1	179.3	69.8	-105.5	0	0	0	111.6	S254 H259 L260 Y285 P299	S254-Y256 VanDerWaalsContact C-N 3.27Å; S254-Y256 VanDerWaalsContact CB-CD1 3.48Å; S254-Y256 PolarHBondContact O-N 2.55Å; S254-Y256 VanDerWaalsContact OG-CD1 3.27Å; S254-Y256 WeakPolarHBondContact OG-CD1 3.18Å; S254-Y256 WeakPolarHBondContact OG-CE1 3.35Å; S254-Y256 WeakPolarHBondContact OG-CE2 3.42Å; Y256-H259 PolarHBondContact O-N 3.05Å; Y256-L260 HydrophobicContact CD2-CD1 4.35Å; Y256-L260 WeakPolarHBondContact O-CB 3.22Å; Y256-L260 VanDerWaalsContact O-CG 3.27Å; Y256-L260 WeakPolarHBondContact O-CG 3.26Å; Y256-L260 PolarHBondContact O-N 2.82Å; Y256-Y285 HydrophobicContact CD1-CD1 4.49Å; Y256-Y285 AromaticContact CD1-CE1 3.75Å; Y256-Y285 HydrophobicContact CD1-CE1 3.75Å; Y256-Y285 HydrophobicContact CD1-CE2 4.27Å; Y256-Y285 AromaticContact CD1-CZ 3.61Å; Y256-Y285 HydrophobicContact CE1-CE1 4.49Å; Y256-P299 HydrophobicContact CD2-CB 3.61Å; Y256-P299 HydrophobicContact CD2-CG 3.84Å; Y256-P299 HydrophobicContact CE1-CG 4.47Å; Y256-P299 HydrophobicContact CE2-CB 3.27Å; Y256-P299 HydrophobicContact CE2-CG 3.09Å; Y256-P299 VanDerWaalsContact CZ-CG 3.45Å
257	K	92.1	Very high	94.9	Very high	114 Å²	114	23.8 Å²	23.8	50%	0.496	13%	0.133	S	C	.	.	H	α-helix	trans	-71.7	-43.1	-177.7	-176	177.1	178.9	-178.9	0	110.1	S254 Q255 H259 L260 S261	S254-K257 PolarHBondContact O-N 2.94Å; S254-K257 VanDerWaalsContact O-N 3.15Å; S254-K257 VanDerWaalsContact OG-CB 3.26Å; S254-K257 WeakPolarHBondContact OG-CB 3.35Å; S254-K257 PolarHBondContact OG-N 3.16Å; Q255-K257 PolarHBondContact O-N 2.92Å; K257-H259 VanDerWaalsContact C-N 3.27Å; K257-H259 PolarHBondContact O-N 3.43Å; K257-L260 PolarHBondContact O-N 2.9Å; K257-S261 VanDerWaalsContact O-CB 3.22Å; K257-S261 WeakPolarHBondContact O-CB 3.42Å; K257-S261 PolarHBondContact O-N 2.87Å; K257-S261 PolarHBondContact O-OG 2.88Å; K257-S261 VanDerWaalsContact O-OG 3.11Å
258	V	95.3	Very high	95.1	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.085	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-38.6	173.6	175.2	0	0	0	0	111.3	F234 L250 E253 S254 Q255 S261 Y262	F234-V258 HydrophobicContact CE1-CG1 4.06Å; F234-V258 HydrophobicContact CZ-CG1 4.28Å; L250-V258 HydrophobicContact CB-CG2 4.41Å; L250-V258 HydrophobicContact CD1-CB 3.81Å; L250-V258 HydrophobicContact CD1-CG1 3.71Å; L250-V258 HydrophobicContact CD1-CG2 3.75Å; E253-V258 HydrophobicContact CB-CG2 3.97Å; S254-V258 PolarHBondContact O-N 2.85Å; Q255-V258 PolarHBondContact O-N 3Å; V258-S261 WeakPolarHBondContact CA-OG 3.42Å; V258-S261 PolarHBondContact O-OG 3.29Å; V258-S261 VanDerWaalsContact O-OG 3.08Å; V258-Y262 PolarHBondContact O-N 3.05Å
259	H	96.5	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-49.2	179.3	-159.8	163.6	0	0	0	111.3	A206 D208 L231 Y235 Q255 Y256 K257 Y262 Q280 I281 H282	A206-H259 PolarHBondContact O-NE2 2.9Å; D208-H259 IonicContact OD1-CE1 2.68Å; D208-H259 IonicContact OD2-ND1 3.85Å; L231-H259 WeakPolarHBondContact CD2-CD2 3.42Å; Y235-H259 VanDerWaalsContact OH-CB 3.25Å; Y235-H259 WeakPolarHBondContact OH-CB 3.43Å; Q255-H259 PolarHBondContact NE2-ND1 2.81Å; Q255-H259 WeakPolarHBondContact O-CB 3.35Å; Q255-H259 PolarHBondContact O-N 3.1Å; Y256-H259 PolarHBondContact O-N 3.05Å; K257-H259 VanDerWaalsContact C-N 3.27Å; K257-H259 PolarHBondContact O-N 3.43Å; H259-Y262 WeakPolarHBondContact O-CB 3.46Å; H259-Y262 PolarHBondContact O-N 3.35Å; H259-Q280 PolarHBondContact CD2-NE2 2.96Å; H259-Q280 PolarHBondContact O-NE2 3.01Å; H259-I281 PolarHBondContact CE1-O 3.43Å; H259-H282 AromaticContact CE1-ND1 3.87Å; H259-H282 AromaticContact CG-CE1 3.54Å; H259-H282 AromaticContact CG-ND1 3.74Å; H259-H282 AromaticContact ND1-CE1 3.59Å; H259-H282 AromaticContact ND1-ND1 3.27Å; H259-H282 PolarHBondContact ND1-ND1 3.12Å
260	L	97.1	Very high	95.1	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-44.8	176.1	-69.7	169.1	0	0	0	111.8	L117 Y256 K257 Y262 V263 E264 P299 H303	L117-L260 HydrophobicContact CD1-CD2 4.29Å; Y256-L260 HydrophobicContact CD2-CD1 4.35Å; Y256-L260 WeakPolarHBondContact O-CB 3.22Å; Y256-L260 VanDerWaalsContact O-CG 3.27Å; Y256-L260 WeakPolarHBondContact O-CG 3.26Å; Y256-L260 PolarHBondContact O-N 2.82Å; K257-L260 PolarHBondContact O-N 2.9Å; L260-Y262 PolarHBondContact O-N 3.18Å; L260-V263 PolarHBondContact O-N 2.97Å; L260-E264 PolarHBondContact O-N 3.3Å; L260-P299 HydrophobicContact CD1-CB 4.19Å; L260-H303 HydrophobicContact CD1-CB 4.24Å; L260-H303 HydrophobicContact CD2-CB 4.23Å; L260-H303 PolarHBondContact O-CE1 2.98Å; L260-H303 VanDerWaalsContact O-CE1 3.29Å
261	S	96.6	Very high	94.8	Very high	42 Å²	42	27.3 Å²	27.3	29%	0.294	15%	0.154	S	C	.	.	H	α-helix	trans	-65	-27.3	-178.2	71.1	0	0	0	0	112.8	K257 V258 V263 E264 D265	K257-S261 VanDerWaalsContact O-CB 3.22Å; K257-S261 WeakPolarHBondContact O-CB 3.42Å; K257-S261 PolarHBondContact O-N 2.87Å; K257-S261 PolarHBondContact O-OG 2.88Å; K257-S261 VanDerWaalsContact O-OG 3.11Å; V258-S261 WeakPolarHBondContact CA-OG 3.42Å; V258-S261 PolarHBondContact O-OG 3.29Å; V258-S261 VanDerWaalsContact O-OG 3.08Å; S261-V263 VanDerWaalsContact C-N 3.26Å; S261-V263 PolarHBondContact O-N 2.92Å; S261-E264 PolarHBondContact O-N 3.14Å; S261-D265 VanDerWaalsContact O-CB 3.27Å; S261-D265 WeakPolarHBondContact O-CB 3.2Å; S261-D265 PolarHBondContact O-N 3.28Å
262	Y	98.2	Very high	94.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-36.7	173.4	-172.9	-112.4	0	0	0	112.3	D71 F72 A90 T91 I92 L204 A206 H229 L231 V258 H259 L260 F266	D71-Y262 HydrophobicContact CB-CE2 4.44Å; D71-Y262 PolarHBondContact OD2-OH 3.25Å; F72-Y262 AromaticContact CE1-CE2 3.67Å; F72-Y262 HydrophobicContact CE1-CE2 3.67Å; F72-Y262 AromaticContact CE1-CZ 3.76Å; F72-Y262 HydrophobicContact CZ-CE2 4.31Å; F72-Y262 AromaticContact CZ-CZ 3.95Å; F72-Y262 WeakPolarHBondContact CZ-OH 3.4Å; A90-Y262 HydrophobicContact CB-CD2 4Å; A90-Y262 HydrophobicContact CB-CE2 4.35Å; T91-Y262 WeakPolarHBondContact O-CE2 3.29Å; I92-Y262 HydrophobicContact CD1-CD1 4.41Å; I92-Y262 HydrophobicContact CD1-CD2 3.95Å; I92-Y262 HydrophobicContact CD1-CE1 3.91Å; I92-Y262 HydrophobicContact CD1-CE2 3.37Å; I92-Y262 HydrophobicContact CD1-CG 4.43Å; I92-Y262 HydrophobicContact CG1-CD2 4.26Å; I92-Y262 HydrophobicContact CG1-CE2 4.04Å; L204-Y262 HydrophobicContact CD1-CD1 3.83Å; L204-Y262 HydrophobicContact CD1-CE1 3.62Å; L204-Y262 HydrophobicContact CG-CD1 4.48Å; L204-Y262 HydrophobicContact CG-CE1 4.07Å; A206-Y262 HydrophobicContact CB-CD1 4.33Å; H229-Y262 HydrophobicContact CB-CE1 4.48Å; L231-Y262 HydrophobicContact CB-CD1 3.93Å; L231-Y262 HydrophobicContact CB-CE1 3.73Å; L231-Y262 HydrophobicContact CD1-CD1 3.75Å; L231-Y262 HydrophobicContact CD1-CD2 3.91Å; L231-Y262 HydrophobicContact CD1-CE1 3.89Å; L231-Y262 HydrophobicContact CD1-CE2 4.05Å; L231-Y262 HydrophobicContact CD1-CG 3.76Å; L231-Y262 HydrophobicContact CD2-CD1 3.83Å; L231-Y262 HydrophobicContact CD2-CE1 4.48Å; L231-Y262 HydrophobicContact CD2-CG 4.15Å; L231-Y262 HydrophobicContact CG-CD1 4.04Å; L231-Y262 HydrophobicContact CG-CE1 4.23Å; L231-Y262 HydrophobicContact CG-CG 4.43Å; V258-Y262 PolarHBondContact O-N 3.05Å; H259-Y262 WeakPolarHBondContact O-CB 3.46Å; H259-Y262 PolarHBondContact O-N 3.35Å; L260-Y262 PolarHBondContact O-N 3.18Å; Y262-F266 WeakPolarHBondContact O-CB 3.3Å; Y262-F266 PolarHBondContact O-N 3.19Å; Y262-F266 VanDerWaalsContact O-N 3.14Å
263	V	98.2	Very high	93.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76.3	-39.4	174.4	179.9	0	0	0	0	111	Y115 L204 L260 S261 D265 F266 F267 A278 Q280 F307	Y115-V263 HydrophobicContact CD2-CG1 4.24Å; Y115-V263 HydrophobicContact CE1-CG1 4.37Å; Y115-V263 HydrophobicContact CE2-CG1 3.88Å; Y115-V263 HydrophobicContact CE2-CG2 4.46Å; L204-V263 HydrophobicContact CD1-CG2 4.47Å; L204-V263 HydrophobicContact CD2-CG2 3.88Å; L260-V263 PolarHBondContact O-N 2.97Å; S261-V263 VanDerWaalsContact C-N 3.26Å; S261-V263 PolarHBondContact O-N 2.92Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 PolarHBondContact O-N 3.15Å; V263-F266 WeakPolarHBondContact O-CB 3.19Å; V263-F266 PolarHBondContact O-N 2.97Å; V263-F266 VanDerWaalsContact O-N 3.12Å; V263-F267 HydrophobicContact CG1-CD2 3.74Å; V263-F267 HydrophobicContact CG1-CE2 3.71Å; V263-F267 VanDerWaalsContact O-CD2 3.29Å; V263-F267 WeakPolarHBondContact O-CD2 3.41Å; V263-F267 PolarHBondContact O-N 3.45Å; V263-A278 HydrophobicContact CG1-CB 4.08Å; V263-Q280 HydrophobicContact CG2-CB 4.16Å; V263-Q280 HydrophobicContact CG2-CG 4.34Å; V263-F307 HydrophobicContact CG1-CZ 4.23Å
264	E	97.5	Very high	93.6	Very high	49 Å²	49	37 Å²	37	23%	0.229	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-47.2	174	-61.3	173.7	-175.1	0	0	111.4	L260 S261 F266 F267 T268 H303 F306	L260-E264 PolarHBondContact O-N 3.3Å; S261-E264 PolarHBondContact O-N 3.14Å; E264-F266 VanDerWaalsContact C-N 3.27Å; E264-F266 PolarHBondContact O-N 3.18Å; E264-F267 PolarHBondContact O-N 3.15Å; E264-F267 VanDerWaalsContact O-N 3.12Å; E264-T268 PolarHBondContact O-N 2.88Å; E264-T268 PolarHBondContact O-OG1 2.87Å; E264-H303 VanDerWaalsContact CG-ND1 3.34Å; E264-H303 WeakPolarHBondContact CG-ND1 3.17Å; E264-H303 IonicContact OE1-CE1 3.83Å; E264-H303 IonicContact OE1-CG 3.99Å; E264-H303 IonicContact OE1-ND1 3.9Å; E264-H303 PolarHBondContact OE1-ND1 2.95Å; E264-F306 HydrophobicContact CB-CD1 4.15Å; E264-F306 HydrophobicContact CB-CE1 3.76Å; E264-F306 HydrophobicContact CB-CE2 4.21Å; E264-F306 HydrophobicContact CB-CZ 3.79Å; E264-F306 HydrophobicContact CG-CD1 3.71Å; E264-F306 HydrophobicContact CG-CD2 4.49Å; E264-F306 HydrophobicContact CG-CE1 3.83Å; E264-F306 HydrophobicContact CG-CG 4.07Å; E264-F306 HydrophobicContact CG-CZ 4.27Å
265	D	97.4	Very high	93.5	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-38.7	176.7	-165.1	20.8	0	0	0	111.3	N23 T91 I92 S261 V263 F267 T268 T269	N23-D265 WeakPolarHBondContact CA-OD1 3.47Å; N23-D265 PolarHBondContact N-OD1 3.03Å; N23-D265 PolarHBondContact N-OD2 2.9Å; N23-D265 PolarHBondContact OD1-OD1 3.37Å; T91-D265 WeakPolarHBondContact CA-OD2 2.85Å; T91-D265 WeakPolarHBondContact CB-OD2 3.18Å; T91-D265 PolarHBondContact OG1-OD2 3.06Å; I92-D265 HydrophobicContact CG1-CB 4.1Å; I92-D265 PolarHBondContact N-OD2 2.88Å; S261-D265 VanDerWaalsContact O-CB 3.27Å; S261-D265 WeakPolarHBondContact O-CB 3.2Å; S261-D265 PolarHBondContact O-N 3.28Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 PolarHBondContact O-N 3.15Å; D265-F267 VanDerWaalsContact C-N 3.31Å; D265-F267 PolarHBondContact O-N 3.38Å; D265-T268 WeakPolarHBondContact CA-OG1 3.35Å; D265-T268 PolarHBondContact O-N 3.22Å; D265-T268 PolarHBondContact O-OG1 3.47Å; D265-T269 WeakPolarHBondContact O-CB 3.3Å; D265-T269 PolarHBondContact O-N 2.76Å; D265-T269 PolarHBondContact O-OG1 3.41Å; D265-T269 PolarHBondContact OD1-OG1 2.85Å
266	F	97.6	Very high	93.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-41.2	176.6	171.3	-117.8	0	0	0	111.9	I92 A202 L204 H229 Y262 V263 E264 Y270 K276 A278	I92-F266 HydrophobicContact CD1-CB 3.92Å; I92-F266 HydrophobicContact CD1-CD2 4.37Å; I92-F266 HydrophobicContact CG1-CB 3.81Å; I92-F266 HydrophobicContact CG2-CD2 4.3Å; A202-F266 HydrophobicContact CB-CE2 3.75Å; A202-F266 HydrophobicContact CB-CZ 3.7Å; L204-F266 HydrophobicContact CB-CD1 4.05Å; L204-F266 HydrophobicContact CB-CD2 4.42Å; L204-F266 HydrophobicContact CB-CE1 3.91Å; L204-F266 HydrophobicContact CB-CE2 4.33Å; L204-F266 HydrophobicContact CB-CG 4.3Å; L204-F266 HydrophobicContact CB-CZ 4.07Å; L204-F266 HydrophobicContact CD1-CB 3.56Å; L204-F266 HydrophobicContact CD1-CD1 3.87Å; L204-F266 HydrophobicContact CD1-CD2 4.04Å; L204-F266 HydrophobicContact CD1-CG 3.56Å; H229-F266 AromaticContact CD2-CD2 3.72Å; H229-F266 AromaticContact CD2-CE2 3.59Å; Y262-F266 WeakPolarHBondContact O-CB 3.3Å; Y262-F266 PolarHBondContact O-N 3.19Å; Y262-F266 VanDerWaalsContact O-N 3.14Å; V263-F266 WeakPolarHBondContact O-CB 3.19Å; V263-F266 PolarHBondContact O-N 2.97Å; V263-F266 VanDerWaalsContact O-N 3.12Å; E264-F266 VanDerWaalsContact C-N 3.27Å; E264-F266 PolarHBondContact O-N 3.18Å; F266-Y270 AromaticContact CD2-CD2 3.78Å; F266-Y270 HydrophobicContact CD2-CD2 3.78Å; F266-Y270 AromaticContact CD2-CE2 3.65Å; F266-Y270 HydrophobicContact CD2-CE2 3.65Å; F266-Y270 AromaticContact CE2-CD2 3.69Å; F266-Y270 HydrophobicContact CE2-CD2 3.69Å; F266-Y270 AromaticContact CE2-CE2 3.52Å; F266-Y270 HydrophobicContact CE2-CE2 3.52Å; F266-Y270 WeakPolarHBondContact O-CD2 3.33Å; F266-K276 HydrophobicContact CE1-CB 3.68Å; F266-K276 HydrophobicContact CE1-CD 4.49Å; F266-K276 HydrophobicContact CE1-CG 4.01Å; F266-K276 HydrophobicContact CZ-CB 3.96Å; F266-K276 HydrophobicContact CZ-CG 4Å; F266-A278 HydrophobicContact CD1-CB 4.33Å; F266-A278 HydrophobicContact CE1-CB 4.22Å
267	F	95.4	Very high	93.9	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-76.1	-27.8	179.6	-84	-91.1	0	0	0	113.9	N113 V263 E264 D265 K276 A278 F307 Y311	N113-F267 HydrophobicContact CB-CE1 3.74Å; N113-F267 HydrophobicContact CB-CZ 4.35Å; V263-F267 HydrophobicContact CG1-CD2 3.74Å; V263-F267 HydrophobicContact CG1-CE2 3.71Å; V263-F267 VanDerWaalsContact O-CD2 3.29Å; V263-F267 WeakPolarHBondContact O-CD2 3.41Å; V263-F267 PolarHBondContact O-N 3.45Å; E264-F267 PolarHBondContact O-N 3.15Å; E264-F267 VanDerWaalsContact O-N 3.12Å; D265-F267 VanDerWaalsContact C-N 3.31Å; D265-F267 PolarHBondContact O-N 3.38Å; F267-K276 HydrophobicContact CB-CD 4.34Å; F267-K276 HydrophobicContact CD1-CB 4.29Å; F267-K276 HydrophobicContact CD1-CD 3.22Å; F267-K276 HydrophobicContact CD1-CG 4.4Å; F267-K276 HydrophobicContact CE1-CB 3.79Å; F267-K276 HydrophobicContact CE1-CD 3.59Å; F267-K276 HydrophobicContact CE1-CG 4.37Å; F267-K276 HydrophobicContact CG-CD 3.81Å; F267-K276 HydrophobicContact CZ-CB 4.02Å; F267-K276 HydrophobicContact CZ-CD 4.4Å; F267-K276 WeakPolarHBondContact O-CE 3.37Å; F267-A278 HydrophobicContact CE2-CB 3.98Å; F267-F307 HydrophobicContact CB-CE1 4.03Å; F267-F307 AromaticContact CD1-CE1 3.97Å; F267-F307 HydrophobicContact CD1-CE1 3.97Å; F267-F307 AromaticContact CD2-CE1 3.62Å; F267-F307 HydrophobicContact CD2-CE1 3.62Å; F267-F307 AromaticContact CD2-CZ 3.88Å; F267-F307 HydrophobicContact CD2-CZ 3.88Å; F267-F307 HydrophobicContact CE1-CE1 4.27Å; F267-F307 AromaticContact CE2-CE1 3.98Å; F267-F307 HydrophobicContact CE2-CE1 3.98Å; F267-F307 HydrophobicContact CE2-CZ 4.16Å; F267-F307 AromaticContact CG-CE1 3.62Å; F267-F307 HydrophobicContact CG-CE1 3.62Å; F267-F307 HydrophobicContact CG-CZ 4.3Å; F267-F307 HydrophobicContact CZ-CE1 4.28Å; F267-Y311 HydrophobicContact CB-CD1 4.2Å; F267-Y311 HydrophobicContact CB-CE1 3.44Å; F267-Y311 VanDerWaalsContact CB-CE1 3.44Å; F267-Y311 HydrophobicContact CD1-CE1 4Å; F267-Y311 AromaticContact CD1-CZ 3.66Å; F267-Y311 WeakPolarHBondContact CD1-OH 3.21Å; F267-Y311 WeakPolarHBondContact CE1-OH 3.4Å; F267-Y311 HydrophobicContact CG-CE1 4.06Å
268	T	94.6	Very high	94.2	Very high	39 Å²	39	29.1 Å²	29.1	24%	0.239	15%	0.147	C	C	.	.	H	α-helix	trans	-83.4	-26.4	173.1	53.5	0	0	0	0	114.1	N23 E264 D265 F306	N23-T268 PolarHBondContact OD1-OG1 3.15Å; E264-T268 PolarHBondContact O-N 2.88Å; E264-T268 PolarHBondContact O-OG1 2.87Å; D265-T268 WeakPolarHBondContact CA-OG1 3.35Å; D265-T268 PolarHBondContact O-N 3.22Å; D265-T268 PolarHBondContact O-OG1 3.47Å; T268-F306 HydrophobicContact CG2-CE2 3.99Å; T268-F306 HydrophobicContact CG2-CZ 3.7Å
269	T	94.3	Very high	94.3	Very high	23 Å²	23	28.8 Å²	28.8	14%	0.141	15%	0.145	C	C	.	.	H	α-helix	trans	-72.1	-38.2	-176.1	-67.7	0	0	0	0	112.4	N23 I92 P94 D265	N23-T269 WeakPolarHBondContact CA-OG1 3.49Å; I92-T269 HydrophobicContact CB-CG2 4.35Å; I92-T269 HydrophobicContact CG2-CG2 3.72Å; P94-T269 HydrophobicContact CB-CG2 4.26Å; P94-T269 HydrophobicContact CG-CG2 3.45Å; P94-T269 VanDerWaalsContact CG-CG2 3.45Å; D265-T269 WeakPolarHBondContact O-CB 3.3Å; D265-T269 PolarHBondContact O-N 2.76Å; D265-T269 PolarHBondContact O-OG1 3.41Å; D265-T269 PolarHBondContact OD1-OG1 2.85Å
270	Y	91.5	Very high	94.4	Very high	15 Å²	15	28.8 Å²	28.8	6%	0.059	15%	0.145	C	C	.	.	S	Bend	trans	-94.9	143.2	179.3	-68.5	-76.6	0	0	0	112.1	I92 P94 K95 M98 A202 H229 F266 Q274 K276	I92-Y270 HydrophobicContact CG2-CE2 4.03Å; P94-Y270 HydrophobicContact CB-CE1 4.3Å; K95-Y270 PolarHBondContact N-OH 3.25Å; M98-Y270 HydrophobicContact CB-CE1 4.19Å; M98-Y270 HydrophobicContact CG-CE1 3.64Å; M98-Y270 HydrophobicContact SD-CE1 3.99Å; A202-Y270 HydrophobicContact CB-CD2 4.24Å; A202-Y270 HydrophobicContact CB-CE2 4.22Å; A202-Y270 HydrophobicContact CB-CG 4.49Å; H229-Y270 PolarHBondContact CE1-OH 3.43Å; H229-Y270 AromaticContact NE2-CE2 3.37Å; H229-Y270 WeakPolarHBondContact NE2-CE2 3.23Å; H229-Y270 AromaticContact NE2-CZ 3.47Å; H229-Y270 PolarHBondContact NE2-OH 3.18Å; F266-Y270 AromaticContact CD2-CD2 3.78Å; F266-Y270 HydrophobicContact CD2-CD2 3.78Å; F266-Y270 AromaticContact CD2-CE2 3.65Å; F266-Y270 HydrophobicContact CD2-CE2 3.65Å; F266-Y270 AromaticContact CE2-CD2 3.69Å; F266-Y270 HydrophobicContact CE2-CD2 3.69Å; F266-Y270 AromaticContact CE2-CE2 3.52Å; F266-Y270 HydrophobicContact CE2-CE2 3.52Å; F266-Y270 WeakPolarHBondContact O-CD2 3.33Å; Y270-Q274 HydrophobicContact CD1-CG 4.29Å; Y270-Q274 HydrophobicContact CG-CG 4.37Å; Y270-K276 PolarHBondContact O-NZ 2.9Å
271	P	88.5	Confident	94.4	Very high	82 Å²	82	28.9 Å²	28.9	53%	0.532	15%	0.145	S	C	.	.			trans	-51.5	156.1	176.3	-26.1	34	0	0	0	113.5	E273 Q274 K276	P271-E273 PolarHBondContact O-N 2.97Å; P271-Q274 WeakPolarHBondContact O-CB 3.3Å; P271-Q274 PolarHBondContact O-N 3.32Å; P271-Q274 VanDerWaalsContact O-N 3.15Å; P271-K276 PolarHBondContact O-NZ 3.08Å
272	R	84.8	Confident	94.3	Very high	138 Å²	138	27 Å²	27	52%	0.521	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31	-177.2	-69.9	-174	179.3	-156.8	-0.5	112.6	Q274 R310 Y311	R272-Q274 VanDerWaalsContact C-N 3.27Å; R272-Q274 PolarHBondContact O-N 2.68Å; R272-R310 PolarHBondContact NH2-O 3.04Å; R272-Y311 PolarHBondContact NH2-O 3.29Å
273	E	84.5	Confident	94.1	Very high	157 Å²	157	27 Å²	27	73%	0.734	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-23	-179	-60.9	69.4	-151.8	0	0	112.1	P271 P275	P271-E273 PolarHBondContact O-N 2.97Å; E273-P275 VanDerWaalsContact O-CD 3.25Å; E273-P275 WeakPolarHBondContact O-CD 3.36Å
274	Q	87.7	Confident	93.7	Very high	21 Å²	21	27 Å²	27	10%	0.098	13%	0.132	C	C	.	.	S	Bend	trans	-77.6	112.1	176.6	175.8	56.8	67.3	0	0	109	G200 A202 Y270 P271 R272 K276	G200-Q274 PolarHBondContact O-NE2 2.95Å; A202-Q274 HydrophobicContact CB-CG 4.31Å; Y270-Q274 HydrophobicContact CD1-CG 4.29Å; Y270-Q274 HydrophobicContact CG-CG 4.37Å; P271-Q274 WeakPolarHBondContact O-CB 3.3Å; P271-Q274 PolarHBondContact O-N 3.32Å; P271-Q274 VanDerWaalsContact O-N 3.15Å; R272-Q274 VanDerWaalsContact C-N 3.27Å; R272-Q274 PolarHBondContact O-N 2.68Å; Q274-K276 PolarHBondContact O-NZ 2.88Å
275	P	92	Very high	93.1	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.032	12%	0.122	C	C	.	.			trans	-67.5	147.5	176	31.9	-40.8	0	0	0	111.6	V105 P111 Y201 A202 E273	V105-P275 HydrophobicContact CG2-CG 3.62Å; P111-P275 HydrophobicContact CB-CB 3.85Å; P111-P275 HydrophobicContact CB-CG 4.33Å; P111-P275 HydrophobicContact CG-CB 3.98Å; P111-P275 HydrophobicContact CG-CG 4.24Å; Y201-P275 WeakPolarHBondContact CA-O 3.43Å; Y201-P275 HydrophobicContact CD1-CB 3.8Å; Y201-P275 HydrophobicContact CD1-CG 4.39Å; Y201-P275 HydrophobicContact CD2-CB 3.87Å; Y201-P275 HydrophobicContact CD2-CG 3.7Å; Y201-P275 HydrophobicContact CE1-CB 3.65Å; Y201-P275 HydrophobicContact CE2-CB 3.71Å; Y201-P275 HydrophobicContact CE2-CG 3.86Å; Y201-P275 HydrophobicContact CG-CB 3.88Å; Y201-P275 HydrophobicContact CG-CG 3.96Å; A202-P275 PolarHBondContact N-O 3.06Å; E273-P275 VanDerWaalsContact O-CD 3.25Å; E273-P275 WeakPolarHBondContact O-CD 3.36Å
276	K	94.4	Very high	92.4	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.013	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.9	-172.8	-65.6	157.9	-174	56.7	0	110.4	N113 I114 A202 F266 F267 Y270 P271 Q274	N113-K276 WeakPolarHBondContact CA-O 3.47Å; N113-K276 WeakPolarHBondContact OD1-CB 3.21Å; N113-K276 PolarHBondContact OD1-N 3.25Å; I114-K276 PolarHBondContact N-O 3.46Å; A202-K276 HydrophobicContact CB-CG 4.43Å; A202-K276 WeakPolarHBondContact O-CA 3.47Å; F266-K276 HydrophobicContact CE1-CB 3.68Å; F266-K276 HydrophobicContact CE1-CD 4.49Å; F266-K276 HydrophobicContact CE1-CG 4.01Å; F266-K276 HydrophobicContact CZ-CB 3.96Å; F266-K276 HydrophobicContact CZ-CG 4Å; F267-K276 HydrophobicContact CB-CD 4.34Å; F267-K276 HydrophobicContact CD1-CB 4.29Å; F267-K276 HydrophobicContact CD1-CD 3.22Å; F267-K276 HydrophobicContact CD1-CG 4.4Å; F267-K276 HydrophobicContact CE1-CB 3.79Å; F267-K276 HydrophobicContact CE1-CD 3.59Å; F267-K276 HydrophobicContact CE1-CG 4.37Å; F267-K276 HydrophobicContact CG-CD 3.81Å; F267-K276 HydrophobicContact CZ-CB 4.02Å; F267-K276 HydrophobicContact CZ-CD 4.4Å; F267-K276 WeakPolarHBondContact O-CE 3.37Å; Y270-K276 PolarHBondContact O-NZ 2.9Å; P271-K276 PolarHBondContact O-NZ 3.08Å; Q274-K276 PolarHBondContact O-NZ 2.88Å
277	F	97.2	Very high	91.7	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.6	167.9	173.5	-87.8	0	0	0	108.4	I114 F116 L165 I192 W193 L196 Y201 A202 T203 L204 F279	I114-F277 HydrophobicContact CB-CD2 3.89Å; I114-F277 HydrophobicContact CG2-CD2 3.72Å; I114-F277 HydrophobicContact CG2-CE2 3.94Å; I114-F277 CarbonylContact O-C 3.38Å; I114-F277 VanDerWaalsContact O-CA 3.29Å; I114-F277 WeakPolarHBondContact O-CA 3.31Å; F116-F277 AromaticContact CD2-CE2 3.91Å; F116-F277 HydrophobicContact CD2-CE2 3.91Å; F116-F277 HydrophobicContact CD2-CZ 4.22Å; F116-F277 AromaticContact CE2-CE2 3.8Å; F116-F277 HydrophobicContact CE2-CE2 3.8Å; F116-F277 HydrophobicContact CE2-CZ 4.41Å; L165-F277 HydrophobicContact CD2-CZ 4.4Å; I192-F277 HydrophobicContact CG2-CE2 3.9Å; I192-F277 HydrophobicContact CG2-CZ 3.83Å; W193-F277 HydrophobicContact CB-CD1 3.79Å; W193-F277 HydrophobicContact CB-CE1 3.7Å; W193-F277 HydrophobicContact CB-CZ 4.44Å; W193-F277 AromaticContact CE3-CE1 3.96Å; W193-F277 HydrophobicContact CE3-CE1 3.96Å; W193-F277 HydrophobicContact CE3-CZ 4.24Å; L196-F277 HydrophobicContact CD1-CB 3.86Å; L196-F277 HydrophobicContact CD1-CD2 3.19Å; L196-F277 HydrophobicContact CD1-CE2 3.86Å; L196-F277 HydrophobicContact CD1-CG 3.66Å; Y201-F277 HydrophobicContact CD1-CB 4.04Å; A202-F277 PolarHBondContact O-N 3.49Å; T203-F277 CarbonylContact C-O 3.47Å; T203-F277 WeakPolarHBondContact CA-O 3.3Å; T203-F277 HydrophobicContact CG2-CB 4.36Å; L204-F277 PolarHBondContact N-O 2.78Å; F277-F279 HydrophobicContact CE1-CB 3.8Å; F277-F279 HydrophobicContact CZ-CB 4.02Å
278	A	98.6	Very high	91.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.6	173.5	0	0	0	0	0	110	I114 Y115 F116 L204 V263 F266 F267	I114-A278 PolarHBondContact O-N 3.4Å; Y115-A278 WeakPolarHBondContact CA-O 3.43Å; Y115-A278 HydrophobicContact CD2-CB 3.7Å; Y115-A278 HydrophobicContact CE2-CB 4.33Å; Y115-A278 HydrophobicContact CG-CB 4.46Å; F116-A278 PolarHBondContact N-O 2.9Å; L204-A278 HydrophobicContact CB-CB 4.32Å; L204-A278 HydrophobicContact CD2-CB 4.18Å; L204-A278 WeakPolarHBondContact O-CA 3.27Å; V263-A278 HydrophobicContact CG1-CB 4.08Å; F266-A278 HydrophobicContact CD1-CB 4.33Å; F266-A278 HydrophobicContact CE1-CB 4.22Å; F267-A278 HydrophobicContact CE2-CB 3.98Å
279	F	98.7	Very high	90.7	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107.4	168.5	179.7	-113.5	0	0	0	108	F116 L161 L165 W193 L204 F205 A206 F277 I281	F116-F279 HydrophobicContact CB-CD2 3.6Å; F116-F279 HydrophobicContact CB-CE2 4.2Å; F116-F279 HydrophobicContact CG-CD2 4.21Å; L161-F279 HydrophobicContact CD1-CE1 4.46Å; L161-F279 HydrophobicContact CD1-CZ 3.84Å; L161-F279 HydrophobicContact CD2-CE2 4.15Å; L161-F279 HydrophobicContact CD2-CZ 3.87Å; L161-F279 HydrophobicContact CG-CZ 4.39Å; L165-F279 HydrophobicContact CD1-CD1 4.27Å; L165-F279 HydrophobicContact CD1-CD2 4.47Å; L165-F279 HydrophobicContact CD1-CE1 3.9Å; L165-F279 HydrophobicContact CD1-CE2 4.14Å; L165-F279 HydrophobicContact CD1-CZ 3.87Å; L165-F279 HydrophobicContact CD2-CD2 3.94Å; L165-F279 HydrophobicContact CD2-CE2 4.23Å; L165-F279 HydrophobicContact CD2-CG 4.26Å; W193-F279 HydrophobicContact CZ3-CD1 4.46Å; L204-F279 PolarHBondContact O-N 2.86Å; F205-F279 CarbonylContact C-O 3.58Å; F205-F279 WeakPolarHBondContact CA-O 3.42Å; F205-F279 AromaticContact CD2-CD1 3.39Å; F205-F279 HydrophobicContact CD2-CD1 3.39Å; F205-F279 HydrophobicContact CD2-CE1 4Å; F205-F279 HydrophobicContact CD2-CG 4.38Å; F205-F279 WeakPolarHBondContact CD2-O 3.2Å; F205-F279 AromaticContact CE2-CD1 3.45Å; F205-F279 HydrophobicContact CE2-CD1 3.45Å; F205-F279 VanDerWaalsContact CE2-CD1 3.45Å; F205-F279 AromaticContact CE2-CE1 3.54Å; F205-F279 HydrophobicContact CE2-CE1 3.54Å; F205-F279 HydrophobicContact CG-CD1 4.25Å; F205-F279 HydrophobicContact CZ-CD1 4.33Å; F205-F279 HydrophobicContact CZ-CE1 4.24Å; A206-F279 PolarHBondContact N-O 3.3Å; F277-F279 HydrophobicContact CE1-CB 3.8Å; F277-F279 HydrophobicContact CZ-CB 4.02Å; F279-I281 HydrophobicContact CZ-CB 4.49Å; F279-I281 HydrophobicContact CZ-CD1 4.21Å
280	Q	98.1	Very high	90.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.4	179.6	-177	174.5	7.9	0	0	110	Y115 F116 L117 G118 A206 H259 V263 H282	Y115-Q280 HydrophobicContact CE2-CB 3.85Å; Y115-Q280 PolarHBondContact OH-OE1 2.9Å; F116-Q280 PolarHBondContact O-N 2.76Å; L117-Q280 WeakPolarHBondContact CA-O 3.4Å; L117-Q280 HydrophobicContact CD1-CB 4.49Å; L117-Q280 HydrophobicContact CD1-CG 4.28Å; G118-Q280 PolarHBondContact N-O 2.79Å; A206-Q280 HydrophobicContact CB-CB 4.37Å; A206-Q280 HydrophobicContact CB-CG 4.16Å; A206-Q280 CarbonylContact O-C 3.56Å; A206-Q280 WeakPolarHBondContact O-CA 3.5Å; H259-Q280 PolarHBondContact CD2-NE2 2.96Å; H259-Q280 PolarHBondContact O-NE2 3.01Å; V263-Q280 HydrophobicContact CG2-CB 4.16Å; V263-Q280 HydrophobicContact CG2-CG 4.34Å; Q280-H282 PolarHBondContact NE2-CE1 3.35Å; Q280-H282 PolarHBondContact NE2-NE2 3.02Å
281	I	96.3	Very high	90.3	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.036	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132	174.5	-143.6	170.9	0	0	0	110.2	G118 T157 L161 A206 E207 H259 F279 V283	G118-I281 WeakPolarHBondContact O-CA 3.37Å; T157-I281 HydrophobicContact CG2-CD1 4.13Å; L161-I281 HydrophobicContact CD1-CD1 3.54Å; L161-I281 HydrophobicContact CD2-CD1 4.26Å; L161-I281 HydrophobicContact CG-CD1 4.43Å; A206-I281 PolarHBondContact O-N 3.18Å; E207-I281 HydrophobicContact CB-CG2 3.78Å; E207-I281 HydrophobicContact CG-CG2 3.58Å; H259-I281 PolarHBondContact CE1-O 3.43Å; F279-I281 HydrophobicContact CZ-CB 4.49Å; F279-I281 HydrophobicContact CZ-CD1 4.21Å; I281-V283 HydrophobicContact CG2-CG2 4.23Å
282	H	95	Very high	90.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.7	175	-67.4	-94.8	0	0	0	109.9	G118 F119 D120 H259 Q280	G118-H282 PolarHBondContact O-N 2.87Å; F119-H282 CarbonylContact C-O 3.54Å; F119-H282 WeakPolarHBondContact CA-O 3.31Å; F119-H282 HydrophobicContact CD1-CB 3.84Å; F119-H282 HydrophobicContact CE1-CB 4.24Å; F119-H282 AromaticContact CE1-CD2 3.96Å; D120-H282 PolarHBondContact N-O 2.86Å; H259-H282 AromaticContact CE1-ND1 3.87Å; H259-H282 AromaticContact CG-CE1 3.54Å; H259-H282 AromaticContact CG-ND1 3.74Å; H259-H282 AromaticContact ND1-CE1 3.59Å; H259-H282 AromaticContact ND1-ND1 3.27Å; H259-H282 PolarHBondContact ND1-ND1 3.12Å; Q280-H282 PolarHBondContact NE2-CE1 3.35Å; Q280-H282 PolarHBondContact NE2-NE2 3.02Å
283	V	94	Very high	90.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	13%	0.128	C	C	.	.			trans	-109.6	-42.4	-179.8	-174	0	0	0	0	109.6	D120 E207 D208 V209 I212 I281 Y285 S286 H287	D120-V283 HydrophobicContact CB-CG2 4.1Å; E207-V283 HydrophobicContact CG-CG2 4.33Å; D208-V283 WeakPolarHBondContact OD1-CA 3.46Å; D208-V283 VanDerWaalsContact OD1-CB 3.3Å; D208-V283 WeakPolarHBondContact OD1-CB 3.25Å; D208-V283 WeakPolarHBondContact OD1-CG2 3.49Å; D208-V283 PolarHBondContact OD1-N 2.95Å; D208-V283 PolarHBondContact OD2-N 3.29Å; V209-V283 HydrophobicContact CB-CB 4.2Å; V209-V283 HydrophobicContact CB-CG1 4.18Å; V209-V283 HydrophobicContact CG2-CB 3.94Å; V209-V283 HydrophobicContact CG2-CG1 4.18Å; I212-V283 HydrophobicContact CD1-CG1 3.67Å; I212-V283 HydrophobicContact CG1-CG1 4.2Å; I281-V283 HydrophobicContact CG2-CG2 4.23Å; V283-Y285 PolarHBondContact O-N 2.95Å; V283-S286 PolarHBondContact O-N 2.78Å; V283-S286 VanDerWaalsContact O-N 3.16Å; V283-H287 HydrophobicContact CG1-CB 3.63Å; V283-H287 VanDerWaalsContact O-CB 3.29Å; V283-H287 WeakPolarHBondContact O-CB 3.36Å; V283-H287 PolarHBondContact O-N 3.1Å
284	G	88.8	Confident	91.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	-166.1	0	0	0	0	0	116.3	D208 N246	D208-G284 PolarHBondContact OD2-N 3.19Å; N246-G284 WeakPolarHBondContact ND2-CA 3.43Å; N246-G284 PolarHBondContact ND2-O 3.39Å; N246-G284 WeakPolarHBondContact OD1-CA 3.36Å
285	Y	85.7	Confident	91.7	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.008	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-3.8	-177.5	-76.8	-99.3	0	0	0	114.4	L10 L248 Q255 Y256 V283 R292 V293 L295	L10-Y285 HydrophobicContact CD2-CE1 4.47Å; L10-Y285 VanDerWaalsContact CD2-OH 3.31Å; L10-Y285 WeakPolarHBondContact CD2-OH 3.11Å; L248-Y285 HydrophobicContact CD2-CD2 4.19Å; L248-Y285 HydrophobicContact CD2-CE1 4.26Å; L248-Y285 HydrophobicContact CD2-CE2 3.74Å; L248-Y285 PolarHBondContact O-OH 2.9Å; Q255-Y285 HydrophobicContact CB-CE2 4.2Å; Y256-Y285 HydrophobicContact CD1-CD1 4.49Å; Y256-Y285 AromaticContact CD1-CE1 3.75Å; Y256-Y285 HydrophobicContact CD1-CE1 3.75Å; Y256-Y285 HydrophobicContact CD1-CE2 4.27Å; Y256-Y285 AromaticContact CD1-CZ 3.61Å; Y256-Y285 HydrophobicContact CE1-CE1 4.49Å; V283-Y285 PolarHBondContact O-N 2.95Å; Y285-R292 HydrophobicContact CD1-CG 3.86Å; Y285-R292 CarbonylContact O-C 3.56Å; Y285-R292 VanDerWaalsContact O-CB 3.29Å; Y285-R292 WeakPolarHBondContact O-CB 3.49Å; Y285-V293 WeakPolarHBondContact O-CA 3.31Å; Y285-V293 PolarHBondContact O-N 3.12Å; Y285-L295 HydrophobicContact CD1-CB 4.21Å; Y285-L295 HydrophobicContact CD1-CD1 4.35Å; Y285-L295 HydrophobicContact CE1-CB 4.32Å; Y285-L295 HydrophobicContact CE1-CD1 4.16Å
286	S	83.7	Confident	91.7	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.042	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-25.9	-173.8	36.9	0	0	0	0	114.3	D120 V283 D289	D120-S286 CarbonylContact O-C 3.49Å; D120-S286 WeakPolarHBondContact O-CB 3.29Å; D120-S286 PolarHBondContact O-OG 2.78Å; V283-S286 PolarHBondContact O-N 2.78Å; V283-S286 VanDerWaalsContact O-N 3.16Å; S286-D289 CarbonylContact O-C 3.57Å
287	H	81.4	Confident	91.8	Very high	82 Å²	82	23.2 Å²	23.2	38%	0.38	11%	0.111	S	C	.	.	S	Bend	trans	-66.3	-50.1	-173.4	-174.1	-82.8	0	0	0	112.3	D120 I212 V283	D120-H287 PolarHBondContact O-N 2.95Å; D120-H287 VanDerWaalsContact O-N 3.1Å; I212-H287 HydrophobicContact CD1-CB 4.36Å; I212-H287 WeakPolarHBondContact CD1-ND1 3.49Å; V283-H287 HydrophobicContact CG1-CB 3.63Å; V283-H287 VanDerWaalsContact O-CB 3.29Å; V283-H287 WeakPolarHBondContact O-CB 3.36Å; V283-H287 PolarHBondContact O-N 3.1Å
288	D	83.1	Confident	91.7	Very high	84 Å²	84	24.9 Å²	24.9	45%	0.449	13%	0.129	S	C	.	.	S	Bend	trans	-88.7	-23.3	-175.7	-58.5	-30.7	0	0	0	113.3	Y245	Y245-D288 WeakPolarHBondContact CE1-OD2 3.3Å; Y245-D288 PolarHBondContact OH-OD1 3.49Å; Y245-D288 PolarHBondContact OH-OD2 2.92Å
289	D	87.1	Confident	91.4	Very high	41 Å²	41	26 Å²	26	22%	0.219	14%	0.137	C	C	.	.			trans	-147.9	104.7	177	178.4	8	0	0	0	110.1	S286 N291 R292	S286-D289 CarbonylContact O-C 3.57Å; D289-N291 PolarHBondContact O-N 2.99Å; D289-N291 VanDerWaalsContact O-N 3.12Å; D289-N291 VanDerWaalsContact OD1-CB 3.3Å; D289-N291 WeakPolarHBondContact OD1-CB 3.01Å; D289-N291 PolarHBondContact OD1-N 2.84Å; D289-N291 PolarHBondContact OD1-ND2 3.22Å; D289-R292 HydrophobicContact CB-CB 4.14Å; D289-R292 WeakPolarHBondContact O-CB 3Å; D289-R292 PolarHBondContact O-N 3.19Å
290	F	86.1	Confident	91.3	Very high	81 Å²	81	25.8 Å²	25.8	36%	0.355	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.9	179.2	66.4	-95.8	0	0	0	113.4	L3 I4 V293	L3-F290 HydrophobicContact CD1-CE1 4.2Å; L3-F290 HydrophobicContact CD1-CZ 3.82Å; L3-F290 HydrophobicContact CG-CZ 3.96Å; L3-F290 WeakPolarHBondContact O-CZ 3.27Å; I4-F290 HydrophobicContact CG1-CE2 4.17Å; F290-V293 WeakPolarHBondContact O-CG1 3Å
291	N	91.9	Very high	91.2	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-29.7	173.5	-65.6	-72.3	0	0	0	111.8	L3 I4 H5 V7 K130 D289 V293 E294	L3-N291 PolarHBondContact O-ND2 3.11Å; I4-N291 WeakPolarHBondContact CA-OD1 3.46Å; H5-N291 PolarHBondContact CE1-ND2 3.1Å; H5-N291 VanDerWaalsContact CE1-ND2 3.29Å; H5-N291 PolarHBondContact N-OD1 2.65Å; H5-N291 VanDerWaalsContact N-OD1 3.1Å; H5-N291 PolarHBondContact O-OD1 2.85Å; H5-N291 VanDerWaalsContact O-OD1 3.11Å; V7-N291 HydrophobicContact CG1-CB 3.87Å; V7-N291 WeakPolarHBondContact CG2-O 3.25Å; K130-N291 WeakPolarHBondContact CE-OD1 3.46Å; K130-N291 PolarHBondContact NZ-OD1 2.04Å; D289-N291 PolarHBondContact O-N 2.99Å; D289-N291 VanDerWaalsContact O-N 3.12Å; D289-N291 VanDerWaalsContact OD1-CB 3.3Å; D289-N291 WeakPolarHBondContact OD1-CB 3.01Å; D289-N291 PolarHBondContact OD1-N 2.84Å; D289-N291 PolarHBondContact OD1-ND2 3.22Å; N291-V293 PolarHBondContact O-N 2.97Å; N291-E294 VanDerWaalsContact O-CB 3.31Å; N291-E294 WeakPolarHBondContact O-CB 3.09Å; N291-E294 PolarHBondContact O-N 3.39Å
292	R	92.1	Very high	91.2	Very high	63 Å²	63	32.8 Å²	32.8	24%	0.238	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-65.6	-21.6	-175.9	-172	-174.4	-59.9	163.6	3.7	113.3	Y285 D289 E294 L295	Y285-R292 HydrophobicContact CD1-CG 3.86Å; Y285-R292 CarbonylContact O-C 3.56Å; Y285-R292 VanDerWaalsContact O-CB 3.29Å; Y285-R292 WeakPolarHBondContact O-CB 3.49Å; D289-R292 HydrophobicContact CB-CB 4.14Å; D289-R292 WeakPolarHBondContact O-CB 3Å; D289-R292 PolarHBondContact O-N 3.19Å; R292-E294 PolarHBondContact O-N 3.4Å; R292-E294 VanDerWaalsContact O-N 3.1Å; R292-L295 HydrophobicContact CG-CD1 3.92Å; R292-L295 WeakPolarHBondContact O-CB 3.49Å; R292-L295 WeakPolarHBondContact O-CG 3.34Å; R292-L295 PolarHBondContact O-N 2.78Å
293	V	93.7	Very high	91.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-61.6	-20.8	176.7	79.3	0	0	0	0	112.5	F119 V122 K130 L131 Y285 F290 N291 L295 A296	F119-V293 HydrophobicContact CB-CG2 4.47Å; F119-V293 HydrophobicContact CD1-CG2 4.04Å; F119-V293 HydrophobicContact CG-CG2 4.4Å; V122-V293 HydrophobicContact CG2-CG2 4.05Å; K130-V293 HydrophobicContact CB-CG1 3.47Å; K130-V293 VanDerWaalsContact CB-CG1 3.47Å; K130-V293 HydrophobicContact CG-CG1 4.02Å; L131-V293 HydrophobicContact CD1-CG2 3.94Å; L131-V293 HydrophobicContact CD2-CG2 4.33Å; L131-V293 WeakPolarHBondContact CD2-O 3.39Å; L131-V293 HydrophobicContact CG-CG2 4.28Å; Y285-V293 WeakPolarHBondContact O-CA 3.31Å; Y285-V293 PolarHBondContact O-N 3.12Å; F290-V293 WeakPolarHBondContact O-CG1 3Å; N291-V293 PolarHBondContact O-N 2.97Å; V293-L295 PolarHBondContact O-N 3Å; V293-A296 WeakPolarHBondContact O-CB 3.42Å; V293-A296 PolarHBondContact O-N 3Å
294	E	94.6	Very high	91.4	Very high	52 Å²	52	33.9 Å²	33.9	24%	0.243	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-55.7	-30.5	172	-172.4	-179.8	-119.3	0	0	112.4	S6 V7 K130 N291 R292 A296 D297	S6-E294 WeakPolarHBondContact CA-OE2 3.06Å; S6-E294 VanDerWaalsContact CB-OE2 3.25Å; S6-E294 WeakPolarHBondContact CB-OE2 3.28Å; S6-E294 PolarHBondContact OG-OE1 2.94Å; V7-E294 HydrophobicContact CG2-CB 3.94Å; V7-E294 WeakPolarHBondContact CG2-OE2 3.32Å; V7-E294 PolarHBondContact N-OE2 3.23Å; K130-E294 HydrophobicContact CD-CB 4.2Å; K130-E294 WeakPolarHBondContact O-CA 3.33Å; N291-E294 VanDerWaalsContact O-CB 3.31Å; N291-E294 WeakPolarHBondContact O-CB 3.09Å; N291-E294 PolarHBondContact O-N 3.39Å; R292-E294 PolarHBondContact O-N 3.4Å; R292-E294 VanDerWaalsContact O-N 3.1Å; E294-A296 PolarHBondContact O-N 3.47Å; E294-D297 WeakPolarHBondContact O-CB 3.07Å; E294-D297 PolarHBondContact O-N 2.85Å; E294-D297 VanDerWaalsContact O-N 3.15Å
295	L	93	Very high	91.8	Very high	31 Å²	31	39 Å²	39	16%	0.162	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-66.3	-19.3	177.2	-60.3	-179.9	0	0	0	113.3	V7 L10 Y285 R292 V293	V7-L295 HydrophobicContact CG2-CD1 4.47Å; V7-L295 HydrophobicContact CG2-CD2 3.83Å; V7-L295 HydrophobicContact CG2-CG 3.79Å; L10-L295 HydrophobicContact CB-CD1 4.33Å; Y285-L295 HydrophobicContact CD1-CB 4.21Å; Y285-L295 HydrophobicContact CD1-CD1 4.35Å; Y285-L295 HydrophobicContact CE1-CB 4.32Å; Y285-L295 HydrophobicContact CE1-CD1 4.16Å; R292-L295 HydrophobicContact CG-CD1 3.92Å; R292-L295 WeakPolarHBondContact O-CB 3.49Å; R292-L295 WeakPolarHBondContact O-CG 3.34Å; R292-L295 PolarHBondContact O-N 2.78Å; V293-L295 PolarHBondContact O-N 3Å
296	A	93.2	Very high	92.2	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.025	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-88.3	-7.3	177.6	0	0	0	0	0	113	F119 L131 V293 E294 T300	F119-A296 HydrophobicContact CE1-CB 3.96Å; L131-A296 HydrophobicContact CD2-CB 4.22Å; V293-A296 WeakPolarHBondContact O-CB 3.42Å; V293-A296 PolarHBondContact O-N 3Å; E294-A296 PolarHBondContact O-N 3.47Å; A296-T300 WeakPolarHBondContact O-CB 3.38Å; A296-T300 PolarHBondContact O-N 2.85Å; A296-T300 PolarHBondContact O-OG1 3.34Å
297	D	95.2	Very high	92.6	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-63.9	-170.8	-164.4	14	0	0	0	112.9	L131 K132 E133 T134 E294 T300 V301	L131-D297 VanDerWaalsContact C-CG 3.49Å; L131-D297 VanDerWaalsContact CA-CG 3.42Å; L131-D297 VanDerWaalsContact CA-OD1 3.29Å; L131-D297 WeakPolarHBondContact CA-OD1 3.1Å; L131-D297 HydrophobicContact CD2-CB 3.93Å; K132-D297 PolarHBondContact N-OD1 3.04Å; K132-D297 PolarHBondContact N-OD2 3.29Å; E133-D297 PolarHBondContact N-OD1 3.37Å; E133-D297 PolarHBondContact N-OD2 3.3Å; T134-D297 VanDerWaalsContact CB-OD1 3.3Å; T134-D297 WeakPolarHBondContact CB-OD1 3.37Å; T134-D297 PolarHBondContact N-OD1 3.27Å; T134-D297 PolarHBondContact OG1-O 2.88Å; T134-D297 PolarHBondContact OG1-OD1 2.69Å; E294-D297 WeakPolarHBondContact O-CB 3.07Å; E294-D297 PolarHBondContact O-N 2.85Å; E294-D297 VanDerWaalsContact O-N 3.15Å; D297-T300 PolarHBondContact O-N 2.95Å; D297-V301 PolarHBondContact O-N 3.19Å; D297-V301 VanDerWaalsContact O-N 3.11Å
298	G	94.6	Very high	92.9	Very high	37 Å²	37	42.8 Å²	42.8	38%	0.381	21%	0.213	S	C	.	.	H	α-helix	trans	-55.6	-50.5	177.2	0	0	0	0	0	113.3	T300 V301 E302	G298-T300 VanDerWaalsContact C-N 3.3Å; G298-T300 PolarHBondContact O-N 3.22Å; G298-V301 WeakPolarHBondContact O-CB 3.49Å; G298-V301 PolarHBondContact O-N 3.09Å; G298-V301 VanDerWaalsContact O-N 3.11Å; G298-E302 PolarHBondContact O-N 3.39Å
299	P	94	Very high	92.6	Very high	24 Å²	24	41.4 Å²	41.4	16%	0.156	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-37.2	176.4	-28.4	35.6	0	0	0	114.6	Y256 L260 V301 E302 H303	Y256-P299 HydrophobicContact CD2-CB 3.61Å; Y256-P299 HydrophobicContact CD2-CG 3.84Å; Y256-P299 HydrophobicContact CE1-CG 4.47Å; Y256-P299 HydrophobicContact CE2-CB 3.27Å; Y256-P299 HydrophobicContact CE2-CG 3.09Å; Y256-P299 VanDerWaalsContact CZ-CG 3.45Å; L260-P299 HydrophobicContact CD1-CB 4.19Å; P299-V301 VanDerWaalsContact C-N 3.34Å; P299-E302 PolarHBondContact O-N 2.82Å; P299-H303 WeakPolarHBondContact O-CB 3.18Å; P299-H303 PolarHBondContact O-N 2.05Å
300	T	95.9	Very high	91.4	Very high	1 Å²	1	49 Å²	49	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-36.8	177.1	-57.3	0	0	0	0	110.9	L117 F119 T134 A296 D297 G298 H303 L304	L117-T300 HydrophobicContact CD2-CG2 3.84Å; F119-T300 HydrophobicContact CZ-CG2 4.17Å; T134-T300 HydrophobicContact CG2-CG2 3.55Å; A296-T300 WeakPolarHBondContact O-CB 3.38Å; A296-T300 PolarHBondContact O-N 2.85Å; A296-T300 PolarHBondContact O-OG1 3.34Å; D297-T300 PolarHBondContact O-N 2.95Å; G298-T300 VanDerWaalsContact C-N 3.3Å; G298-T300 PolarHBondContact O-N 3.22Å; T300-H303 WeakPolarHBondContact O-CB 3.33Å; T300-H303 PolarHBondContact O-N 2.84Å; T300-L304 HydrophobicContact CG2-CD1 4.35Å; T300-L304 HydrophobicContact CG2-CG 4.47Å; T300-L304 VanDerWaalsContact O-CG 3.29Å; T300-L304 WeakPolarHBondContact O-CG 3.33Å; T300-L304 PolarHBondContact O-N 3.48Å
301	V	97	Very high	90	Very high	15 Å²	15	47.3 Å²	47.3	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-45.1	172.1	175	0	0	0	0	111.3	E133 H137 D297 G298 P299 H303 L304 K305	E133-V301 VanDerWaalsContact C-CG2 3.46Å; E133-V301 HydrophobicContact CB-CG2 3.9Å; H137-V301 HydrophobicContact CB-CG1 4.38Å; H137-V301 HydrophobicContact CB-CG2 4.28Å; D297-V301 PolarHBondContact O-N 3.19Å; D297-V301 VanDerWaalsContact O-N 3.11Å; G298-V301 WeakPolarHBondContact O-CB 3.49Å; G298-V301 PolarHBondContact O-N 3.09Å; G298-V301 VanDerWaalsContact O-N 3.11Å; P299-V301 VanDerWaalsContact C-N 3.34Å; V301-H303 VanDerWaalsContact C-N 3.32Å; V301-H303 PolarHBondContact O-N 2.97Å; V301-L304 PolarHBondContact O-N 3.38Å; V301-K305 HydrophobicContact CG1-CD 4.15Å; V301-K305 WeakPolarHBondContact O-CG 3.38Å; V301-K305 PolarHBondContact O-N 3.06Å
302	E	96	Very high	87.4	Confident	138 Å²	138	55.1 Å²	55.1	65%	0.645	29%	0.291	S	S	*	.	H	α-helix	trans	-60.1	-43.8	176.6	-68.6	177.5	173.4	0	0	111.6	G298 P299 L304 K305 F306	G298-E302 PolarHBondContact O-N 3.39Å; P299-E302 PolarHBondContact O-N 2.82Å; E302-L304 PolarHBondContact O-N 3.31Å; E302-K305 WeakPolarHBondContact O-CB 3.38Å; E302-K305 PolarHBondContact O-N 3.21Å; E302-F306 PolarHBondContact O-N 3.23Å
303	H	96.5	Very high	87.2	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-43.2	176	-175.7	69.4	0	0	0	112.7	Y115 L260 E264 P299 T300 V301 F306 F307	Y115-H303 AromaticContact CE1-NE2 3.36Å; Y115-H303 WeakPolarHBondContact CE1-NE2 3.31Å; Y115-H303 AromaticContact CZ-NE2 3.44Å; Y115-H303 PolarHBondContact OH-NE2 3.46Å; L260-H303 HydrophobicContact CD1-CB 4.24Å; L260-H303 HydrophobicContact CD2-CB 4.23Å; L260-H303 PolarHBondContact O-CE1 2.98Å; L260-H303 VanDerWaalsContact O-CE1 3.29Å; E264-H303 VanDerWaalsContact CG-ND1 3.34Å; E264-H303 WeakPolarHBondContact CG-ND1 3.17Å; E264-H303 IonicContact OE1-CE1 3.83Å; E264-H303 IonicContact OE1-CG 3.99Å; E264-H303 IonicContact OE1-ND1 3.9Å; E264-H303 PolarHBondContact OE1-ND1 2.95Å; P299-H303 WeakPolarHBondContact O-CB 3.18Å; P299-H303 PolarHBondContact O-N 2.05Å; T300-H303 WeakPolarHBondContact O-CB 3.33Å; T300-H303 PolarHBondContact O-N 2.84Å; V301-H303 VanDerWaalsContact C-N 3.32Å; V301-H303 PolarHBondContact O-N 2.97Å; H303-F306 WeakPolarHBondContact O-CB 3.29Å; H303-F306 PolarHBondContact O-N 2.95Å; H303-F307 AromaticContact CD2-CE2 3.97Å; H303-F307 AromaticContact CE1-CE2 3.63Å; H303-F307 AromaticContact NE2-CE2 3.49Å; H303-F307 WeakPolarHBondContact NE2-CE2 3.5Å; H303-F307 WeakPolarHBondContact O-CD2 3.18Å
304	L	96.3	Very high	86.8	Confident	27 Å²	27	57.6 Å²	57.6	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-38.9	176	-69.6	175	0	0	0	111.9	T134 I138 L142 T300 V301 E302 F306 F307 Q308	T134-L304 HydrophobicContact CG2-CD1 4.11Å; I138-L304 HydrophobicContact CD1-CD1 4.23Å; I138-L304 HydrophobicContact CG1-CD1 3.81Å; L142-L304 HydrophobicContact CD1-CB 4.33Å; L142-L304 HydrophobicContact CD1-CD1 4.23Å; L142-L304 HydrophobicContact CD1-CD2 4.46Å; T300-L304 HydrophobicContact CG2-CD1 4.35Å; T300-L304 HydrophobicContact CG2-CG 4.47Å; T300-L304 VanDerWaalsContact O-CG 3.29Å; T300-L304 WeakPolarHBondContact O-CG 3.33Å; T300-L304 PolarHBondContact O-N 3.48Å; V301-L304 PolarHBondContact O-N 3.38Å; E302-L304 PolarHBondContact O-N 3.31Å; L304-F306 VanDerWaalsContact C-N 3.32Å; L304-F306 PolarHBondContact O-N 3.29Å; L304-F307 PolarHBondContact O-N 2.97Å; L304-Q308 PolarHBondContact O-N 2.85Å
305	K	96.1	Very high	86.4	Confident	110 Å²	110	57.9 Å²	57.9	48%	0.478	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-35.2	175	-75	174.3	178.5	175.5	0	112.7	V301 E302 F307 Q308 G309	V301-K305 HydrophobicContact CG1-CD 4.15Å; V301-K305 WeakPolarHBondContact O-CG 3.38Å; V301-K305 PolarHBondContact O-N 3.06Å; E302-K305 WeakPolarHBondContact O-CB 3.38Å; E302-K305 PolarHBondContact O-N 3.21Å; K305-F307 PolarHBondContact O-N 3.16Å; K305-Q308 WeakPolarHBondContact O-CB 3.49Å; K305-Q308 PolarHBondContact O-N 3.04Å; K305-G309 PolarHBondContact O-N 3.37Å
306	F	94.8	Very high	86	Confident	41 Å²	41	59.5 Å²	59.5	18%	0.18	32%	0.321	C	S	.	.	H	α-helix	trans	-54.4	-40.4	173.6	161.7	-90.1	0	0	0	111.4	E264 T268 E302 H303 L304 G309 Y311	E264-F306 HydrophobicContact CB-CD1 4.15Å; E264-F306 HydrophobicContact CB-CE1 3.76Å; E264-F306 HydrophobicContact CB-CE2 4.21Å; E264-F306 HydrophobicContact CB-CZ 3.79Å; E264-F306 HydrophobicContact CG-CD1 3.71Å; E264-F306 HydrophobicContact CG-CD2 4.49Å; E264-F306 HydrophobicContact CG-CE1 3.83Å; E264-F306 HydrophobicContact CG-CG 4.07Å; E264-F306 HydrophobicContact CG-CZ 4.27Å; T268-F306 HydrophobicContact CG2-CE2 3.99Å; T268-F306 HydrophobicContact CG2-CZ 3.7Å; E302-F306 PolarHBondContact O-N 3.23Å; H303-F306 WeakPolarHBondContact O-CB 3.29Å; H303-F306 PolarHBondContact O-N 2.95Å; L304-F306 VanDerWaalsContact C-N 3.32Å; L304-F306 PolarHBondContact O-N 3.29Å; F306-G309 PolarHBondContact O-N 3.29Å; F306-Y311 AromaticContact CE1-CD1 3.97Å; F306-Y311 HydrophobicContact CE1-CD1 3.97Å; F306-Y311 AromaticContact CE1-CE1 3.85Å; F306-Y311 HydrophobicContact CE1-CE1 3.85Å; F306-Y311 AromaticContact CZ-CD1 3.76Å; F306-Y311 HydrophobicContact CZ-CD1 3.76Å; F306-Y311 HydrophobicContact CZ-CE1 4.1Å
307	F	92.6	Very high	85.6	Confident	46 Å²	46	63 Å²	63	20%	0.202	34%	0.339	C	S	.	.	H	α-helix	trans	-73.5	-29	175.9	-68.8	-72.4	0	0	0	114	Y115 V263 F267 H303 L304 K305 Y311	Y115-F307 AromaticContact CD1-CE2 3.99Å; Y115-F307 HydrophobicContact CD1-CE2 3.99Å; Y115-F307 HydrophobicContact CD1-CZ 4.1Å; Y115-F307 HydrophobicContact CE1-CD2 4.5Å; Y115-F307 AromaticContact CE1-CE2 3.71Å; Y115-F307 HydrophobicContact CE1-CE2 3.71Å; Y115-F307 HydrophobicContact CE1-CZ 4.08Å; V263-F307 HydrophobicContact CG1-CZ 4.23Å; F267-F307 HydrophobicContact CB-CE1 4.03Å; F267-F307 AromaticContact CD1-CE1 3.97Å; F267-F307 HydrophobicContact CD1-CE1 3.97Å; F267-F307 AromaticContact CD2-CE1 3.62Å; F267-F307 HydrophobicContact CD2-CE1 3.62Å; F267-F307 AromaticContact CD2-CZ 3.88Å; F267-F307 HydrophobicContact CD2-CZ 3.88Å; F267-F307 HydrophobicContact CE1-CE1 4.27Å; F267-F307 AromaticContact CE2-CE1 3.98Å; F267-F307 HydrophobicContact CE2-CE1 3.98Å; F267-F307 HydrophobicContact CE2-CZ 4.16Å; F267-F307 AromaticContact CG-CE1 3.62Å; F267-F307 HydrophobicContact CG-CE1 3.62Å; F267-F307 HydrophobicContact CG-CZ 4.3Å; F267-F307 HydrophobicContact CZ-CE1 4.28Å; H303-F307 AromaticContact CD2-CE2 3.97Å; H303-F307 AromaticContact CE1-CE2 3.63Å; H303-F307 AromaticContact NE2-CE2 3.49Å; H303-F307 WeakPolarHBondContact NE2-CE2 3.5Å; H303-F307 WeakPolarHBondContact O-CD2 3.18Å; L304-F307 PolarHBondContact O-N 2.97Å; K305-F307 PolarHBondContact O-N 3.16Å; F307-Y311 AromaticContact CD1-CE1 3.76Å; F307-Y311 HydrophobicContact CD1-CE1 3.76Å; F307-Y311 AromaticContact CD1-CZ 3.94Å; F307-Y311 WeakPolarHBondContact CD1-OH 3.4Å; F307-Y311 AromaticContact CE1-CE1 3.9Å; F307-Y311 HydrophobicContact CE1-CE1 3.9Å
308	Q	87.6	Confident	84.9	Confident	82 Å²	82	66.1 Å²	66.1	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-68.8	-36	174.2	-66.3	-178.7	-41.3	0	0	112.3	H137 L142 L304 K305 R310	H137-Q308 PolarHBondContact CE1-OE1 3.11Å; H137-Q308 VanDerWaalsContact CE1-OE1 3.29Å; H137-Q308 PolarHBondContact NE2-OE1 3.33Å; L142-Q308 HydrophobicContact CD2-CG 3.63Å; L304-Q308 PolarHBondContact O-N 2.85Å; K305-Q308 WeakPolarHBondContact O-CB 3.49Å; K305-Q308 PolarHBondContact O-N 3.04Å; Q308-R310 PolarHBondContact O-N 3.2Å
309	G	76.3	Confident	84.2	Confident	54 Å²	54	68.1 Å²	68.1	56%	0.557	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	5.7	-174.4	0	0	0	0	0	116.1	K305 F306	K305-G309 PolarHBondContact O-N 3.37Å; F306-G309 PolarHBondContact O-N 3.29Å
310	R	61.6	Low	83.5	Confident	200 Å²	200	71.5 Å²	71.5	76%	0.755	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	66.6	-172.2	-70.4	-177.6	175.8	160.2	0.8	111	R272 Q308 S312	R272-R310 PolarHBondContact NH2-O 3.04Å; Q308-R310 PolarHBondContact O-N 3.2Å; R310-S312 PolarHBondContact O-N 3.45Å
311	Y	57.5	Low	82.4	Confident	47 Å²	47	77.4 Å²	77.4	18%	0.184	40%	0.4	C	S	.	.			trans	29.1	75.9	173.5	-53.3	-69	0	0	0	112.5	F267 R272 F306 F307	F267-Y311 HydrophobicContact CB-CD1 4.2Å; F267-Y311 HydrophobicContact CB-CE1 3.44Å; F267-Y311 VanDerWaalsContact CB-CE1 3.44Å; F267-Y311 HydrophobicContact CD1-CE1 4Å; F267-Y311 AromaticContact CD1-CZ 3.66Å; F267-Y311 WeakPolarHBondContact CD1-OH 3.21Å; F267-Y311 WeakPolarHBondContact CE1-OH 3.4Å; F267-Y311 HydrophobicContact CG-CE1 4.06Å; R272-Y311 PolarHBondContact NH2-O 3.29Å; F306-Y311 AromaticContact CE1-CD1 3.97Å; F306-Y311 HydrophobicContact CE1-CD1 3.97Å; F306-Y311 AromaticContact CE1-CE1 3.85Å; F306-Y311 HydrophobicContact CE1-CE1 3.85Å; F306-Y311 AromaticContact CZ-CD1 3.76Å; F306-Y311 HydrophobicContact CZ-CD1 3.76Å; F306-Y311 HydrophobicContact CZ-CE1 4.1Å; F307-Y311 AromaticContact CD1-CE1 3.76Å; F307-Y311 HydrophobicContact CD1-CE1 3.76Å; F307-Y311 AromaticContact CD1-CZ 3.94Å; F307-Y311 WeakPolarHBondContact CD1-OH 3.4Å; F307-Y311 AromaticContact CE1-CE1 3.9Å; F307-Y311 HydrophobicContact CE1-CE1 3.9Å
312	S	37.1	Very low	81.1	Confident	168 Å²	168	83.1 Å²	83.1	100%	1.175	43%	0.428	S	S	*	.			trans	-31.6	0	-174.1	58.3	0	0	0	0	114.6	R310	R310-S312 PolarHBondContact O-N 3.45Å

Retrieved 312 of 312 residues in 346.5 ms (Link to these results)

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