A0A096N2N9_PAPAN Loading...

Serine/threonine-protein phosphatase AlphaSync

AlphaFold DB (Q08209-3), UniProt , Accession A0A096N2N9, Species PAPAN (Papio anubis, Olive baboon), Gene PPP3CA, Length 469 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	54.3	Low	61.8	Low	244 Å²	244	153.4 Å²	153.4	100%	1.202	83%	0.826	S	S	*	*				0	140.3	0	-74	162.3	165.1	0	0	107.3
2	S	50	Low	64.3	Low	117 Å²	117	145 Å²	145	82%	0.818	79%	0.788	S	S	*	*			trans	-74.2	131.6	173.6	48.6	0	0	0	0	109.9
3	E	51.4	Low	66.5	Low	179 Å²	179	145.1 Å²	145.1	84%	0.836	80%	0.796	S	S	*	*			trans	-60.8	139.8	172.5	-64.2	-178.8	133.6	0	0	110.3	K5	E3-K5 PolarHBondContact O-N 3.5Å; E3-K5 VanDerWaalsContact O-N 3.13Å
4	P	52.3	Low	68.5	Low	124 Å²	124	143.6 Å²	143.6	81%	0.805	79%	0.794	S	S	*	*			trans	-68.5	113.1	173.3	28.7	-32	0	0	0	108.4	A6	P4-A6 PolarHBondContact O-N 3.04Å; P4-A6 VanDerWaalsContact O-N 3.11Å
5	K	54.9	Low	70.2	Confident	195 Å²	195	138.9 Å²	138.9	85%	0.848	77%	0.767	S	S	*	*			trans	-51.4	122.9	164.4	-79.5	-173.2	173.2	-175.3	0	107.8	E3 I7	E3-K5 PolarHBondContact O-N 3.5Å; E3-K5 VanDerWaalsContact O-N 3.13Å; K5-I7 PolarHBondContact O-N 3.48Å; K5-I7 VanDerWaalsContact O-N 3.14Å
6	A	57	Low	71.6	Confident	98 Å²	98	136.4 Å²	136.4	81%	0.81	74%	0.742	S	S	*	*			trans	-52.7	123.4	174.6	0	0	0	0	0	108.6	P4 D8	P4-A6 PolarHBondContact O-N 3.04Å; P4-A6 VanDerWaalsContact O-N 3.11Å; A6-D8 PolarHBondContact O-N 2.88Å
7	I	55.5	Low	72.9	Confident	158 Å²	158	134.1 Å²	134.1	81%	0.81	73%	0.734	S	S	*	*			trans	-71.6	104.2	175.5	-61.3	175	0	0	0	105.7	K5 P9	K5-I7 PolarHBondContact O-N 3.48Å; K5-I7 VanDerWaalsContact O-N 3.14Å; I7-P9 WeakPolarHBondContact O-CD 3.46Å; I7-P9 VanDerWaalsContact O-N 3.07Å
8	D	61.2	Low	74.1	Confident	141 Å²	141	131.8 Å²	131.8	75%	0.754	72%	0.724	S	S	*	*			trans	-51.7	114.2	173.9	-164	8.7	0	0	0	108	A6 K10	A6-D8 PolarHBondContact O-N 2.88Å; D8-K10 PolarHBondContact O-N 2.71Å
9	P	70.5	Confident	75.2	Confident	101 Å²	101	132.6 Å²	132.6	66%	0.656	72%	0.72	S	S	*	*			trans	-64.8	115.7	-166.1	23.6	-33.6	0	0	0	109.1	I7 L11	I7-P9 WeakPolarHBondContact O-CD 3.46Å; I7-P9 VanDerWaalsContact O-N 3.07Å; P9-L11 PolarHBondContact O-N 3.01Å
10	K	84.9	Confident	76.2	Confident	204 Å²	204	130.8 Å²	130.8	89%	0.887	72%	0.723	S	S	*	*			trans	-43.6	115.5	-178.1	-78.1	-170.9	175.5	-175.6	0	109.9	D8 S12	D8-K10 PolarHBondContact O-N 2.71Å; K10-S12 PolarHBondContact O-N 3.01Å
11	L	88.3	Confident	77.2	Confident	126 Å²	126	128.4 Å²	128.4	66%	0.66	71%	0.712	S	S	*	*			trans	-52.7	132.1	-179.6	-64.9	177.9	0	0	0	109.7	P9 T13 V17	P9-L11 PolarHBondContact O-N 3.01Å; L11-T13 PolarHBondContact O-N 2.91Å; L11-V17 HydrophobicContact CD1-CG1 4.17Å; L11-V17 HydrophobicContact CD2-CG1 4.38Å
12	S	91.3	Very high	79.2	Confident	53 Å²	53	121.7 Å²	121.7	37%	0.371	69%	0.687	S	S	.	*			trans	-58.7	133.1	176	176.1	0	0	0	0	109.5	K10 T14 D15	K10-S12 PolarHBondContact O-N 3.01Å; S12-T14 VanDerWaalsContact C-N 3.27Å; S12-T14 PolarHBondContact OG-N 3.46Å; S12-T14 PolarHBondContact OG-OG1 2.84Å; S12-D15 PolarHBondContact OG-N 3.18Å; S12-D15 PolarHBondContact OG-OD1 3.35Å
13	T	93.1	Very high	81.4	Confident	146 Å²	146	122.7 Å²	122.7	90%	0.896	68%	0.677	S	S	*	*	S	Bend	trans	-84.9	-2.7	175	52.4	0	0	0	0	112.7	L11	L11-T13 PolarHBondContact O-N 2.91Å
14	T	94.2	Very high	83.6	Confident	125 Å²	125	116.4 Å²	116.4	77%	0.767	65%	0.652	S	S	*	*	S	Bend	trans	-112.5	-34.2	178.3	53.4	0	0	0	0	113.1	S12	S12-T14 VanDerWaalsContact C-N 3.27Å; S12-T14 PolarHBondContact OG-N 3.46Å; S12-T14 PolarHBondContact OG-OG1 2.84Å
15	D	94	Very high	85.8	Confident	73 Å²	73	112.6 Å²	112.6	39%	0.39	63%	0.627	S	S	.	*	S	Bend	trans	-83.1	149.7	-178.9	-58.4	35.6	0	0	0	110.4	S12 V17 K19	S12-D15 PolarHBondContact OG-N 3.18Å; S12-D15 PolarHBondContact OG-OD1 3.35Å; D15-V17 PolarHBondContact O-N 2.64Å; D15-K19 WeakPolarHBondContact OD2-CE 3.35Å; D15-K19 IonicContact OD2-NZ 3.84Å; D15-K19 PolarHBondContact OD2-NZ 2.59Å
16	R	93.4	Very high	87.9	Confident	98 Å²	98	108.3 Å²	108.3	37%	0.37	62%	0.621	S	S	.	*			trans	-61.8	123.4	166.5	-69.9	175.1	63.9	-107.4	8	109.7	K19 V21 P22	R16-K19 WeakPolarHBondContact O-CG 3.31Å; R16-V21 VanDerWaalsContact CZ-O 3.27Å; R16-V21 PolarHBondContact NH1-O 2.99Å; R16-V21 PolarHBondContact NH2-O 2.85Å; R16-P22 PolarHBondContact NH2-O 3.26Å
17	V	93.7	Very high	89.8	Confident	98 Å²	98	108.2 Å²	108.2	59%	0.594	60%	0.604	S	S	*	*	S	Bend	trans	-56.8	-51.7	179.3	178.1	0	0	0	0	111	L11 D15 K19	L11-V17 HydrophobicContact CD1-CG1 4.17Å; L11-V17 HydrophobicContact CD2-CG1 4.38Å; D15-V17 PolarHBondContact O-N 2.64Å; V17-K19 PolarHBondContact O-N 3.28Å; V17-K19 VanDerWaalsContact O-N 3.11Å
18	V	93.8	Very high	91.9	Very high	93 Å²	93	105 Å²	105	56%	0.564	58%	0.581	S	S	*	*			trans	-88.7	76.4	-179.3	-168.4	0	0	0	0	110.1	A20 V21	V18-A20 PolarHBondContact O-N 2.83Å; V18-A20 VanDerWaalsContact O-N 3.15Å; V18-V21 HydrophobicContact CG1-CB 4.39Å; V18-V21 HydrophobicContact CG1-CG2 3.79Å; V18-V21 PolarHBondContact O-N 3.26Å
19	K	93.9	Very high	93.7	Very high	147 Å²	147	98.7 Å²	98.7	64%	0.639	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.3	-179.1	-63.7	-169.5	175.2	-172	0	114.4	D15 R16 V17	D15-K19 WeakPolarHBondContact OD2-CE 3.35Å; D15-K19 IonicContact OD2-NZ 3.84Å; D15-K19 PolarHBondContact OD2-NZ 2.59Å; R16-K19 WeakPolarHBondContact O-CG 3.31Å; V17-K19 PolarHBondContact O-N 3.28Å; V17-K19 VanDerWaalsContact O-N 3.11Å
20	A	96.8	Very high	95	Very high	96 Å²	96	95.9 Å²	95.9	79%	0.793	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.7	178.1	0	0	0	0	0	114.1	V18	V18-A20 PolarHBondContact O-N 2.83Å; V18-A20 VanDerWaalsContact O-N 3.15Å
21	V	96.1	Very high	95.7	Very high	81 Å²	81	88.3 Å²	88.3	49%	0.491	50%	0.504	S	S	.	.	S	Bend	trans	-79.3	125.2	172.2	176.3	0	0	0	0	107.4	R16 V18	R16-V21 VanDerWaalsContact CZ-O 3.27Å; R16-V21 PolarHBondContact NH1-O 2.99Å; R16-V21 PolarHBondContact NH2-O 2.85Å; V18-V21 HydrophobicContact CG1-CB 4.39Å; V18-V21 HydrophobicContact CG1-CG2 3.79Å; V18-V21 PolarHBondContact O-N 3.26Å
22	P	96	Very high	96.2	Very high	103 Å²	103	91.2 Å²	91.2	67%	0.669	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-55.2	159.7	176.1	-26.6	36	0	0	0	113	R16	R16-P22 PolarHBondContact NH2-O 3.26Å
23	F	97.1	Very high	96.5	Very high	138 Å²	138	91.4 Å²	91.4	61%	0.605	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-100.1	127.9	167.5	-175.5	-103.7	0	0	0	108.6
24	P	97.9	Very high	96.8	Very high	47 Å²	47	84.5 Å²	84.5	31%	0.305	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-55.2	137.3	178.7	-31.5	38.9	0	0	0	112.7	S26 E53	P24-S26 PolarHBondContact O-N 2.9Å; P24-E53 HydrophobicContact CB-CB 4.15Å; P24-E53 HydrophobicContact CG-CB 4.23Å; P24-E53 WeakPolarHBondContact CG-OE2 3.48Å
25	P	98.2	Very high	97	Very high	44 Å²	44	79 Å²	79	29%	0.286	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-71.9	120	-175.7	29.6	-31.6	0	0	0	109.9	H27 K52	P25-H27 PolarHBondContact O-N 2.82Å; P25-K52 WeakPolarHBondContact CD-O 3.28Å; P25-K52 HydrophobicContact CG-CB 4.33Å
26	S	97.9	Very high	97.2	Very high	104 Å²	104	78.4 Å²	78.4	73%	0.727	43%	0.427	S	S	*	.			trans	-72.5	-12.5	177.5	-42.5	0	0	0	0	113.4	P24	P24-S26 PolarHBondContact O-N 2.9Å
27	H	98.5	Very high	97.4	Very high	97 Å²	97	82.1 Å²	82.1	45%	0.449	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-67.5	134.6	173.2	179	44.5	0	0	0	110.9	P25 E33 H49	P25-H27 PolarHBondContact O-N 2.82Å; H27-E33 IonicContact CD2-OE1 3.64Å; H27-E33 IonicContact CE1-OE1 2.81Å; H27-E33 IonicContact CE1-OE2 3.33Å; H27-E33 IonicContact NE2-OE1 2.75Å; H27-E33 PolarHBondContact NE2-OE1 3.39Å; H27-E33 IonicContact NE2-OE2 3.85Å; H27-E33 PolarHBondContact NE2-OE2 3.02Å; H27-H49 PolarHBondContact O-CE1 3.01Å; H27-H49 PolarHBondContact O-NE2 3Å
28	R	98.8	Very high	97.6	Very high	89 Å²	89	83.2 Å²	83.2	34%	0.336	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.7	174.7	-78	-175.7	178.7	-92.7	6.6	108.9	T30 R55 L56 E57 K169	R28-T30 PolarHBondContact O-N 2.93Å; R28-R55 VanDerWaalsContact CA-O 3.3Å; R28-R55 WeakPolarHBondContact CA-O 3.3Å; R28-R55 HydrophobicContact CG-CB 4.4Å; R28-L56 WeakPolarHBondContact CD-O 3.46Å; R28-L56 WeakPolarHBondContact CG-O 3.4Å; R28-L56 PolarHBondContact NH1-O 3.34Å; R28-E57 HydrophobicContact CB-CG 4.1Å; R28-K169 PolarHBondContact NH1-O 3.15Å; R28-K169 PolarHBondContact NH2-O 3.48Å
29	L	98.8	Very high	97.7	Very high	9 Å²	9	80 Å²	80	5%	0.047	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	130.6	-176.6	-63.5	179.5	0	0	0	111.3	E33 V34 I45 H49 R55 L56 E57	L29-E33 HydrophobicContact CB-CB 4.41Å; L29-E33 HydrophobicContact CD2-CB 4.17Å; L29-E33 WeakPolarHBondContact CD2-OE1 3.29Å; L29-V34 HydrophobicContact CB-CG2 3.58Å; L29-V34 HydrophobicContact CD1-CG2 3.92Å; L29-V34 HydrophobicContact CG-CG2 4.42Å; L29-I45 HydrophobicContact CD1-CG2 4.05Å; L29-H49 HydrophobicContact CD1-CB 3.7Å; L29-H49 HydrophobicContact CG-CB 4.44Å; L29-R55 PolarHBondContact N-O 3.13Å; L29-L56 HydrophobicContact CB-CD2 3.98Å; L29-L56 HydrophobicContact CD1-CD2 4.03Å; L29-L56 HydrophobicContact CG-CD2 4.35Å; L29-E57 PolarHBondContact O-N 2.96Å; L29-E57 VanDerWaalsContact O-N 3.08Å
30	T	98.9	Very high	97.9	Very high	43 Å²	43	77.5 Å²	77.5	26%	0.264	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-84.3	166.3	178.8	68.2	0	0	0	0	112	R28 K32 E33 V34 E57	R28-T30 PolarHBondContact O-N 2.93Å; T30-K32 PolarHBondContact O-N 2.79Å; T30-K32 VanDerWaalsContact O-N 3.11Å; T30-E33 VanDerWaalsContact CB-OE2 3.31Å; T30-E33 WeakPolarHBondContact CB-OE2 3.41Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.34Å; T30-E33 PolarHBondContact N-OE2 3.19Å; T30-E33 PolarHBondContact O-N 3.27Å; T30-E33 PolarHBondContact OG1-OE2 3.46Å; T30-V34 PolarHBondContact O-N 3.43Å; T30-E57 WeakPolarHBondContact CA-OE2 3.4Å
31	A	98.6	Very high	98	Very high	44 Å²	44	73 Å²	73	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-57	-29.2	179.1	0	0	0	0	0	113.7	F35 V60	A31-F35 WeakPolarHBondContact O-CB 3.33Å; A31-F35 PolarHBondContact O-N 2.85Å; A31-V60 HydrophobicContact CB-CG2 4.01Å; A31-V60 VanDerWaalsContact N-CG2 3.26Å
32	K	98.4	Very high	98.1	Very high	188 Å²	188	74.3 Å²	74.3	82%	0.817	39%	0.39	S	S	*	.	H	α-helix	trans	-78.9	-19.4	178.8	-66.1	-176.5	178.5	-179.5	0	114.1	T30	T30-K32 PolarHBondContact O-N 2.79Å; T30-K32 VanDerWaalsContact O-N 3.11Å
33	E	98.7	Very high	98.3	Very high	57 Å²	57	70 Å²	70	27%	0.266	36%	0.362	S	S	.	.	H	α-helix	trans	-87.2	-39.2	176.5	-68.9	161.3	99.5	0	0	110.5	H27 L29 T30 R42	H27-E33 IonicContact CD2-OE1 3.64Å; H27-E33 IonicContact CE1-OE1 2.81Å; H27-E33 IonicContact CE1-OE2 3.33Å; H27-E33 IonicContact NE2-OE1 2.75Å; H27-E33 PolarHBondContact NE2-OE1 3.39Å; H27-E33 IonicContact NE2-OE2 3.85Å; H27-E33 PolarHBondContact NE2-OE2 3.02Å; L29-E33 HydrophobicContact CB-CB 4.41Å; L29-E33 HydrophobicContact CD2-CB 4.17Å; L29-E33 WeakPolarHBondContact CD2-OE1 3.29Å; T30-E33 VanDerWaalsContact CB-OE2 3.31Å; T30-E33 WeakPolarHBondContact CB-OE2 3.41Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.34Å; T30-E33 PolarHBondContact N-OE2 3.19Å; T30-E33 PolarHBondContact O-N 3.27Å; T30-E33 PolarHBondContact OG1-OE2 3.46Å; E33-R42 PolarHBondContact O-NH1 3.48Å
34	V	98.8	Very high	98.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-85.1	-32.1	-175.5	178.9	0	0	0	0	113.4	L29 T30 P41 R42 L56 V60 I64	L29-V34 HydrophobicContact CB-CG2 3.58Å; L29-V34 HydrophobicContact CD1-CG2 3.92Å; L29-V34 HydrophobicContact CG-CG2 4.42Å; T30-V34 PolarHBondContact O-N 3.43Å; V34-P41 CarbonylContact O-C 3.47Å; V34-P41 WeakPolarHBondContact O-CA 3.41Å; V34-R42 WeakPolarHBondContact O-CB 3.44Å; V34-R42 PolarHBondContact O-N 3.33Å; V34-L56 HydrophobicContact CG2-CD2 4.2Å; V34-V60 HydrophobicContact CB-CG1 3.84Å; V34-V60 HydrophobicContact CG1-CG1 3.91Å; V34-V60 HydrophobicContact CG2-CG1 3.79Å; V34-I64 HydrophobicContact CG1-CD1 4.06Å
35	F	98.8	Very high	98.3	Very high	9 Å²	9	70.3 Å²	70.3	4%	0.039	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-114.3	146	179.1	-62.1	-91.2	0	0	0	111.7	A31 G39 K40 P41 V60 R63 I64	A31-F35 WeakPolarHBondContact O-CB 3.33Å; A31-F35 PolarHBondContact O-N 2.85Å; F35-G39 VanDerWaalsContact CD1-O 3.26Å; F35-G39 WeakPolarHBondContact CD1-O 3.22Å; F35-K40 CarbonylContact C-O 3.07Å; F35-K40 VanDerWaalsContact CA-O 3.29Å; F35-K40 WeakPolarHBondContact CA-O 3.4Å; F35-P41 HydrophobicContact CD1-CB 4.23Å; F35-P41 HydrophobicContact CE1-CB 4.17Å; F35-V60 HydrophobicContact CE2-CG1 4.1Å; F35-R63 HydrophobicContact CE2-CB 4.35Å; F35-R63 HydrophobicContact CE2-CG 4.08Å; F35-R63 HydrophobicContact CZ-CB 4.27Å; F35-R63 HydrophobicContact CZ-CG 3.77Å; F35-I64 HydrophobicContact CE2-CG1 4.31Å; F35-I64 HydrophobicContact CZ-CG1 3.74Å
36	D	98.2	Very high	98.3	Very high	62 Å²	62	68.2 Å²	68.2	33%	0.332	35%	0.353	S	S	.	.			trans	-86.5	-177.2	172.8	69.8	21.3	0	0	0	112.9	D38 G39 K40 R42	D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 WeakPolarHBondContact OD1-CA 3.46Å; D36-D38 WeakPolarHBondContact OD1-CB 3.46Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D36-G39 PolarHBondContact O-N 2.77Å; D36-G39 PolarHBondContact OD1-N 2.98Å; D36-G39 VanDerWaalsContact OD1-N 3.09Å; D36-K40 PolarHBondContact N-O 2.6Å; D36-K40 PolarHBondContact OD1-N 3.27Å; D36-R42 HydrophobicContact CB-CG 4.11Å
37	N	97.3	Very high	98.4	Very high	175 Å²	175	65.4 Å²	65.4	94%	0.936	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.7	-178.5	-63.2	-23.5	0	0	0	113.6
38	D	97.4	Very high	98.4	Very high	122 Å²	122	62.9 Å²	62.9	65%	0.652	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.6	173.3	-66.8	-7.4	0	0	0	111.3	D36 K40	D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 WeakPolarHBondContact OD1-CA 3.46Å; D36-D38 WeakPolarHBondContact OD1-CB 3.46Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D38-K40 HydrophobicContact CB-CD 4.13Å; D38-K40 HydrophobicContact CB-CG 4.27Å; D38-K40 IonicContact OD2-NZ 3.66Å; D38-K40 PolarHBondContact OD2-NZ 2.92Å
39	G	96.9	Very high	98.4	Very high	26 Å²	26	59.6 Å²	59.6	27%	0.268	31%	0.312	S	S	.	.	S	Bend	trans	83.5	8.4	-177.1	0	0	0	0	0	114.6	F35 D36 R63	F35-G39 VanDerWaalsContact CD1-O 3.26Å; F35-G39 WeakPolarHBondContact CD1-O 3.22Å; D36-G39 PolarHBondContact O-N 2.77Å; D36-G39 PolarHBondContact OD1-N 2.98Å; D36-G39 VanDerWaalsContact OD1-N 3.09Å; G39-R63 PolarHBondContact O-NH2 2.89Å; G39-R63 VanDerWaalsContact O-NH2 3.14Å
40	K	98.4	Very high	98.4	Very high	93 Å²	93	59.1 Å²	59.1	40%	0.404	31%	0.31	S	S	.	.			trans	-84	147	-178.9	-61	163	-173.8	149.3	0	111.3	F35 D36 D38 L139	F35-K40 CarbonylContact C-O 3.07Å; F35-K40 VanDerWaalsContact CA-O 3.29Å; F35-K40 WeakPolarHBondContact CA-O 3.4Å; D36-K40 PolarHBondContact N-O 2.6Å; D36-K40 PolarHBondContact OD1-N 3.27Å; D38-K40 HydrophobicContact CB-CD 4.13Å; D38-K40 HydrophobicContact CB-CG 4.27Å; D38-K40 IonicContact OD2-NZ 3.66Å; D38-K40 PolarHBondContact OD2-NZ 2.92Å; K40-L139 HydrophobicContact CB-CD1 4.17Å; K40-L139 HydrophobicContact CD-CD1 4.44Å
41	P	98.7	Very high	98.3	Very high	3 Å²	3	61 Å²	61	2%	0.019	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-77.6	133.1	179.2	30.2	-33.3	0	0	0	112	V34 F35 V43 A135 I138 L139	V34-P41 CarbonylContact O-C 3.47Å; V34-P41 WeakPolarHBondContact O-CA 3.41Å; F35-P41 HydrophobicContact CD1-CB 4.23Å; F35-P41 HydrophobicContact CE1-CB 4.17Å; P41-V43 VanDerWaalsContact C-N 3.34Å; P41-V43 PolarHBondContact O-N 3.44Å; P41-A135 HydrophobicContact CB-CB 3.99Å; P41-A135 HydrophobicContact CG-CB 4.11Å; P41-A135 WeakPolarHBondContact CG-O 3.33Å; P41-I138 HydrophobicContact CG-CB 4.09Å; P41-I138 HydrophobicContact CG-CG2 4.07Å; P41-L139 HydrophobicContact CG-CB 4.21Å
42	R	98.7	Very high	98.3	Very high	107 Å²	107	64.8 Å²	64.8	40%	0.404	33%	0.325	S	S	.	.			trans	-85.4	73.6	-177.4	-58.4	179.6	68.2	-133.8	2.7	109.5	E33 V34 D36 D44 I45 L46	E33-R42 PolarHBondContact O-NH1 3.48Å; V34-R42 WeakPolarHBondContact O-CB 3.44Å; V34-R42 PolarHBondContact O-N 3.33Å; D36-R42 HydrophobicContact CB-CG 4.11Å; R42-D44 PolarHBondContact O-N 3.14Å; R42-D44 VanDerWaalsContact O-N 3.09Å; R42-I45 HydrophobicContact CB-CB 4.41Å; R42-I45 HydrophobicContact CB-CG1 4.07Å; R42-I45 WeakPolarHBondContact O-CB 3.3Å; R42-I45 PolarHBondContact O-N 3.07Å; R42-L46 PolarHBondContact O-N 3.03Å
43	V	98.3	Very high	98.4	Very high	12 Å²	12	60.4 Å²	60.4	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-56.2	-29.2	-168.1	-66.4	0	0	0	0	114.6	P41 I45 L46 K47 Y132 A135 L136 L139	P41-V43 VanDerWaalsContact C-N 3.34Å; P41-V43 PolarHBondContact O-N 3.44Å; V43-I45 PolarHBondContact O-N 3.34Å; V43-L46 PolarHBondContact O-N 2.87Å; V43-K47 WeakPolarHBondContact O-CB 3.48Å; V43-K47 PolarHBondContact O-N 3.46Å; V43-Y132 HydrophobicContact CB-CE2 4.19Å; V43-A135 HydrophobicContact CG1-CB 4.22Å; V43-L136 HydrophobicContact CB-CD2 4.44Å; V43-L136 HydrophobicContact CG1-CD2 4.06Å; V43-L136 HydrophobicContact CG1-CG 4.48Å; V43-L136 HydrophobicContact CG2-CD2 4.47Å; V43-L139 HydrophobicContact CB-CD2 4.41Å; V43-L139 HydrophobicContact CG1-CD2 3.84Å; V43-L139 HydrophobicContact CG2-CD2 3.67Å
44	D	97.9	Very high	98.4	Very high	129 Å²	129	57.7 Å²	57.7	69%	0.69	29%	0.294	S	S	*	.	H	α-helix	trans	-63.3	-40.8	174.6	-56.9	-48.5	0	0	0	112.6	R42 A48	R42-D44 PolarHBondContact O-N 3.14Å; R42-D44 VanDerWaalsContact O-N 3.09Å; D44-A48 WeakPolarHBondContact O-CB 3.48Å; D44-A48 PolarHBondContact O-N 3.44Å
45	I	98.6	Very high	98.4	Very high	63 Å²	63	62 Å²	62	32%	0.323	31%	0.311	S	S	.	.	H	α-helix	trans	-67.7	-41.3	176.5	-54.9	-61.3	0	0	0	109.7	L29 R42 V43 A48 H49	L29-I45 HydrophobicContact CD1-CG2 4.05Å; R42-I45 HydrophobicContact CB-CB 4.41Å; R42-I45 HydrophobicContact CB-CG1 4.07Å; R42-I45 WeakPolarHBondContact O-CB 3.3Å; R42-I45 PolarHBondContact O-N 3.07Å; V43-I45 PolarHBondContact O-N 3.34Å; I45-A48 PolarHBondContact O-N 2.79Å; I45-H49 WeakPolarHBondContact O-CB 3.44Å; I45-H49 PolarHBondContact O-N 3.19Å; I45-H49 VanDerWaalsContact O-N 3.13Å
46	L	98.5	Very high	98.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-53.5	177.4	-171.3	61.4	0	0	0	110.7	R42 V43 A48 H49 L50 L56 I64 Y132 A135	R42-L46 PolarHBondContact O-N 3.03Å; V43-L46 PolarHBondContact O-N 2.87Å; L46-A48 VanDerWaalsContact C-N 3.35Å; L46-A48 PolarHBondContact O-N 3.11Å; L46-H49 PolarHBondContact O-N 3.46Å; L46-H49 VanDerWaalsContact O-N 3.15Å; L46-L50 HydrophobicContact CD1-CD1 3.85Å; L46-L50 HydrophobicContact CD1-CD2 4.16Å; L46-L50 HydrophobicContact CD1-CG 3.88Å; L46-L50 HydrophobicContact CG-CD1 3.84Å; L46-L50 HydrophobicContact CG-CG 4.17Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.99Å; L46-L56 HydrophobicContact CD1-CD1 3.99Å; L46-L56 HydrophobicContact CD1-CD2 3.71Å; L46-L56 HydrophobicContact CD1-CG 4.38Å; L46-I64 HydrophobicContact CD2-CD1 4.4Å; L46-Y132 HydrophobicContact CB-CD2 4.45Å; L46-Y132 HydrophobicContact CD2-CD2 3.96Å; L46-Y132 HydrophobicContact CG-CD2 4.07Å; L46-A135 HydrophobicContact CD2-CB 3.47Å; L46-A135 VanDerWaalsContact CD2-CB 3.47Å
47	K	98.5	Very high	98.4	Very high	45 Å²	45	62.1 Å²	62.1	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-52.4	-51.5	174.6	175.7	164.8	-179.7	171.2	0	111.1	V43 H49 M51 M99 E103 Y132	V43-K47 WeakPolarHBondContact O-CB 3.48Å; V43-K47 PolarHBondContact O-N 3.46Å; K47-H49 PolarHBondContact O-N 2.81Å; K47-H49 VanDerWaalsContact O-N 3.16Å; K47-M51 HydrophobicContact CD-SD 4.1Å; K47-M51 WeakPolarHBondContact CE-SD 3.46Å; K47-M51 HydrophobicContact CG-CG 4.19Å; K47-M51 HydrophobicContact CG-SD 3.49Å; K47-M51 WeakPolarHBondContact CG-SD 3.41Å; K47-M51 VanDerWaalsContact O-CB 3.25Å; K47-M51 WeakPolarHBondContact O-CB 3.47Å; K47-M51 VanDerWaalsContact O-CG 3.23Å; K47-M51 WeakPolarHBondContact O-CG 3.43Å; K47-M51 PolarHBondContact O-N 3.36Å; K47-M99 HydrophobicContact CD-SD 3.54Å; K47-M99 VanDerWaalsContact CD-SD 3.54Å; K47-M99 VanDerWaalsContact CE-SD 3.5Å; K47-M99 HydrophobicContact CG-SD 3.67Å; K47-E103 IonicContact NZ-OE1 3.92Å; K47-Y132 HydrophobicContact CB-CE2 3.74Å
48	A	98.5	Very high	98.5	Very high	45 Å²	45	56.7 Å²	56.7	37%	0.372	28%	0.278	S	S	.	.	H	α-helix	trans	-67.7	-13.3	-176.3	0	0	0	0	0	115	D44 I45 L46 K52	D44-A48 WeakPolarHBondContact O-CB 3.48Å; D44-A48 PolarHBondContact O-N 3.44Å; I45-A48 PolarHBondContact O-N 2.79Å; L46-A48 VanDerWaalsContact C-N 3.35Å; L46-A48 PolarHBondContact O-N 3.11Å; A48-K52 WeakPolarHBondContact O-CD 3.45Å; A48-K52 VanDerWaalsContact O-CE 3.28Å; A48-K52 WeakPolarHBondContact O-CE 3.43Å; A48-K52 PolarHBondContact O-NZ 3.35Å
49	H	98.8	Very high	98.5	Very high	19 Å²	19	54.3 Å²	54.3	9%	0.088	27%	0.272	C	S	.	.	H	α-helix	trans	-100.8	-46.8	175.6	-169.3	73.3	0	0	0	112	H27 L29 I45 L46 K47 M51 K52 G54 R55	H27-H49 PolarHBondContact O-CE1 3.01Å; H27-H49 PolarHBondContact O-NE2 3Å; L29-H49 HydrophobicContact CD1-CB 3.7Å; L29-H49 HydrophobicContact CG-CB 4.44Å; I45-H49 WeakPolarHBondContact O-CB 3.44Å; I45-H49 PolarHBondContact O-N 3.19Å; I45-H49 VanDerWaalsContact O-N 3.13Å; L46-H49 PolarHBondContact O-N 3.46Å; L46-H49 VanDerWaalsContact O-N 3.15Å; K47-H49 PolarHBondContact O-N 2.81Å; K47-H49 VanDerWaalsContact O-N 3.16Å; H49-M51 VanDerWaalsContact C-N 3.32Å; H49-M51 PolarHBondContact O-N 3.1Å; H49-K52 PolarHBondContact O-N 3.1Å; H49-G54 PolarHBondContact CD2-O 3.22Å; H49-G54 VanDerWaalsContact NE2-C 3.26Å; H49-G54 WeakPolarHBondContact NE2-CA 3.33Å; H49-G54 WeakPolarHBondContact O-CA 3.48Å; H49-G54 PolarHBondContact O-N 3.4Å; H49-R55 PolarHBondContact CD2-O 2.68Å; H49-R55 PolarHBondContact NE2-N 3.23Å; H49-R55 VanDerWaalsContact NE2-N 3.17Å; H49-R55 PolarHBondContact NE2-O 3.37Å
50	L	98.7	Very high	98.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-38.2	177	-61.1	-172.9	0	0	0	111.6	L46 K52 E53 G54 F95 E128	L46-L50 HydrophobicContact CD1-CD1 3.85Å; L46-L50 HydrophobicContact CD1-CD2 4.16Å; L46-L50 HydrophobicContact CD1-CG 3.88Å; L46-L50 HydrophobicContact CG-CD1 3.84Å; L46-L50 HydrophobicContact CG-CG 4.17Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.99Å; L50-K52 PolarHBondContact O-N 3.34Å; L50-E53 PolarHBondContact O-N 2.92Å; L50-G54 WeakPolarHBondContact CD2-O 3.24Å; L50-F95 HydrophobicContact CB-CE1 3.63Å; L50-F95 HydrophobicContact CB-CE2 4.36Å; L50-F95 HydrophobicContact CB-CZ 3.53Å; L50-F95 HydrophobicContact CD1-CE2 4.09Å; L50-F95 HydrophobicContact CD1-CZ 3.99Å; L50-F95 HydrophobicContact CG-CZ 4.4Å; L50-E128 HydrophobicContact CB-CB 4.4Å; L50-E128 HydrophobicContact CB-CG 4.19Å; L50-E128 HydrophobicContact CD1-CB 4.09Å; L50-E128 HydrophobicContact CD1-CG 4.37Å; L50-E128 HydrophobicContact CD2-CG 4.05Å; L50-E128 HydrophobicContact CG-CG 4.41Å
51	M	98.4	Very high	98.6	Very high	82 Å²	82	48.8 Å²	48.8	40%	0.404	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-7.8	172.9	-76	177.8	62.1	0	0	114.5	K47 H49 F95 M99	K47-M51 HydrophobicContact CD-SD 4.1Å; K47-M51 WeakPolarHBondContact CE-SD 3.46Å; K47-M51 HydrophobicContact CG-CG 4.19Å; K47-M51 HydrophobicContact CG-SD 3.49Å; K47-M51 WeakPolarHBondContact CG-SD 3.41Å; K47-M51 VanDerWaalsContact O-CB 3.25Å; K47-M51 WeakPolarHBondContact O-CB 3.47Å; K47-M51 VanDerWaalsContact O-CG 3.23Å; K47-M51 WeakPolarHBondContact O-CG 3.43Å; K47-M51 PolarHBondContact O-N 3.36Å; H49-M51 VanDerWaalsContact C-N 3.32Å; H49-M51 PolarHBondContact O-N 3.1Å; M51-F95 HydrophobicContact CG-CE1 3.98Å; M51-M99 HydrophobicContact CG-CG 4.03Å; M51-M99 HydrophobicContact SD-CG 4.12Å
52	K	98.6	Very high	98.7	Very high	124 Å²	124	50 Å²	50	54%	0.539	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	16.9	176.1	-59.8	174.7	-174.4	132.8	0	111.9	P25 A48 H49 L50 G54	P25-K52 WeakPolarHBondContact CD-O 3.28Å; P25-K52 HydrophobicContact CG-CB 4.33Å; A48-K52 WeakPolarHBondContact O-CD 3.45Å; A48-K52 VanDerWaalsContact O-CE 3.28Å; A48-K52 WeakPolarHBondContact O-CE 3.43Å; A48-K52 PolarHBondContact O-NZ 3.35Å; H49-K52 PolarHBondContact O-N 3.1Å; L50-K52 PolarHBondContact O-N 3.34Å; K52-G54 PolarHBondContact O-N 2.65Å
53	E	98.7	Very high	98.7	Very high	95 Å²	95	48.4 Å²	48.4	44%	0.444	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	20	-171.3	-48.7	178.3	86.8	0	0	113.4	P24 L50 F125	P24-E53 HydrophobicContact CB-CB 4.15Å; P24-E53 HydrophobicContact CG-CB 4.23Å; P24-E53 WeakPolarHBondContact CG-OE2 3.48Å; L50-E53 PolarHBondContact O-N 2.92Å; E53-F125 HydrophobicContact CG-CE1 4.21Å
54	G	98.7	Very high	98.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.			trans	-72.7	142.1	177.5	0	0	0	0	0	111.7	H49 L50 K52	H49-G54 PolarHBondContact CD2-O 3.22Å; H49-G54 VanDerWaalsContact NE2-C 3.26Å; H49-G54 WeakPolarHBondContact NE2-CA 3.33Å; H49-G54 WeakPolarHBondContact O-CA 3.48Å; H49-G54 PolarHBondContact O-N 3.4Å; L50-G54 WeakPolarHBondContact CD2-O 3.24Å; K52-G54 PolarHBondContact O-N 2.65Å
55	R	98.9	Very high	98.7	Very high	92 Å²	92	41.7 Å²	41.7	35%	0.347	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	162.4	-174.1	-51.9	-179.6	-162.2	-179	2.3	111.5	R28 L29 H49 I168 K169 Y170	R28-R55 VanDerWaalsContact CA-O 3.3Å; R28-R55 WeakPolarHBondContact CA-O 3.3Å; R28-R55 HydrophobicContact CG-CB 4.4Å; L29-R55 PolarHBondContact N-O 3.13Å; H49-R55 PolarHBondContact CD2-O 2.68Å; H49-R55 PolarHBondContact NE2-N 3.23Å; H49-R55 VanDerWaalsContact NE2-N 3.17Å; H49-R55 PolarHBondContact NE2-O 3.37Å; R55-I168 PolarHBondContact NH1-O 2.9Å; R55-K169 WeakPolarHBondContact CD-O 3.46Å; R55-Y170 HydrophobicContact CB-CE1 4.29Å
56	L	98.9	Very high	98.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	169.9	173.5	-46.2	-176	0	0	0	111	R28 L29 V34 L46 V60 I64 L131 Y170	R28-L56 WeakPolarHBondContact CD-O 3.46Å; R28-L56 WeakPolarHBondContact CG-O 3.4Å; R28-L56 PolarHBondContact NH1-O 3.34Å; L29-L56 HydrophobicContact CB-CD2 3.98Å; L29-L56 HydrophobicContact CD1-CD2 4.03Å; L29-L56 HydrophobicContact CG-CD2 4.35Å; V34-L56 HydrophobicContact CG2-CD2 4.2Å; L46-L56 HydrophobicContact CD1-CD1 3.99Å; L46-L56 HydrophobicContact CD1-CD2 3.71Å; L46-L56 HydrophobicContact CD1-CG 4.38Å; L56-V60 HydrophobicContact CB-CB 4.27Å; L56-V60 HydrophobicContact CB-CG1 4.29Å; L56-V60 HydrophobicContact CD1-CG1 4.13Å; L56-I64 HydrophobicContact CD1-CD1 3.66Å; L56-L131 HydrophobicContact CD1-CD1 3.98Å; L56-L131 HydrophobicContact CD1-CD2 4.25Å; L56-L131 HydrophobicContact CG-CD1 4.42Å; L56-Y170 HydrophobicContact CB-CE1 4.09Å; L56-Y170 PolarHBondContact N-OH 2.75Å; L56-Y170 WeakPolarHBondContact O-CE1 3.24Å
57	E	98.9	Very high	98.8	Very high	72 Å²	72	45 Å²	45	34%	0.336	22%	0.223	S	C	.	.			trans	-66	151.2	157.8	-65.6	-174.1	130.7	0	0	110.5	R28 L29 T30 S59 V60 A61	R28-E57 HydrophobicContact CB-CG 4.1Å; L29-E57 PolarHBondContact O-N 2.96Å; L29-E57 VanDerWaalsContact O-N 3.08Å; T30-E57 WeakPolarHBondContact CA-OE2 3.4Å; E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.94Å; E57-V60 HydrophobicContact CB-CB 4.35Å; E57-V60 HydrophobicContact CB-CG2 3.94Å; E57-V60 PolarHBondContact O-N 2.8Å; E57-V60 VanDerWaalsContact O-N 3.1Å; E57-A61 PolarHBondContact O-N 2.86Å
58	E	98.8	Very high	98.8	Very high	61 Å²	61	42.8 Å²	42.8	29%	0.285	21%	0.214	S	C	.	.	H	α-helix	trans	-58.7	-42.7	178.2	-178.6	178.7	106.4	0	0	111.8	V60 A61 L62 S171 R173 V174	E58-V60 PolarHBondContact O-N 2.93Å; E58-A61 PolarHBondContact O-N 3.05Å; E58-L62 HydrophobicContact CG-CD1 3.87Å; E58-L62 HydrophobicContact CG-CG 4.24Å; E58-L62 WeakPolarHBondContact O-CB 3.41Å; E58-L62 VanDerWaalsContact O-CG 3.25Å; E58-L62 WeakPolarHBondContact O-CG 3.25Å; E58-L62 PolarHBondContact O-N 2.7Å; E58-S171 WeakPolarHBondContact OE2-CB 3.29Å; E58-S171 PolarHBondContact OE2-OG 2.71Å; E58-R173 IonicContact OE1-CZ 3.23Å; E58-R173 IonicContact OE1-NE 3.1Å; E58-R173 IonicContact OE1-NH1 2.84Å; E58-R173 PolarHBondContact OE1-NH1 3.49Å; E58-V174 HydrophobicContact CG-CG2 3.91Å
59	S	98.8	Very high	98.8	Very high	73 Å²	73	40.8 Å²	40.8	51%	0.51	20%	0.197	S	C	.	.	H	α-helix	trans	-55.2	-37.6	174.7	47.9	0	0	0	0	113.1	E57 R63	E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.94Å; S59-R63 WeakPolarHBondContact O-CB 3.41Å; S59-R63 PolarHBondContact O-N 2.87Å
60	V	98.9	Very high	98.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-79.1	-42.1	-177.6	179.8	0	0	0	0	110.7	A31 V34 F35 L56 E57 E58 R63 I64	A31-V60 HydrophobicContact CB-CG2 4.01Å; A31-V60 VanDerWaalsContact N-CG2 3.26Å; V34-V60 HydrophobicContact CB-CG1 3.84Å; V34-V60 HydrophobicContact CG1-CG1 3.91Å; V34-V60 HydrophobicContact CG2-CG1 3.79Å; F35-V60 HydrophobicContact CE2-CG1 4.1Å; L56-V60 HydrophobicContact CB-CB 4.27Å; L56-V60 HydrophobicContact CB-CG1 4.29Å; L56-V60 HydrophobicContact CD1-CG1 4.13Å; E57-V60 HydrophobicContact CB-CB 4.35Å; E57-V60 HydrophobicContact CB-CG2 3.94Å; E57-V60 PolarHBondContact O-N 2.8Å; E57-V60 VanDerWaalsContact O-N 3.1Å; E58-V60 PolarHBondContact O-N 2.93Å; V60-R63 PolarHBondContact O-N 2.86Å; V60-I64 WeakPolarHBondContact O-CG1 3.48Å; V60-I64 PolarHBondContact O-N 2.8Å
61	A	98.9	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-51.1	172.2	0	0	0	0	0	111.4	E57 E58 R63 I64 I65 L131 Y170 V174	E57-A61 PolarHBondContact O-N 2.86Å; E58-A61 PolarHBondContact O-N 3.05Å; A61-R63 VanDerWaalsContact C-N 3.28Å; A61-R63 PolarHBondContact O-N 3.19Å; A61-I64 PolarHBondContact O-N 3.23Å; A61-I65 WeakPolarHBondContact O-CD1 3.28Å; A61-I65 VanDerWaalsContact O-CG1 3.3Å; A61-I65 WeakPolarHBondContact O-CG1 3Å; A61-I65 PolarHBondContact O-N 2.82Å; A61-L131 HydrophobicContact CB-CD1 4.46Å; A61-L131 HydrophobicContact CB-CD2 3.89Å; A61-Y170 HydrophobicContact CB-CD1 4.21Å; A61-Y170 HydrophobicContact CB-CE1 4.09Å; A61-V174 HydrophobicContact CB-CG2 4.43Å
62	L	98.9	Very high	98.8	Very high	29 Å²	29	40.2 Å²	40.2	15%	0.152	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-38.3	175.9	-70.3	174.1	0	0	0	112.1	E58 I65 T66 V174 A177	E58-L62 HydrophobicContact CG-CD1 3.87Å; E58-L62 HydrophobicContact CG-CG 4.24Å; E58-L62 WeakPolarHBondContact O-CB 3.41Å; E58-L62 VanDerWaalsContact O-CG 3.25Å; E58-L62 WeakPolarHBondContact O-CG 3.25Å; E58-L62 PolarHBondContact O-N 2.7Å; L62-I65 PolarHBondContact O-N 3.45Å; L62-T66 WeakPolarHBondContact O-CB 3.44Å; L62-T66 WeakPolarHBondContact O-CG2 3.46Å; L62-T66 PolarHBondContact O-N 2.96Å; L62-T66 PolarHBondContact O-OG1 2.93Å; L62-V174 HydrophobicContact CD2-CG2 4.06Å; L62-V174 HydrophobicContact CG-CG2 4.19Å; L62-A177 HydrophobicContact CD2-CB 3.5Å
63	R	98.9	Very high	98.9	Very high	73 Å²	73	40 Å²	40	28%	0.275	20%	0.196	S	C	.	.	H	α-helix	trans	-63.2	-48.8	176.6	-175.2	175.1	176.6	-129.3	-32.6	112	F35 G39 S59 V60 A61 I65 T66 E67	F35-R63 HydrophobicContact CE2-CB 4.35Å; F35-R63 HydrophobicContact CE2-CG 4.08Å; F35-R63 HydrophobicContact CZ-CB 4.27Å; F35-R63 HydrophobicContact CZ-CG 3.77Å; G39-R63 PolarHBondContact O-NH2 2.89Å; G39-R63 VanDerWaalsContact O-NH2 3.14Å; S59-R63 WeakPolarHBondContact O-CB 3.41Å; S59-R63 PolarHBondContact O-N 2.87Å; V60-R63 PolarHBondContact O-N 2.86Å; A61-R63 VanDerWaalsContact C-N 3.28Å; A61-R63 PolarHBondContact O-N 3.19Å; R63-I65 VanDerWaalsContact C-N 3.35Å; R63-I65 PolarHBondContact O-N 2.98Å; R63-T66 PolarHBondContact O-N 3.22Å; R63-T66 PolarHBondContact O-OG1 2.97Å; R63-E67 HydrophobicContact CG-CG 4.29Å; R63-E67 IonicContact CZ-OE1 3.57Å; R63-E67 IonicContact CZ-OE2 3.01Å; R63-E67 IonicContact NE-OE1 2.7Å; R63-E67 PolarHBondContact NE-OE1 3.47Å; R63-E67 IonicContact NE-OE2 2.86Å; R63-E67 IonicContact NH2-OE1 3.81Å; R63-E67 PolarHBondContact NH2-OE1 3.44Å; R63-E67 IonicContact NH2-OE2 3.84Å; R63-E67 PolarHBondContact NH2-OE2 3.05Å; R63-E67 VanDerWaalsContact NH2-OE2 3.15Å; R63-E67 WeakPolarHBondContact O-CB 3.41Å; R63-E67 WeakPolarHBondContact O-CG 3.48Å; R63-E67 PolarHBondContact O-N 2.93Å
64	I	98.9	Very high	98.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-48.3	176.1	-68.4	170.8	0	0	0	110.9	V34 F35 L46 L56 V60 A61 T66 G68 L131 W134 A135 I138	V34-I64 HydrophobicContact CG1-CD1 4.06Å; F35-I64 HydrophobicContact CE2-CG1 4.31Å; F35-I64 HydrophobicContact CZ-CG1 3.74Å; L46-I64 HydrophobicContact CD2-CD1 4.4Å; L56-I64 HydrophobicContact CD1-CD1 3.66Å; V60-I64 WeakPolarHBondContact O-CG1 3.48Å; V60-I64 PolarHBondContact O-N 2.8Å; A61-I64 PolarHBondContact O-N 3.23Å; I64-T66 PolarHBondContact O-N 2.84Å; I64-G68 PolarHBondContact O-N 2.89Å; I64-L131 HydrophobicContact CB-CD2 4.21Å; I64-L131 HydrophobicContact CD1-CD2 4.33Å; I64-L131 HydrophobicContact CG2-CD2 4.2Å; I64-L131 WeakPolarHBondContact CG2-O 3.31Å; I64-W134 HydrophobicContact CG2-CB 3.64Å; I64-A135 HydrophobicContact CG2-CB 4.27Å; I64-I138 HydrophobicContact CG2-CD1 4.36Å; I64-I138 WeakPolarHBondContact O-CD1 3.38Å
65	I	99	Very high	98.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-46.8	-177.4	-66.9	158.4	0	0	0	110.7	A61 L62 R63 A69 L131 W134 V174 A177 C178 A181	A61-I65 WeakPolarHBondContact O-CD1 3.28Å; A61-I65 VanDerWaalsContact O-CG1 3.3Å; A61-I65 WeakPolarHBondContact O-CG1 3Å; A61-I65 PolarHBondContact O-N 2.82Å; L62-I65 PolarHBondContact O-N 3.45Å; R63-I65 VanDerWaalsContact C-N 3.35Å; R63-I65 PolarHBondContact O-N 2.98Å; I65-A69 WeakPolarHBondContact O-CB 3.24Å; I65-A69 PolarHBondContact O-N 2.85Å; I65-L131 HydrophobicContact CD1-CD2 4.15Å; I65-L131 HydrophobicContact CG1-CD2 4.11Å; I65-W134 VanDerWaalsContact O-CD1 3.31Å; I65-V174 HydrophobicContact CD1-CG1 3.78Å; I65-A177 VanDerWaalsContact CG2-C 3.49Å; I65-A177 HydrophobicContact CG2-CB 3.99Å; I65-A177 WeakPolarHBondContact CG2-O 3.3Å; I65-C178 VanDerWaalsContact CD1-SG 3.5Å; I65-A181 HydrophobicContact CG2-CB 3.73Å
66	T	98.9	Very high	98.9	Very high	73 Å²	73	45.2 Å²	45.2	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-76.7	-32.6	-176.1	54.3	0	0	0	0	114.2	L62 R63 I64 S70	L62-T66 WeakPolarHBondContact O-CB 3.44Å; L62-T66 WeakPolarHBondContact O-CG2 3.46Å; L62-T66 PolarHBondContact O-N 2.96Å; L62-T66 PolarHBondContact O-OG1 2.93Å; R63-T66 PolarHBondContact O-N 3.22Å; R63-T66 PolarHBondContact O-OG1 2.97Å; I64-T66 PolarHBondContact O-N 2.84Å; T66-S70 WeakPolarHBondContact O-CB 3.49Å; T66-S70 PolarHBondContact O-N 3.12Å; T66-S70 PolarHBondContact O-OG 2.66Å
67	E	98.9	Very high	98.9	Very high	59 Å²	59	46 Å²	46	28%	0.276	23%	0.226	S	C	.	.	H	α-helix	trans	-68.4	-46.3	172.1	-75.5	179.7	178.7	0	0	111.1	R63 A69 S70 I71 I138	R63-E67 HydrophobicContact CG-CG 4.29Å; R63-E67 IonicContact CZ-OE1 3.57Å; R63-E67 IonicContact CZ-OE2 3.01Å; R63-E67 IonicContact NE-OE1 2.7Å; R63-E67 PolarHBondContact NE-OE1 3.47Å; R63-E67 IonicContact NE-OE2 2.86Å; R63-E67 IonicContact NH2-OE1 3.81Å; R63-E67 PolarHBondContact NH2-OE1 3.44Å; R63-E67 IonicContact NH2-OE2 3.84Å; R63-E67 PolarHBondContact NH2-OE2 3.05Å; R63-E67 VanDerWaalsContact NH2-OE2 3.15Å; R63-E67 WeakPolarHBondContact O-CB 3.41Å; R63-E67 WeakPolarHBondContact O-CG 3.48Å; R63-E67 PolarHBondContact O-N 2.93Å; E67-A69 PolarHBondContact O-N 3.22Å; E67-S70 PolarHBondContact O-N 2.92Å; E67-S70 VanDerWaalsContact O-N 3.15Å; E67-I71 PolarHBondContact O-N 3.03Å; E67-I138 HydrophobicContact CB-CD1 3.73Å; E67-I138 HydrophobicContact CB-CG1 4.04Å
68	G	98.9	Very high	98.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-42.9	175.6	0	0	0	0	0	112.6	I64 S70 I71 L72	I64-G68 PolarHBondContact O-N 2.89Å; G68-S70 VanDerWaalsContact C-N 3.27Å; G68-S70 PolarHBondContact O-N 2.91Å; G68-I71 PolarHBondContact O-N 2.7Å; G68-I71 VanDerWaalsContact O-N 3.14Å; G68-L72 WeakPolarHBondContact O-CG 3.49Å; G68-L72 PolarHBondContact O-N 3.19Å
69	A	98.9	Very high	98.9	Very high	3 Å²	3	40 Å²	40	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-39.5	172.4	0	0	0	0	0	112.7	I65 E67 I71 L72 R73 A181	I65-A69 WeakPolarHBondContact O-CB 3.24Å; I65-A69 PolarHBondContact O-N 2.85Å; E67-A69 PolarHBondContact O-N 3.22Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 3.02Å; A69-L72 PolarHBondContact O-N 2.59Å; A69-R73 VanDerWaalsContact O-CB 3.27Å; A69-R73 WeakPolarHBondContact O-CB 3.36Å; A69-R73 PolarHBondContact O-N 2.93Å; A69-A181 HydrophobicContact CB-CB 3.63Å
70	S	98.9	Very high	98.9	Very high	52 Å²	52	39.6 Å²	39.6	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-70.6	-22.1	-179.9	-60.5	0	0	0	0	113.2	T66 E67 G68 Q74	T66-S70 WeakPolarHBondContact O-CB 3.49Å; T66-S70 PolarHBondContact O-N 3.12Å; T66-S70 PolarHBondContact O-OG 2.66Å; E67-S70 PolarHBondContact O-N 2.92Å; E67-S70 VanDerWaalsContact O-N 3.15Å; G68-S70 VanDerWaalsContact C-N 3.27Å; G68-S70 PolarHBondContact O-N 2.91Å; S70-Q74 PolarHBondContact O-NE2 2.91Å
71	I	98.9	Very high	98.8	Very high	36 Å²	36	39.5 Å²	39.5	19%	0.185	19%	0.19	C	C	.	.	H	α-helix	trans	-78.1	-52.6	168.7	-63.9	164.1	0	0	0	109.7	E67 G68 A69 R73 Q74 K137 I138 P141	E67-I71 PolarHBondContact O-N 3.03Å; G68-I71 PolarHBondContact O-N 2.7Å; G68-I71 VanDerWaalsContact O-N 3.14Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 3.02Å; I71-R73 PolarHBondContact O-N 2.73Å; I71-Q74 WeakPolarHBondContact O-CB 3.21Å; I71-Q74 PolarHBondContact O-N 2.93Å; I71-K137 HydrophobicContact CG2-CG 4.49Å; I71-I138 HydrophobicContact CD1-CB 4.25Å; I71-I138 HydrophobicContact CD1-CG1 4Å; I71-P141 HydrophobicContact CD1-CB 4.39Å; I71-P141 HydrophobicContact CG2-CB 3.95Å
72	L	98.9	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.4	-38.4	179.8	-67.8	168	0	0	0	112.3	G68 A69 Q74 E75 W134 K137 L146 C184 L185 R217	G68-L72 WeakPolarHBondContact O-CG 3.49Å; G68-L72 PolarHBondContact O-N 3.19Å; A69-L72 PolarHBondContact O-N 2.59Å; L72-Q74 PolarHBondContact O-N 2.79Å; L72-E75 WeakPolarHBondContact O-CB 3.36Å; L72-E75 PolarHBondContact O-N 3.07Å; L72-W134 HydrophobicContact CD1-CZ2 3.79Å; L72-K137 HydrophobicContact CD2-CD 4.23Å; L72-K137 HydrophobicContact CD2-CG 4.28Å; L72-K137 HydrophobicContact CG-CG 4.45Å; L72-L146 HydrophobicContact CD2-CB 4.43Å; L72-C184 CarbonylContact C-O 3.53Å; L72-C184 HydrophobicContact CB-CB 3.97Å; L72-L185 HydrophobicContact CD1-CD2 3.68Å; L72-L185 HydrophobicContact CD1-CG 4.26Å; L72-L185 HydrophobicContact CD2-CD2 4.1Å; L72-R217 PolarHBondContact O-NH2 3.03Å
73	R	98.8	Very high	97.4	Very high	121 Å²	121	45.3 Å²	45.3	46%	0.457	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.5	177	-168.5	177.1	-63.5	125.3	0.8	114	A69 I71 C184 F218	A69-R73 VanDerWaalsContact O-CB 3.27Å; A69-R73 WeakPolarHBondContact O-CB 3.36Å; A69-R73 PolarHBondContact O-N 2.93Å; I71-R73 PolarHBondContact O-N 2.73Å; R73-C184 HydrophobicContact CB-CB 4.15Å; R73-C184 VanDerWaalsContact CZ-SG 3.57Å; R73-C184 PolarHBondContact NE-SG 3.26Å; R73-C184 PolarHBondContact NH2-SG 3.28Å; R73-F218 HydrophobicContact CB-CE1 4.46Å; R73-F218 HydrophobicContact CG-CE1 3.95Å; R73-F218 HydrophobicContact CG-CZ 4.37Å
74	Q	98.8	Very high	97.1	Very high	163 Å²	163	46.5 Å²	46.5	76%	0.762	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.9	175.4	-63.2	171.9	50.7	0	0	112.7	S70 I71 L72	S70-Q74 PolarHBondContact O-NE2 2.91Å; I71-Q74 WeakPolarHBondContact O-CB 3.21Å; I71-Q74 PolarHBondContact O-N 2.93Å; L72-Q74 PolarHBondContact O-N 2.79Å
75	E	98.9	Very high	96.6	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.075	25%	0.247	C	C	.	.	S	Bend	trans	-86.7	153.5	179.5	-55.2	-165.9	137.7	0	0	111.3	L72 L79 K137 K142 P186 R217	L72-E75 WeakPolarHBondContact O-CB 3.36Å; L72-E75 PolarHBondContact O-N 3.07Å; E75-L79 HydrophobicContact CB-CD2 3.78Å; E75-K137 IonicContact OE1-NZ 2.79Å; E75-K137 PolarHBondContact OE1-NZ 2.76Å; E75-K137 WeakPolarHBondContact OE2-CE 3.33Å; E75-K137 IonicContact OE2-NZ 3.35Å; E75-K137 PolarHBondContact OE2-NZ 2.96Å; E75-K142 IonicContact OE1-NZ 2.68Å; E75-P186 HydrophobicContact CB-CG 4.05Å; E75-R217 VanDerWaalsContact O-CZ 3.29Å; E75-R217 PolarHBondContact O-NH1 2.84Å; E75-R217 PolarHBondContact O-NH2 2.9Å
76	K	98.8	Very high	96.2	Very high	117 Å²	117	47.1 Å²	47.1	51%	0.509	25%	0.249	S	C	.	.			trans	-75.2	161.1	-178.5	-61.7	-177.1	-61.3	-179.1	0	111	L78 D80 P186	K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 VanDerWaalsContact CB-O 3.3Å; K76-L78 WeakPolarHBondContact CB-O 3.4Å; K76-L78 WeakPolarHBondContact CE-O 3.48Å; K76-L78 PolarHBondContact O-N 3.4Å; K76-D80 IonicContact NZ-OD2 3.48Å; K76-D80 PolarHBondContact NZ-OD2 2.95Å; K76-P186 WeakPolarHBondContact O-CB 3.44Å
77	N	98.9	Very high	96	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.08	23%	0.228	C	C	.	.	S	Bend	trans	-60	-43	173.7	-60.3	-3.6	0	0	0	112	L187 A188 I212 L215 R217	N77-L187 PolarHBondContact O-N 2.79Å; N77-A188 PolarHBondContact O-N 2.93Å; N77-I212 HydrophobicContact CB-CG2 4.4Å; N77-I212 WeakPolarHBondContact CB-O 3.2Å; N77-I212 PolarHBondContact ND2-O 3.43Å; N77-L215 PolarHBondContact ND2-O 2.83Å; N77-R217 WeakPolarHBondContact OD1-CD 3.38Å; N77-R217 PolarHBondContact OD1-NH1 2.87Å
78	L	98.9	Very high	95.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.7	171.5	-177.7	66.7	0	0	0	107.5	K76 A188 A189 L190 L196 L209 I212 R213	K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 VanDerWaalsContact CB-O 3.3Å; K76-L78 WeakPolarHBondContact CB-O 3.4Å; K76-L78 WeakPolarHBondContact CE-O 3.48Å; K76-L78 PolarHBondContact O-N 3.4Å; L78-A188 WeakPolarHBondContact CA-O 3.48Å; L78-A188 HydrophobicContact CD1-CB 3.5Å; L78-A189 VanDerWaalsContact CD1-C 3.5Å; L78-L190 HydrophobicContact CD1-CB 4.16Å; L78-L190 HydrophobicContact CD2-CB 4.39Å; L78-L190 HydrophobicContact CG-CB 4.26Å; L78-L196 HydrophobicContact CD1-CD1 4.03Å; L78-L209 HydrophobicContact CD2-CB 3.92Å; L78-L209 HydrophobicContact CD2-CD2 4.01Å; L78-L209 HydrophobicContact CD2-CG 4.4Å; L78-I212 HydrophobicContact CB-CG2 4.17Å; L78-R213 HydrophobicContact CB-CG 4.14Å; L78-R213 HydrophobicContact CD2-CG 4.35Å
79	L	98.8	Very high	95.8	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	159.2	172.3	-56.7	177.9	0	0	0	110.6	E75 I81 F145 L147 P186 A188 A189 L190	E75-L79 HydrophobicContact CB-CD2 3.78Å; L79-I81 HydrophobicContact CB-CD1 4.08Å; L79-I81 HydrophobicContact CB-CG1 4.01Å; L79-I81 HydrophobicContact CD1-CD1 3.99Å; L79-F145 HydrophobicContact CD1-CB 3.95Å; L79-F145 HydrophobicContact CD1-CD1 3.89Å; L79-F145 HydrophobicContact CD1-CG 4.23Å; L79-L147 HydrophobicContact CD1-CD2 3.88Å; L79-L147 HydrophobicContact CG-CD2 4.47Å; L79-P186 HydrophobicContact CD1-CB 4.13Å; L79-P186 HydrophobicContact CD1-CG 4.13Å; L79-P186 HydrophobicContact CD2-CB 4.08Å; L79-P186 HydrophobicContact CD2-CG 3.78Å; L79-P186 HydrophobicContact CG-CB 3.91Å; L79-P186 HydrophobicContact CG-CG 4.08Å; L79-A188 PolarHBondContact N-O 2.82Å; L79-A189 HydrophobicContact CB-CB 3.86Å; L79-A189 HydrophobicContact CD1-CB 4.47Å; L79-L190 PolarHBondContact O-N 2.82Å
80	D	98.6	Very high	95.7	Very high	63 Å²	63	40.8 Å²	40.8	34%	0.337	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.7	163.3	-66.3	-84.8	0	0	0	107.5	K76 Q193	K76-D80 IonicContact NZ-OD2 3.48Å; K76-D80 PolarHBondContact NZ-OD2 2.95Å; D80-Q193 PolarHBondContact OD1-NE2 2.95Å
81	I	96.6	Very high	95.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	101.7	-170.4	-59.4	-178.2	0	0	0	110	L79 V85 L114 F145 A189 L190 M191 N192	L79-I81 HydrophobicContact CB-CD1 4.08Å; L79-I81 HydrophobicContact CB-CG1 4.01Å; L79-I81 HydrophobicContact CD1-CD1 3.99Å; I81-V85 HydrophobicContact CG2-CB 4.22Å; I81-V85 HydrophobicContact CG2-CG1 4.22Å; I81-V85 HydrophobicContact CG2-CG2 4.05Å; I81-L114 HydrophobicContact CD1-CB 4.44Å; I81-L114 HydrophobicContact CD1-CD1 3.76Å; I81-L114 HydrophobicContact CD1-CD2 4.13Å; I81-L114 HydrophobicContact CD1-CG 4.33Å; I81-F145 HydrophobicContact CD1-CB 3.8Å; I81-F145 HydrophobicContact CD1-CD1 4.16Å; I81-F145 HydrophobicContact CD1-CD2 3.61Å; I81-F145 HydrophobicContact CD1-CE2 4.2Å; I81-F145 HydrophobicContact CD1-CG 3.58Å; I81-F145 HydrophobicContact CG1-CD2 4.08Å; I81-F145 HydrophobicContact CG1-CE2 4.15Å; I81-F145 HydrophobicContact CG1-CG 4.25Å; I81-F145 HydrophobicContact CG1-CZ 4.39Å; I81-F145 HydrophobicContact CG2-CD2 4.22Å; I81-F145 HydrophobicContact CG2-CE2 4.12Å; I81-A189 HydrophobicContact CD1-CB 3.6Å; I81-A189 HydrophobicContact CG1-CB 4.19Å; I81-L190 PolarHBondContact N-O 2.93Å; I81-M191 HydrophobicContact CG2-CG 4.47Å; I81-M191 CarbonylContact O-C 3.56Å; I81-M191 WeakPolarHBondContact O-CA 3.45Å; I81-N192 PolarHBondContact O-N 3.04Å
82	D	89.3	Confident	95.7	Very high	102 Å²	102	37 Å²	37	55%	0.545	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-65.9	149.4	174.1	-47	-59.8	0	0	0	112.5	R112	D82-R112 PolarHBondContact O-NE 3.26Å; D82-R112 PolarHBondContact O-NH2 3.44Å
83	A	81.1	Confident	95.6	Very high	49 Å²	49	37 Å²	37	41%	0.405	19%	0.19	S	C	.	.	S	Bend	trans	-76.7	159.8	171.5	0	0	0	0	0	112.2	N192	A83-N192 HydrophobicContact CB-CB 4.07Å; A83-N192 WeakPolarHBondContact CB-OD1 3.44Å; A83-N192 PolarHBondContact N-OD1 3.46Å
84	P	91.5	Very high	95.6	Very high	98 Å²	98	32.6 Å²	32.6	64%	0.636	18%	0.175	S	C	*	.	S	Bend	cis	-70	151.8	-6.3	31.3	-36	0	0	0	111.9	R112	P84-R112 WeakPolarHBondContact O-CB 3.32Å; P84-R112 VanDerWaalsContact O-CD 3.3Å; P84-R112 WeakPolarHBondContact O-CD 3.4Å; P84-R112 PolarHBondContact O-NE 3.06Å
85	V	88.6	Confident	95.6	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.042	14%	0.138	C	C	.	.			trans	-153.2	138.8	173.6	58.8	0	0	0	0	109.7	I81 V87 R112 L114 M191	I81-V85 HydrophobicContact CG2-CB 4.22Å; I81-V85 HydrophobicContact CG2-CG1 4.22Å; I81-V85 HydrophobicContact CG2-CG2 4.05Å; V85-V87 HydrophobicContact CG1-CG2 4.42Å; V85-R112 WeakPolarHBondContact CA-O 3.35Å; V85-R112 HydrophobicContact CB-CB 4.2Å; V85-R112 HydrophobicContact CG2-CB 4.22Å; V85-L114 HydrophobicContact CG2-CB 3.89Å; V85-M191 HydrophobicContact CG1-CG 3.49Å; V85-M191 VanDerWaalsContact CG1-CG 3.49Å; V85-M191 HydrophobicContact CG1-SD 3.82Å
86	T	91.3	Very high	95.5	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.037	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.3	172.8	-60.2	0	0	0	0	109.3	T111 R112 Y113 L114 L323	T86-T111 VanDerWaalsContact OG1-CG2 3.26Å; T86-T111 WeakPolarHBondContact OG1-CG2 3.36Å; T86-R112 PolarHBondContact N-O 3.1Å; T86-Y113 HydrophobicContact CG2-CD1 4.09Å; T86-Y113 HydrophobicContact CG2-CE1 3.59Å; T86-Y113 WeakPolarHBondContact O-CA 3.24Å; T86-L114 PolarHBondContact O-N 2.92Å; T86-L323 HydrophobicContact CG2-CB 3.96Å; T86-L323 HydrophobicContact CG2-CD2 3.7Å; T86-L323 HydrophobicContact CG2-CG 4.31Å
87	V	93.7	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.5	178.9	-171.6	0	0	0	0	110.2	V85 L114 L116 L278 I305	V85-V87 HydrophobicContact CG1-CG2 4.42Å; V87-L114 CarbonylContact C-O 3.55Å; V87-L114 WeakPolarHBondContact CA-O 3.35Å; V87-L114 HydrophobicContact CG1-CD2 4.49Å; V87-L114 HydrophobicContact CG2-CD2 4.42Å; V87-L116 HydrophobicContact CG1-CD1 3.88Å; V87-L116 HydrophobicContact CG1-CD2 4.05Å; V87-L116 HydrophobicContact CG1-CG 3.97Å; V87-L278 HydrophobicContact CG2-CD1 4.17Å; V87-I305 HydrophobicContact CB-CD1 4.04Å; V87-I305 HydrophobicContact CG1-CD1 3.68Å
88	C	96.4	Very high	95.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.3	-175.4	-54	0	0	0	0	110.4	L101 L114 F115 L116	C88-L101 HydrophobicContact CB-CD1 4.15Å; C88-L114 PolarHBondContact N-O 3.04Å; C88-F115 HydrophobicContact CB-CD1 3.51Å; C88-F115 HydrophobicContact CB-CE1 3.7Å; C88-F115 HydrophobicContact CB-CG 4.07Å; C88-F115 HydrophobicContact CB-CZ 4.41Å; C88-F115 WeakPolarHBondContact O-CA 3.44Å; C88-L116 WeakPolarHBondContact O-CG 3.47Å; C88-L116 PolarHBondContact O-N 3.38Å
89	G	96.4	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.			trans	-90.2	-155.4	174.3	0	0	0	0	0	112.9	I305 S307	G89-I305 WeakPolarHBondContact CA-O 3.34Å; G89-S307 PolarHBondContact N-OG 2.85Å
90	D	98	Very high	94.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.011	16%	0.157	C	C	.	.			trans	-50.6	141.3	-178	-44.4	-1.5	0	0	0	112.5	D118 H199 A280 H281 F306 S307 A308	D90-D118 HydrophobicContact CB-CB 4.09Å; D90-H199 IonicContact OD1-CE1 2.71Å; D90-H199 PolarHBondContact OD1-CE1 2.84Å; D90-H199 IonicContact OD1-ND1 2.76Å; D90-A280 WeakPolarHBondContact OD1-CB 3.35Å; D90-H281 PolarHBondContact OD1-N 2.98Å; D90-H281 WeakPolarHBondContact OD2-CA 3.5Å; D90-H281 PolarHBondContact OD2-N 2.99Å; D90-F306 HydrophobicContact CB-CD2 3.87Å; D90-F306 HydrophobicContact CB-CE2 3.72Å; D90-F306 WeakPolarHBondContact OD2-CD2 3.3Å; D90-F306 WeakPolarHBondContact OD2-CE2 3.49Å; D90-S307 CarbonylContact O-C 3.25Å; D90-S307 VanDerWaalsContact O-CA 3.32Å; D90-S307 WeakPolarHBondContact O-CA 3.39Å; D90-S307 WeakPolarHBondContact O-CB 3.43Å; D90-S307 PolarHBondContact O-N 2.83Å; D90-A308 PolarHBondContact O-N 2.94Å
91	I	98.3	Very high	94.4	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.015	14%	0.143	C	C	.	.			trans	-120.6	-28.5	-177.6	-54.6	-63	0	0	0	112.3	G93 Q94 L98 L101 F115 D118	I91-G93 VanDerWaalsContact C-N 3.33Å; I91-G93 PolarHBondContact O-N 2.93Å; I91-G93 VanDerWaalsContact O-N 3.11Å; I91-Q94 WeakPolarHBondContact O-CB 3.48Å; I91-Q94 PolarHBondContact O-N 2.99Å; I91-L98 HydrophobicContact CD1-CD1 4.22Å; I91-L98 HydrophobicContact CG2-CB 4.19Å; I91-L98 HydrophobicContact CG2-CD1 4.39Å; I91-L98 HydrophobicContact CG2-CD2 4.48Å; I91-L101 HydrophobicContact CD1-CD1 3.75Å; I91-F115 HydrophobicContact CD1-CD1 4.19Å; I91-F115 HydrophobicContact CD1-CE1 4.1Å; I91-F115 HydrophobicContact CG1-CD1 4.16Å; I91-F115 HydrophobicContact CG1-CE1 4.39Å; I91-D118 PolarHBondContact N-O 2.85Å
92	H	98.3	Very high	94.1	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.028	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.1	50.3	171.6	-79.2	-45.6	0	0	0	115.4	Q94 D118 V120 D121 R122 G123 H151 Y311	H92-Q94 PolarHBondContact O-N 3.14Å; H92-Q94 VanDerWaalsContact O-N 3.07Å; H92-D118 IonicContact CE1-OD2 2.81Å; H92-D118 PolarHBondContact N-O 3.12Å; H92-D118 IonicContact NE2-OD2 3.36Å; H92-V120 PolarHBondContact ND1-O 3.18Å; H92-D121 CarbonylContact C-O 3.51Å; H92-D121 WeakPolarHBondContact CA-O 3.37Å; H92-R122 HydrophobicContact CB-CB 4.18Å; H92-R122 HydrophobicContact CB-CG 4.49Å; H92-G123 WeakPolarHBondContact O-CA 3.33Å; H92-G123 PolarHBondContact O-N 2.9Å; H92-G123 VanDerWaalsContact O-N 3.08Å; H92-H151 AromaticContact CE1-CD2 3.55Å; H92-H151 AromaticContact CE1-NE2 3.78Å; H92-Y311 HydrophobicContact CB-CE2 3.91Å; H92-Y311 AromaticContact CD2-CE2 3.35Å; H92-Y311 WeakPolarHBondContact CD2-CE2 3.33Å; H92-Y311 AromaticContact CD2-CZ 3.59Å; H92-Y311 PolarHBondContact CD2-OH 3.03Å; H92-Y311 AromaticContact CG-CE2 3.85Å; H92-Y311 PolarHBondContact NE2-OH 3.15Å
93	G	98.4	Very high	94.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	15.4	178	0	0	0	0	0	115.9	I91 F95 Y119 F125	I91-G93 VanDerWaalsContact C-N 3.33Å; I91-G93 PolarHBondContact O-N 2.93Å; I91-G93 VanDerWaalsContact O-N 3.11Å; G93-F95 VanDerWaalsContact C-N 3.26Å; G93-F95 PolarHBondContact O-N 3.34Å; G93-Y119 PolarHBondContact N-O 3.07Å; G93-F125 CarbonylContact O-C 3.27Å; G93-F125 VanDerWaalsContact O-CA 3.31Å; G93-F125 WeakPolarHBondContact O-CA 3.44Å; G93-F125 VanDerWaalsContact O-CB 3.29Å; G93-F125 WeakPolarHBondContact O-CB 3.19Å; G93-F125 PolarHBondContact O-N 3.49Å; G93-F125 VanDerWaalsContact O-N 3.09Å
94	Q	98	Very high	94.3	Very high	28 Å²	28	28.6 Å²	28.6	13%	0.131	15%	0.147	C	C	.	.			trans	-82.7	65.4	175.2	-71.2	-174.4	-136	0	0	111.5	I91 H92 F96 D97 L98 P309	I91-Q94 WeakPolarHBondContact O-CB 3.48Å; I91-Q94 PolarHBondContact O-N 2.99Å; H92-Q94 PolarHBondContact O-N 3.14Å; H92-Q94 VanDerWaalsContact O-N 3.07Å; Q94-F96 VanDerWaalsContact C-N 3.26Å; Q94-F96 PolarHBondContact O-N 3.23Å; Q94-D97 HydrophobicContact CB-CB 4.16Å; Q94-D97 PolarHBondContact NE2-OD2 3.22Å; Q94-D97 PolarHBondContact O-N 3.1Å; Q94-D97 VanDerWaalsContact O-N 3.07Å; Q94-L98 PolarHBondContact O-N 3Å; Q94-P309 PolarHBondContact NE2-O 3.41Å
95	F	98.6	Very high	93.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.6	-34.4	-174.2	179	-104	0	0	0	114.4	L50 M51 G93 L98 M99 F125 E128 C129 Y132	L50-F95 HydrophobicContact CB-CE1 3.63Å; L50-F95 HydrophobicContact CB-CE2 4.36Å; L50-F95 HydrophobicContact CB-CZ 3.53Å; L50-F95 HydrophobicContact CD1-CE2 4.09Å; L50-F95 HydrophobicContact CD1-CZ 3.99Å; L50-F95 HydrophobicContact CG-CZ 4.4Å; M51-F95 HydrophobicContact CG-CE1 3.98Å; G93-F95 VanDerWaalsContact C-N 3.26Å; G93-F95 PolarHBondContact O-N 3.34Å; F95-L98 HydrophobicContact CD2-CD2 4.44Å; F95-L98 WeakPolarHBondContact O-CB 3.5Å; F95-L98 PolarHBondContact O-N 2.93Å; F95-M99 HydrophobicContact CD2-CE 3.97Å; F95-M99 HydrophobicContact CE1-CE 4.34Å; F95-M99 HydrophobicContact CE1-CG 4.25Å; F95-M99 HydrophobicContact CE1-SD 4.34Å; F95-M99 HydrophobicContact CE2-CE 3.4Å; F95-M99 HydrophobicContact CE2-SD 4.27Å; F95-M99 HydrophobicContact CZ-CE 3.61Å; F95-M99 HydrophobicContact CZ-CG 4.32Å; F95-M99 HydrophobicContact CZ-SD 3.84Å; F95-M99 WeakPolarHBondContact O-CG 3.4Å; F95-M99 PolarHBondContact O-N 2.91Å; F95-M99 VanDerWaalsContact O-N 3.14Å; F95-F125 HydrophobicContact CB-CB 3.49Å; F95-F125 VanDerWaalsContact CB-CB 3.49Å; F95-F125 HydrophobicContact CB-CG 4.39Å; F95-E128 HydrophobicContact CB-CB 4.1Å; F95-E128 HydrophobicContact CD1-CB 4.11Å; F95-E128 VanDerWaalsContact CD2-C 3.49Å; F95-E128 HydrophobicContact CD2-CB 3.67Å; F95-E128 HydrophobicContact CE2-CB 4.12Å; F95-E128 HydrophobicContact CG-CB 3.66Å; F95-C129 VanDerWaalsContact CA-SG 3.51Å; F95-Y132 HydrophobicContact CE2-CD1 4.37Å; F95-Y132 HydrophobicContact CE2-CG 4.02Å
96	F	97.2	Very high	93.8	Very high	88 Å²	88	25.5 Å²	25.5	39%	0.386	14%	0.135	S	C	.	.	H	α-helix	trans	-70.1	-37.2	178.8	-66.1	-88.4	0	0	0	111.8	Q94 M99 K100 F125	Q94-F96 VanDerWaalsContact C-N 3.26Å; Q94-F96 PolarHBondContact O-N 3.23Å; F96-M99 WeakPolarHBondContact O-CB 3.43Å; F96-M99 PolarHBondContact O-N 2.81Å; F96-K100 PolarHBondContact O-N 3.04Å; F96-F125 HydrophobicContact CD2-CD2 4.12Å; F96-F125 HydrophobicContact CD2-CE2 4.19Å; F96-F125 HydrophobicContact CE2-CD1 4.1Å; F96-F125 AromaticContact CE2-CD2 3.92Å; F96-F125 HydrophobicContact CE2-CD2 3.92Å; F96-F125 AromaticContact CE2-CE1 3.97Å; F96-F125 HydrophobicContact CE2-CE1 3.97Å; F96-F125 AromaticContact CE2-CE2 3.78Å; F96-F125 HydrophobicContact CE2-CE2 3.78Å; F96-F125 HydrophobicContact CE2-CG 4.08Å; F96-F125 AromaticContact CE2-CZ 3.81Å; F96-F125 HydrophobicContact CE2-CZ 3.81Å
97	D	95.3	Very high	94	Very high	55 Å²	55	28 Å²	28	29%	0.294	15%	0.152	S	C	.	.	H	α-helix	trans	-74.2	-31.9	173.9	-57.9	-62.8	0	0	0	111.9	Q94 M99 K100 L101 P309	Q94-D97 HydrophobicContact CB-CB 4.16Å; Q94-D97 PolarHBondContact NE2-OD2 3.22Å; Q94-D97 PolarHBondContact O-N 3.1Å; Q94-D97 VanDerWaalsContact O-N 3.07Å; D97-M99 PolarHBondContact O-N 3.39Å; D97-K100 CarbonylContact O-C 3.58Å; D97-K100 WeakPolarHBondContact O-CA 3.46Å; D97-K100 WeakPolarHBondContact O-CB 3.26Å; D97-K100 PolarHBondContact O-N 2.88Å; D97-L101 PolarHBondContact O-N 3.34Å; D97-P309 HydrophobicContact CB-CG 3.67Å; D97-P309 VanDerWaalsContact CG-CG 3.42Å; D97-P309 WeakPolarHBondContact OD1-CG 3.31Å
98	L	96.4	Very high	94.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-34.6	168.1	-178.4	63.4	0	0	0	111.7	I91 Q94 F95 K100 L101 F102 F115 C129 L133	I91-L98 HydrophobicContact CD1-CD1 4.22Å; I91-L98 HydrophobicContact CG2-CB 4.19Å; I91-L98 HydrophobicContact CG2-CD1 4.39Å; I91-L98 HydrophobicContact CG2-CD2 4.48Å; Q94-L98 PolarHBondContact O-N 3Å; F95-L98 HydrophobicContact CD2-CD2 4.44Å; F95-L98 WeakPolarHBondContact O-CB 3.5Å; F95-L98 PolarHBondContact O-N 2.93Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-L101 HydrophobicContact CD1-CD1 4.41Å; L98-L101 HydrophobicContact CD1-CD2 4.34Å; L98-L101 PolarHBondContact O-N 2.99Å; L98-F102 HydrophobicContact CD1-CD2 4.34Å; L98-F102 HydrophobicContact CD1-CE2 3.69Å; L98-F102 HydrophobicContact CD1-CZ 4.13Å; L98-F102 HydrophobicContact CD2-CE2 4.41Å; L98-F102 HydrophobicContact CG-CD2 4.3Å; L98-F102 HydrophobicContact CG-CE2 3.81Å; L98-F102 WeakPolarHBondContact O-CD2 3.44Å; L98-F102 PolarHBondContact O-N 3.09Å; L98-F115 HydrophobicContact CD1-CE1 3.81Å; L98-F115 HydrophobicContact CD1-CZ 4.12Å; L98-C129 HydrophobicContact CD2-CB 4.29Å; L98-L133 HydrophobicContact CD1-CD2 4.35Å; L98-L133 HydrophobicContact CD2-CD1 4.19Å; L98-L133 HydrophobicContact CD2-CD2 4.25Å; L98-L133 HydrophobicContact CD2-CG 4.01Å
99	M	96.2	Very high	94.2	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-36.3	172.1	-61.6	-53.5	94.5	0	0	112	K47 M51 F95 F96 D97 F102 E103 Y132	K47-M99 HydrophobicContact CD-SD 3.54Å; K47-M99 VanDerWaalsContact CD-SD 3.54Å; K47-M99 VanDerWaalsContact CE-SD 3.5Å; K47-M99 HydrophobicContact CG-SD 3.67Å; M51-M99 HydrophobicContact CG-CG 4.03Å; M51-M99 HydrophobicContact SD-CG 4.12Å; F95-M99 HydrophobicContact CD2-CE 3.97Å; F95-M99 HydrophobicContact CE1-CE 4.34Å; F95-M99 HydrophobicContact CE1-CG 4.25Å; F95-M99 HydrophobicContact CE1-SD 4.34Å; F95-M99 HydrophobicContact CE2-CE 3.4Å; F95-M99 HydrophobicContact CE2-SD 4.27Å; F95-M99 HydrophobicContact CZ-CE 3.61Å; F95-M99 HydrophobicContact CZ-CG 4.32Å; F95-M99 HydrophobicContact CZ-SD 3.84Å; F95-M99 WeakPolarHBondContact O-CG 3.4Å; F95-M99 PolarHBondContact O-N 2.91Å; F95-M99 VanDerWaalsContact O-N 3.14Å; F96-M99 WeakPolarHBondContact O-CB 3.43Å; F96-M99 PolarHBondContact O-N 2.81Å; D97-M99 PolarHBondContact O-N 3.39Å; M99-F102 HydrophobicContact CE-CD2 4.39Å; M99-E103 WeakPolarHBondContact O-CG 3.48Å; M99-E103 PolarHBondContact O-N 2.71Å; M99-Y132 HydrophobicContact CE-CD1 3.64Å; M99-Y132 HydrophobicContact CE-CE1 3.66Å; M99-Y132 HydrophobicContact CE-CG 4.34Å; M99-Y132 HydrophobicContact SD-CE1 4.23Å
100	K	90.8	Very high	94.1	Very high	88 Å²	88	37.9 Å²	37.9	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-69.2	-37.8	176	-168	66.4	-120.6	168.2	0	112	F96 D97 L98 F102 E103 V104	F96-K100 PolarHBondContact O-N 3.04Å; D97-K100 CarbonylContact O-C 3.58Å; D97-K100 WeakPolarHBondContact O-CA 3.46Å; D97-K100 WeakPolarHBondContact O-CB 3.26Å; D97-K100 PolarHBondContact O-N 2.88Å; L98-K100 VanDerWaalsContact C-N 3.34Å; K100-F102 VanDerWaalsContact C-N 3.35Å; K100-F102 PolarHBondContact O-N 3.32Å; K100-E103 IonicContact NZ-OE2 2.72Å; K100-E103 PolarHBondContact NZ-OE2 2.81Å; K100-E103 WeakPolarHBondContact O-CA 3.44Å; K100-E103 WeakPolarHBondContact O-CB 3.45Å; K100-E103 PolarHBondContact O-N 2.88Å; K100-V104 WeakPolarHBondContact O-CG2 3.43Å; K100-V104 PolarHBondContact O-N 3.18Å
101	L	91.4	Very high	93.9	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-43.1	174.8	177.9	158.5	0	0	0	111.9	C88 I91 D97 L98 E103 V104 G105 Y113 F115 L323	C88-L101 HydrophobicContact CB-CD1 4.15Å; I91-L101 HydrophobicContact CD1-CD1 3.75Å; D97-L101 PolarHBondContact O-N 3.34Å; L98-L101 HydrophobicContact CD1-CD1 4.41Å; L98-L101 HydrophobicContact CD1-CD2 4.34Å; L98-L101 PolarHBondContact O-N 2.99Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.31Å; L101-V104 PolarHBondContact O-N 2.89Å; L101-G105 PolarHBondContact O-N 3.12Å; L101-Y113 HydrophobicContact CD2-CE1 3.68Å; L101-Y113 PolarHBondContact O-OH 3.44Å; L101-F115 HydrophobicContact CD1-CE1 4.11Å; L101-F115 HydrophobicContact CD2-CE1 4Å; L101-F115 HydrophobicContact CD2-CZ 3.87Å; L101-L323 HydrophobicContact CG-CD1 4.3Å; L101-L323 HydrophobicContact CG-CD2 4.24Å
102	F	91.8	Very high	93.8	Very high	14 Å²	14	41.5 Å²	41.5	6%	0.061	23%	0.231	C	C	.	.	H	α-helix	trans	-71.6	-21.7	173.4	-68.3	-56.7	0	0	0	113.8	L98 M99 K100 G106 P108 Y113 F115 Y132 L133 L136 L144	L98-F102 HydrophobicContact CD1-CD2 4.34Å; L98-F102 HydrophobicContact CD1-CE2 3.69Å; L98-F102 HydrophobicContact CD1-CZ 4.13Å; L98-F102 HydrophobicContact CD2-CE2 4.41Å; L98-F102 HydrophobicContact CG-CD2 4.3Å; L98-F102 HydrophobicContact CG-CE2 3.81Å; L98-F102 WeakPolarHBondContact O-CD2 3.44Å; L98-F102 PolarHBondContact O-N 3.09Å; M99-F102 HydrophobicContact CE-CD2 4.39Å; K100-F102 VanDerWaalsContact C-N 3.35Å; K100-F102 PolarHBondContact O-N 3.32Å; F102-G106 CarbonylContact O-C 3.58Å; F102-G106 VanDerWaalsContact O-C 3.27Å; F102-G106 PolarHBondContact O-N 3.19Å; F102-P108 HydrophobicContact CD1-CG 3.48Å; F102-P108 VanDerWaalsContact CD1-CG 3.48Å; F102-P108 HydrophobicContact CE1-CG 3.46Å; F102-P108 VanDerWaalsContact CE1-CG 3.46Å; F102-P108 HydrophobicContact CG-CG 4.29Å; F102-P108 HydrophobicContact CZ-CG 4.23Å; F102-Y113 HydrophobicContact CD1-CD2 4.43Å; F102-Y113 HydrophobicContact CD1-CE1 4.13Å; F102-Y113 AromaticContact CD1-CE2 3.75Å; F102-Y113 HydrophobicContact CD1-CE2 3.75Å; F102-Y113 AromaticContact CD1-CZ 3.58Å; F102-Y113 HydrophobicContact CE1-CD1 4.26Å; F102-Y113 HydrophobicContact CE1-CD2 4.14Å; F102-Y113 HydrophobicContact CE1-CE1 4.04Å; F102-Y113 AromaticContact CE1-CE2 3.9Å; F102-Y113 HydrophobicContact CE1-CE2 3.9Å; F102-Y113 HydrophobicContact CE1-CG 4.3Å; F102-Y113 AromaticContact CE1-CZ 3.86Å; F102-F115 HydrophobicContact CE1-CE2 4.25Å; F102-F115 AromaticContact CE1-CZ 3.85Å; F102-F115 HydrophobicContact CE1-CZ 3.85Å; F102-F115 HydrophobicContact CZ-CE2 4.16Å; F102-F115 AromaticContact CZ-CZ 3.65Å; F102-F115 HydrophobicContact CZ-CZ 3.65Å; F102-Y132 HydrophobicContact CD2-CE1 4.04Å; F102-Y132 HydrophobicContact CE2-CD1 4.12Å; F102-Y132 AromaticContact CE2-CE1 3.79Å; F102-Y132 HydrophobicContact CE2-CE1 3.79Å; F102-L133 HydrophobicContact CE2-CD2 4.39Å; F102-L133 HydrophobicContact CZ-CD2 3.94Å; F102-L136 HydrophobicContact CE1-CD1 4.22Å; F102-L136 HydrophobicContact CE2-CD1 3.75Å; F102-L136 HydrophobicContact CZ-CD1 3.5Å; F102-L144 HydrophobicContact CE1-CD1 4.47Å
103	E	88.3	Confident	93.7	Very high	115 Å²	115	41.2 Å²	41.2	54%	0.537	23%	0.23	S	C	.	.	H	α-helix	trans	-78.2	-28.3	171.9	-72.9	171.3	-164.2	0	0	112.8	K47 M99 K100 L101	K47-E103 IonicContact NZ-OE1 3.92Å; M99-E103 WeakPolarHBondContact O-CG 3.48Å; M99-E103 PolarHBondContact O-N 2.71Å; K100-E103 IonicContact NZ-OE2 2.72Å; K100-E103 PolarHBondContact NZ-OE2 2.81Å; K100-E103 WeakPolarHBondContact O-CA 3.44Å; K100-E103 WeakPolarHBondContact O-CB 3.45Å; K100-E103 PolarHBondContact O-N 2.88Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.31Å
104	V	84.6	Confident	93.7	Very high	73 Å²	73	41.2 Å²	41.2	44%	0.442	23%	0.23	S	C	.	.	H	α-helix	trans	-89.7	-42.6	179.5	-179.4	0	0	0	0	111.9	K100 L101 L323	K100-V104 WeakPolarHBondContact O-CG2 3.43Å; K100-V104 PolarHBondContact O-N 3.18Å; L101-V104 PolarHBondContact O-N 2.89Å; V104-L323 HydrophobicContact CB-CD1 3.83Å; V104-L323 HydrophobicContact CG1-CD1 3.87Å
105	G	81.8	Confident	93.8	Very high	16 Å²	16	39.9 Å²	39.9	17%	0.165	22%	0.224	C	C	.	.	H	α-helix	trans	-82.4	-13.6	178.8	0	0	0	0	0	115	L101 T111 Y113	L101-G105 PolarHBondContact O-N 3.12Å; G105-T111 WeakPolarHBondContact O-CG2 3.1Å; G105-T111 PolarHBondContact O-OG1 2.87Å; G105-T111 VanDerWaalsContact O-OG1 3.07Å; G105-Y113 VanDerWaalsContact CA-OH 3.32Å; G105-Y113 WeakPolarHBondContact CA-OH 3.38Å
106	G	88.7	Confident	93.8	Very high	24 Å²	24	39.9 Å²	39.9	25%	0.247	22%	0.224	C	C	.	.			trans	98.5	171.2	-178.4	0	0	0	0	0	113.8	F102 Y113	F102-G106 CarbonylContact O-C 3.58Å; F102-G106 VanDerWaalsContact O-C 3.27Å; F102-G106 PolarHBondContact O-N 3.19Å; G106-Y113 WeakPolarHBondContact O-CE2 3.34Å; G106-Y113 PolarHBondContact O-OH 3.08Å; G106-Y113 VanDerWaalsContact O-OH 3.08Å
107	S	94.7	Very high	93.8	Very high	59 Å²	59	35.7 Å²	35.7	41%	0.413	21%	0.205	S	C	.	.			trans	-73.1	135.2	-173.2	-179.4	0	0	0	0	111.3	A109 N110 T111	S107-A109 PolarHBondContact O-N 2.75Å; S107-A109 WeakPolarHBondContact OG-CB 3.23Å; S107-A109 PolarHBondContact OG-N 3.45Å; S107-N110 WeakPolarHBondContact CB-OD1 3.48Å; S107-N110 PolarHBondContact O-N 3.2Å; S107-N110 PolarHBondContact O-OD1 3.33Å; S107-T111 WeakPolarHBondContact O-CB 3.5Å; S107-T111 PolarHBondContact O-N 3.23Å
108	P	96.7	Very high	94	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.058	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-13.7	169.4	-28.9	37.7	0	0	0	115	F102 N110 Y113 L136 Y140 L144	F102-P108 HydrophobicContact CD1-CG 3.48Å; F102-P108 VanDerWaalsContact CD1-CG 3.48Å; F102-P108 HydrophobicContact CE1-CG 3.46Å; F102-P108 VanDerWaalsContact CE1-CG 3.46Å; F102-P108 HydrophobicContact CG-CG 4.29Å; F102-P108 HydrophobicContact CZ-CG 4.23Å; P108-N110 VanDerWaalsContact C-N 3.29Å; P108-Y113 HydrophobicContact CG-CD2 4.21Å; P108-Y113 HydrophobicContact CG-CE2 4.13Å; P108-L136 HydrophobicContact CB-CD2 3.99Å; P108-L136 HydrophobicContact CG-CD1 4.14Å; P108-L136 HydrophobicContact CG-CD2 4.07Å; P108-Y140 HydrophobicContact CB-CD2 3.73Å; P108-Y140 HydrophobicContact CB-CE2 3.79Å; P108-L144 HydrophobicContact CB-CD1 4.36Å; P108-L144 HydrophobicContact CG-CD1 4.49Å
109	A	97.6	Very high	94.1	Very high	62 Å²	62	33.1 Å²	33.1	51%	0.512	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.2	171.2	0	0	0	0	0	114.2	S107 Y140	S107-A109 PolarHBondContact O-N 2.75Å; S107-A109 WeakPolarHBondContact OG-CB 3.23Å; S107-A109 PolarHBondContact OG-N 3.45Å; A109-Y140 HydrophobicContact CB-CE1 4.35Å; A109-Y140 WeakPolarHBondContact CB-OH 3.48Å
110	N	95.5	Very high	94.2	Very high	136 Å²	136	32.9 Å²	32.9	73%	0.727	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.7	-14.5	-179.5	59.2	-1.3	0	0	0	115.3	S107 P108	S107-N110 WeakPolarHBondContact CB-OD1 3.48Å; S107-N110 PolarHBondContact O-N 3.2Å; S107-N110 PolarHBondContact O-OD1 3.33Å; P108-N110 VanDerWaalsContact C-N 3.29Å
111	T	92.9	Very high	94.6	Very high	30 Å²	30	28.7 Å²	28.7	18%	0.184	17%	0.172	C	C	.	.	S	Bend	trans	-96.4	135.7	170.8	-64.8	0	0	0	0	110.9	T86 G105 S107 Y113	T86-T111 VanDerWaalsContact OG1-CG2 3.26Å; T86-T111 WeakPolarHBondContact OG1-CG2 3.36Å; G105-T111 WeakPolarHBondContact O-CG2 3.1Å; G105-T111 PolarHBondContact O-OG1 2.87Å; G105-T111 VanDerWaalsContact O-OG1 3.07Å; S107-T111 WeakPolarHBondContact O-CB 3.5Å; S107-T111 PolarHBondContact O-N 3.23Å; T111-Y113 HydrophobicContact CG2-CD2 3.76Å; T111-Y113 HydrophobicContact CG2-CE2 3.48Å; T111-Y113 VanDerWaalsContact CG2-CE2 3.48Å
112	R	96.1	Very high	94.7	Very high	52 Å²	52	29.6 Å²	29.6	20%	0.196	18%	0.175	C	C	.	.			trans	-81.2	136.7	167	-74.7	166.3	60.7	79.4	-10.6	110	D82 P84 V85 T86 K142 T143	D82-R112 PolarHBondContact O-NE 3.26Å; D82-R112 PolarHBondContact O-NH2 3.44Å; P84-R112 WeakPolarHBondContact O-CB 3.32Å; P84-R112 VanDerWaalsContact O-CD 3.3Å; P84-R112 WeakPolarHBondContact O-CD 3.4Å; P84-R112 PolarHBondContact O-NE 3.06Å; V85-R112 WeakPolarHBondContact CA-O 3.35Å; V85-R112 HydrophobicContact CB-CB 4.2Å; V85-R112 HydrophobicContact CG2-CB 4.22Å; T86-R112 PolarHBondContact N-O 3.1Å; R112-K142 PolarHBondContact NH1-O 3.05Å; R112-K142 VanDerWaalsContact NH1-O 3.1Å; R112-T143 CarbonylContact C-O 3.48Å; R112-T143 VanDerWaalsContact CA-O 3.23Å; R112-T143 WeakPolarHBondContact CA-O 3.27Å; R112-T143 HydrophobicContact CG-CG2 3.92Å
113	Y	97.6	Very high	94.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.8	-175.1	-91.4	-82.2	0	0	0	112.5	T86 L101 F102 G105 G106 P108 T111 F115 T143 L144 F145	T86-Y113 HydrophobicContact CG2-CD1 4.09Å; T86-Y113 HydrophobicContact CG2-CE1 3.59Å; T86-Y113 WeakPolarHBondContact O-CA 3.24Å; L101-Y113 HydrophobicContact CD2-CE1 3.68Å; L101-Y113 PolarHBondContact O-OH 3.44Å; F102-Y113 HydrophobicContact CD1-CD2 4.43Å; F102-Y113 HydrophobicContact CD1-CE1 4.13Å; F102-Y113 AromaticContact CD1-CE2 3.75Å; F102-Y113 HydrophobicContact CD1-CE2 3.75Å; F102-Y113 AromaticContact CD1-CZ 3.58Å; F102-Y113 HydrophobicContact CE1-CD1 4.26Å; F102-Y113 HydrophobicContact CE1-CD2 4.14Å; F102-Y113 HydrophobicContact CE1-CE1 4.04Å; F102-Y113 AromaticContact CE1-CE2 3.9Å; F102-Y113 HydrophobicContact CE1-CE2 3.9Å; F102-Y113 HydrophobicContact CE1-CG 4.3Å; F102-Y113 AromaticContact CE1-CZ 3.86Å; G105-Y113 VanDerWaalsContact CA-OH 3.32Å; G105-Y113 WeakPolarHBondContact CA-OH 3.38Å; G106-Y113 WeakPolarHBondContact O-CE2 3.34Å; G106-Y113 PolarHBondContact O-OH 3.08Å; G106-Y113 VanDerWaalsContact O-OH 3.08Å; P108-Y113 HydrophobicContact CG-CD2 4.21Å; P108-Y113 HydrophobicContact CG-CE2 4.13Å; T111-Y113 HydrophobicContact CG2-CD2 3.76Å; T111-Y113 HydrophobicContact CG2-CE2 3.48Å; T111-Y113 VanDerWaalsContact CG2-CE2 3.48Å; Y113-F115 AromaticContact CD1-CE2 3.78Å; Y113-F115 HydrophobicContact CD1-CE2 3.78Å; Y113-F115 AromaticContact CD1-CZ 3.96Å; Y113-F115 HydrophobicContact CD1-CZ 3.96Å; Y113-F115 HydrophobicContact CE1-CZ 4.39Å; Y113-F115 HydrophobicContact CG-CE2 4.11Å; Y113-T143 PolarHBondContact N-O 2.68Å; Y113-L144 HydrophobicContact CG-CD1 4.47Å; Y113-F145 WeakPolarHBondContact O-CD2 3.38Å; Y113-F145 PolarHBondContact O-N 2.79Å
114	L	98.2	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115.5	168.7	172.8	61.5	0	0	0	109	I81 V85 T86 V87 C88 L116 F145 L147 A189 C197	I81-L114 HydrophobicContact CD1-CB 4.44Å; I81-L114 HydrophobicContact CD1-CD1 3.76Å; I81-L114 HydrophobicContact CD1-CD2 4.13Å; I81-L114 HydrophobicContact CD1-CG 4.33Å; V85-L114 HydrophobicContact CG2-CB 3.89Å; T86-L114 PolarHBondContact O-N 2.92Å; V87-L114 CarbonylContact C-O 3.55Å; V87-L114 WeakPolarHBondContact CA-O 3.35Å; V87-L114 HydrophobicContact CG1-CD2 4.49Å; V87-L114 HydrophobicContact CG2-CD2 4.42Å; C88-L114 PolarHBondContact N-O 3.04Å; L114-L116 HydrophobicContact CD2-CD2 4.21Å; L114-L116 HydrophobicContact CG-CD2 4.16Å; L114-F145 HydrophobicContact CD1-CB 3.92Å; L114-L147 HydrophobicContact CD1-CD1 4.24Å; L114-L147 HydrophobicContact CD1-CD2 4.21Å; L114-L147 HydrophobicContact CD1-CG 3.87Å; L114-A189 HydrophobicContact CD1-CB 4.2Å; L114-A189 HydrophobicContact CD2-CB 4Å; L114-C197 HydrophobicContact CD2-CB 3.74Å
115	F	98.5	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137	170.2	-64.6	-101.1	0	0	0	110.1	C88 I91 L98 L101 F102 Y113 Y119 L133 L144 F145 L146 L147	C88-F115 HydrophobicContact CB-CD1 3.51Å; C88-F115 HydrophobicContact CB-CE1 3.7Å; C88-F115 HydrophobicContact CB-CG 4.07Å; C88-F115 HydrophobicContact CB-CZ 4.41Å; C88-F115 WeakPolarHBondContact O-CA 3.44Å; I91-F115 HydrophobicContact CD1-CD1 4.19Å; I91-F115 HydrophobicContact CD1-CE1 4.1Å; I91-F115 HydrophobicContact CG1-CD1 4.16Å; I91-F115 HydrophobicContact CG1-CE1 4.39Å; L98-F115 HydrophobicContact CD1-CE1 3.81Å; L98-F115 HydrophobicContact CD1-CZ 4.12Å; L101-F115 HydrophobicContact CD1-CE1 4.11Å; L101-F115 HydrophobicContact CD2-CE1 4Å; L101-F115 HydrophobicContact CD2-CZ 3.87Å; F102-F115 HydrophobicContact CE1-CE2 4.25Å; F102-F115 AromaticContact CE1-CZ 3.85Å; F102-F115 HydrophobicContact CE1-CZ 3.85Å; F102-F115 HydrophobicContact CZ-CE2 4.16Å; F102-F115 AromaticContact CZ-CZ 3.65Å; F102-F115 HydrophobicContact CZ-CZ 3.65Å; Y113-F115 AromaticContact CD1-CE2 3.78Å; Y113-F115 HydrophobicContact CD1-CE2 3.78Å; Y113-F115 AromaticContact CD1-CZ 3.96Å; Y113-F115 HydrophobicContact CD1-CZ 3.96Å; Y113-F115 HydrophobicContact CE1-CZ 4.39Å; Y113-F115 HydrophobicContact CG-CE2 4.11Å; F115-Y119 HydrophobicContact CB-CE1 3.66Å; F115-Y119 HydrophobicContact CD1-CE1 4.45Å; F115-Y119 HydrophobicContact CG-CE1 4.23Å; F115-L133 HydrophobicContact CD2-CD2 4.43Å; F115-L133 HydrophobicContact CE1-CD2 4.35Å; F115-L133 HydrophobicContact CE2-CD2 3.96Å; F115-L133 HydrophobicContact CZ-CD2 3.93Å; F115-L144 HydrophobicContact CE2-CD1 4.13Å; F115-F145 PolarHBondContact N-O 2.92Å; F115-L146 HydrophobicContact CB-CD2 4Å; F115-L146 HydrophobicContact CD2-CD2 3.79Å; F115-L146 HydrophobicContact CG-CD2 4.09Å; F115-L147 PolarHBondContact O-N 2.95Å
116	L	98.7	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.			trans	-88.9	-25.2	-172.3	-60.7	179.9	0	0	0	114.2	V87 C88 L114 L147 C197 A280	V87-L116 HydrophobicContact CG1-CD1 3.88Å; V87-L116 HydrophobicContact CG1-CD2 4.05Å; V87-L116 HydrophobicContact CG1-CG 3.97Å; C88-L116 WeakPolarHBondContact O-CG 3.47Å; C88-L116 PolarHBondContact O-N 3.38Å; L114-L116 HydrophobicContact CD2-CD2 4.21Å; L114-L116 HydrophobicContact CG-CD2 4.16Å; L116-L147 HydrophobicContact CD2-CD1 3.83Å; L116-L147 WeakPolarHBondContact O-CB 3.43Å; L116-C197 HydrophobicContact CD2-CB 3.83Å; L116-A280 HydrophobicContact CB-CB 3.98Å; L116-A280 HydrophobicContact CD1-CB 4.07Å
117	G	98.7	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	157.7	-169	175.8	0	0	0	0	0	113.9
118	D	98.8	Very high	97.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	14%	0.137	C	C	.	.			trans	50.2	63.8	171.4	-70.4	0.2	0	0	0	113.2	D90 I91 H92 V120 G149 N150 H151 E152 H199	D90-D118 HydrophobicContact CB-CB 4.09Å; I91-D118 PolarHBondContact N-O 2.85Å; H92-D118 IonicContact CE1-OD2 2.81Å; H92-D118 PolarHBondContact N-O 3.12Å; H92-D118 IonicContact NE2-OD2 3.36Å; D118-V120 VanDerWaalsContact C-N 3.33Å; D118-G149 WeakPolarHBondContact OD1-CA 3.38Å; D118-N150 PolarHBondContact OD1-N 2.79Å; D118-N150 PolarHBondContact OD1-OD1 3.27Å; D118-N150 PolarHBondContact OD2-OD1 3.4Å; D118-H151 HydrophobicContact CB-CB 4.42Å; D118-H151 WeakPolarHBondContact OD1-CB 3.48Å; D118-H151 IonicContact OD1-CD2 3.53Å; D118-H151 PolarHBondContact OD1-N 2.72Å; D118-H151 IonicContact OD2-CD2 3.74Å; D118-H151 PolarHBondContact OD2-CD2 2.63Å; D118-E152 WeakPolarHBondContact CA-OE1 3.41Å; D118-E152 PolarHBondContact N-OE2 3.42Å; D118-H199 IonicContact OD1-CE1 2.66Å; D118-H199 IonicContact OD1-NE2 3.71Å; D118-H199 PolarHBondContact OD1-NE2 3.44Å; D118-H199 IonicContact OD2-CE1 2.8Å; D118-H199 PolarHBondContact OD2-CE1 2.98Å; D118-H199 IonicContact OD2-NE2 2.78Å; D118-H199 PolarHBondContact OD2-NE2 3.4Å
119	Y	98.9	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.			trans	-77	-22.7	175	-48.3	-67.8	0	0	0	112.7	G93 F115 L133 W134 L146 L147 E152 L185	G93-Y119 PolarHBondContact N-O 3.07Å; F115-Y119 HydrophobicContact CB-CE1 3.66Å; F115-Y119 HydrophobicContact CD1-CE1 4.45Å; F115-Y119 HydrophobicContact CG-CE1 4.23Å; Y119-L133 HydrophobicContact CD1-CD1 3.37Å; Y119-L133 HydrophobicContact CE1-CD1 3.85Å; Y119-L133 HydrophobicContact CG-CD1 4.16Å; Y119-W134 HydrophobicContact CD2-CH2 4.5Å; Y119-W134 HydrophobicContact CD2-CZ3 4.36Å; Y119-L146 HydrophobicContact CE1-CD2 3.93Å; Y119-L146 WeakPolarHBondContact OH-CA 3.36Å; Y119-L146 WeakPolarHBondContact OH-CB 3.34Å; Y119-L147 VanDerWaalsContact CE2-O 3.3Å; Y119-L147 WeakPolarHBondContact CE2-O 3.32Å; Y119-L147 PolarHBondContact OH-N 2.78Å; Y119-L147 PolarHBondContact OH-O 2.77Å; Y119-E152 HydrophobicContact CD2-CG 3.78Å; Y119-E152 VanDerWaalsContact CD2-OE1 3.31Å; Y119-E152 WeakPolarHBondContact CD2-OE1 3.39Å; Y119-E152 HydrophobicContact CE2-CG 4.16Å; Y119-E152 PolarHBondContact N-OE1 3Å; Y119-L185 HydrophobicContact CE2-CD1 4.28Å
120	V	98.8	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-124.2	177.2	-165.7	-57.7	0	0	0	0	113.6	H92 D118 V130 H151 T157 F162 F182	H92-V120 PolarHBondContact ND1-O 3.18Å; D118-V120 VanDerWaalsContact C-N 3.33Å; V120-V130 HydrophobicContact CG1-CG2 3.44Å; V120-V130 VanDerWaalsContact CG1-CG2 3.44Å; V120-H151 HydrophobicContact CG2-CB 4.15Å; V120-H151 WeakPolarHBondContact CG2-O 3.46Å; V120-T157 HydrophobicContact CG2-CG2 3.73Å; V120-F162 HydrophobicContact CB-CB 4.21Å; V120-F162 HydrophobicContact CB-CD1 4.16Å; V120-F162 HydrophobicContact CB-CD2 4.16Å; V120-F162 HydrophobicContact CB-CG 3.93Å; V120-F162 HydrophobicContact CG1-CD1 4.14Å; V120-F162 HydrophobicContact CG1-CD2 4.05Å; V120-F162 HydrophobicContact CG1-CE1 4.02Å; V120-F162 HydrophobicContact CG1-CE2 3.92Å; V120-F162 HydrophobicContact CG1-CG 4.13Å; V120-F162 HydrophobicContact CG1-CZ 3.89Å; V120-F162 HydrophobicContact CG2-CD1 4.23Å; V120-F162 HydrophobicContact CG2-CG 4.38Å; V120-F182 HydrophobicContact CG1-CE2 4.27Å; V120-F182 HydrophobicContact CG1-CZ 3.78Å; V120-F182 HydrophobicContact CG2-CE2 4.16Å; V120-F182 HydrophobicContact CG2-CZ 4.45Å
121	D	97.5	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	60.4	174.3	-174.6	-72.1	-37.9	0	0	0	113.7	H92 G123 S126 H151 T157 F160 T161 F162	H92-D121 CarbonylContact C-O 3.51Å; H92-D121 WeakPolarHBondContact CA-O 3.37Å; D121-G123 PolarHBondContact O-N 3Å; D121-S126 PolarHBondContact N-OG 3.3Å; D121-S126 VanDerWaalsContact N-OG 3.11Å; D121-H151 VanDerWaalsContact CB-ND1 3.34Å; D121-H151 WeakPolarHBondContact CB-ND1 3.4Å; D121-H151 IonicContact OD2-CE1 3.32Å; D121-H151 IonicContact OD2-CG 3.62Å; D121-H151 IonicContact OD2-ND1 2.79Å; D121-H151 PolarHBondContact OD2-ND1 2.82Å; D121-T157 WeakPolarHBondContact OD2-CA 3.47Å; D121-T157 WeakPolarHBondContact OD2-CG2 3.34Å; D121-F160 HydrophobicContact CB-CB 3.88Å; D121-F160 HydrophobicContact CB-CG 4.41Å; D121-F160 VanDerWaalsContact CG-CB 3.42Å; D121-F160 WeakPolarHBondContact OD1-CB 3.38Å; D121-T161 PolarHBondContact OD1-N 3.48Å; D121-T161 VanDerWaalsContact OD1-N 3.09Å; D121-F162 VanDerWaalsContact OD1-CB 3.22Å; D121-F162 WeakPolarHBondContact OD1-CB 3.33Å; D121-F162 PolarHBondContact OD1-N 2.91Å
122	R	94.9	Very high	98.2	Very high	30 Å²	30	16.1 Å²	16.1	11%	0.113	7%	0.069	C	C	.	.	S	Bend	trans	66.9	-68.4	179.5	-46.9	-64	-152.6	99.1	-6.1	112.3	H92 T161 Y311 L312 D425 N428	H92-R122 HydrophobicContact CB-CB 4.18Å; H92-R122 HydrophobicContact CB-CG 4.49Å; R122-T161 PolarHBondContact N-OG1 2.89Å; R122-Y311 HydrophobicContact CB-CE2 4.24Å; R122-Y311 HydrophobicContact CG-CE2 4.43Å; R122-Y311 VanDerWaalsContact CZ-OH 3.26Å; R122-Y311 PolarHBondContact NH1-OH 3.21Å; R122-L312 HydrophobicContact CB-CD2 3.66Å; R122-L312 HydrophobicContact CG-CD2 4.32Å; R122-D425 IonicContact CZ-OD1 3.56Å; R122-D425 IonicContact CZ-OD2 2.69Å; R122-D425 IonicContact NH1-OD1 2.89Å; R122-D425 PolarHBondContact NH1-OD1 2.97Å; R122-D425 IonicContact NH1-OD2 2.92Å; R122-D425 PolarHBondContact NH1-OD2 3.47Å; R122-D425 IonicContact NH2-OD1 2.7Å; R122-D425 IonicContact NH2-OD2 3.95Å; R122-N428 VanDerWaalsContact NH2-C 3.34Å; R122-N428 PolarHBondContact NH2-O 3.09Å; R122-N428 VanDerWaalsContact NH2-O 3.07Å
123	G	95.8	Very high	98.3	Very high	17 Å²	17	13.7 Å²	13.7	18%	0.175	6%	0.06	C	C	.	.	S	Bend	trans	-73.9	167.8	170.4	0	0	0	0	0	113.4	H92 D121 S126	H92-G123 WeakPolarHBondContact O-CA 3.33Å; H92-G123 PolarHBondContact O-N 2.9Å; H92-G123 VanDerWaalsContact O-N 3.08Å; D121-G123 PolarHBondContact O-N 3Å; G123-S126 PolarHBondContact O-OG 2.91Å
124	Y	98.1	Very high	98.4	Very high	169 Å²	169	13.7 Å²	13.7	66%	0.663	6%	0.06	S	C	*	.	S	Bend	trans	-106.7	11.4	-169.7	-58.4	-21	0	0	0	114.8	T161 K169	Y124-T161 HydrophobicContact CE1-CG2 4.39Å; Y124-K169 PolarHBondContact O-NZ 2.96Å
125	F	98.7	Very high	98.4	Very high	51 Å²	51	13.7 Å²	13.7	22%	0.224	6%	0.06	C	C	.	.			trans	-124.4	36.1	175.1	-52.1	-84.8	0	0	0	112.3	E53 G93 F95 F96 I127 E128 C129	E53-F125 HydrophobicContact CG-CE1 4.21Å; G93-F125 CarbonylContact O-C 3.27Å; G93-F125 VanDerWaalsContact O-CA 3.31Å; G93-F125 WeakPolarHBondContact O-CA 3.44Å; G93-F125 VanDerWaalsContact O-CB 3.29Å; G93-F125 WeakPolarHBondContact O-CB 3.19Å; G93-F125 PolarHBondContact O-N 3.49Å; G93-F125 VanDerWaalsContact O-N 3.09Å; F95-F125 HydrophobicContact CB-CB 3.49Å; F95-F125 VanDerWaalsContact CB-CB 3.49Å; F95-F125 HydrophobicContact CB-CG 4.39Å; F96-F125 HydrophobicContact CD2-CD2 4.12Å; F96-F125 HydrophobicContact CD2-CE2 4.19Å; F96-F125 HydrophobicContact CE2-CD1 4.1Å; F96-F125 AromaticContact CE2-CD2 3.92Å; F96-F125 HydrophobicContact CE2-CD2 3.92Å; F96-F125 AromaticContact CE2-CE1 3.97Å; F96-F125 HydrophobicContact CE2-CE1 3.97Å; F96-F125 AromaticContact CE2-CE2 3.78Å; F96-F125 HydrophobicContact CE2-CE2 3.78Å; F96-F125 HydrophobicContact CE2-CG 4.08Å; F96-F125 AromaticContact CE2-CZ 3.81Å; F96-F125 HydrophobicContact CE2-CZ 3.81Å; F125-I127 PolarHBondContact O-N 3.08Å; F125-E128 VanDerWaalsContact C-OE2 3.28Å; F125-E128 WeakPolarHBondContact CA-OE2 3.31Å; F125-E128 HydrophobicContact CB-CB 4.36Å; F125-E128 PolarHBondContact O-N 3.43Å; F125-C129 PolarHBondContact O-N 3.04Å; F125-C129 PolarHBondContact O-SG 2.75Å
126	S	98.9	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.4	-40.9	-179.7	-58.9	0	0	0	0	112.5	D121 G123 E128 C129 V130 E165	D121-S126 PolarHBondContact N-OG 3.3Å; D121-S126 VanDerWaalsContact N-OG 3.11Å; G123-S126 PolarHBondContact O-OG 2.91Å; S126-E128 VanDerWaalsContact C-N 3.35Å; S126-C129 WeakPolarHBondContact O-CB 3.27Å; S126-C129 PolarHBondContact O-N 2.92Å; S126-V130 WeakPolarHBondContact O-CG2 3.2Å; S126-V130 PolarHBondContact O-N 3.06Å; S126-E165 WeakPolarHBondContact CB-OE2 3.3Å; S126-E165 PolarHBondContact N-OE1 3.1Å; S126-E165 PolarHBondContact N-OE2 2.84Å; S126-E165 PolarHBondContact OG-OE2 2.91Å
127	I	98.9	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-73	-29.6	179.9	-163.4	57.3	0	0	0	111.9	F125 L131 F162 E165 K169 Y170 V174	F125-I127 PolarHBondContact O-N 3.08Å; I127-L131 HydrophobicContact CD1-CG 4.35Å; I127-L131 HydrophobicContact CG1-CD1 3.98Å; I127-L131 HydrophobicContact CG1-CG 4.23Å; I127-L131 VanDerWaalsContact O-CB 3.25Å; I127-L131 WeakPolarHBondContact O-CB 3.41Å; I127-L131 WeakPolarHBondContact O-CD1 3.22Å; I127-L131 WeakPolarHBondContact O-CG 3.33Å; I127-L131 PolarHBondContact O-N 3.14Å; I127-F162 HydrophobicContact CB-CE2 4.08Å; I127-F162 HydrophobicContact CD1-CE2 3.99Å; I127-F162 HydrophobicContact CD1-CZ 4.04Å; I127-E165 WeakPolarHBondContact CG2-OE1 3.21Å; I127-E165 PolarHBondContact N-OE1 3.45Å; I127-K169 HydrophobicContact CG2-CB 4.45Å; I127-K169 HydrophobicContact CG2-CD 3.53Å; I127-Y170 HydrophobicContact CG1-CD2 3.99Å; I127-Y170 HydrophobicContact CG1-CE2 3.91Å; I127-Y170 HydrophobicContact CG2-CD2 4.16Å; I127-Y170 HydrophobicContact CG2-CE2 3.74Å; I127-V174 HydrophobicContact CD1-CG1 3.94Å; I127-V174 HydrophobicContact CG1-CG1 4.44Å
128	E	98.9	Very high	98.4	Very high	3 Å²	3	15 Å²	15	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-69.3	-40.2	172.5	-65.8	81.5	179.4	0	0	111.2	L50 F95 F125 S126 Y132 K169	L50-E128 HydrophobicContact CB-CB 4.4Å; L50-E128 HydrophobicContact CB-CG 4.19Å; L50-E128 HydrophobicContact CD1-CB 4.09Å; L50-E128 HydrophobicContact CD1-CG 4.37Å; L50-E128 HydrophobicContact CD2-CG 4.05Å; L50-E128 HydrophobicContact CG-CG 4.41Å; F95-E128 HydrophobicContact CB-CB 4.1Å; F95-E128 HydrophobicContact CD1-CB 4.11Å; F95-E128 VanDerWaalsContact CD2-C 3.49Å; F95-E128 HydrophobicContact CD2-CB 3.67Å; F95-E128 HydrophobicContact CE2-CB 4.12Å; F95-E128 HydrophobicContact CG-CB 3.66Å; F125-E128 VanDerWaalsContact C-OE2 3.28Å; F125-E128 WeakPolarHBondContact CA-OE2 3.31Å; F125-E128 HydrophobicContact CB-CB 4.36Å; F125-E128 PolarHBondContact O-N 3.43Å; S126-E128 VanDerWaalsContact C-N 3.35Å; E128-Y132 VanDerWaalsContact O-CB 3.24Å; E128-Y132 WeakPolarHBondContact O-CB 3.37Å; E128-Y132 PolarHBondContact O-N 3.14Å; E128-K169 WeakPolarHBondContact OE1-CD 3.47Å; E128-K169 WeakPolarHBondContact OE1-CE 3.35Å; E128-K169 IonicContact OE1-NZ 3.67Å; E128-K169 PolarHBondContact OE1-NZ 3.09Å; E128-K169 IonicContact OE2-NZ 2.86Å; E128-K169 PolarHBondContact OE2-NZ 2.9Å
129	C	98.9	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.6	-54	169.4	-73	0	0	0	0	111.7	F95 L98 F125 S126 Y132 L133	F95-C129 VanDerWaalsContact CA-SG 3.51Å; L98-C129 HydrophobicContact CD2-CB 4.29Å; F125-C129 PolarHBondContact O-N 3.04Å; F125-C129 PolarHBondContact O-SG 2.75Å; S126-C129 WeakPolarHBondContact O-CB 3.27Å; S126-C129 PolarHBondContact O-N 2.92Å; C129-Y132 PolarHBondContact O-N 2.82Å; C129-L133 WeakPolarHBondContact O-CB 3.32Å; C129-L133 WeakPolarHBondContact O-CG 3.19Å; C129-L133 PolarHBondContact O-N 3.42Å
130	V	98.9	Very high	98.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.2	-50.6	-179.7	171.5	0	0	0	0	111.4	V120 S126 Y132 L133 W134 F162 F182	V120-V130 HydrophobicContact CG1-CG2 3.44Å; V120-V130 VanDerWaalsContact CG1-CG2 3.44Å; S126-V130 WeakPolarHBondContact O-CG2 3.2Å; S126-V130 PolarHBondContact O-N 3.06Å; V130-Y132 VanDerWaalsContact C-N 3.3Å; V130-Y132 PolarHBondContact O-N 3.46Å; V130-L133 PolarHBondContact O-N 2.9Å; V130-W134 HydrophobicContact CG1-CD2 4.15Å; V130-W134 HydrophobicContact CG1-CE3 3.92Å; V130-W134 HydrophobicContact CG1-CZ3 4.19Å; V130-W134 WeakPolarHBondContact O-CB 3.36Å; V130-W134 VanDerWaalsContact O-CE3 3.28Å; V130-W134 PolarHBondContact O-N 3.37Å; V130-F162 HydrophobicContact CG2-CZ 4.15Å; V130-F182 HydrophobicContact CG1-CE1 4.33Å; V130-F182 HydrophobicContact CG2-CE1 4.07Å; V130-F182 HydrophobicContact CG2-CZ 3.86Å
131	L	98.9	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.4	-38.2	-179.1	-73	170.4	0	0	0	112.2	L56 A61 I64 I65 I127 A135 Y170	L56-L131 HydrophobicContact CD1-CD1 3.98Å; L56-L131 HydrophobicContact CD1-CD2 4.25Å; L56-L131 HydrophobicContact CG-CD1 4.42Å; A61-L131 HydrophobicContact CB-CD1 4.46Å; A61-L131 HydrophobicContact CB-CD2 3.89Å; I64-L131 HydrophobicContact CB-CD2 4.21Å; I64-L131 HydrophobicContact CD1-CD2 4.33Å; I64-L131 HydrophobicContact CG2-CD2 4.2Å; I64-L131 WeakPolarHBondContact CG2-O 3.31Å; I65-L131 HydrophobicContact CD1-CD2 4.15Å; I65-L131 HydrophobicContact CG1-CD2 4.11Å; I127-L131 HydrophobicContact CD1-CG 4.35Å; I127-L131 HydrophobicContact CG1-CD1 3.98Å; I127-L131 HydrophobicContact CG1-CG 4.23Å; I127-L131 VanDerWaalsContact O-CB 3.25Å; I127-L131 WeakPolarHBondContact O-CB 3.41Å; I127-L131 WeakPolarHBondContact O-CD1 3.22Å; I127-L131 WeakPolarHBondContact O-CG 3.33Å; I127-L131 PolarHBondContact O-N 3.14Å; L131-A135 VanDerWaalsContact O-CB 3.25Å; L131-A135 WeakPolarHBondContact O-CB 3.46Å; L131-A135 PolarHBondContact O-N 3.08Å; L131-A135 VanDerWaalsContact O-N 3.08Å; L131-Y170 HydrophobicContact CD1-CE2 4.11Å
132	Y	98.9	Very high	98.5	Very high	15 Å²	15	27.9 Å²	27.9	6%	0.059	13%	0.128	C	C	.	.	H	α-helix	trans	-75.5	-42.6	179.6	-167	-107.6	0	0	0	112.7	V43 L46 K47 F95 M99 F102 E128 C129 V130 A135 L136	V43-Y132 HydrophobicContact CB-CE2 4.19Å; L46-Y132 HydrophobicContact CB-CD2 4.45Å; L46-Y132 HydrophobicContact CD2-CD2 3.96Å; L46-Y132 HydrophobicContact CG-CD2 4.07Å; K47-Y132 HydrophobicContact CB-CE2 3.74Å; F95-Y132 HydrophobicContact CE2-CD1 4.37Å; F95-Y132 HydrophobicContact CE2-CG 4.02Å; M99-Y132 HydrophobicContact CE-CD1 3.64Å; M99-Y132 HydrophobicContact CE-CE1 3.66Å; M99-Y132 HydrophobicContact CE-CG 4.34Å; M99-Y132 HydrophobicContact SD-CE1 4.23Å; F102-Y132 HydrophobicContact CD2-CE1 4.04Å; F102-Y132 HydrophobicContact CE2-CD1 4.12Å; F102-Y132 AromaticContact CE2-CE1 3.79Å; F102-Y132 HydrophobicContact CE2-CE1 3.79Å; E128-Y132 VanDerWaalsContact O-CB 3.24Å; E128-Y132 WeakPolarHBondContact O-CB 3.37Å; E128-Y132 PolarHBondContact O-N 3.14Å; C129-Y132 PolarHBondContact O-N 2.82Å; V130-Y132 VanDerWaalsContact C-N 3.3Å; V130-Y132 PolarHBondContact O-N 3.46Å; Y132-A135 PolarHBondContact O-N 2.88Å; Y132-L136 HydrophobicContact CD1-CD1 3.74Å; Y132-L136 HydrophobicContact CD1-CG 4.37Å; Y132-L136 HydrophobicContact CE1-CD1 3.48Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.48Å; Y132-L136 HydrophobicContact CE1-CG 4.13Å; Y132-L136 WeakPolarHBondContact O-CB 3.43Å; Y132-L136 WeakPolarHBondContact O-CG 3.46Å; Y132-L136 PolarHBondContact O-N 2.96Å
133	L	98.9	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.2	-36.8	176.8	-70.9	173.3	0	0	0	112.3	L98 F102 F115 Y119 C129 V130 L136 K137 L146	L98-L133 HydrophobicContact CD1-CD2 4.35Å; L98-L133 HydrophobicContact CD2-CD1 4.19Å; L98-L133 HydrophobicContact CD2-CD2 4.25Å; L98-L133 HydrophobicContact CD2-CG 4.01Å; F102-L133 HydrophobicContact CE2-CD2 4.39Å; F102-L133 HydrophobicContact CZ-CD2 3.94Å; F115-L133 HydrophobicContact CD2-CD2 4.43Å; F115-L133 HydrophobicContact CE1-CD2 4.35Å; F115-L133 HydrophobicContact CE2-CD2 3.96Å; F115-L133 HydrophobicContact CZ-CD2 3.93Å; Y119-L133 HydrophobicContact CD1-CD1 3.37Å; Y119-L133 HydrophobicContact CE1-CD1 3.85Å; Y119-L133 HydrophobicContact CG-CD1 4.16Å; C129-L133 WeakPolarHBondContact O-CB 3.32Å; C129-L133 WeakPolarHBondContact O-CG 3.19Å; C129-L133 PolarHBondContact O-N 3.42Å; V130-L133 PolarHBondContact O-N 2.9Å; L133-L136 HydrophobicContact CD2-CD1 4.49Å; L133-L136 PolarHBondContact O-N 2.91Å; L133-K137 WeakPolarHBondContact O-CB 3.28Å; L133-K137 PolarHBondContact O-N 2.91Å; L133-L146 HydrophobicContact CB-CD1 4.27Å; L133-L146 HydrophobicContact CB-CD2 4.31Å; L133-L146 HydrophobicContact CD1-CD2 4.43Å; L133-L146 HydrophobicContact CD2-CD2 4.34Å
134	W	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-41	173.4	-92	-121.9	0	0	0	111.8	I64 I65 L72 Y119 V130 L136 K137 I138 L146 A181 F182 L185	I64-W134 HydrophobicContact CG2-CB 3.64Å; I65-W134 VanDerWaalsContact O-CD1 3.31Å; L72-W134 HydrophobicContact CD1-CZ2 3.79Å; Y119-W134 HydrophobicContact CD2-CH2 4.5Å; Y119-W134 HydrophobicContact CD2-CZ3 4.36Å; V130-W134 HydrophobicContact CG1-CD2 4.15Å; V130-W134 HydrophobicContact CG1-CE3 3.92Å; V130-W134 HydrophobicContact CG1-CZ3 4.19Å; V130-W134 WeakPolarHBondContact O-CB 3.36Å; V130-W134 VanDerWaalsContact O-CE3 3.28Å; V130-W134 PolarHBondContact O-N 3.37Å; W134-L136 VanDerWaalsContact C-N 3.32Å; W134-L136 PolarHBondContact O-N 2.84Å; W134-K137 PolarHBondContact O-N 2.88Å; W134-K137 VanDerWaalsContact O-N 3.14Å; W134-I138 WeakPolarHBondContact O-CD1 3.46Å; W134-I138 VanDerWaalsContact O-CG1 3.32Å; W134-I138 WeakPolarHBondContact O-CG1 3.48Å; W134-I138 PolarHBondContact O-N 3.15Å; W134-L146 HydrophobicContact CE3-CD1 3.91Å; W134-L146 HydrophobicContact CH2-CD1 4.4Å; W134-L146 HydrophobicContact CZ3-CD1 3.86Å; W134-A181 HydrophobicContact CZ2-CB 4.21Å; W134-F182 AromaticContact CH2-CD1 3.77Å; W134-F182 HydrophobicContact CH2-CD1 3.77Å; W134-F182 AromaticContact CH2-CE1 3.61Å; W134-F182 HydrophobicContact CH2-CE1 3.61Å; W134-F182 AromaticContact CZ2-CD1 3.84Å; W134-F182 HydrophobicContact CZ2-CD1 3.84Å; W134-F182 AromaticContact CZ2-CE1 3.96Å; W134-F182 HydrophobicContact CZ2-CE1 3.96Å; W134-F182 HydrophobicContact CZ3-CE1 4.34Å; W134-L185 HydrophobicContact CH2-CD1 4.18Å; W134-L185 HydrophobicContact CH2-CD2 4.01Å; W134-L185 HydrophobicContact CH2-CG 4.41Å; W134-L185 HydrophobicContact CZ2-CD2 4.27Å
135	A	98.9	Very high	98.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.5	-42.1	173.1	0	0	0	0	0	111.8	P41 V43 L46 I64 L131 Y132 I138 L139	P41-A135 HydrophobicContact CB-CB 3.99Å; P41-A135 HydrophobicContact CG-CB 4.11Å; P41-A135 WeakPolarHBondContact CG-O 3.33Å; V43-A135 HydrophobicContact CG1-CB 4.22Å; L46-A135 HydrophobicContact CD2-CB 3.47Å; L46-A135 VanDerWaalsContact CD2-CB 3.47Å; I64-A135 HydrophobicContact CG2-CB 4.27Å; L131-A135 VanDerWaalsContact O-CB 3.25Å; L131-A135 WeakPolarHBondContact O-CB 3.46Å; L131-A135 PolarHBondContact O-N 3.08Å; L131-A135 VanDerWaalsContact O-N 3.08Å; Y132-A135 PolarHBondContact O-N 2.88Å; A135-I138 PolarHBondContact O-N 2.8Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 PolarHBondContact O-N 3.4Å
136	L	98.9	Very high	98.8	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64.6	-38.5	172	-73.5	173	0	0	0	112.5	V43 F102 P108 Y132 L133 W134 I138 L139 Y140 L144	V43-L136 HydrophobicContact CB-CD2 4.44Å; V43-L136 HydrophobicContact CG1-CD2 4.06Å; V43-L136 HydrophobicContact CG1-CG 4.48Å; V43-L136 HydrophobicContact CG2-CD2 4.47Å; F102-L136 HydrophobicContact CE1-CD1 4.22Å; F102-L136 HydrophobicContact CE2-CD1 3.75Å; F102-L136 HydrophobicContact CZ-CD1 3.5Å; P108-L136 HydrophobicContact CB-CD2 3.99Å; P108-L136 HydrophobicContact CG-CD1 4.14Å; P108-L136 HydrophobicContact CG-CD2 4.07Å; Y132-L136 HydrophobicContact CD1-CD1 3.74Å; Y132-L136 HydrophobicContact CD1-CG 4.37Å; Y132-L136 HydrophobicContact CE1-CD1 3.48Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.48Å; Y132-L136 HydrophobicContact CE1-CG 4.13Å; Y132-L136 WeakPolarHBondContact O-CB 3.43Å; Y132-L136 WeakPolarHBondContact O-CG 3.46Å; Y132-L136 PolarHBondContact O-N 2.96Å; L133-L136 HydrophobicContact CD2-CD1 4.49Å; L133-L136 PolarHBondContact O-N 2.91Å; W134-L136 VanDerWaalsContact C-N 3.32Å; W134-L136 PolarHBondContact O-N 2.84Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 2.7Å; L136-L139 PolarHBondContact O-N 3.45Å; L136-Y140 HydrophobicContact CD2-CD2 3.78Å; L136-Y140 HydrophobicContact CD2-CE2 3.67Å; L136-Y140 WeakPolarHBondContact O-CA 3.32Å; L136-Y140 WeakPolarHBondContact O-CB 3.33Å; L136-Y140 PolarHBondContact O-N 2.93Å; L136-L144 HydrophobicContact CB-CD1 4Å; L136-L144 HydrophobicContact CB-CD2 4.32Å; L136-L144 HydrophobicContact CD1-CD1 4.2Å
137	K	98.9	Very high	98.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.5	-34	176.3	-176.7	68.1	-162.5	-174.1	0	112.3	I71 L72 E75 L133 W134 P141 L144 L146	I71-K137 HydrophobicContact CG2-CG 4.49Å; L72-K137 HydrophobicContact CD2-CD 4.23Å; L72-K137 HydrophobicContact CD2-CG 4.28Å; L72-K137 HydrophobicContact CG-CG 4.45Å; E75-K137 IonicContact OE1-NZ 2.79Å; E75-K137 PolarHBondContact OE1-NZ 2.76Å; E75-K137 WeakPolarHBondContact OE2-CE 3.33Å; E75-K137 IonicContact OE2-NZ 3.35Å; E75-K137 PolarHBondContact OE2-NZ 2.96Å; L133-K137 WeakPolarHBondContact O-CB 3.28Å; L133-K137 PolarHBondContact O-N 2.91Å; W134-K137 PolarHBondContact O-N 2.88Å; W134-K137 VanDerWaalsContact O-N 3.14Å; K137-P141 VanDerWaalsContact O-CA 3.25Å; K137-P141 WeakPolarHBondContact O-CA 3.29Å; K137-P141 WeakPolarHBondContact O-CB 3.46Å; K137-L144 HydrophobicContact CB-CD2 4.16Å; K137-L144 HydrophobicContact CD-CD2 4.39Å; K137-L144 VanDerWaalsContact CD-O 3.24Å; K137-L144 WeakPolarHBondContact CD-O 3.24Å; K137-L144 PolarHBondContact NZ-O 3.33Å; K137-L146 HydrophobicContact CB-CD1 4.19Å
138	I	98.9	Very high	98.8	Very high	27 Å²	27	18.1 Å²	18.1	14%	0.138	9%	0.089	C	C	.	.	H	α-helix	trans	-68.8	-41.8	172.6	-64.7	155	0	0	0	111.3	P41 I64 E67 I71 W134 A135 L136	P41-I138 HydrophobicContact CG-CB 4.09Å; P41-I138 HydrophobicContact CG-CG2 4.07Å; I64-I138 HydrophobicContact CG2-CD1 4.36Å; I64-I138 WeakPolarHBondContact O-CD1 3.38Å; E67-I138 HydrophobicContact CB-CD1 3.73Å; E67-I138 HydrophobicContact CB-CG1 4.04Å; I71-I138 HydrophobicContact CD1-CB 4.25Å; I71-I138 HydrophobicContact CD1-CG1 4Å; W134-I138 WeakPolarHBondContact O-CD1 3.46Å; W134-I138 VanDerWaalsContact O-CG1 3.32Å; W134-I138 WeakPolarHBondContact O-CG1 3.48Å; W134-I138 PolarHBondContact O-N 3.15Å; A135-I138 PolarHBondContact O-N 2.8Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 2.7Å
139	L	98.8	Very high	98.8	Very high	45 Å²	45	18 Å²	18	24%	0.236	9%	0.088	C	C	.	.	H	α-helix	trans	-75.8	-33.4	-178.4	-172.9	58.6	0	0	0	113.2	K40 P41 V43 A135 L136 P141	K40-L139 HydrophobicContact CB-CD1 4.17Å; K40-L139 HydrophobicContact CD-CD1 4.44Å; P41-L139 HydrophobicContact CG-CB 4.21Å; V43-L139 HydrophobicContact CB-CD2 4.41Å; V43-L139 HydrophobicContact CG1-CD2 3.84Å; V43-L139 HydrophobicContact CG2-CD2 3.67Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 PolarHBondContact O-N 3.4Å; L136-L139 PolarHBondContact O-N 3.45Å; L139-P141 WeakPolarHBondContact O-CD 3.22Å
140	Y	98.8	Very high	98.8	Very high	51 Å²	51	18.2 Å²	18.2	20%	0.2	9%	0.089	C	C	.	.			trans	-126.2	50.2	-172	-58.7	-58.5	0	0	0	113.3	P108 A109 L136 K142 T143 L144	P108-Y140 HydrophobicContact CB-CD2 3.73Å; P108-Y140 HydrophobicContact CB-CE2 3.79Å; A109-Y140 HydrophobicContact CB-CE1 4.35Å; A109-Y140 WeakPolarHBondContact CB-OH 3.48Å; L136-Y140 HydrophobicContact CD2-CD2 3.78Å; L136-Y140 HydrophobicContact CD2-CE2 3.67Å; L136-Y140 WeakPolarHBondContact O-CA 3.32Å; L136-Y140 WeakPolarHBondContact O-CB 3.33Å; L136-Y140 PolarHBondContact O-N 2.93Å; Y140-K142 PolarHBondContact O-N 3.43Å; Y140-T143 WeakPolarHBondContact CB-OG1 3.49Å; Y140-T143 PolarHBondContact O-N 3.5Å; Y140-T143 VanDerWaalsContact O-N 3.1Å; Y140-L144 PolarHBondContact O-N 3.15Å
141	P	98.7	Very high	98.8	Very high	42 Å²	42	18.5 Å²	18.5	27%	0.273	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-2.8	-165.5	29.4	-38.2	0	0	0	115.8	I71 K137 L139	I71-P141 HydrophobicContact CD1-CB 4.39Å; I71-P141 HydrophobicContact CG2-CB 3.95Å; K137-P141 VanDerWaalsContact O-CA 3.25Å; K137-P141 WeakPolarHBondContact O-CA 3.29Å; K137-P141 WeakPolarHBondContact O-CB 3.46Å; L139-P141 WeakPolarHBondContact O-CD 3.22Å
142	K	98.6	Very high	98.8	Very high	134 Å²	134	18.5 Å²	18.5	58%	0.583	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.4	5.6	177.9	-57.6	-63.6	157.9	-147.7	0	113.9	E75 R112 Y140 F145	E75-K142 IonicContact OE1-NZ 2.68Å; R112-K142 PolarHBondContact NH1-O 3.05Å; R112-K142 VanDerWaalsContact NH1-O 3.1Å; Y140-K142 PolarHBondContact O-N 3.43Å; K142-F145 WeakPolarHBondContact O-CZ 3.31Å
143	T	98.5	Very high	98.8	Very high	48 Å²	48	18 Å²	18	29%	0.294	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-21.8	175	50	0	0	0	0	113.2	R112 Y113 Y140	R112-T143 CarbonylContact C-O 3.48Å; R112-T143 VanDerWaalsContact CA-O 3.23Å; R112-T143 WeakPolarHBondContact CA-O 3.27Å; R112-T143 HydrophobicContact CG-CG2 3.92Å; Y113-T143 PolarHBondContact N-O 2.68Å; Y140-T143 WeakPolarHBondContact CB-OG1 3.49Å; Y140-T143 PolarHBondContact O-N 3.5Å; Y140-T143 VanDerWaalsContact O-N 3.1Å
144	L	98.7	Very high	98.8	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.7	170.4	-172.2	136.8	0	0	0	111	F102 P108 Y113 F115 L136 K137 Y140 L146	F102-L144 HydrophobicContact CE1-CD1 4.47Å; P108-L144 HydrophobicContact CB-CD1 4.36Å; P108-L144 HydrophobicContact CG-CD1 4.49Å; Y113-L144 HydrophobicContact CG-CD1 4.47Å; F115-L144 HydrophobicContact CE2-CD1 4.13Å; L136-L144 HydrophobicContact CB-CD1 4Å; L136-L144 HydrophobicContact CB-CD2 4.32Å; L136-L144 HydrophobicContact CD1-CD1 4.2Å; K137-L144 HydrophobicContact CB-CD2 4.16Å; K137-L144 HydrophobicContact CD-CD2 4.39Å; K137-L144 VanDerWaalsContact CD-O 3.24Å; K137-L144 WeakPolarHBondContact CD-O 3.24Å; K137-L144 PolarHBondContact NZ-O 3.33Å; Y140-L144 PolarHBondContact O-N 3.15Å; L144-L146 HydrophobicContact CD2-CD1 4.46Å; L144-L146 HydrophobicContact CD2-CD2 3.99Å; L144-L146 HydrophobicContact CD2-CG 4.05Å
145	F	98.9	Very high	98.7	Very high	14 Å²	14	22.8 Å²	22.8	6%	0.061	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.9	-175	-56.4	-79.3	0	0	0	110.2	L79 I81 Y113 L114 F115 K142	L79-F145 HydrophobicContact CD1-CB 3.95Å; L79-F145 HydrophobicContact CD1-CD1 3.89Å; L79-F145 HydrophobicContact CD1-CG 4.23Å; I81-F145 HydrophobicContact CD1-CB 3.8Å; I81-F145 HydrophobicContact CD1-CD1 4.16Å; I81-F145 HydrophobicContact CD1-CD2 3.61Å; I81-F145 HydrophobicContact CD1-CE2 4.2Å; I81-F145 HydrophobicContact CD1-CG 3.58Å; I81-F145 HydrophobicContact CG1-CD2 4.08Å; I81-F145 HydrophobicContact CG1-CE2 4.15Å; I81-F145 HydrophobicContact CG1-CG 4.25Å; I81-F145 HydrophobicContact CG1-CZ 4.39Å; I81-F145 HydrophobicContact CG2-CD2 4.22Å; I81-F145 HydrophobicContact CG2-CE2 4.12Å; Y113-F145 WeakPolarHBondContact O-CD2 3.38Å; Y113-F145 PolarHBondContact O-N 2.79Å; L114-F145 HydrophobicContact CD1-CB 3.92Å; F115-F145 PolarHBondContact N-O 2.92Å; K142-F145 WeakPolarHBondContact O-CZ 3.31Å
146	L	99	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.9	-177.3	-58.7	175.3	0	0	0	107	L72 F115 Y119 L133 W134 K137 L144 L185 P186	L72-L146 HydrophobicContact CD2-CB 4.43Å; F115-L146 HydrophobicContact CB-CD2 4Å; F115-L146 HydrophobicContact CD2-CD2 3.79Å; F115-L146 HydrophobicContact CG-CD2 4.09Å; Y119-L146 HydrophobicContact CE1-CD2 3.93Å; Y119-L146 WeakPolarHBondContact OH-CA 3.36Å; Y119-L146 WeakPolarHBondContact OH-CB 3.34Å; L133-L146 HydrophobicContact CB-CD1 4.27Å; L133-L146 HydrophobicContact CB-CD2 4.31Å; L133-L146 HydrophobicContact CD1-CD2 4.43Å; L133-L146 HydrophobicContact CD2-CD2 4.34Å; W134-L146 HydrophobicContact CE3-CD1 3.91Å; W134-L146 HydrophobicContact CH2-CD1 4.4Å; W134-L146 HydrophobicContact CZ3-CD1 3.86Å; K137-L146 HydrophobicContact CB-CD1 4.19Å; L144-L146 HydrophobicContact CD2-CD1 4.46Å; L144-L146 HydrophobicContact CD2-CD2 3.99Å; L144-L146 HydrophobicContact CD2-CG 4.05Å; L146-L185 HydrophobicContact CB-CD2 3.75Å; L146-P186 WeakPolarHBondContact O-CD 3.43Å
147	L	98.9	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.			trans	-91.3	172.7	167.8	-56.8	-173	0	0	0	110.3	L79 L114 F115 L116 Y119 P186 A188 A189 C197	L79-L147 HydrophobicContact CD1-CD2 3.88Å; L79-L147 HydrophobicContact CG-CD2 4.47Å; L114-L147 HydrophobicContact CD1-CD1 4.24Å; L114-L147 HydrophobicContact CD1-CD2 4.21Å; L114-L147 HydrophobicContact CD1-CG 3.87Å; F115-L147 PolarHBondContact O-N 2.95Å; L116-L147 HydrophobicContact CD2-CD1 3.83Å; L116-L147 WeakPolarHBondContact O-CB 3.43Å; Y119-L147 VanDerWaalsContact CE2-O 3.3Å; Y119-L147 WeakPolarHBondContact CE2-O 3.32Å; Y119-L147 PolarHBondContact OH-N 2.78Å; Y119-L147 PolarHBondContact OH-O 2.77Å; L147-P186 CarbonylContact C-O 3.59Å; L147-P186 WeakPolarHBondContact CA-O 3.43Å; L147-P186 HydrophobicContact CD2-CB 3.89Å; L147-A188 WeakPolarHBondContact CD2-O 3.26Å; L147-A189 HydrophobicContact CD2-CB 4.41Å; L147-C197 WeakPolarHBondContact CD1-O 3.36Å
148	R	98.9	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.			trans	-91.4	128.6	172.6	-157.8	175.4	-172.5	166.8	8.2	109.9	E152 F182 D183 L185 P186 L187 K219 L231	R148-E152 HydrophobicContact CG-CB 3.73Å; R148-E152 VanDerWaalsContact CZ-O 3.27Å; R148-E152 PolarHBondContact NE-O 3.44Å; R148-E152 PolarHBondContact NH2-O 2.93Å; R148-F182 PolarHBondContact NE-O 2.88Å; R148-D183 IonicContact CZ-OD1 3.8Å; R148-D183 IonicContact NH1-OD1 3.91Å; R148-D183 PolarHBondContact NH1-OD1 3.09Å; R148-D183 IonicContact NH2-OD1 3.7Å; R148-D183 PolarHBondContact NH2-OD1 2.93Å; R148-L185 HydrophobicContact CB-CB 3.68Å; R148-L185 HydrophobicContact CB-CD1 4.23Å; R148-L185 HydrophobicContact CG-CB 4.06Å; R148-L185 HydrophobicContact CG-CD1 4.03Å; R148-P186 PolarHBondContact N-O 2.79Å; R148-L187 HydrophobicContact CB-CD2 4.34Å; R148-K219 PolarHBondContact NH1-O 2.71Å; R148-L231 HydrophobicContact CB-CD2 4.22Å; R148-L231 WeakPolarHBondContact O-CD2 3.48Å
149	G	98.9	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.			trans	-92.5	-177.6	162.3	0	0	0	0	0	112.4	D118 E152 H199	D118-G149 WeakPolarHBondContact OD1-CA 3.38Å; G149-E152 VanDerWaalsContact CA-OE2 3.29Å; G149-E152 WeakPolarHBondContact CA-OE2 3.29Å; G149-E152 PolarHBondContact N-OE2 3.04Å; G149-H199 VanDerWaalsContact CA-CD2 3.41Å; G149-H199 WeakPolarHBondContact CA-CD2 3.08Å; G149-H199 VanDerWaalsContact CA-CG 3.45Å
150	N	98.7	Very high	98.1	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	13%	0.132	C	C	.	.	S	Bend	trans	-74.4	-26.5	177.9	61.3	-69.1	0	0	0	112.7	D118 E152 C153 L156 H199 L231 W232 H281	D118-N150 PolarHBondContact OD1-N 2.79Å; D118-N150 PolarHBondContact OD1-OD1 3.27Å; D118-N150 PolarHBondContact OD2-OD1 3.4Å; N150-E152 VanDerWaalsContact C-N 3.32Å; N150-C153 PolarHBondContact O-SG 2.72Å; N150-L156 WeakPolarHBondContact ND2-CD2 3.37Å; N150-H199 PolarHBondContact N-CD2 3.35Å; N150-H199 PolarHBondContact OD1-CD2 3.07Å; N150-H199 VanDerWaalsContact OD1-CD2 3.27Å; N150-H199 PolarHBondContact OD1-NE2 3.32Å; N150-L231 HydrophobicContact CB-CB 4.21Å; N150-W232 HydrophobicContact CB-CD2 3.92Å; N150-W232 HydrophobicContact CB-CE3 4.48Å; N150-W232 HydrophobicContact CB-CG 4.3Å; N150-W232 HydrophobicContact CB-CH2 4.46Å; N150-W232 HydrophobicContact CB-CZ2 3.85Å; N150-H281 VanDerWaalsContact CG-CE1 3.4Å; N150-H281 PolarHBondContact OD1-CE1 2.88Å; N150-H281 PolarHBondContact OD1-ND1 3.16Å
151	H	98.7	Very high	98.1	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.028	14%	0.135	C	C	.	.	S	Bend	trans	-76.1	-13.9	175.5	-81.4	-94.1	0	0	0	113.8	H92 D118 V120 D121 C153 T157 F160	H92-H151 AromaticContact CE1-CD2 3.55Å; H92-H151 AromaticContact CE1-NE2 3.78Å; D118-H151 HydrophobicContact CB-CB 4.42Å; D118-H151 WeakPolarHBondContact OD1-CB 3.48Å; D118-H151 IonicContact OD1-CD2 3.53Å; D118-H151 PolarHBondContact OD1-N 2.72Å; D118-H151 IonicContact OD2-CD2 3.74Å; D118-H151 PolarHBondContact OD2-CD2 2.63Å; V120-H151 HydrophobicContact CG2-CB 4.15Å; V120-H151 WeakPolarHBondContact CG2-O 3.46Å; D121-H151 VanDerWaalsContact CB-ND1 3.34Å; D121-H151 WeakPolarHBondContact CB-ND1 3.4Å; D121-H151 IonicContact OD2-CE1 3.32Å; D121-H151 IonicContact OD2-CG 3.62Å; D121-H151 IonicContact OD2-ND1 2.79Å; D121-H151 PolarHBondContact OD2-ND1 2.82Å; H151-C153 PolarHBondContact O-N 3.26Å; H151-T157 WeakPolarHBondContact O-CG2 3.11Å; H151-F160 AromaticContact CE1-CD2 3.45Å; H151-F160 VanDerWaalsContact CE1-CD2 3.45Å; H151-F160 WeakPolarHBondContact CE1-CD2 3.43Å; H151-F160 AromaticContact CE1-CE2 3.43Å; H151-F160 VanDerWaalsContact CE1-CE2 3.43Å; H151-F160 WeakPolarHBondContact CE1-CE2 3.44Å; H151-F160 AromaticContact ND1-CD2 3.92Å
152	E	98.9	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-76.9	53.1	171.8	-79.7	76.4	-124.1	0	0	112.6	D118 Y119 R148 G149 N150 F182 L185	D118-E152 WeakPolarHBondContact CA-OE1 3.41Å; D118-E152 PolarHBondContact N-OE2 3.42Å; Y119-E152 HydrophobicContact CD2-CG 3.78Å; Y119-E152 VanDerWaalsContact CD2-OE1 3.31Å; Y119-E152 WeakPolarHBondContact CD2-OE1 3.39Å; Y119-E152 HydrophobicContact CE2-CG 4.16Å; Y119-E152 PolarHBondContact N-OE1 3Å; R148-E152 HydrophobicContact CG-CB 3.73Å; R148-E152 VanDerWaalsContact CZ-O 3.27Å; R148-E152 PolarHBondContact NE-O 3.44Å; R148-E152 PolarHBondContact NH2-O 2.93Å; G149-E152 VanDerWaalsContact CA-OE2 3.29Å; G149-E152 WeakPolarHBondContact CA-OE2 3.29Å; G149-E152 PolarHBondContact N-OE2 3.04Å; N150-E152 VanDerWaalsContact C-N 3.32Å; E152-F182 HydrophobicContact CB-CB 3.97Å; E152-F182 HydrophobicContact CB-CD1 4.4Å; E152-F182 HydrophobicContact CB-CD2 3.76Å; E152-F182 HydrophobicContact CB-CE2 4.31Å; E152-F182 HydrophobicContact CB-CG 3.8Å; E152-F182 HydrophobicContact CG-CB 4.46Å; E152-F182 HydrophobicContact CG-CD1 3.96Å; E152-F182 HydrophobicContact CG-CD2 3.85Å; E152-F182 HydrophobicContact CG-CE1 4.1Å; E152-F182 HydrophobicContact CG-CE2 3.97Å; E152-F182 HydrophobicContact CG-CG 3.83Å; E152-F182 HydrophobicContact CG-CZ 4.1Å; E152-L185 HydrophobicContact CB-CD1 3.94Å; E152-L185 HydrophobicContact CG-CD1 3.68Å
153	C	98.7	Very high	98.1	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.034	10%	0.102	C	C	.	.	S	Bend	trans	-146.1	157.2	177.8	74.2	0	0	0	0	113.3	N150 H151 H155 L156 T157 E220 P221	N150-C153 PolarHBondContact O-SG 2.72Å; H151-C153 PolarHBondContact O-N 3.26Å; C153-H155 VanDerWaalsContact C-N 3.3Å; C153-H155 PolarHBondContact O-N 3.41Å; C153-L156 PolarHBondContact SG-N 2.92Å; C153-T157 WeakPolarHBondContact O-CB 3.26Å; C153-T157 WeakPolarHBondContact O-CG2 3.15Å; C153-T157 PolarHBondContact O-N 2.85Å; C153-T157 PolarHBondContact O-OG1 2.69Å; C153-E220 WeakPolarHBondContact CB-OE1 3.43Å; C153-P221 HydrophobicContact CB-CG 3.85Å
154	R	98.6	Very high	98.1	Very high	64 Å²	64	25 Å²	25	24%	0.242	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-34.5	-180	-61.9	163.9	-174.7	83.9	-3.2	111.7	E158 M179 D180 D183 E220	R154-E158 WeakPolarHBondContact O-CB 3.44Å; R154-E158 PolarHBondContact O-N 3.38Å; R154-E158 VanDerWaalsContact O-N 3.15Å; R154-M179 HydrophobicContact CB-SD 4.12Å; R154-M179 HydrophobicContact CG-CB 3.78Å; R154-M179 HydrophobicContact CG-CG 3.59Å; R154-M179 HydrophobicContact CG-SD 3.49Å; R154-M179 WeakPolarHBondContact CG-SD 3.22Å; R154-D180 IonicContact CZ-OD1 3.7Å; R154-D180 IonicContact NH2-OD1 3.96Å; R154-D180 PolarHBondContact NH2-OD1 3.01Å; R154-D183 IonicContact CZ-OD2 3.77Å; R154-D183 VanDerWaalsContact CZ-OD2 3.23Å; R154-D183 VanDerWaalsContact NH1-CG 3.33Å; R154-D183 IonicContact NH1-OD1 3.88Å; R154-D183 PolarHBondContact NH1-OD1 3.29Å; R154-D183 VanDerWaalsContact NH1-OD1 3.1Å; R154-D183 IonicContact NH1-OD2 2.87Å; R154-D183 PolarHBondContact NH1-OD2 3.05Å; R154-D183 IonicContact NH2-OD2 3.65Å; R154-D183 PolarHBondContact NH2-OD2 3.2Å; R154-E220 WeakPolarHBondContact CA-OE1 3.44Å; R154-E220 WeakPolarHBondContact CB-OE1 3.32Å; R154-E220 WeakPolarHBondContact CB-OE2 3.34Å; R154-E220 WeakPolarHBondContact CD-OE2 3.46Å; R154-E220 VanDerWaalsContact CG-OE2 3.25Å; R154-E220 WeakPolarHBondContact CG-OE2 3.33Å; R154-E220 IonicContact CZ-OE2 2.65Å; R154-E220 VanDerWaalsContact N-CD 3.33Å; R154-E220 PolarHBondContact N-OE1 2.87Å; R154-E220 PolarHBondContact N-OE2 2.98Å; R154-E220 IonicContact NH1-OE2 3.95Å; R154-E220 PolarHBondContact NH1-OE2 3.37Å
155	H	97.1	Very high	98.1	Very high	37 Å²	37	25.7 Å²	25.7	17%	0.171	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-44.8	-177.6	-176.8	53.3	0	0	0	113.1	C153 E220 P432	C153-H155 VanDerWaalsContact C-N 3.3Å; C153-H155 PolarHBondContact O-N 3.41Å; H155-E220 PolarHBondContact N-OE1 2.7Å; H155-P432 PolarHBondContact CE1-O 3.2Å; H155-P432 VanDerWaalsContact CE1-O 3.27Å; H155-P432 PolarHBondContact NE2-O 3.28Å
156	L	97.1	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-79.1	-43.6	179	-93.2	58.2	0	0	0	111.9	N150 C153 E158 Y159 F160 W232 P432	N150-L156 WeakPolarHBondContact ND2-CD2 3.37Å; C153-L156 PolarHBondContact SG-N 2.92Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-E158 PolarHBondContact O-N 3.18Å; L156-Y159 WeakPolarHBondContact O-CA 3.44Å; L156-Y159 WeakPolarHBondContact O-CB 3.39Å; L156-Y159 PolarHBondContact O-N 3.06Å; L156-F160 HydrophobicContact CB-CD2 4.22Å; L156-F160 HydrophobicContact CG-CD2 4.3Å; L156-F160 HydrophobicContact CG-CE2 4.09Å; L156-F160 WeakPolarHBondContact O-CD2 3.28Å; L156-F160 PolarHBondContact O-N 3.36Å; L156-W232 HydrophobicContact CD1-CH2 4.11Å; L156-W232 HydrophobicContact CD1-CZ2 3.75Å; L156-W232 HydrophobicContact CD2-CH2 3.7Å; L156-W232 HydrophobicContact CD2-CZ2 3.65Å; L156-W232 HydrophobicContact CG-CH2 4.46Å; L156-W232 HydrophobicContact CG-CZ2 4.36Å; L156-P432 HydrophobicContact CD1-CG 4.31Å
157	T	98.4	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.7	-17.9	-175.1	55.8	0	0	0	0	114.5	V120 D121 H151 C153 F162 K163 Y175 M179	V120-T157 HydrophobicContact CG2-CG2 3.73Å; D121-T157 WeakPolarHBondContact OD2-CA 3.47Å; D121-T157 WeakPolarHBondContact OD2-CG2 3.34Å; H151-T157 WeakPolarHBondContact O-CG2 3.11Å; C153-T157 WeakPolarHBondContact O-CB 3.26Å; C153-T157 WeakPolarHBondContact O-CG2 3.15Å; C153-T157 PolarHBondContact O-N 2.85Å; C153-T157 PolarHBondContact O-OG1 2.69Å; T157-F162 HydrophobicContact CG2-CB 3.91Å; T157-F162 HydrophobicContact CG2-CD1 3.7Å; T157-F162 HydrophobicContact CG2-CG 4.25Å; T157-K163 WeakPolarHBondContact O-CB 3.48Å; T157-K163 PolarHBondContact O-N 2.56Å; T157-Y175 WeakPolarHBondContact OG1-CE2 3.49Å; T157-Y175 PolarHBondContact OG1-OH 3.04Å; T157-M179 HydrophobicContact CG2-CE 4.21Å; T157-M179 PolarHBondContact OG1-SD 2.91Å
158	E	96.3	Very high	98	Very high	75 Å²	75	34.6 Å²	34.6	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-84.7	-23.7	165.4	-179.4	162.3	-141.2	0	0	113.5	R154 L156 K163 R435	R154-E158 WeakPolarHBondContact O-CB 3.44Å; R154-E158 PolarHBondContact O-N 3.38Å; R154-E158 VanDerWaalsContact O-N 3.15Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-E158 PolarHBondContact O-N 3.18Å; E158-K163 HydrophobicContact CB-CD 3.92Å; E158-K163 HydrophobicContact CG-CD 3.91Å; E158-K163 IonicContact OE1-NZ 3.27Å; E158-K163 PolarHBondContact OE1-NZ 2.8Å; E158-K163 IonicContact OE2-NZ 3.85Å; E158-R435 IonicContact OE1-CZ 2.7Å; E158-R435 IonicContact OE1-NH1 3.61Å; E158-R435 PolarHBondContact OE1-NH1 2.82Å; E158-R435 IonicContact OE1-NH2 3.71Å; E158-R435 PolarHBondContact OE1-NH2 2.73Å; E158-R435 VanDerWaalsContact OE1-NH2 3.07Å; E158-R435 IonicContact OE2-CZ 2.91Å; E158-R435 IonicContact OE2-NH1 3.33Å; E158-R435 PolarHBondContact OE2-NH1 2.79Å; E158-R435 IonicContact OE2-NH2 2.67Å; E158-R435 PolarHBondContact OE2-NH2 2.81Å
159	Y	94.9	Very high	98	Very high	94 Å²	94	35.7 Å²	35.7	37%	0.369	16%	0.164	S	C	.	.	H	α-helix	trans	-81	-39	175.6	179.6	-96.5	0	0	0	112.3	L156 T387 P432	L156-Y159 WeakPolarHBondContact O-CA 3.44Å; L156-Y159 WeakPolarHBondContact O-CB 3.39Å; L156-Y159 PolarHBondContact O-N 3.06Å; Y159-T387 WeakPolarHBondContact OH-CG2 3.31Å; Y159-P432 HydrophobicContact CD1-CB 4.12Å; Y159-P432 HydrophobicContact CD1-CG 3.46Å; Y159-P432 VanDerWaalsContact CD1-CG 3.46Å; Y159-P432 HydrophobicContact CD2-CB 3.62Å; Y159-P432 HydrophobicContact CD2-CG 3.9Å; Y159-P432 HydrophobicContact CE1-CB 4.4Å; Y159-P432 HydrophobicContact CE1-CG 3.91Å; Y159-P432 HydrophobicContact CE2-CB 3.93Å; Y159-P432 HydrophobicContact CE2-CG 4.3Å; Y159-P432 HydrophobicContact CG-CB 3.72Å; Y159-P432 HydrophobicContact CG-CG 3.45Å; Y159-P432 VanDerWaalsContact CG-CG 3.45Å
160	F	95.4	Very high	98	Very high	29 Å²	29	36.8 Å²	36.8	13%	0.127	17%	0.168	C	C	.	.	S	Bend	trans	-94.1	-135.5	178.7	-67.3	-66	0	0	0	111.4	D121 H151 L156 N428	D121-F160 HydrophobicContact CB-CB 3.88Å; D121-F160 HydrophobicContact CB-CG 4.41Å; D121-F160 VanDerWaalsContact CG-CB 3.42Å; D121-F160 WeakPolarHBondContact OD1-CB 3.38Å; H151-F160 AromaticContact CE1-CD2 3.45Å; H151-F160 VanDerWaalsContact CE1-CD2 3.45Å; H151-F160 WeakPolarHBondContact CE1-CD2 3.43Å; H151-F160 AromaticContact CE1-CE2 3.43Å; H151-F160 VanDerWaalsContact CE1-CE2 3.43Å; H151-F160 WeakPolarHBondContact CE1-CE2 3.44Å; H151-F160 AromaticContact ND1-CD2 3.92Å; L156-F160 HydrophobicContact CB-CD2 4.22Å; L156-F160 HydrophobicContact CG-CD2 4.3Å; L156-F160 HydrophobicContact CG-CE2 4.09Å; L156-F160 WeakPolarHBondContact O-CD2 3.28Å; L156-F160 PolarHBondContact O-N 3.36Å; F160-N428 HydrophobicContact CE1-CB 4.01Å; F160-N428 HydrophobicContact CZ-CB 4.13Å; F160-N428 WeakPolarHBondContact CZ-O 3.3Å
161	T	97.5	Very high	98	Very high	44 Å²	44	37.8 Å²	37.8	27%	0.27	18%	0.175	S	C	.	.	S	Bend	trans	-109.7	-24.5	-160.2	47.5	0	0	0	0	113.9	D121 R122 Y124 K163 Q164 E165	D121-T161 PolarHBondContact OD1-N 3.48Å; D121-T161 VanDerWaalsContact OD1-N 3.09Å; R122-T161 PolarHBondContact N-OG1 2.89Å; Y124-T161 HydrophobicContact CE1-CG2 4.39Å; T161-K163 PolarHBondContact O-N 3.36Å; T161-Q164 PolarHBondContact O-N 2.89Å; T161-Q164 VanDerWaalsContact O-N 3.1Å; T161-E165 WeakPolarHBondContact O-CB 3.5Å; T161-E165 PolarHBondContact O-N 2.81Å
162	F	98.7	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-38.7	-168.8	-178.4	-127.5	0	0	0	114	V120 D121 I127 V130 T157 Q164 E165 C166 Y175 C178 M179 F182	V120-F162 HydrophobicContact CB-CB 4.21Å; V120-F162 HydrophobicContact CB-CD1 4.16Å; V120-F162 HydrophobicContact CB-CD2 4.16Å; V120-F162 HydrophobicContact CB-CG 3.93Å; V120-F162 HydrophobicContact CG1-CD1 4.14Å; V120-F162 HydrophobicContact CG1-CD2 4.05Å; V120-F162 HydrophobicContact CG1-CE1 4.02Å; V120-F162 HydrophobicContact CG1-CE2 3.92Å; V120-F162 HydrophobicContact CG1-CG 4.13Å; V120-F162 HydrophobicContact CG1-CZ 3.89Å; V120-F162 HydrophobicContact CG2-CD1 4.23Å; V120-F162 HydrophobicContact CG2-CG 4.38Å; D121-F162 VanDerWaalsContact OD1-CB 3.22Å; D121-F162 WeakPolarHBondContact OD1-CB 3.33Å; D121-F162 PolarHBondContact OD1-N 2.91Å; I127-F162 HydrophobicContact CB-CE2 4.08Å; I127-F162 HydrophobicContact CD1-CE2 3.99Å; I127-F162 HydrophobicContact CD1-CZ 4.04Å; V130-F162 HydrophobicContact CG2-CZ 4.15Å; T157-F162 HydrophobicContact CG2-CB 3.91Å; T157-F162 HydrophobicContact CG2-CD1 3.7Å; T157-F162 HydrophobicContact CG2-CG 4.25Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 2.97Å; F162-E165 PolarHBondContact O-N 2.7Å; F162-C166 VanDerWaalsContact CE2-SG 3.5Å; F162-C166 WeakPolarHBondContact O-CB 3.44Å; F162-C166 PolarHBondContact O-N 3.44Å; F162-C166 PolarHBondContact O-SG 3.27Å; F162-Y175 HydrophobicContact CD1-CD2 4.31Å; F162-C178 HydrophobicContact CE1-CB 3.85Å; F162-C178 HydrophobicContact CZ-CB 3.98Å; F162-M179 HydrophobicContact CD1-CE 3.86Å; F162-M179 HydrophobicContact CE1-CE 3.69Å; F162-F182 HydrophobicContact CD1-CE2 4.33Å; F162-F182 AromaticContact CE1-CE2 3.77Å; F162-F182 HydrophobicContact CE1-CE2 3.77Å; F162-F182 AromaticContact CE1-CZ 3.84Å; F162-F182 HydrophobicContact CE1-CZ 3.84Å; F162-F182 HydrophobicContact CZ-CZ 4.22Å
163	K	98.7	Very high	98	Very high	37 Å²	37	48.1 Å²	48.1	16%	0.161	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-40.3	174.5	-171.3	172.1	-174.6	178.5	0	112	T157 E158 T161 K167 E172 Y175	T157-K163 WeakPolarHBondContact O-CB 3.48Å; T157-K163 PolarHBondContact O-N 2.56Å; E158-K163 HydrophobicContact CB-CD 3.92Å; E158-K163 HydrophobicContact CG-CD 3.91Å; E158-K163 IonicContact OE1-NZ 3.27Å; E158-K163 PolarHBondContact OE1-NZ 2.8Å; E158-K163 IonicContact OE2-NZ 3.85Å; T161-K163 PolarHBondContact O-N 3.36Å; K163-K167 HydrophobicContact CG-CD 4.32Å; K163-K167 VanDerWaalsContact O-CG 3.29Å; K163-K167 WeakPolarHBondContact O-CG 3.34Å; K163-K167 PolarHBondContact O-N 3.13Å; K163-E172 WeakPolarHBondContact CE-OE1 3.15Å; K163-E172 IonicContact NZ-OE1 3.07Å; K163-Y175 HydrophobicContact CB-CD2 3.71Å; K163-Y175 HydrophobicContact CB-CE2 3.49Å; K163-Y175 VanDerWaalsContact CB-CE2 3.49Å; K163-Y175 HydrophobicContact CB-CG 4.34Å; K163-Y175 HydrophobicContact CD-CD1 4.26Å; K163-Y175 HydrophobicContact CD-CE1 3.79Å; K163-Y175 HydrophobicContact CD-CE2 4.1Å; K163-Y175 HydrophobicContact CG-CD1 4.02Å; K163-Y175 HydrophobicContact CG-CD2 3.81Å; K163-Y175 HydrophobicContact CG-CE1 3.99Å; K163-Y175 HydrophobicContact CG-CE2 3.74Å; K163-Y175 HydrophobicContact CG-CG 3.93Å
164	Q	98.4	Very high	98	Very high	113 Å²	113	47.9 Å²	47.9	53%	0.528	22%	0.216	S	C	.	.	H	α-helix	trans	-70.5	-40.9	176.5	179.3	62.1	6.8	0	0	111.4	T161 F162 C166 K167 I168	T161-Q164 PolarHBondContact O-N 2.89Å; T161-Q164 VanDerWaalsContact O-N 3.1Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 2.97Å; Q164-C166 PolarHBondContact O-N 3.32Å; Q164-K167 PolarHBondContact O-N 3.34Å; Q164-I168 HydrophobicContact CG-CG1 4.42Å; Q164-I168 VanDerWaalsContact O-CG1 3.31Å; Q164-I168 WeakPolarHBondContact O-CG1 3.46Å; Q164-I168 PolarHBondContact O-N 3.01Å
165	E	98.8	Very high	98	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.075	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-47.8	176.7	-163.5	-166	128.7	0	0	111.2	S126 I127 T161 F162 K167 I168 K169	S126-E165 WeakPolarHBondContact CB-OE2 3.3Å; S126-E165 PolarHBondContact N-OE1 3.1Å; S126-E165 PolarHBondContact N-OE2 2.84Å; S126-E165 PolarHBondContact OG-OE2 2.91Å; I127-E165 WeakPolarHBondContact CG2-OE1 3.21Å; I127-E165 PolarHBondContact N-OE1 3.45Å; T161-E165 WeakPolarHBondContact O-CB 3.5Å; T161-E165 PolarHBondContact O-N 2.81Å; F162-E165 PolarHBondContact O-N 2.7Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 2.97Å; E165-I168 PolarHBondContact O-N 3.38Å; E165-K169 HydrophobicContact CG-CD 3.89Å; E165-K169 WeakPolarHBondContact O-CB 3.34Å; E165-K169 PolarHBondContact O-N 2.84Å; E165-K169 IonicContact OE1-NZ 2.84Å; E165-K169 PolarHBondContact OE1-NZ 3.09Å
166	C	98.8	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.9	-44.6	175	-71	0	0	0	0	112.1	F162 Q164 I168 Y170 S171	F162-C166 VanDerWaalsContact CE2-SG 3.5Å; F162-C166 WeakPolarHBondContact O-CB 3.44Å; F162-C166 PolarHBondContact O-N 3.44Å; F162-C166 PolarHBondContact O-SG 3.27Å; Q164-C166 PolarHBondContact O-N 3.32Å; C166-I168 VanDerWaalsContact C-N 3.32Å; C166-I168 PolarHBondContact O-N 3.47Å; C166-Y170 CarbonylContact O-C 3.56Å; C166-Y170 VanDerWaalsContact O-C 3.25Å; C166-Y170 WeakPolarHBondContact O-CA 3.3Å; C166-Y170 PolarHBondContact O-N 3.3Å; C166-S171 PolarHBondContact O-N 3.36Å
167	K	98.6	Very high	98.2	Very high	91 Å²	91	48 Å²	48	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-68.8	-26.1	179.3	-70.3	171.6	72.6	149.3	0	113.6	K163 Q164 E165 E172	K163-K167 HydrophobicContact CG-CD 4.32Å; K163-K167 VanDerWaalsContact O-CG 3.29Å; K163-K167 WeakPolarHBondContact O-CG 3.34Å; K163-K167 PolarHBondContact O-N 3.13Å; Q164-K167 PolarHBondContact O-N 3.34Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 2.97Å; K167-E172 HydrophobicContact CD-CB 4.27Å; K167-E172 HydrophobicContact CD-CG 4.16Å; K167-E172 VanDerWaalsContact CE-OE2 3.3Å; K167-E172 WeakPolarHBondContact CE-OE2 3.26Å; K167-E172 HydrophobicContact CG-CB 4.03Å; K167-E172 HydrophobicContact CG-CG 4.38Å; K167-E172 IonicContact NZ-OE1 3.69Å; K167-E172 PolarHBondContact NZ-OE1 3.02Å; K167-E172 IonicContact NZ-OE2 3.33Å; K167-E172 PolarHBondContact NZ-OE2 3.45Å
168	I	98.4	Very high	98.2	Very high	110 Å²	110	48 Å²	48	56%	0.564	22%	0.224	S	C	*	.	H	α-helix	trans	-85.7	-35.9	176.8	-69	-68.4	0	0	0	112.5	R55 Q164 E165 C166	R55-I168 PolarHBondContact NH1-O 2.9Å; Q164-I168 HydrophobicContact CG-CG1 4.42Å; Q164-I168 VanDerWaalsContact O-CG1 3.31Å; Q164-I168 WeakPolarHBondContact O-CG1 3.46Å; Q164-I168 PolarHBondContact O-N 3.01Å; E165-I168 PolarHBondContact O-N 3.38Å; C166-I168 VanDerWaalsContact C-N 3.32Å; C166-I168 PolarHBondContact O-N 3.47Å
169	K	98.7	Very high	98.3	Very high	23 Å²	23	44.5 Å²	44.5	10%	0.1	21%	0.208	C	C	.	.	H	α-helix	trans	-90	-37.7	-177.4	-66.9	179.7	-177.6	176.2	0	113.2	R28 R55 Y124 I127 E128 E165	R28-K169 PolarHBondContact NH1-O 3.15Å; R28-K169 PolarHBondContact NH2-O 3.48Å; R55-K169 WeakPolarHBondContact CD-O 3.46Å; Y124-K169 PolarHBondContact O-NZ 2.96Å; I127-K169 HydrophobicContact CG2-CB 4.45Å; I127-K169 HydrophobicContact CG2-CD 3.53Å; E128-K169 WeakPolarHBondContact OE1-CD 3.47Å; E128-K169 WeakPolarHBondContact OE1-CE 3.35Å; E128-K169 IonicContact OE1-NZ 3.67Å; E128-K169 PolarHBondContact OE1-NZ 3.09Å; E128-K169 IonicContact OE2-NZ 2.86Å; E128-K169 PolarHBondContact OE2-NZ 2.9Å; E165-K169 HydrophobicContact CG-CD 3.89Å; E165-K169 WeakPolarHBondContact O-CB 3.34Å; E165-K169 PolarHBondContact O-N 2.84Å; E165-K169 IonicContact OE1-NZ 2.84Å; E165-K169 PolarHBondContact OE1-NZ 3.09Å
170	Y	98.7	Very high	98.5	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.094	21%	0.213	C	C	.	.	S	Bend	trans	-133.1	-102.6	-173.3	-63.1	-86.3	0	0	0	111.2	R55 L56 A61 I127 L131 C166 V174	R55-Y170 HydrophobicContact CB-CE1 4.29Å; L56-Y170 HydrophobicContact CB-CE1 4.09Å; L56-Y170 PolarHBondContact N-OH 2.75Å; L56-Y170 WeakPolarHBondContact O-CE1 3.24Å; A61-Y170 HydrophobicContact CB-CD1 4.21Å; A61-Y170 HydrophobicContact CB-CE1 4.09Å; I127-Y170 HydrophobicContact CG1-CD2 3.99Å; I127-Y170 HydrophobicContact CG1-CE2 3.91Å; I127-Y170 HydrophobicContact CG2-CD2 4.16Å; I127-Y170 HydrophobicContact CG2-CE2 3.74Å; L131-Y170 HydrophobicContact CD1-CE2 4.11Å; C166-Y170 CarbonylContact O-C 3.56Å; C166-Y170 VanDerWaalsContact O-C 3.25Å; C166-Y170 WeakPolarHBondContact O-CA 3.3Å; C166-Y170 PolarHBondContact O-N 3.3Å; Y170-V174 HydrophobicContact CG-CG1 4.44Å; Y170-V174 HydrophobicContact CG-CG2 4.45Å
171	S	98.7	Very high	98.7	Very high	24 Å²	24	43 Å²	43	17%	0.168	21%	0.208	C	C	.	.			trans	-161.1	170.9	177.9	68.6	0	0	0	0	110.9	E58 C166 R173 V174 Y175	E58-S171 WeakPolarHBondContact OE2-CB 3.29Å; E58-S171 PolarHBondContact OE2-OG 2.71Å; C166-S171 PolarHBondContact O-N 3.36Å; S171-R173 PolarHBondContact O-N 3.31Å; S171-R173 PolarHBondContact OG-N 2.8Å; S171-V174 PolarHBondContact O-N 3.02Å; S171-Y175 PolarHBondContact O-N 2.81Å
172	E	98.7	Very high	98.8	Very high	73 Å²	73	41 Å²	41	34%	0.341	20%	0.195	S	C	.	.	H	α-helix	trans	-64.9	-28.4	175.6	-159.9	148.1	-148.7	0	0	112.1	K163 K167 V174 Y175 D176	K163-E172 WeakPolarHBondContact CE-OE1 3.15Å; K163-E172 IonicContact NZ-OE1 3.07Å; K167-E172 HydrophobicContact CD-CB 4.27Å; K167-E172 HydrophobicContact CD-CG 4.16Å; K167-E172 VanDerWaalsContact CE-OE2 3.3Å; K167-E172 WeakPolarHBondContact CE-OE2 3.26Å; K167-E172 HydrophobicContact CG-CB 4.03Å; K167-E172 HydrophobicContact CG-CG 4.38Å; K167-E172 IonicContact NZ-OE1 3.69Å; K167-E172 PolarHBondContact NZ-OE1 3.02Å; K167-E172 IonicContact NZ-OE2 3.33Å; K167-E172 PolarHBondContact NZ-OE2 3.45Å; E172-V174 VanDerWaalsContact C-N 3.25Å; E172-V174 PolarHBondContact O-N 3.02Å; E172-Y175 WeakPolarHBondContact O-CA 3.44Å; E172-Y175 VanDerWaalsContact O-CB 3.32Å; E172-Y175 WeakPolarHBondContact O-CB 3.01Å; E172-Y175 PolarHBondContact O-N 3Å; E172-Y175 VanDerWaalsContact O-N 3.07Å; E172-D176 VanDerWaalsContact O-CG 3.23Å; E172-D176 PolarHBondContact O-N 3.49Å
173	R	98.8	Very high	98.8	Very high	151 Å²	151	41.8 Å²	41.8	57%	0.57	20%	0.199	S	C	*	.	H	α-helix	trans	-61.4	-32	173.1	-63.5	178.1	64.3	-152.2	2.1	113.2	E58 S171 A177	E58-R173 IonicContact OE1-CZ 3.23Å; E58-R173 IonicContact OE1-NE 3.1Å; E58-R173 IonicContact OE1-NH1 2.84Å; E58-R173 PolarHBondContact OE1-NH1 3.49Å; S171-R173 PolarHBondContact O-N 3.31Å; S171-R173 PolarHBondContact OG-N 2.8Å; R173-A177 WeakPolarHBondContact O-CB 3.15Å; R173-A177 PolarHBondContact O-N 3.27Å; R173-A177 VanDerWaalsContact O-N 3.1Å
174	V	98.9	Very high	98.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-73.6	-37.5	175.8	173.3	0	0	0	0	110.4	E58 A61 L62 I65 I127 Y170 S171 E172 C178	E58-V174 HydrophobicContact CG-CG2 3.91Å; A61-V174 HydrophobicContact CB-CG2 4.43Å; L62-V174 HydrophobicContact CD2-CG2 4.06Å; L62-V174 HydrophobicContact CG-CG2 4.19Å; I65-V174 HydrophobicContact CD1-CG1 3.78Å; I127-V174 HydrophobicContact CD1-CG1 3.94Å; I127-V174 HydrophobicContact CG1-CG1 4.44Å; Y170-V174 HydrophobicContact CG-CG1 4.44Å; Y170-V174 HydrophobicContact CG-CG2 4.45Å; S171-V174 PolarHBondContact O-N 3.02Å; E172-V174 VanDerWaalsContact C-N 3.25Å; E172-V174 PolarHBondContact O-N 3.02Å; V174-C178 PolarHBondContact O-N 3.18Å; V174-C178 PolarHBondContact O-SG 2.83Å
175	Y	98.9	Very high	98.8	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.035	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-51.4	170.1	166	-94.5	0	0	0	111.4	T157 F162 K163 S171 E172 A177 C178 M179	T157-Y175 WeakPolarHBondContact OG1-CE2 3.49Å; T157-Y175 PolarHBondContact OG1-OH 3.04Å; F162-Y175 HydrophobicContact CD1-CD2 4.31Å; K163-Y175 HydrophobicContact CB-CD2 3.71Å; K163-Y175 HydrophobicContact CB-CE2 3.49Å; K163-Y175 VanDerWaalsContact CB-CE2 3.49Å; K163-Y175 HydrophobicContact CB-CG 4.34Å; K163-Y175 HydrophobicContact CD-CD1 4.26Å; K163-Y175 HydrophobicContact CD-CE1 3.79Å; K163-Y175 HydrophobicContact CD-CE2 4.1Å; K163-Y175 HydrophobicContact CG-CD1 4.02Å; K163-Y175 HydrophobicContact CG-CD2 3.81Å; K163-Y175 HydrophobicContact CG-CE1 3.99Å; K163-Y175 HydrophobicContact CG-CE2 3.74Å; K163-Y175 HydrophobicContact CG-CG 3.93Å; S171-Y175 PolarHBondContact O-N 2.81Å; E172-Y175 WeakPolarHBondContact O-CA 3.44Å; E172-Y175 VanDerWaalsContact O-CB 3.32Å; E172-Y175 WeakPolarHBondContact O-CB 3.01Å; E172-Y175 PolarHBondContact O-N 3Å; E172-Y175 VanDerWaalsContact O-N 3.07Å; Y175-A177 VanDerWaalsContact C-N 3.29Å; Y175-A177 PolarHBondContact O-N 3.23Å; Y175-C178 WeakPolarHBondContact O-CA 3.36Å; Y175-C178 WeakPolarHBondContact O-CB 3.48Å; Y175-C178 PolarHBondContact O-N 2.75Å; Y175-M179 HydrophobicContact CD1-CG 4.29Å; Y175-M179 HydrophobicContact CD2-CE 4.03Å; Y175-M179 HydrophobicContact CD2-CG 4.39Å; Y175-M179 HydrophobicContact CE1-CG 3.85Å; Y175-M179 HydrophobicContact CE2-CE 3.69Å; Y175-M179 HydrophobicContact CE2-CG 3.99Å; Y175-M179 HydrophobicContact CE2-SD 3.82Å; Y175-M179 WeakPolarHBondContact O-CG 3.39Å; Y175-M179 PolarHBondContact O-N 3.34Å
176	D	98.9	Very high	98.8	Very high	77 Å²	77	34 Å²	34	41%	0.412	16%	0.164	S	C	.	.	H	α-helix	trans	-57	-43.9	-179.6	-59.6	-34.6	0	0	0	111.2	E172 C178 M179 D180	E172-D176 VanDerWaalsContact O-CG 3.23Å; E172-D176 PolarHBondContact O-N 3.49Å; D176-C178 PolarHBondContact O-N 3.49Å; D176-M179 WeakPolarHBondContact O-CB 3.36Å; D176-M179 PolarHBondContact O-N 3.32Å; D176-M179 VanDerWaalsContact O-N 3.16Å; D176-D180 PolarHBondContact O-N 3.11Å; D176-D180 VanDerWaalsContact O-N 3.11Å
177	A	98.9	Very high	98.8	Very high	17 Å²	17	34 Å²	34	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-36.3	175.4	0	0	0	0	0	113.4	L62 I65 R173 Y175 M179 A181	L62-A177 HydrophobicContact CD2-CB 3.5Å; I65-A177 VanDerWaalsContact CG2-C 3.49Å; I65-A177 HydrophobicContact CG2-CB 3.99Å; I65-A177 WeakPolarHBondContact CG2-O 3.3Å; R173-A177 WeakPolarHBondContact O-CB 3.15Å; R173-A177 PolarHBondContact O-N 3.27Å; R173-A177 VanDerWaalsContact O-N 3.1Å; Y175-A177 VanDerWaalsContact C-N 3.29Å; Y175-A177 PolarHBondContact O-N 3.23Å; A177-M179 VanDerWaalsContact C-N 3.35Å; A177-A181 WeakPolarHBondContact O-CB 3.4Å; A177-A181 PolarHBondContact O-N 3.42Å
178	C	98.9	Very high	98.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-40.1	172.5	-70.9	0	0	0	0	111.3	I65 F162 V174 Y175 D176 A181 F182	I65-C178 VanDerWaalsContact CD1-SG 3.5Å; F162-C178 HydrophobicContact CE1-CB 3.85Å; F162-C178 HydrophobicContact CZ-CB 3.98Å; V174-C178 PolarHBondContact O-N 3.18Å; V174-C178 PolarHBondContact O-SG 2.83Å; Y175-C178 WeakPolarHBondContact O-CA 3.36Å; Y175-C178 WeakPolarHBondContact O-CB 3.48Å; Y175-C178 PolarHBondContact O-N 2.75Å; D176-C178 PolarHBondContact O-N 3.49Å; C178-A181 CarbonylContact O-C 3.52Å; C178-A181 WeakPolarHBondContact O-CB 3.32Å; C178-A181 PolarHBondContact O-N 2.9Å; C178-F182 HydrophobicContact CB-CE1 4.47Å; C178-F182 HydrophobicContact CB-CZ 4.27Å; C178-F182 WeakPolarHBondContact O-CB 3Å; C178-F182 WeakPolarHBondContact O-CD1 3.32Å; C178-F182 WeakPolarHBondContact O-CG 3.41Å; C178-F182 PolarHBondContact O-N 3.37Å
179	M	98.9	Very high	98.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-64.4	-44.6	179.5	-60.8	-63.7	106.2	0	0	112	R154 T157 F162 Y175 D176 A177 A181 F182 D183	R154-M179 HydrophobicContact CB-SD 4.12Å; R154-M179 HydrophobicContact CG-CB 3.78Å; R154-M179 HydrophobicContact CG-CG 3.59Å; R154-M179 HydrophobicContact CG-SD 3.49Å; R154-M179 WeakPolarHBondContact CG-SD 3.22Å; T157-M179 HydrophobicContact CG2-CE 4.21Å; T157-M179 PolarHBondContact OG1-SD 2.91Å; F162-M179 HydrophobicContact CD1-CE 3.86Å; F162-M179 HydrophobicContact CE1-CE 3.69Å; Y175-M179 HydrophobicContact CD1-CG 4.29Å; Y175-M179 HydrophobicContact CD2-CE 4.03Å; Y175-M179 HydrophobicContact CD2-CG 4.39Å; Y175-M179 HydrophobicContact CE1-CG 3.85Å; Y175-M179 HydrophobicContact CE2-CE 3.69Å; Y175-M179 HydrophobicContact CE2-CG 3.99Å; Y175-M179 HydrophobicContact CE2-SD 3.82Å; Y175-M179 WeakPolarHBondContact O-CG 3.39Å; Y175-M179 PolarHBondContact O-N 3.34Å; D176-M179 WeakPolarHBondContact O-CB 3.36Å; D176-M179 PolarHBondContact O-N 3.32Å; D176-M179 VanDerWaalsContact O-N 3.16Å; A177-M179 VanDerWaalsContact C-N 3.35Å; M179-A181 PolarHBondContact O-N 3Å; M179-F182 HydrophobicContact CE-CD2 3.51Å; M179-F182 HydrophobicContact CE-CE2 3.46Å; M179-F182 VanDerWaalsContact CE-CE2 3.46Å; M179-F182 PolarHBondContact O-N 3.24Å; M179-F182 HydrophobicContact SD-CD2 4.37Å; M179-D183 PolarHBondContact O-N 3.03Å
180	D	98.9	Very high	98.9	Very high	91 Å²	91	23.6 Å²	23.6	49%	0.487	12%	0.115	S	C	.	.	H	α-helix	trans	-70.7	-21.2	176.6	-66	-3.6	0	0	0	112.6	R154 D176 C184	R154-D180 IonicContact CZ-OD1 3.7Å; R154-D180 IonicContact NH2-OD1 3.96Å; R154-D180 PolarHBondContact NH2-OD1 3.01Å; D176-D180 PolarHBondContact O-N 3.11Å; D176-D180 VanDerWaalsContact O-N 3.11Å; D180-C184 PolarHBondContact O-SG 3.33Å
181	A	98.9	Very high	98.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-77.6	-38	169.1	0	0	0	0	0	112.5	I65 A69 W134 A177 C178 M179 D183 C184	I65-A181 HydrophobicContact CG2-CB 3.73Å; A69-A181 HydrophobicContact CB-CB 3.63Å; W134-A181 HydrophobicContact CZ2-CB 4.21Å; A177-A181 WeakPolarHBondContact O-CB 3.4Å; A177-A181 PolarHBondContact O-N 3.42Å; C178-A181 CarbonylContact O-C 3.52Å; C178-A181 WeakPolarHBondContact O-CB 3.32Å; C178-A181 PolarHBondContact O-N 2.9Å; M179-A181 PolarHBondContact O-N 3Å; A181-D183 VanDerWaalsContact C-N 3.34Å; A181-C184 VanDerWaalsContact O-CB 3.31Å; A181-C184 WeakPolarHBondContact O-CB 3.22Å; A181-C184 PolarHBondContact O-N 3.34Å
182	F	98.9	Very high	98.3	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-67	-35.4	177.5	-69.2	-5.7	0	0	0	111.9	V120 V130 W134 R148 E152 F162 C178 M179 C184 L185	V120-F182 HydrophobicContact CG1-CE2 4.27Å; V120-F182 HydrophobicContact CG1-CZ 3.78Å; V120-F182 HydrophobicContact CG2-CE2 4.16Å; V120-F182 HydrophobicContact CG2-CZ 4.45Å; V130-F182 HydrophobicContact CG1-CE1 4.33Å; V130-F182 HydrophobicContact CG2-CE1 4.07Å; V130-F182 HydrophobicContact CG2-CZ 3.86Å; W134-F182 AromaticContact CH2-CD1 3.77Å; W134-F182 HydrophobicContact CH2-CD1 3.77Å; W134-F182 AromaticContact CH2-CE1 3.61Å; W134-F182 HydrophobicContact CH2-CE1 3.61Å; W134-F182 AromaticContact CZ2-CD1 3.84Å; W134-F182 HydrophobicContact CZ2-CD1 3.84Å; W134-F182 AromaticContact CZ2-CE1 3.96Å; W134-F182 HydrophobicContact CZ2-CE1 3.96Å; W134-F182 HydrophobicContact CZ3-CE1 4.34Å; R148-F182 PolarHBondContact NE-O 2.88Å; E152-F182 HydrophobicContact CB-CB 3.97Å; E152-F182 HydrophobicContact CB-CD1 4.4Å; E152-F182 HydrophobicContact CB-CD2 3.76Å; E152-F182 HydrophobicContact CB-CE2 4.31Å; E152-F182 HydrophobicContact CB-CG 3.8Å; E152-F182 HydrophobicContact CG-CB 4.46Å; E152-F182 HydrophobicContact CG-CD1 3.96Å; E152-F182 HydrophobicContact CG-CD2 3.85Å; E152-F182 HydrophobicContact CG-CE1 4.1Å; E152-F182 HydrophobicContact CG-CE2 3.97Å; E152-F182 HydrophobicContact CG-CG 3.83Å; E152-F182 HydrophobicContact CG-CZ 4.1Å; F162-F182 HydrophobicContact CD1-CE2 4.33Å; F162-F182 AromaticContact CE1-CE2 3.77Å; F162-F182 HydrophobicContact CE1-CE2 3.77Å; F162-F182 AromaticContact CE1-CZ 3.84Å; F162-F182 HydrophobicContact CE1-CZ 3.84Å; F162-F182 HydrophobicContact CZ-CZ 4.22Å; C178-F182 HydrophobicContact CB-CE1 4.47Å; C178-F182 HydrophobicContact CB-CZ 4.27Å; C178-F182 WeakPolarHBondContact O-CB 3Å; C178-F182 WeakPolarHBondContact O-CD1 3.32Å; C178-F182 WeakPolarHBondContact O-CG 3.41Å; C178-F182 PolarHBondContact O-N 3.37Å; M179-F182 HydrophobicContact CE-CD2 3.51Å; M179-F182 HydrophobicContact CE-CE2 3.46Å; M179-F182 VanDerWaalsContact CE-CE2 3.46Å; M179-F182 PolarHBondContact O-N 3.24Å; M179-F182 HydrophobicContact SD-CD2 4.37Å; F182-C184 PolarHBondContact O-N 3.02Å; F182-C184 VanDerWaalsContact O-N 3.1Å; F182-L185 HydrophobicContact CB-CD1 4.25Å; F182-L185 HydrophobicContact CD1-CD1 4.05Å; F182-L185 HydrophobicContact CG-CD1 4.39Å; F182-L185 WeakPolarHBondContact O-CB 3.38Å; F182-L185 PolarHBondContact O-N 2.88Å; F182-L185 VanDerWaalsContact O-N 3.09Å
183	D	98.9	Very high	97.9	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.091	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.4	170.1	-70.7	-13.6	0	0	0	113.6	R148 R154 M179 A181 F218 K219 E220	R148-D183 IonicContact CZ-OD1 3.8Å; R148-D183 IonicContact NH1-OD1 3.91Å; R148-D183 PolarHBondContact NH1-OD1 3.09Å; R148-D183 IonicContact NH2-OD1 3.7Å; R148-D183 PolarHBondContact NH2-OD1 2.93Å; R154-D183 IonicContact CZ-OD2 3.77Å; R154-D183 VanDerWaalsContact CZ-OD2 3.23Å; R154-D183 VanDerWaalsContact NH1-CG 3.33Å; R154-D183 IonicContact NH1-OD1 3.88Å; R154-D183 PolarHBondContact NH1-OD1 3.29Å; R154-D183 VanDerWaalsContact NH1-OD1 3.1Å; R154-D183 IonicContact NH1-OD2 2.87Å; R154-D183 PolarHBondContact NH1-OD2 3.05Å; R154-D183 IonicContact NH2-OD2 3.65Å; R154-D183 PolarHBondContact NH2-OD2 3.2Å; M179-D183 PolarHBondContact O-N 3.03Å; A181-D183 VanDerWaalsContact C-N 3.34Å; D183-F218 WeakPolarHBondContact O-CA 3.29Å; D183-F218 WeakPolarHBondContact O-CD1 3.32Å; D183-K219 VanDerWaalsContact OD1-O 3.06Å; D183-E220 PolarHBondContact OD1-N 2.87Å
184	C	98.9	Very high	97.3	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.02	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.7	176.6	-58.9	0	0	0	0	113.8	L72 R73 D180 A181 F182 R217	L72-C184 CarbonylContact C-O 3.53Å; L72-C184 HydrophobicContact CB-CB 3.97Å; R73-C184 HydrophobicContact CB-CB 4.15Å; R73-C184 VanDerWaalsContact CZ-SG 3.57Å; R73-C184 PolarHBondContact NE-SG 3.26Å; R73-C184 PolarHBondContact NH2-SG 3.28Å; D180-C184 PolarHBondContact O-SG 3.33Å; A181-C184 VanDerWaalsContact O-CB 3.31Å; A181-C184 WeakPolarHBondContact O-CB 3.22Å; A181-C184 PolarHBondContact O-N 3.34Å; F182-C184 PolarHBondContact O-N 3.02Å; F182-C184 VanDerWaalsContact O-N 3.1Å; C184-R217 PolarHBondContact O-NE 3.48Å; C184-R217 PolarHBondContact O-NH2 3.44Å
185	L	99	Very high	97.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-62.8	132.9	-176.5	-73.3	163.2	0	0	0	111.6	L72 Y119 W134 L146 R148 E152 F182 R217	L72-L185 HydrophobicContact CD1-CD2 3.68Å; L72-L185 HydrophobicContact CD1-CG 4.26Å; L72-L185 HydrophobicContact CD2-CD2 4.1Å; Y119-L185 HydrophobicContact CE2-CD1 4.28Å; W134-L185 HydrophobicContact CH2-CD1 4.18Å; W134-L185 HydrophobicContact CH2-CD2 4.01Å; W134-L185 HydrophobicContact CH2-CG 4.41Å; W134-L185 HydrophobicContact CZ2-CD2 4.27Å; L146-L185 HydrophobicContact CB-CD2 3.75Å; R148-L185 HydrophobicContact CB-CB 3.68Å; R148-L185 HydrophobicContact CB-CD1 4.23Å; R148-L185 HydrophobicContact CG-CB 4.06Å; R148-L185 HydrophobicContact CG-CD1 4.03Å; E152-L185 HydrophobicContact CB-CD1 3.94Å; E152-L185 HydrophobicContact CG-CD1 3.68Å; F182-L185 HydrophobicContact CB-CD1 4.25Å; F182-L185 HydrophobicContact CD1-CD1 4.05Å; F182-L185 HydrophobicContact CG-CD1 4.39Å; F182-L185 WeakPolarHBondContact O-CB 3.38Å; F182-L185 PolarHBondContact O-N 2.88Å; F182-L185 VanDerWaalsContact O-N 3.09Å; L185-R217 WeakPolarHBondContact O-CD 3.2Å; L185-R217 PolarHBondContact O-NE 2.99Å
186	P	98.9	Very high	97.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.			trans	-52.4	152.3	165.6	-28.7	36.4	0	0	0	113.2	E75 K76 L79 L146 L147 R148	E75-P186 HydrophobicContact CB-CG 4.05Å; K76-P186 WeakPolarHBondContact O-CB 3.44Å; L79-P186 HydrophobicContact CD1-CB 4.13Å; L79-P186 HydrophobicContact CD1-CG 4.13Å; L79-P186 HydrophobicContact CD2-CB 4.08Å; L79-P186 HydrophobicContact CD2-CG 3.78Å; L79-P186 HydrophobicContact CG-CB 3.91Å; L79-P186 HydrophobicContact CG-CG 4.08Å; L146-P186 WeakPolarHBondContact O-CD 3.43Å; L147-P186 CarbonylContact C-O 3.59Å; L147-P186 WeakPolarHBondContact CA-O 3.43Å; L147-P186 HydrophobicContact CD2-CB 3.89Å; R148-P186 PolarHBondContact N-O 2.79Å
187	L	99	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-94.8	-24.7	-178.5	-59.6	-178.6	0	0	0	112.7	N77 R148 L215 R217 M227 I230	N77-L187 PolarHBondContact O-N 2.79Å; R148-L187 HydrophobicContact CB-CD2 4.34Å; L187-L215 HydrophobicContact CD1-CB 4.48Å; L187-L215 HydrophobicContact CD1-CD1 3.83Å; L187-R217 HydrophobicContact CD1-CB 3.82Å; L187-R217 HydrophobicContact CD2-CB 4.19Å; L187-R217 HydrophobicContact CG-CB 3.93Å; L187-M227 HydrophobicContact CD1-CG 4.19Å; L187-M227 HydrophobicContact CD2-CE 4.37Å; L187-M227 HydrophobicContact CD2-CG 4.46Å; L187-I230 HydrophobicContact CB-CD1 4.29Å; L187-I230 HydrophobicContact CB-CG2 4.25Å; L187-I230 HydrophobicContact CD1-CD1 4.2Å; L187-I230 VanDerWaalsContact O-CG2 3.31Å; L187-I230 WeakPolarHBondContact O-CG2 3.11Å
188	A	98.9	Very high	97	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	165.6	-174.9	0	0	0	0	0	112.3	N77 L78 L79 L147 L196 C197 V198 I212	N77-A188 PolarHBondContact O-N 2.93Å; L78-A188 WeakPolarHBondContact CA-O 3.48Å; L78-A188 HydrophobicContact CD1-CB 3.5Å; L79-A188 PolarHBondContact N-O 2.82Å; L147-A188 WeakPolarHBondContact CD2-O 3.26Å; A188-L196 HydrophobicContact CB-CD1 4.02Å; A188-C197 CarbonylContact C-O 3.48Å; A188-C197 WeakPolarHBondContact CA-O 3.32Å; A188-V198 HydrophobicContact CB-CG1 3.77Å; A188-I212 HydrophobicContact CB-CD1 4.27Å; A188-I212 HydrophobicContact CB-CG2 4.01Å
189	A	98.9	Very high	97	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.5	162.9	0	0	0	0	0	111.6	L78 L79 I81 L114 L147 C197	L78-A189 VanDerWaalsContact CD1-C 3.5Å; L79-A189 HydrophobicContact CB-CB 3.86Å; L79-A189 HydrophobicContact CD1-CB 4.47Å; I81-A189 HydrophobicContact CD1-CB 3.6Å; I81-A189 HydrophobicContact CG1-CB 4.19Å; L114-A189 HydrophobicContact CD1-CB 4.2Å; L114-A189 HydrophobicContact CD2-CB 4Å; L147-A189 HydrophobicContact CD2-CB 4.41Å; A189-C197 HydrophobicContact CB-CB 4.18Å; A189-C197 PolarHBondContact N-O 2.81Å; A189-C197 PolarHBondContact O-N 2.85Å
190	L	98.6	Very high	97	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.026	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.3	163.9	179	57.9	0	0	0	107.5	L78 L79 I81 Q193 F195 L209 L274	L78-L190 HydrophobicContact CD1-CB 4.16Å; L78-L190 HydrophobicContact CD2-CB 4.39Å; L78-L190 HydrophobicContact CG-CB 4.26Å; L79-L190 PolarHBondContact O-N 2.82Å; I81-L190 PolarHBondContact N-O 2.93Å; L190-Q193 VanDerWaalsContact CD2-OE1 3.23Å; L190-F195 WeakPolarHBondContact CA-O 3.31Å; L190-L209 HydrophobicContact CD1-CD1 4.12Å; L190-L209 HydrophobicContact CD2-CD1 4.05Å; L190-L274 HydrophobicContact CD1-CD2 3.6Å
191	M	93.3	Very high	97	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.02	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.2	-175.6	-172.3	-79.9	-75.5	0	0	110.4	I81 V85 Q193 Q194 F195 L278 V326	I81-M191 HydrophobicContact CG2-CG 4.47Å; I81-M191 CarbonylContact O-C 3.56Å; I81-M191 WeakPolarHBondContact O-CA 3.45Å; V85-M191 HydrophobicContact CG1-CG 3.49Å; V85-M191 VanDerWaalsContact CG1-CG 3.49Å; V85-M191 HydrophobicContact CG1-SD 3.82Å; M191-Q193 PolarHBondContact O-N 3.22Å; M191-Q194 PolarHBondContact O-N 3.28Å; M191-F195 HydrophobicContact CB-CB 4.26Å; M191-F195 HydrophobicContact CE-CB 3.99Å; M191-F195 HydrophobicContact CE-CD2 3.32Å; M191-F195 HydrophobicContact CE-CE2 3.93Å; M191-F195 HydrophobicContact CE-CG 3.7Å; M191-F195 PolarHBondContact N-O 2.93Å; M191-F195 PolarHBondContact O-N 2.93Å; M191-F195 HydrophobicContact SD-CD2 4Å; M191-L278 HydrophobicContact CE-CD1 3.88Å; M191-V326 HydrophobicContact CE-CG2 3.77Å
192	N	92.7	Very high	97	Very high	61 Å²	61	13.8 Å²	13.8	33%	0.326	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	25	-177.6	-153.2	58.1	0	0	0	115.6	I81 A83 Q194	I81-N192 PolarHBondContact O-N 3.04Å; A83-N192 HydrophobicContact CB-CB 4.07Å; A83-N192 WeakPolarHBondContact CB-OD1 3.44Å; A83-N192 PolarHBondContact N-OD1 3.46Å; N192-Q194 PolarHBondContact ND2-OE1 2.89Å; N192-Q194 PolarHBondContact O-N 3.05Å; N192-Q194 VanDerWaalsContact O-N 3.15Å
193	Q	90.8	Very high	97	Very high	109 Å²	109	13.7 Å²	13.7	51%	0.509	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	23.4	-170.4	-53.5	-63.9	-52.2	0	0	113.9	D80 L190 M191	D80-Q193 PolarHBondContact OD1-NE2 2.95Å; L190-Q193 VanDerWaalsContact CD2-OE1 3.23Å; M191-Q193 PolarHBondContact O-N 3.22Å
194	Q	84.7	Confident	97	Very high	74 Å²	74	15.1 Å²	15.1	35%	0.346	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-30.2	-175.5	-74	178.4	-65	0	0	113.4	M191 N192 L275	M191-Q194 PolarHBondContact O-N 3.28Å; N192-Q194 PolarHBondContact ND2-OE1 2.89Å; N192-Q194 PolarHBondContact O-N 3.05Å; N192-Q194 VanDerWaalsContact O-N 3.15Å; Q194-L275 HydrophobicContact CB-CB 4.24Å; Q194-L275 PolarHBondContact O-N 2.84Å
195	F	94.7	Very high	97	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.031	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.2	-172.1	-59.2	-92.6	0	0	0	110.8	L190 M191 L275 S276 L278 F299 V326	L190-F195 WeakPolarHBondContact CA-O 3.31Å; M191-F195 HydrophobicContact CB-CB 4.26Å; M191-F195 HydrophobicContact CE-CB 3.99Å; M191-F195 HydrophobicContact CE-CD2 3.32Å; M191-F195 HydrophobicContact CE-CE2 3.93Å; M191-F195 HydrophobicContact CE-CG 3.7Å; M191-F195 PolarHBondContact N-O 2.93Å; M191-F195 PolarHBondContact O-N 2.93Å; M191-F195 HydrophobicContact SD-CD2 4Å; F195-L275 HydrophobicContact CE1-CD2 4.31Å; F195-L275 HydrophobicContact CE1-CG 4.44Å; F195-L275 HydrophobicContact CE2-CD2 4.33Å; F195-L275 HydrophobicContact CZ-CD2 3.72Å; F195-L275 HydrophobicContact CZ-CG 4.32Å; F195-S276 WeakPolarHBondContact CA-O 3.49Å; F195-L278 HydrophobicContact CB-CD1 4.29Å; F195-L278 HydrophobicContact CB-CG 4.25Å; F195-L278 HydrophobicContact CD1-CD1 4.18Å; F195-L278 HydrophobicContact CD1-CD2 4.01Å; F195-L278 HydrophobicContact CD1-CG 3.94Å; F195-L278 HydrophobicContact CE1-CD2 4.48Å; F195-L278 HydrophobicContact CG-CD1 4.31Å; F195-L278 HydrophobicContact CG-CG 4.38Å; F195-F299 AromaticContact CE1-CE1 3.84Å; F195-F299 HydrophobicContact CE1-CE1 3.84Å; F195-F299 HydrophobicContact CE1-CZ 4.17Å; F195-F299 HydrophobicContact CZ-CE1 4.4Å; F195-F299 HydrophobicContact CZ-CZ 4.38Å; F195-V326 HydrophobicContact CD1-CG1 4.48Å; F195-V326 HydrophobicContact CE1-CG1 3.66Å; F195-V326 HydrophobicContact CE2-CG1 3.96Å; F195-V326 HydrophobicContact CZ-CB 4.47Å; F195-V326 HydrophobicContact CZ-CG1 3.36Å
196	L	98.6	Very high	97	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.6	160.3	174.9	60.8	0	0	0	108	L78 A188 V198 L202 L209 I212 F268 L274 S276 I277 L278	L78-L196 HydrophobicContact CD1-CD1 4.03Å; A188-L196 HydrophobicContact CB-CD1 4.02Å; L196-V198 HydrophobicContact CD1-CG1 3.97Å; L196-V198 HydrophobicContact CD2-CG1 4.4Å; L196-V198 HydrophobicContact CG-CG1 4.05Å; L196-L202 HydrophobicContact CD2-CD2 4.37Å; L196-L209 HydrophobicContact CD1-CD2 4.02Å; L196-I212 HydrophobicContact CD1-CD1 3.92Å; L196-I212 HydrophobicContact CD2-CD1 4.35Å; L196-F268 HydrophobicContact CD2-CE1 3.59Å; L196-F268 HydrophobicContact CD2-CZ 3.89Å; L196-L274 HydrophobicContact CB-CD1 3.89Å; L196-S276 PolarHBondContact N-O 2.77Å; L196-I277 HydrophobicContact CB-CG1 4.5Å; L196-I277 CarbonylContact O-C 3.59Å; L196-I277 WeakPolarHBondContact O-CA 3.46Å; L196-L278 PolarHBondContact O-N 3.27Å
197	C	98.7	Very high	97	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.1	176	-55.2	0	0	0	0	109.4	L114 L116 L147 A188 A189 L278	L114-C197 HydrophobicContact CD2-CB 3.74Å; L116-C197 HydrophobicContact CD2-CB 3.83Å; L147-C197 WeakPolarHBondContact CD1-O 3.36Å; A188-C197 CarbonylContact C-O 3.48Å; A188-C197 WeakPolarHBondContact CA-O 3.32Å; A189-C197 HydrophobicContact CB-CB 4.18Å; A189-C197 PolarHBondContact N-O 2.81Å; A189-C197 PolarHBondContact O-N 2.85Å; C197-L278 WeakPolarHBondContact CA-O 3.43Å
198	V	98.9	Very high	97	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.136	C	C	.	.			trans	-145.1	175.3	-176.9	-73.4	0	0	0	0	109.7	A188 L196 I230 I277 L278 R279	A188-V198 HydrophobicContact CB-CG1 3.77Å; L196-V198 HydrophobicContact CD1-CG1 3.97Å; L196-V198 HydrophobicContact CD2-CG1 4.4Å; L196-V198 HydrophobicContact CG-CG1 4.05Å; V198-I230 HydrophobicContact CB-CG2 4.21Å; V198-I230 HydrophobicContact CG1-CG2 3.97Å; V198-I277 HydrophobicContact CG2-CG2 4.15Å; V198-L278 PolarHBondContact N-O 2.91Å; V198-L278 VanDerWaalsContact N-O 3.1Å; V198-R279 HydrophobicContact CG2-CB 4.19Å; V198-R279 WeakPolarHBondContact O-CA 3.42Å
199	H	98.9	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-83.6	-63.8	173	-168.6	63.4	0	0	0	112.2	D90 D118 G149 N150 L231 R279 A280 H281	D90-H199 IonicContact OD1-CE1 2.71Å; D90-H199 PolarHBondContact OD1-CE1 2.84Å; D90-H199 IonicContact OD1-ND1 2.76Å; D118-H199 IonicContact OD1-CE1 2.66Å; D118-H199 IonicContact OD1-NE2 3.71Å; D118-H199 PolarHBondContact OD1-NE2 3.44Å; D118-H199 IonicContact OD2-CE1 2.8Å; D118-H199 PolarHBondContact OD2-CE1 2.98Å; D118-H199 IonicContact OD2-NE2 2.78Å; D118-H199 PolarHBondContact OD2-NE2 3.4Å; G149-H199 VanDerWaalsContact CA-CD2 3.41Å; G149-H199 WeakPolarHBondContact CA-CD2 3.08Å; G149-H199 VanDerWaalsContact CA-CG 3.45Å; N150-H199 PolarHBondContact N-CD2 3.35Å; N150-H199 PolarHBondContact OD1-CD2 3.07Å; N150-H199 VanDerWaalsContact OD1-CD2 3.27Å; N150-H199 PolarHBondContact OD1-NE2 3.32Å; H199-L231 HydrophobicContact CB-CD2 4.44Å; H199-R279 WeakPolarHBondContact O-CB 3.45Å; H199-A280 PolarHBondContact O-N 3.48Å; H199-H281 AromaticContact CD2-CG 3.94Å; H199-H281 AromaticContact CD2-ND1 3.78Å; H199-H281 AromaticContact NE2-CG 3.89Å; H199-H281 AromaticContact NE2-ND1 3.51Å
200	G	98.8	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-84.2	-69.6	179.1	0	0	0	0	0	112.4	I230 S233 Y260 R279	G200-I230 WeakPolarHBondContact CA-O 3.47Å; G200-I230 PolarHBondContact N-O 2.87Å; G200-S233 CarbonylContact C-O 3.52Å; G200-S233 WeakPolarHBondContact CA-O 3.46Å; G200-Y260 PolarHBondContact O-OH 3.09Å; G200-R279 PolarHBondContact O-NE 2.79Å; G200-R279 PolarHBondContact O-NH2 3.46Å; G200-R279 VanDerWaalsContact O-NH2 3.16Å
201	G	98.7	Very high	97	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.021	17%	0.168	C	C	.	.			trans	161	-130.8	-174.9	0	0	0	0	0	116.2	I230 S233	G201-I230 PolarHBondContact N-O 2.89Å; G201-S233 VanDerWaalsContact CA-OG 3.22Å; G201-S233 WeakPolarHBondContact CA-OG 3.49Å; G201-S233 PolarHBondContact N-OG 3.21Å
202	L	98.8	Very high	97.2	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.167	C	C	.	.			trans	-97.7	156.9	-171.8	-66.3	178.2	0	0	0	113.1	L196 S233 F248 Y260 V265 F268 I277	L196-L202 HydrophobicContact CD2-CD2 4.37Å; L202-S233 PolarHBondContact N-OG 3.42Å; L202-S233 VanDerWaalsContact N-OG 3.12Å; L202-S233 WeakPolarHBondContact O-CB 3.4Å; L202-S233 PolarHBondContact O-OG 2.8Å; L202-S233 VanDerWaalsContact O-OG 3.07Å; L202-F248 HydrophobicContact CB-CE1 3.86Å; L202-F248 HydrophobicContact CB-CZ 4.07Å; L202-Y260 HydrophobicContact CB-CD1 4.2Å; L202-Y260 HydrophobicContact CB-CG 4.35Å; L202-V265 HydrophobicContact CD1-CB 4.45Å; L202-V265 HydrophobicContact CD1-CG2 3.83Å; L202-F268 HydrophobicContact CD1-CB 4.01Å; L202-F268 HydrophobicContact CD1-CG 4.26Å; L202-F268 HydrophobicContact CD2-CB 4.38Å; L202-F268 HydrophobicContact CD2-CD1 3.77Å; L202-F268 HydrophobicContact CD2-CD2 3.88Å; L202-F268 HydrophobicContact CD2-CE1 3.99Å; L202-F268 HydrophobicContact CD2-CE2 4.09Å; L202-F268 HydrophobicContact CD2-CG 3.72Å; L202-F268 HydrophobicContact CD2-CZ 4.15Å; L202-I277 HydrophobicContact CD1-CD1 3.85Å; L202-I277 HydrophobicContact CD2-CD1 3.76Å; L202-I277 HydrophobicContact CG-CD1 3.79Å
203	S	98.9	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.			trans	-120.8	146.2	172.7	-178.7	0	0	0	0	110	E205 I206 D229 F248	S203-E205 PolarHBondContact O-N 3.31Å; S203-E205 PolarHBondContact OG-N 3.35Å; S203-I206 PolarHBondContact O-N 2.81Å; S203-I206 VanDerWaalsContact O-N 3.12Å; S203-D229 WeakPolarHBondContact CB-OD2 3.47Å; S203-D229 PolarHBondContact OG-OD2 2.79Å; S203-F248 WeakPolarHBondContact O-CZ 3.47Å
204	P	98.6	Very high	97.9	Very high	46 Å²	46	35.8 Å²	35.8	30%	0.299	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.3	164.9	26.7	-34.7	0	0	0	113	F248 Y258	P204-F248 HydrophobicContact CB-CD2 3.8Å; P204-F248 HydrophobicContact CB-CE2 4.13Å; P204-F248 HydrophobicContact CB-CG 4.06Å; P204-F248 HydrophobicContact CG-CG 4.41Å; P204-Y258 HydrophobicContact CG-CD2 3.95Å; P204-Y258 HydrophobicContact CG-CE2 3.68Å
205	E	98.7	Very high	98.6	Very high	110 Å²	110	34 Å²	34	51%	0.514	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6	177	-61.7	-176.8	-117.9	0	0	113.7	S203 G225 P226	S203-E205 PolarHBondContact O-N 3.31Å; S203-E205 PolarHBondContact OG-N 3.35Å; E205-G225 WeakPolarHBondContact OE1-CA 3.38Å; E205-P226 HydrophobicContact CB-CB 4.19Å; E205-P226 HydrophobicContact CB-CG 4.18Å
206	I	98.8	Very high	98.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	19%	0.188	C	C	.	.			trans	-124.7	95	177.7	-60.6	168.5	0	0	0	109.1	S203 D211 I212 P226 I230 F268	S203-I206 PolarHBondContact O-N 2.81Å; S203-I206 VanDerWaalsContact O-N 3.12Å; I206-D211 HydrophobicContact CG1-CB 4.48Å; I206-D211 HydrophobicContact CG2-CB 4.24Å; I206-I212 HydrophobicContact CD1-CG1 4.34Å; I206-I212 HydrophobicContact CG2-CD1 4.27Å; I206-I212 HydrophobicContact CG2-CG1 3.71Å; I206-P226 HydrophobicContact CD1-CB 3.71Å; I206-P226 HydrophobicContact CG1-CB 3.69Å; I206-I230 HydrophobicContact CD1-CD1 3.58Å; I206-I230 HydrophobicContact CD1-CG1 3.55Å; I206-F268 HydrophobicContact CG2-CE2 4.16Å; I206-F268 WeakPolarHBondContact O-CE2 3.41Å
207	N	98.5	Very high	98.8	Very high	92 Å²	92	37.9 Å²	37.9	49%	0.492	19%	0.188	S	C	.	.			trans	-96	-26	176.4	-47	112.8	0	0	0	111.6	D211 F268 N272	N207-D211 PolarHBondContact N-OD2 3.45Å; N207-F268 WeakPolarHBondContact O-CE2 3.43Å; N207-N272 PolarHBondContact O-ND2 3.18Å
208	T	98.8	Very high	98.8	Very high	35 Å²	35	42.3 Å²	42.3	22%	0.215	21%	0.208	C	C	.	.	S	Bend	trans	-125.6	154.8	-178.9	71.9	0	0	0	0	112.9	D210 D211 N272	T208-D210 PolarHBondContact O-N 3.3Å; T208-D210 PolarHBondContact OG1-N 3.11Å; T208-D211 WeakPolarHBondContact CA-OD2 3.42Å; T208-D211 WeakPolarHBondContact CB-OD2 3.45Å; T208-D211 PolarHBondContact N-OD2 3Å; T208-D211 WeakPolarHBondContact O-CB 3.29Å; T208-D211 PolarHBondContact O-N 3.16Å; T208-D211 PolarHBondContact OG1-N 2.74Å; T208-D211 PolarHBondContact OG1-OD2 2.77Å; T208-N272 VanDerWaalsContact CA-OD1 3.28Å; T208-N272 WeakPolarHBondContact CA-OD1 3.47Å
209	L	98.7	Very high	98.8	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-23.2	168.2	-67.4	177.1	0	0	0	113.3	L78 L190 L196 D211 I212 R213 F268 N272 L274	L78-L209 HydrophobicContact CD2-CB 3.92Å; L78-L209 HydrophobicContact CD2-CD2 4.01Å; L78-L209 HydrophobicContact CD2-CG 4.4Å; L190-L209 HydrophobicContact CD1-CD1 4.12Å; L190-L209 HydrophobicContact CD2-CD1 4.05Å; L196-L209 HydrophobicContact CD1-CD2 4.02Å; L209-D211 VanDerWaalsContact C-N 3.33Å; L209-I212 HydrophobicContact CD2-CD1 4.28Å; L209-R213 WeakPolarHBondContact O-CG 3.24Å; L209-R213 PolarHBondContact O-N 3.1Å; L209-F268 HydrophobicContact CD2-CZ 4.33Å; L209-N272 HydrophobicContact CD1-CB 4.48Å; L209-N272 HydrophobicContact CG-CB 4.3Å; L209-N272 PolarHBondContact N-OD1 3.3Å; L209-L274 HydrophobicContact CD1-CD1 4.49Å; L209-L274 HydrophobicContact CD1-CD2 4.43Å; L209-L274 HydrophobicContact CD2-CD1 4.35Å
210	D	98.8	Very high	98.7	Very high	82 Å²	82	48.1 Å²	48.1	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-72.5	-23.4	173.5	-81	-32.1	0	0	0	113	T208 R213 K214	T208-D210 PolarHBondContact O-N 3.3Å; T208-D210 PolarHBondContact OG1-N 3.11Å; D210-R213 WeakPolarHBondContact O-CB 3.25Å; D210-R213 PolarHBondContact O-N 3.47Å; D210-R213 VanDerWaalsContact OD1-CD 3.31Å; D210-R213 WeakPolarHBondContact OD1-CD 3.41Å; D210-R213 IonicContact OD1-CZ 3.68Å; D210-R213 IonicContact OD1-NE 3.89Å; D210-R213 IonicContact OD1-NH1 2.71Å; D210-R213 PolarHBondContact OD1-NH1 3.22Å; D210-K214 WeakPolarHBondContact O-CD 3.41Å; D210-K214 WeakPolarHBondContact O-CE 3.14Å; D210-K214 VanDerWaalsContact O-CG 3.24Å; D210-K214 WeakPolarHBondContact O-CG 3.48Å; D210-K214 PolarHBondContact O-N 3.44Å
211	D	98.9	Very high	98.7	Very high	32 Å²	32	48.3 Å²	48.3	17%	0.171	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-40.4	177	-57.3	-46.5	0	0	0	111.1	I206 N207 T208 L209 R213 K214 L215	I206-D211 HydrophobicContact CG1-CB 4.48Å; I206-D211 HydrophobicContact CG2-CB 4.24Å; N207-D211 PolarHBondContact N-OD2 3.45Å; T208-D211 WeakPolarHBondContact CA-OD2 3.42Å; T208-D211 WeakPolarHBondContact CB-OD2 3.45Å; T208-D211 PolarHBondContact N-OD2 3Å; T208-D211 WeakPolarHBondContact O-CB 3.29Å; T208-D211 PolarHBondContact O-N 3.16Å; T208-D211 PolarHBondContact OG1-N 2.74Å; T208-D211 PolarHBondContact OG1-OD2 2.77Å; L209-D211 VanDerWaalsContact C-N 3.33Å; D211-R213 VanDerWaalsContact C-N 3.26Å; D211-R213 PolarHBondContact O-N 3.13Å; D211-K214 PolarHBondContact O-N 2.67Å; D211-K214 VanDerWaalsContact O-N 3.14Å; D211-K214 IonicContact OD1-NZ 2.59Å; D211-K214 PolarHBondContact OD1-NZ 2.86Å; D211-L215 WeakPolarHBondContact O-CG 3.24Å; D211-L215 PolarHBondContact O-N 3Å
212	I	98.9	Very high	98.7	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-39.4	170.2	-51.1	177.5	0	0	0	111	N77 L78 A188 L196 I206 L209 K214 I230	N77-I212 HydrophobicContact CB-CG2 4.4Å; N77-I212 WeakPolarHBondContact CB-O 3.2Å; N77-I212 PolarHBondContact ND2-O 3.43Å; L78-I212 HydrophobicContact CB-CG2 4.17Å; A188-I212 HydrophobicContact CB-CD1 4.27Å; A188-I212 HydrophobicContact CB-CG2 4.01Å; L196-I212 HydrophobicContact CD1-CD1 3.92Å; L196-I212 HydrophobicContact CD2-CD1 4.35Å; I206-I212 HydrophobicContact CD1-CG1 4.34Å; I206-I212 HydrophobicContact CG2-CD1 4.27Å; I206-I212 HydrophobicContact CG2-CG1 3.71Å; L209-I212 HydrophobicContact CD2-CD1 4.28Å; I212-K214 VanDerWaalsContact C-N 3.32Å; I212-K214 PolarHBondContact O-N 2.83Å; I212-I230 HydrophobicContact CG2-CD1 4.32Å
213	R	98.8	Very high	98.6	Very high	104 Å²	104	51.5 Å²	51.5	39%	0.392	26%	0.258	S	S	.	.	H	α-helix	trans	-70.3	-24	179.3	-64.8	171.7	-172.8	131.6	2.9	113.2	L78 L209 D210 D211	L78-R213 HydrophobicContact CB-CG 4.14Å; L78-R213 HydrophobicContact CD2-CG 4.35Å; L209-R213 WeakPolarHBondContact O-CG 3.24Å; L209-R213 PolarHBondContact O-N 3.1Å; D210-R213 WeakPolarHBondContact O-CB 3.25Å; D210-R213 PolarHBondContact O-N 3.47Å; D210-R213 VanDerWaalsContact OD1-CD 3.31Å; D210-R213 WeakPolarHBondContact OD1-CD 3.41Å; D210-R213 IonicContact OD1-CZ 3.68Å; D210-R213 IonicContact OD1-NE 3.89Å; D210-R213 IonicContact OD1-NH1 2.71Å; D210-R213 PolarHBondContact OD1-NH1 3.22Å; D211-R213 VanDerWaalsContact C-N 3.26Å; D211-R213 PolarHBondContact O-N 3.13Å
214	K	98.7	Very high	98.5	Very high	140 Å²	140	60 Å²	60	61%	0.609	29%	0.292	S	S	*	.	H	α-helix	trans	-81.8	-19.5	178.5	-68	159.3	-157.5	150.7	0	114	D210 D211 I212	D210-K214 WeakPolarHBondContact O-CD 3.41Å; D210-K214 WeakPolarHBondContact O-CE 3.14Å; D210-K214 VanDerWaalsContact O-CG 3.24Å; D210-K214 WeakPolarHBondContact O-CG 3.48Å; D210-K214 PolarHBondContact O-N 3.44Å; D211-K214 PolarHBondContact O-N 2.67Å; D211-K214 VanDerWaalsContact O-N 3.14Å; D211-K214 IonicContact OD1-NZ 2.59Å; D211-K214 PolarHBondContact OD1-NZ 2.86Å; I212-K214 VanDerWaalsContact C-N 3.32Å; I212-K214 PolarHBondContact O-N 2.83Å
215	L	98.7	Very high	98.5	Very high	35 Å²	35	58.2 Å²	58.2	18%	0.183	28%	0.281	C	S	.	.			trans	-62.3	141.5	-176.8	-56.8	-178.4	0	0	0	111.8	N77 L187 D211 P226 I230	N77-L215 PolarHBondContact ND2-O 2.83Å; L187-L215 HydrophobicContact CD1-CB 4.48Å; L187-L215 HydrophobicContact CD1-CD1 3.83Å; D211-L215 WeakPolarHBondContact O-CG 3.24Å; D211-L215 PolarHBondContact O-N 3Å; L215-P226 HydrophobicContact CD1-CB 4.33Å; L215-P226 HydrophobicContact CD2-CB 4.01Å; L215-P226 HydrophobicContact CD2-CG 3.69Å; L215-I230 HydrophobicContact CD1-CD1 3.68Å
216	D	98.8	Very high	98.5	Very high	87 Å²	87	54.1 Å²	54.1	47%	0.465	26%	0.264	S	S	.	.			trans	-83.5	122.8	155.1	163	43.6	0	0	0	108.3	F218 K219	D216-F218 PolarHBondContact OD1-N 3.47Å; D216-K219 WeakPolarHBondContact O-CE 3.35Å; D216-K219 PolarHBondContact O-NZ 3.09Å; D216-K219 IonicContact OD2-NZ 2.74Å; D216-K219 PolarHBondContact OD2-NZ 2.86Å
217	R	98.8	Very high	98.5	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	26%	0.264	C	S	.	.			trans	-104.8	-8.4	180	77.3	176.4	-163.5	-93.1	3.7	114.6	L72 E75 N77 C184 L185 L187 K219 M227	L72-R217 PolarHBondContact O-NH2 3.03Å; E75-R217 VanDerWaalsContact O-CZ 3.29Å; E75-R217 PolarHBondContact O-NH1 2.84Å; E75-R217 PolarHBondContact O-NH2 2.9Å; N77-R217 WeakPolarHBondContact OD1-CD 3.38Å; N77-R217 PolarHBondContact OD1-NH1 2.87Å; C184-R217 PolarHBondContact O-NE 3.48Å; C184-R217 PolarHBondContact O-NH2 3.44Å; L185-R217 WeakPolarHBondContact O-CD 3.2Å; L185-R217 PolarHBondContact O-NE 2.99Å; L187-R217 HydrophobicContact CD1-CB 3.82Å; L187-R217 HydrophobicContact CD2-CB 4.19Å; L187-R217 HydrophobicContact CG-CB 3.93Å; R217-K219 PolarHBondContact O-N 3.02Å; R217-M227 HydrophobicContact CB-CE 4.5Å; R217-M227 WeakPolarHBondContact O-CE 3.35Å
218	F	98.8	Very high	98.5	Very high	92 Å²	92	49.8 Å²	49.8	40%	0.404	24%	0.241	S	C	.	.	S	Bend	trans	-83.7	54.5	-167	-63.8	-69.1	0	0	0	112.6	R73 D183 D216	R73-F218 HydrophobicContact CB-CE1 4.46Å; R73-F218 HydrophobicContact CG-CE1 3.95Å; R73-F218 HydrophobicContact CG-CZ 4.37Å; D183-F218 WeakPolarHBondContact O-CA 3.29Å; D183-F218 WeakPolarHBondContact O-CD1 3.32Å; D216-F218 PolarHBondContact OD1-N 3.47Å
219	K	98.7	Very high	98.5	Very high	77 Å²	77	48.1 Å²	48.1	34%	0.335	23%	0.231	S	C	.	.	S	Bend	trans	-159.7	166.1	-175.4	51.8	165.7	172.7	-81.5	0	111.6	R148 D183 D216 R217 M227	R148-K219 PolarHBondContact NH1-O 2.71Å; D183-K219 VanDerWaalsContact OD1-O 3.06Å; D216-K219 WeakPolarHBondContact O-CE 3.35Å; D216-K219 PolarHBondContact O-NZ 3.09Å; D216-K219 IonicContact OD2-NZ 2.74Å; D216-K219 PolarHBondContact OD2-NZ 2.86Å; R217-K219 PolarHBondContact O-N 3.02Å; K219-M227 HydrophobicContact CG-SD 4.29Å; K219-M227 WeakPolarHBondContact O-CE 3.44Å
220	E	98.6	Very high	98.5	Very high	46 Å²	46	47.5 Å²	47.5	22%	0.215	23%	0.227	C	C	.	.	S	Bend	trans	-53.6	137.4	162.9	-172.3	69.3	-173.3	0	0	110.8	C153 R154 H155 D183	C153-E220 WeakPolarHBondContact CB-OE1 3.43Å; R154-E220 WeakPolarHBondContact CA-OE1 3.44Å; R154-E220 WeakPolarHBondContact CB-OE1 3.32Å; R154-E220 WeakPolarHBondContact CB-OE2 3.34Å; R154-E220 WeakPolarHBondContact CD-OE2 3.46Å; R154-E220 VanDerWaalsContact CG-OE2 3.25Å; R154-E220 WeakPolarHBondContact CG-OE2 3.33Å; R154-E220 IonicContact CZ-OE2 2.65Å; R154-E220 VanDerWaalsContact N-CD 3.33Å; R154-E220 PolarHBondContact N-OE1 2.87Å; R154-E220 PolarHBondContact N-OE2 2.98Å; R154-E220 IonicContact NH1-OE2 3.95Å; R154-E220 PolarHBondContact NH1-OE2 3.37Å; H155-E220 PolarHBondContact N-OE1 2.7Å; D183-E220 PolarHBondContact OD1-N 2.87Å
221	P	98.6	Very high	98.5	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.026	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-59.3	136.4	179.5	-25.3	35.7	0	0	0	113.1	C153 M227 L231 R434	C153-P221 HydrophobicContact CB-CG 3.85Å; P221-M227 HydrophobicContact CG-CE 4.32Å; P221-L231 HydrophobicContact CB-CD1 4.12Å; P221-L231 HydrophobicContact CG-CD1 3.93Å; P221-R434 PolarHBondContact O-NH1 3.48Å; P221-R434 PolarHBondContact O-NH2 2.97Å
222	P	97.7	Very high	98.5	Very high	39 Å²	39	42.5 Å²	42.5	25%	0.253	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-66.8	166.3	175.1	30.7	-35.6	0	0	0	111.2	Y224 M227 C228 R434	P222-Y224 VanDerWaalsContact C-N 3.26Å; P222-Y224 WeakPolarHBondContact CB-O 3.3Å; P222-Y224 VanDerWaalsContact CG-O 3.31Å; P222-Y224 WeakPolarHBondContact CG-O 3.37Å; P222-Y224 PolarHBondContact O-N 3.31Å; P222-M227 HydrophobicContact CG-CB 4.09Å; P222-C228 HydrophobicContact CG-CB 4.43Å; P222-R434 PolarHBondContact O-NH2 2.9Å
223	A	95.9	Very high	98.5	Very high	34 Å²	34	42.4 Å²	42.4	28%	0.281	20%	0.2	S	C	.	.	S	Bend	trans	-76.6	-13.9	177.8	0	0	0	0	0	113.6
224	Y	97.7	Very high	98.5	Very high	180 Å²	180	37.6 Å²	37.6	71%	0.706	18%	0.182	S	C	*	.	S	Bend	trans	-157.9	171.6	-175.7	58.1	-95.8	0	0	0	110.1	P222	P222-Y224 VanDerWaalsContact C-N 3.26Å; P222-Y224 WeakPolarHBondContact CB-O 3.3Å; P222-Y224 VanDerWaalsContact CG-O 3.31Å; P222-Y224 WeakPolarHBondContact CG-O 3.37Å; P222-Y224 PolarHBondContact O-N 3.31Å
225	G	98.4	Very high	98.5	Very high	7 Å²	7	31.2 Å²	31.2	7%	0.072	15%	0.154	C	C	.	.	S	Bend	trans	82.4	-178.5	177.4	0	0	0	0	0	113.7	E205 M227 C228 D229	E205-G225 WeakPolarHBondContact OE1-CA 3.38Å; G225-M227 VanDerWaalsContact C-N 3.32Å; G225-M227 PolarHBondContact O-N 3Å; G225-M227 VanDerWaalsContact O-N 3.09Å; G225-C228 WeakPolarHBondContact O-CA 3.31Å; G225-C228 VanDerWaalsContact O-CB 3.24Å; G225-C228 WeakPolarHBondContact O-CB 3.38Å; G225-C228 PolarHBondContact O-N 3.16Å; G225-D229 PolarHBondContact O-N 3.14Å
226	P	98.8	Very high	98.4	Very high	24 Å²	24	30.4 Å²	30.4	16%	0.156	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-33.3	-157.8	18.8	-33.1	0	0	0	115	E205 I206 L215 D229 I230	E205-P226 HydrophobicContact CB-CB 4.19Å; E205-P226 HydrophobicContact CB-CG 4.18Å; I206-P226 HydrophobicContact CD1-CB 3.71Å; I206-P226 HydrophobicContact CG1-CB 3.69Å; L215-P226 HydrophobicContact CD1-CB 4.33Å; L215-P226 HydrophobicContact CD2-CB 4.01Å; L215-P226 HydrophobicContact CD2-CG 3.69Å; P226-D229 PolarHBondContact O-N 3.15Å; P226-I230 WeakPolarHBondContact O-CD1 3.37Å; P226-I230 VanDerWaalsContact O-CG1 3.28Å; P226-I230 WeakPolarHBondContact O-CG1 3.21Å; P226-I230 PolarHBondContact O-N 3.13Å
227	M	98.8	Very high	98.2	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.039	17%	0.166	C	C	.	.	H	α-helix	trans	-74.7	-26.7	175.2	-177.1	-179.4	175.8	0	0	113.1	L187 R217 K219 P221 P222 G225 L231	L187-M227 HydrophobicContact CD1-CG 4.19Å; L187-M227 HydrophobicContact CD2-CE 4.37Å; L187-M227 HydrophobicContact CD2-CG 4.46Å; R217-M227 HydrophobicContact CB-CE 4.5Å; R217-M227 WeakPolarHBondContact O-CE 3.35Å; K219-M227 HydrophobicContact CG-SD 4.29Å; K219-M227 WeakPolarHBondContact O-CE 3.44Å; P221-M227 HydrophobicContact CG-CE 4.32Å; P222-M227 HydrophobicContact CG-CB 4.09Å; G225-M227 VanDerWaalsContact C-N 3.32Å; G225-M227 PolarHBondContact O-N 3Å; G225-M227 VanDerWaalsContact O-N 3.09Å; M227-L231 WeakPolarHBondContact O-CD1 3.18Å; M227-L231 WeakPolarHBondContact O-CG 3.4Å
228	C	98.7	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71	-47.4	168.6	-169.5	0	0	0	0	109.2	P222 G225 I230 L231 W232	P222-C228 HydrophobicContact CG-CB 4.43Å; G225-C228 WeakPolarHBondContact O-CA 3.31Å; G225-C228 VanDerWaalsContact O-CB 3.24Å; G225-C228 WeakPolarHBondContact O-CB 3.38Å; G225-C228 PolarHBondContact O-N 3.16Å; C228-I230 PolarHBondContact O-N 3.07Å; C228-L231 CarbonylContact O-C 3.14Å; C228-L231 WeakPolarHBondContact O-CA 3.31Å; C228-L231 WeakPolarHBondContact O-CB 3.38Å; C228-L231 PolarHBondContact O-N 3.41Å; C228-W232 WeakPolarHBondContact O-CB 3.49Å; C228-W232 PolarHBondContact O-N 2.66Å; C228-W232 VanDerWaalsContact SG-CD1 3.57Å
229	D	98.9	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-37.9	-172.4	-59.2	-28.3	0	0	0	114.1	S203 G225 P226 L231 W232 S233 S257	S203-D229 WeakPolarHBondContact CB-OD2 3.47Å; S203-D229 PolarHBondContact OG-OD2 2.79Å; G225-D229 PolarHBondContact O-N 3.14Å; P226-D229 PolarHBondContact O-N 3.15Å; D229-L231 PolarHBondContact O-N 3.31Å; D229-L231 VanDerWaalsContact O-N 3.12Å; D229-W232 PolarHBondContact O-N 3.24Å; D229-S233 WeakPolarHBondContact O-CB 3.37Å; D229-S233 PolarHBondContact O-N 3.42Å; D229-S233 PolarHBondContact O-OG 2.93Å; D229-S257 WeakPolarHBondContact CA-OG 3.25Å; D229-S257 WeakPolarHBondContact OD1-CA 3.21Å; D229-S257 VanDerWaalsContact OD1-CB 3.27Å; D229-S257 WeakPolarHBondContact OD1-CB 3.35Å; D229-S257 PolarHBondContact OD1-OG 2.95Å
230	I	98.9	Very high	97.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-55.5	-29.6	171.4	-69.7	162.3	0	0	0	111.6	L187 V198 G200 G201 I206 I212 L215 P226 C228	L187-I230 HydrophobicContact CB-CD1 4.29Å; L187-I230 HydrophobicContact CB-CG2 4.25Å; L187-I230 HydrophobicContact CD1-CD1 4.2Å; L187-I230 VanDerWaalsContact O-CG2 3.31Å; L187-I230 WeakPolarHBondContact O-CG2 3.11Å; V198-I230 HydrophobicContact CB-CG2 4.21Å; V198-I230 HydrophobicContact CG1-CG2 3.97Å; G200-I230 WeakPolarHBondContact CA-O 3.47Å; G200-I230 PolarHBondContact N-O 2.87Å; G201-I230 PolarHBondContact N-O 2.89Å; I206-I230 HydrophobicContact CD1-CD1 3.58Å; I206-I230 HydrophobicContact CD1-CG1 3.55Å; I212-I230 HydrophobicContact CG2-CD1 4.32Å; L215-I230 HydrophobicContact CD1-CD1 3.68Å; P226-I230 WeakPolarHBondContact O-CD1 3.37Å; P226-I230 VanDerWaalsContact O-CG1 3.28Å; P226-I230 WeakPolarHBondContact O-CG1 3.21Å; P226-I230 PolarHBondContact O-N 3.13Å; C228-I230 PolarHBondContact O-N 3.07Å
231	L	98.8	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-99.9	-25.6	-174.1	-54.8	178.3	0	0	0	113.9	R148 N150 H199 P221 M227 C228 D229	R148-L231 HydrophobicContact CB-CD2 4.22Å; R148-L231 WeakPolarHBondContact O-CD2 3.48Å; N150-L231 HydrophobicContact CB-CB 4.21Å; H199-L231 HydrophobicContact CB-CD2 4.44Å; P221-L231 HydrophobicContact CB-CD1 4.12Å; P221-L231 HydrophobicContact CG-CD1 3.93Å; M227-L231 WeakPolarHBondContact O-CD1 3.18Å; M227-L231 WeakPolarHBondContact O-CG 3.4Å; C228-L231 CarbonylContact O-C 3.14Å; C228-L231 WeakPolarHBondContact O-CA 3.31Å; C228-L231 WeakPolarHBondContact O-CB 3.38Å; C228-L231 PolarHBondContact O-N 3.41Å; D229-L231 PolarHBondContact O-N 3.31Å; D229-L231 VanDerWaalsContact O-N 3.12Å
232	W	98.8	Very high	97.2	Very high	9 Å²	9	34 Å²	34	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-125.3	-6.7	-167.9	-75.9	99.8	0	0	0	115.7	N150 L156 C228 D229 R254 H281 M431	N150-W232 HydrophobicContact CB-CD2 3.92Å; N150-W232 HydrophobicContact CB-CE3 4.48Å; N150-W232 HydrophobicContact CB-CG 4.3Å; N150-W232 HydrophobicContact CB-CH2 4.46Å; N150-W232 HydrophobicContact CB-CZ2 3.85Å; L156-W232 HydrophobicContact CD1-CH2 4.11Å; L156-W232 HydrophobicContact CD1-CZ2 3.75Å; L156-W232 HydrophobicContact CD2-CH2 3.7Å; L156-W232 HydrophobicContact CD2-CZ2 3.65Å; L156-W232 HydrophobicContact CG-CH2 4.46Å; L156-W232 HydrophobicContact CG-CZ2 4.36Å; C228-W232 WeakPolarHBondContact O-CB 3.49Å; C228-W232 PolarHBondContact O-N 2.66Å; C228-W232 VanDerWaalsContact SG-CD1 3.57Å; D229-W232 PolarHBondContact O-N 3.24Å; W232-R254 HydrophobicContact CE3-CB 3.9Å; W232-R254 HydrophobicContact CE3-CG 4.09Å; W232-R254 HydrophobicContact CZ3-CB 4.27Å; W232-H281 AromaticContact CE3-CE1 3.97Å; W232-M431 HydrophobicContact CH2-CB 3.77Å; W232-M431 HydrophobicContact CH2-CG 4.35Å; W232-M431 HydrophobicContact CZ2-CB 3.99Å; W232-M431 HydrophobicContact CZ2-CG 4.14Å; W232-M431 HydrophobicContact CZ3-CB 4.18Å
233	S	98.8	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.			trans	-76.9	146.3	178.7	61.7	0	0	0	0	111.7	G200 G201 L202 D229 Y258 Y260 R279	G200-S233 CarbonylContact C-O 3.52Å; G200-S233 WeakPolarHBondContact CA-O 3.46Å; G201-S233 VanDerWaalsContact CA-OG 3.22Å; G201-S233 WeakPolarHBondContact CA-OG 3.49Å; G201-S233 PolarHBondContact N-OG 3.21Å; L202-S233 PolarHBondContact N-OG 3.42Å; L202-S233 VanDerWaalsContact N-OG 3.12Å; L202-S233 WeakPolarHBondContact O-CB 3.4Å; L202-S233 PolarHBondContact O-OG 2.8Å; L202-S233 VanDerWaalsContact O-OG 3.07Å; D229-S233 WeakPolarHBondContact O-CB 3.37Å; D229-S233 PolarHBondContact O-N 3.42Å; D229-S233 PolarHBondContact O-OG 2.93Å; S233-Y258 WeakPolarHBondContact CA-O 3.33Å; S233-Y258 WeakPolarHBondContact CB-O 3.4Å; S233-Y260 WeakPolarHBondContact OG-CE1 3.47Å; S233-R279 PolarHBondContact O-NH2 3.32Å
234	D	98.8	Very high	96.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156.6	179.2	-69.9	-55.5	0	0	0	110.6	N251 R254 Y258 F259 Y260 R279 H281	D234-N251 PolarHBondContact OD2-ND2 3.5Å; D234-R254 IonicContact OD1-CZ 2.69Å; D234-R254 IonicContact OD1-NE 3.45Å; D234-R254 IonicContact OD1-NH2 2.92Å; D234-R254 PolarHBondContact OD1-NH2 2.79Å; D234-R254 VanDerWaalsContact OD2-CG 3.31Å; D234-R254 WeakPolarHBondContact OD2-CG 3.37Å; D234-R254 IonicContact OD2-CZ 3.56Å; D234-R254 IonicContact OD2-NE 2.73Å; D234-R254 PolarHBondContact OD2-NE 3.11Å; D234-R254 IonicContact OD2-NH2 2.72Å; D234-R254 PolarHBondContact OD2-NH2 2.99Å; D234-Y258 PolarHBondContact N-O 3.34Å; D234-F259 HydrophobicContact CB-CD1 3.8Å; D234-F259 HydrophobicContact CB-CE1 3.98Å; D234-F259 CarbonylContact O-C 3.53Å; D234-F259 WeakPolarHBondContact O-CA 3.37Å; D234-Y260 VanDerWaalsContact C-CZ 3.49Å; D234-Y260 WeakPolarHBondContact O-CD1 3.41Å; D234-Y260 VanDerWaalsContact O-CE1 3.32Å; D234-Y260 WeakPolarHBondContact O-CE1 3.37Å; D234-Y260 PolarHBondContact O-N 3.08Å; D234-R279 IonicContact OD1-CZ 3.18Å; D234-R279 IonicContact OD1-NH1 3.68Å; D234-R279 IonicContact OD1-NH2 2.8Å; D234-R279 PolarHBondContact OD1-NH2 3.49Å; D234-H281 IonicContact OD1-CD2 2.72Å; D234-H281 PolarHBondContact OD1-CD2 2.97Å
235	P	98.5	Very high	95.3	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.032	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	155.1	159.6	28.7	-32.5	0	0	0	110.5	F239 F259 Y260 E282 Y291 L302	P235-F239 HydrophobicContact CB-CB 4.01Å; P235-F239 HydrophobicContact CB-CD2 3.61Å; P235-F239 HydrophobicContact CB-CE2 4.22Å; P235-F239 HydrophobicContact CB-CG 3.94Å; P235-F259 WeakPolarHBondContact O-CD1 3.45Å; P235-Y260 WeakPolarHBondContact CA-O 3.47Å; P235-Y260 HydrophobicContact CB-CD2 4.42Å; P235-Y260 HydrophobicContact CB-CE2 3.95Å; P235-E282 WeakPolarHBondContact CD-OE2 3.43Å; P235-E282 WeakPolarHBondContact CG-OE2 3.38Å; P235-Y291 HydrophobicContact CB-CD1 4.39Å; P235-Y291 HydrophobicContact CB-CE1 3.84Å; P235-Y291 HydrophobicContact CG-CD1 4.48Å; P235-Y291 HydrophobicContact CG-CE1 3.52Å; P235-L302 HydrophobicContact CB-CD2 3.63Å; P235-L302 HydrophobicContact CG-CD2 3.8Å
236	L	97.5	Very high	95.2	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	23%	0.225	C	C	.	.			trans	-56.8	152.2	165.9	-78.5	169.3	0	0	0	112.1	D238 F239 E242 F259 Y260	L236-D238 VanDerWaalsContact C-N 3.28Å; L236-D238 WeakPolarHBondContact CB-OD1 3.4Å; L236-D238 PolarHBondContact O-N 3.03Å; L236-F239 HydrophobicContact CB-CB 4.29Å; L236-F239 WeakPolarHBondContact O-CB 3.32Å; L236-F239 PolarHBondContact O-N 3.39Å; L236-F239 VanDerWaalsContact O-N 3.09Å; L236-E242 HydrophobicContact CD1-CG 3.55Å; L236-F259 HydrophobicContact CD2-CB 3.51Å; L236-F259 HydrophobicContact CD2-CD2 4.12Å; L236-F259 HydrophobicContact CD2-CG 3.95Å; L236-F259 HydrophobicContact CG-CB 3.89Å; L236-Y260 PolarHBondContact N-O 2.87Å; L236-Y260 VanDerWaalsContact N-O 3.08Å
237	E	93	Very high	95.1	Very high	172 Å²	172	47.3 Å²	47.3	80%	0.804	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-39.4	177.1	-173	163.8	-151.8	0	0	111.2
238	D	94.9	Very high	95.1	Very high	68 Å²	68	49.4 Å²	49.4	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	15.9	174.1	65.4	-36.7	0	0	0	114.1	L236 G240 N241 E242	L236-D238 VanDerWaalsContact C-N 3.28Å; L236-D238 WeakPolarHBondContact CB-OD1 3.4Å; L236-D238 PolarHBondContact O-N 3.03Å; D238-G240 PolarHBondContact O-N 3.48Å; D238-N241 WeakPolarHBondContact O-CA 3.5Å; D238-N241 WeakPolarHBondContact O-CB 3.17Å; D238-N241 PolarHBondContact O-N 2.95Å; D238-E242 WeakPolarHBondContact OD2-CA 3.48Å
239	F	96.8	Very high	95	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.035	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	122.4	-173	-179.8	-80.2	0	0	0	113.7	P235 L236 E242 Y260 S261 Y262 V265 Y291 L302	P235-F239 HydrophobicContact CB-CB 4.01Å; P235-F239 HydrophobicContact CB-CD2 3.61Å; P235-F239 HydrophobicContact CB-CE2 4.22Å; P235-F239 HydrophobicContact CB-CG 3.94Å; L236-F239 HydrophobicContact CB-CB 4.29Å; L236-F239 WeakPolarHBondContact O-CB 3.32Å; L236-F239 PolarHBondContact O-N 3.39Å; L236-F239 VanDerWaalsContact O-N 3.09Å; F239-E242 WeakPolarHBondContact CA-OE1 3.11Å; F239-Y260 WeakPolarHBondContact CD2-O 3.46Å; F239-Y260 HydrophobicContact CE2-CD2 4.16Å; F239-Y260 HydrophobicContact CE2-CE2 4.46Å; F239-S261 VanDerWaalsContact CE2-C 3.49Å; F239-Y262 AromaticContact CE1-CD2 3.93Å; F239-Y262 HydrophobicContact CE1-CD2 3.93Å; F239-Y262 HydrophobicContact CE1-CG 4.43Å; F239-Y262 VanDerWaalsContact CE2-N 3.32Å; F239-Y262 HydrophobicContact CZ-CD2 4.27Å; F239-V265 HydrophobicContact CE2-CB 4.31Å; F239-V265 HydrophobicContact CE2-CG2 3.69Å; F239-V265 HydrophobicContact CZ-CB 4.06Å; F239-V265 HydrophobicContact CZ-CG1 4.45Å; F239-V265 HydrophobicContact CZ-CG2 3.83Å; F239-Y291 HydrophobicContact CB-CD1 4.18Å; F239-Y291 AromaticContact CD1-CD1 3.6Å; F239-Y291 HydrophobicContact CD1-CD1 3.6Å; F239-Y291 HydrophobicContact CD1-CG 4.09Å; F239-Y291 HydrophobicContact CE1-CD1 4.18Å; F239-Y291 HydrophobicContact CE1-CG 4.25Å; F239-Y291 HydrophobicContact CG-CD1 4.04Å; F239-L302 HydrophobicContact CE1-CB 4.27Å; F239-L302 HydrophobicContact CE2-CD2 4.34Å; F239-L302 HydrophobicContact CZ-CB 4.09Å; F239-L302 HydrophobicContact CZ-CD2 4.2Å
240	G	95.2	Very high	95	Very high	1 Å²	1	56 Å²	56	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-8.2	-173.1	0	0	0	0	0	115.1	D238 E242 R292	D238-G240 PolarHBondContact O-N 3.48Å; G240-E242 WeakPolarHBondContact CA-OE2 3.37Å; G240-E242 PolarHBondContact N-OE1 3.32Å; G240-E242 PolarHBondContact N-OE2 3.04Å; G240-R292 WeakPolarHBondContact O-CD 3.41Å; G240-R292 PolarHBondContact O-NH1 3.17Å
241	N	95.1	Very high	94.9	Very high	103 Å²	103	55.9 Å²	55.9	55%	0.551	27%	0.272	S	S	*	.	S	Bend	trans	-123.8	21.2	177.4	-56.4	-65.6	0	0	0	112.4	D238 K243	D238-N241 WeakPolarHBondContact O-CA 3.5Å; D238-N241 WeakPolarHBondContact O-CB 3.17Å; D238-N241 PolarHBondContact O-N 2.95Å; N241-K243 PolarHBondContact O-N 3.07Å
242	E	91.8	Very high	94.8	Very high	33 Å²	33	60.1 Å²	60.1	15%	0.154	30%	0.298	C	S	.	.			trans	-60.4	130.1	-166.9	-61.4	86.8	166	0	0	113.7	L236 D238 F239 G240 Y262	L236-E242 HydrophobicContact CD1-CG 3.55Å; D238-E242 WeakPolarHBondContact OD2-CA 3.48Å; F239-E242 WeakPolarHBondContact CA-OE1 3.11Å; G240-E242 WeakPolarHBondContact CA-OE2 3.37Å; G240-E242 PolarHBondContact N-OE1 3.32Å; G240-E242 PolarHBondContact N-OE2 3.04Å; E242-Y262 VanDerWaalsContact OE1-CB 3.3Å; E242-Y262 WeakPolarHBondContact OE1-CB 3.38Å; E242-Y262 PolarHBondContact OE1-N 2.65Å
243	K	88.5	Confident	94.6	Very high	117 Å²	117	61.5 Å²	61.5	51%	0.509	31%	0.308	S	S	.	.	S	Bend	trans	-77.4	-25	170.9	-68.4	-177.3	175	-176.3	0	113.4	N241 E338 E339	N241-K243 PolarHBondContact O-N 3.07Å; K243-E338 VanDerWaalsContact CE-OE1 3.26Å; K243-E338 WeakPolarHBondContact CE-OE1 3.31Å; K243-E338 VanDerWaalsContact CE-OE2 3.31Å; K243-E338 WeakPolarHBondContact CE-OE2 3.39Å; K243-E338 IonicContact NZ-OE1 3.76Å; K243-E338 IonicContact NZ-OE2 3.15Å; K243-E338 PolarHBondContact NZ-OE2 3.11Å; K243-E339 IonicContact NZ-OE1 2.7Å; K243-E339 PolarHBondContact NZ-OE1 2.82Å; K243-E339 IonicContact NZ-OE2 3.33Å; K243-E339 PolarHBondContact NZ-OE2 2.85Å
244	T	83.8	Confident	94.5	Very high	77 Å²	77	62 Å²	62	47%	0.472	31%	0.31	S	S	.	.	S	Bend	trans	-100.2	158	-178.2	66.1	0	0	0	0	111.6
245	Q	79.4	Confident	94.4	Very high	188 Å²	188	63.5 Å²	63.5	88%	0.879	33%	0.325	S	S	*	.			trans	-98.5	14.1	176.4	-64.4	-177.1	-8.4	0	0	112.5
246	E	94.6	Very high	94.3	Very high	119 Å²	119	63.7 Å²	63.7	56%	0.556	33%	0.326	S	S	*	.			trans	-79.2	127.4	-179.6	-63.7	-170.2	148.6	0	0	110.1	T249 S261	E246-T249 HydrophobicContact CB-CG2 3.76Å; E246-T249 WeakPolarHBondContact OE2-CG2 3.25Å; E246-S261 PolarHBondContact O-OG 3.07Å
247	H	97.7	Very high	94.3	Very high	63 Å²	63	63.2 Å²	63.2	29%	0.292	33%	0.325	S	S	.	.	S	Bend	trans	-73.8	-33.2	179.6	-78.8	-162.7	0	0	0	112.3	Y260 S261 A264 E267	H247-Y260 WeakPolarHBondContact O-CA 3.25Å; H247-S261 WeakPolarHBondContact CA-OG 3.35Å; H247-S261 PolarHBondContact O-N 2.84Å; H247-S261 PolarHBondContact O-OG 3Å; H247-A264 HydrophobicContact CB-CB 3.66Å; H247-A264 WeakPolarHBondContact O-CB 3.32Å; H247-E267 IonicContact CE1-OE2 3.64Å; H247-E267 PolarHBondContact CE1-OE2 3.15Å
248	F	98.4	Very high	94.6	Very high	51 Å²	51	58.9 Å²	58.9	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	124.6	179.8	-63.2	-86.1	0	0	0	110.1	L202 S203 P204 Y258 F259 A264	L202-F248 HydrophobicContact CB-CE1 3.86Å; L202-F248 HydrophobicContact CB-CZ 4.07Å; S203-F248 WeakPolarHBondContact O-CZ 3.47Å; P204-F248 HydrophobicContact CB-CD2 3.8Å; P204-F248 HydrophobicContact CB-CE2 4.13Å; P204-F248 HydrophobicContact CB-CG 4.06Å; P204-F248 HydrophobicContact CG-CG 4.41Å; F248-Y258 HydrophobicContact CB-CD1 4.13Å; F248-Y258 HydrophobicContact CB-CG 4.23Å; F248-F259 VanDerWaalsContact CA-O 3.29Å; F248-F259 WeakPolarHBondContact CA-O 3.23Å; F248-A264 HydrophobicContact CE2-CB 4.39Å; F248-A264 HydrophobicContact CZ-CB 4.46Å
249	T	97.5	Very high	94.8	Very high	31 Å²	31	56.9 Å²	56.9	19%	0.19	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	161	174.8	71.6	0	0	0	0	109.7	E246 N251 Y258 F259	E246-T249 HydrophobicContact CB-CG2 3.76Å; E246-T249 WeakPolarHBondContact OE2-CG2 3.25Å; T249-N251 PolarHBondContact O-N 3.1Å; T249-Y258 CarbonylContact O-C 3.21Å; T249-Y258 WeakPolarHBondContact O-CA 3.32Å; T249-Y258 WeakPolarHBondContact O-CB 3.4Å; T249-F259 PolarHBondContact N-O 3.28Å; T249-F259 PolarHBondContact O-N 3.04Å
250	H	97.5	Very high	94.9	Very high	107 Å²	107	56.5 Å²	56.5	50%	0.495	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	127.8	-176.3	175.5	46.3	0	0	0	112	T252 S257	H250-T252 PolarHBondContact O-N 3.34Å; H250-S257 PolarHBondContact ND1-O 3.01Å
251	N	98.1	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.			trans	-72.1	96.2	178	-169.9	-31.9	0	0	0	111.3	D234 T249 V253 R254 G255 C256 S257 F259	D234-N251 PolarHBondContact OD2-ND2 3.5Å; T249-N251 PolarHBondContact O-N 3.1Å; N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.38Å; N251-V253 WeakPolarHBondContact OD1-CB 3.37Å; N251-V253 PolarHBondContact OD1-N 3.29Å; N251-V253 VanDerWaalsContact OD1-N 3.09Å; N251-R254 VanDerWaalsContact ND2-CG 3.32Å; N251-R254 WeakPolarHBondContact ND2-CG 3.49Å; N251-R254 PolarHBondContact OD1-N 3.17Å; N251-G255 WeakPolarHBondContact O-CA 3.39Å; N251-G255 PolarHBondContact O-N 3.08Å; N251-C256 WeakPolarHBondContact CB-O 3.46Å; N251-S257 PolarHBondContact N-O 3.34Å; N251-S257 VanDerWaalsContact N-O 3.13Å; N251-F259 HydrophobicContact CB-CD1 4.43Å; N251-F259 HydrophobicContact CB-CD2 4.39Å; N251-F259 HydrophobicContact CB-CE1 4.47Å; N251-F259 HydrophobicContact CB-CE2 4.45Å; N251-F259 HydrophobicContact CB-CG 4.38Å; N251-F259 HydrophobicContact CB-CZ 4.48Å; N251-F259 WeakPolarHBondContact OD1-CE1 3.19Å; N251-F259 WeakPolarHBondContact OD1-CZ 3.39Å
252	T	95.9	Very high	95.1	Very high	89 Å²	89	52.3 Å²	52.3	55%	0.546	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.1	-179.5	57.4	0	0	0	0	113.1	H250 R430	H250-T252 PolarHBondContact O-N 3.34Å; T252-R430 VanDerWaalsContact O-CZ 3.29Å; T252-R430 PolarHBondContact O-NH1 3.37Å; T252-R430 PolarHBondContact O-NH2 3.42Å
253	V	94.6	Very high	95.4	Very high	38 Å²	38	53 Å²	53	23%	0.23	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-56.5	175.6	169.4	0	0	0	0	110	N251 F259 R426 E429 R430	N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.38Å; N251-V253 WeakPolarHBondContact OD1-CB 3.37Å; N251-V253 PolarHBondContact OD1-N 3.29Å; N251-V253 VanDerWaalsContact OD1-N 3.09Å; V253-F259 HydrophobicContact CB-CZ 4.13Å; V253-F259 HydrophobicContact CG2-CZ 3.93Å; V253-R426 HydrophobicContact CG1-CG 4.35Å; V253-E429 HydrophobicContact CG1-CB 4.4Å; V253-R430 WeakPolarHBondContact O-CG 3.44Å; V253-R430 PolarHBondContact O-NH1 2.9Å
254	R	96.8	Very high	95.8	Very high	11 Å²	11	47.8 Å²	47.8	4%	0.042	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-27.4	179.5	-50.9	-59.1	175.7	158.5	11.2	112.9	W232 D234 N251 C256 H281 E429 R430 M431	W232-R254 HydrophobicContact CE3-CB 3.9Å; W232-R254 HydrophobicContact CE3-CG 4.09Å; W232-R254 HydrophobicContact CZ3-CB 4.27Å; D234-R254 IonicContact OD1-CZ 2.69Å; D234-R254 IonicContact OD1-NE 3.45Å; D234-R254 IonicContact OD1-NH2 2.92Å; D234-R254 PolarHBondContact OD1-NH2 2.79Å; D234-R254 VanDerWaalsContact OD2-CG 3.31Å; D234-R254 WeakPolarHBondContact OD2-CG 3.37Å; D234-R254 IonicContact OD2-CZ 3.56Å; D234-R254 IonicContact OD2-NE 2.73Å; D234-R254 PolarHBondContact OD2-NE 3.11Å; D234-R254 IonicContact OD2-NH2 2.72Å; D234-R254 PolarHBondContact OD2-NH2 2.99Å; N251-R254 VanDerWaalsContact ND2-CG 3.32Å; N251-R254 WeakPolarHBondContact ND2-CG 3.49Å; N251-R254 PolarHBondContact OD1-N 3.17Å; R254-C256 PolarHBondContact O-N 3.34Å; R254-H281 PolarHBondContact NE-NE2 2.8Å; R254-H281 PolarHBondContact NH1-CE1 2.86Å; R254-H281 PolarHBondContact NH1-O 3.41Å; R254-H281 PolarHBondContact NH2-CD2 3.17Å; R254-H281 PolarHBondContact NH2-NE2 3.15Å; R254-H281 PolarHBondContact NH2-O 2.99Å; R254-E429 WeakPolarHBondContact CD-O 3.44Å; R254-R430 CarbonylContact O-C 2.98Å; R254-R430 WeakPolarHBondContact O-CA 3.45Å; R254-M431 PolarHBondContact O-N 3.4Å
255	G	95.6	Very high	96.5	Very high	33 Å²	33	44.1 Å²	44.1	34%	0.34	23%	0.228	S	C	.	.	S	Bend	trans	74.8	11.5	-177.3	0	0	0	0	0	114.5	N251	N251-G255 WeakPolarHBondContact O-CA 3.39Å; N251-G255 PolarHBondContact O-N 3.08Å
256	C	97.5	Very high	97.4	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.061	19%	0.194	C	C	.	.	S	Bend	trans	-153	165.9	172	65	0	0	0	0	108	N251 R254 M431	N251-C256 WeakPolarHBondContact CB-O 3.46Å; R254-C256 PolarHBondContact O-N 3.34Å; C256-M431 HydrophobicContact CB-CB 4.46Å; C256-M431 HydrophobicContact CB-CE 3.69Å; C256-M431 HydrophobicContact CB-SD 4.29Å
257	S	98.3	Very high	97.5	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.063	19%	0.193	C	C	.	.	S	Bend	trans	56.9	-158	-173.5	-163	0	0	0	0	113.2	D229 H250 N251	D229-S257 WeakPolarHBondContact CA-OG 3.25Å; D229-S257 WeakPolarHBondContact OD1-CA 3.21Å; D229-S257 VanDerWaalsContact OD1-CB 3.27Å; D229-S257 WeakPolarHBondContact OD1-CB 3.35Å; D229-S257 PolarHBondContact OD1-OG 2.95Å; H250-S257 PolarHBondContact ND1-O 3.01Å; N251-S257 PolarHBondContact N-O 3.34Å; N251-S257 VanDerWaalsContact N-O 3.13Å
258	Y	98.6	Very high	97.5	Very high	82 Å²	82	33.8 Å²	33.8	32%	0.322	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.9	-164.9	-57.2	-85.7	0	0	0	112.3	P204 S233 D234 F248 T249	P204-Y258 HydrophobicContact CG-CD2 3.95Å; P204-Y258 HydrophobicContact CG-CE2 3.68Å; S233-Y258 WeakPolarHBondContact CA-O 3.33Å; S233-Y258 WeakPolarHBondContact CB-O 3.4Å; D234-Y258 PolarHBondContact N-O 3.34Å; F248-Y258 HydrophobicContact CB-CD1 4.13Å; F248-Y258 HydrophobicContact CB-CG 4.23Å; T249-Y258 CarbonylContact O-C 3.21Å; T249-Y258 WeakPolarHBondContact O-CA 3.32Å; T249-Y258 WeakPolarHBondContact O-CB 3.4Å
259	F	98.5	Very high	97.5	Very high	26 Å²	26	31.6 Å²	31.6	11%	0.114	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.4	154.6	-65.9	-61.4	0	0	0	108.6	D234 P235 L236 F248 T249 N251 V253	D234-F259 HydrophobicContact CB-CD1 3.8Å; D234-F259 HydrophobicContact CB-CE1 3.98Å; D234-F259 CarbonylContact O-C 3.53Å; D234-F259 WeakPolarHBondContact O-CA 3.37Å; P235-F259 WeakPolarHBondContact O-CD1 3.45Å; L236-F259 HydrophobicContact CD2-CB 3.51Å; L236-F259 HydrophobicContact CD2-CD2 4.12Å; L236-F259 HydrophobicContact CD2-CG 3.95Å; L236-F259 HydrophobicContact CG-CB 3.89Å; F248-F259 VanDerWaalsContact CA-O 3.29Å; F248-F259 WeakPolarHBondContact CA-O 3.23Å; T249-F259 PolarHBondContact N-O 3.28Å; T249-F259 PolarHBondContact O-N 3.04Å; N251-F259 HydrophobicContact CB-CD1 4.43Å; N251-F259 HydrophobicContact CB-CD2 4.39Å; N251-F259 HydrophobicContact CB-CE1 4.47Å; N251-F259 HydrophobicContact CB-CE2 4.45Å; N251-F259 HydrophobicContact CB-CG 4.38Å; N251-F259 HydrophobicContact CB-CZ 4.48Å; N251-F259 WeakPolarHBondContact OD1-CE1 3.19Å; N251-F259 WeakPolarHBondContact OD1-CZ 3.39Å; V253-F259 HydrophobicContact CB-CZ 4.13Å; V253-F259 HydrophobicContact CG2-CZ 3.93Å
260	Y	98.8	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.8	171.2	49.8	-98.6	0	0	0	111.5	G200 L202 S233 D234 P235 L236 F239 H247 V265 L302	G200-Y260 PolarHBondContact O-OH 3.09Å; L202-Y260 HydrophobicContact CB-CD1 4.2Å; L202-Y260 HydrophobicContact CB-CG 4.35Å; S233-Y260 WeakPolarHBondContact OG-CE1 3.47Å; D234-Y260 VanDerWaalsContact C-CZ 3.49Å; D234-Y260 WeakPolarHBondContact O-CD1 3.41Å; D234-Y260 VanDerWaalsContact O-CE1 3.32Å; D234-Y260 WeakPolarHBondContact O-CE1 3.37Å; D234-Y260 PolarHBondContact O-N 3.08Å; P235-Y260 WeakPolarHBondContact CA-O 3.47Å; P235-Y260 HydrophobicContact CB-CD2 4.42Å; P235-Y260 HydrophobicContact CB-CE2 3.95Å; L236-Y260 PolarHBondContact N-O 2.87Å; L236-Y260 VanDerWaalsContact N-O 3.08Å; F239-Y260 WeakPolarHBondContact CD2-O 3.46Å; F239-Y260 HydrophobicContact CE2-CD2 4.16Å; F239-Y260 HydrophobicContact CE2-CE2 4.46Å; H247-Y260 WeakPolarHBondContact O-CA 3.25Å; Y260-V265 HydrophobicContact CD2-CG2 3.59Å; Y260-V265 HydrophobicContact CE2-CG2 3.99Å; Y260-L302 HydrophobicContact CE2-CD1 4.24Å; Y260-L302 HydrophobicContact CE2-CD2 3.85Å
261	S	98.3	Very high	97.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	20%	0.201	C	C	.	.			trans	-95.6	162.2	-178.8	62.3	0	0	0	0	113.2	F239 E246 H247 A264 V265	F239-S261 VanDerWaalsContact CE2-C 3.49Å; E246-S261 PolarHBondContact O-OG 3.07Å; H247-S261 WeakPolarHBondContact CA-OG 3.35Å; H247-S261 PolarHBondContact O-N 2.84Å; H247-S261 PolarHBondContact O-OG 3Å; S261-A264 WeakPolarHBondContact O-CB 3.31Å; S261-A264 PolarHBondContact O-N 3.27Å; S261-V265 PolarHBondContact O-N 3.18Å
262	Y	97.8	Very high	97.4	Very high	14 Å²	14	39.5 Å²	39.5	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-55.8	-40.6	175.9	167.5	-91.8	0	0	0	113.3	F239 E242 V265 C266 R292 K293 Q295	F239-Y262 AromaticContact CE1-CD2 3.93Å; F239-Y262 HydrophobicContact CE1-CD2 3.93Å; F239-Y262 HydrophobicContact CE1-CG 4.43Å; F239-Y262 VanDerWaalsContact CE2-N 3.32Å; F239-Y262 HydrophobicContact CZ-CD2 4.27Å; E242-Y262 VanDerWaalsContact OE1-CB 3.3Å; E242-Y262 WeakPolarHBondContact OE1-CB 3.38Å; E242-Y262 PolarHBondContact OE1-N 2.65Å; Y262-V265 PolarHBondContact O-N 3.48Å; Y262-C266 VanDerWaalsContact CE2-SG 3.52Å; Y262-C266 WeakPolarHBondContact O-CB 3.47Å; Y262-C266 PolarHBondContact O-N 2.87Å; Y262-C266 PolarHBondContact O-SG 3.46Å; Y262-R292 HydrophobicContact CD2-CB 3.82Å; Y262-R292 HydrophobicContact CD2-CG 4.04Å; Y262-R292 HydrophobicContact CE2-CB 3.82Å; Y262-R292 HydrophobicContact CE2-CG 3.62Å; Y262-R292 WeakPolarHBondContact CE2-O 3.46Å; Y262-K293 WeakPolarHBondContact CE2-O 3.3Å; Y262-K293 PolarHBondContact OH-O 3.09Å; Y262-Q295 PolarHBondContact OH-N 2.95Å
263	P	97	Very high	97.4	Very high	49 Å²	49	42 Å²	42	32%	0.318	22%	0.218	S	C	.	.	H	α-helix	trans	-56.7	-45.1	169	-27.4	36.9	0	0	0	113.4	V265 C266 E267	P263-V265 PolarHBondContact O-N 3.38Å; P263-C266 PolarHBondContact O-N 3.07Å; P263-E267 PolarHBondContact O-N 3.39Å
264	A	97.9	Very high	97.3	Very high	6 Å²	6	40.8 Å²	40.8	5%	0.05	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-42.9	179.6	0	0	0	0	0	112.3	H247 F248 S261 F268	H247-A264 HydrophobicContact CB-CB 3.66Å; H247-A264 WeakPolarHBondContact O-CB 3.32Å; F248-A264 HydrophobicContact CE2-CB 4.39Å; F248-A264 HydrophobicContact CZ-CB 4.46Å; S261-A264 WeakPolarHBondContact O-CB 3.31Å; S261-A264 PolarHBondContact O-N 3.27Å; A264-F268 WeakPolarHBondContact O-CB 3.38Å; A264-F268 PolarHBondContact O-N 2.85Å
265	V	98.4	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-45.5	173.8	173.6	0	0	0	0	110.8	L202 F239 Y260 S261 Y262 P263 E267 F268 L269 I277	L202-V265 HydrophobicContact CD1-CB 4.45Å; L202-V265 HydrophobicContact CD1-CG2 3.83Å; F239-V265 HydrophobicContact CE2-CB 4.31Å; F239-V265 HydrophobicContact CE2-CG2 3.69Å; F239-V265 HydrophobicContact CZ-CB 4.06Å; F239-V265 HydrophobicContact CZ-CG1 4.45Å; F239-V265 HydrophobicContact CZ-CG2 3.83Å; Y260-V265 HydrophobicContact CD2-CG2 3.59Å; Y260-V265 HydrophobicContact CE2-CG2 3.99Å; S261-V265 PolarHBondContact O-N 3.18Å; Y262-V265 PolarHBondContact O-N 3.48Å; P263-V265 PolarHBondContact O-N 3.38Å; V265-E267 PolarHBondContact O-N 3.27Å; V265-F268 PolarHBondContact O-N 2.92Å; V265-L269 HydrophobicContact CG1-CD1 3.88Å; V265-L269 HydrophobicContact CG1-CG 4.16Å; V265-L269 WeakPolarHBondContact O-CB 3.16Å; V265-L269 VanDerWaalsContact O-CG 3.22Å; V265-L269 WeakPolarHBondContact O-CG 3.48Å; V265-L269 PolarHBondContact O-N 2.84Å; V265-I277 HydrophobicContact CG1-CD1 4.02Å; V265-I277 HydrophobicContact CG1-CG1 4.4Å; V265-I277 HydrophobicContact CG2-CD1 4.43Å
266	C	97.2	Very high	97	Very high	24 Å²	24	40.6 Å²	40.6	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-39.6	-179.4	-68.9	0	0	0	0	112.8	Y262 P263 Q270	Y262-C266 VanDerWaalsContact CE2-SG 3.52Å; Y262-C266 WeakPolarHBondContact O-CB 3.47Å; Y262-C266 PolarHBondContact O-N 2.87Å; Y262-C266 PolarHBondContact O-SG 3.46Å; P263-C266 PolarHBondContact O-N 3.07Å; C266-Q270 WeakPolarHBondContact O-CB 3.49Å; C266-Q270 PolarHBondContact O-N 3.32Å
267	E	97.4	Very high	97	Very high	117 Å²	117	40.1 Å²	40.1	55%	0.547	20%	0.199	S	C	.	.	H	α-helix	trans	-62.9	-48.1	173.6	-174.6	177.3	108.8	0	0	111.1	H247 P263 V265 L269 Q270 H271	H247-E267 IonicContact CE1-OE2 3.64Å; H247-E267 PolarHBondContact CE1-OE2 3.15Å; P263-E267 PolarHBondContact O-N 3.39Å; V265-E267 PolarHBondContact O-N 3.27Å; E267-L269 PolarHBondContact O-N 2.72Å; E267-Q270 PolarHBondContact O-N 2.77Å; E267-H271 VanDerWaalsContact O-CB 3.29Å; E267-H271 WeakPolarHBondContact O-CB 3.17Å; E267-H271 PolarHBondContact O-N 3.27Å
268	F	98.4	Very high	96.9	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-44.2	178.5	-176.5	-88	0	0	0	112.2	L196 L202 I206 N207 L209 A264 V265 H271 N272 L274 I277	L196-F268 HydrophobicContact CD2-CE1 3.59Å; L196-F268 HydrophobicContact CD2-CZ 3.89Å; L202-F268 HydrophobicContact CD1-CB 4.01Å; L202-F268 HydrophobicContact CD1-CG 4.26Å; L202-F268 HydrophobicContact CD2-CB 4.38Å; L202-F268 HydrophobicContact CD2-CD1 3.77Å; L202-F268 HydrophobicContact CD2-CD2 3.88Å; L202-F268 HydrophobicContact CD2-CE1 3.99Å; L202-F268 HydrophobicContact CD2-CE2 4.09Å; L202-F268 HydrophobicContact CD2-CG 3.72Å; L202-F268 HydrophobicContact CD2-CZ 4.15Å; I206-F268 HydrophobicContact CG2-CE2 4.16Å; I206-F268 WeakPolarHBondContact O-CE2 3.41Å; N207-F268 WeakPolarHBondContact O-CE2 3.43Å; L209-F268 HydrophobicContact CD2-CZ 4.33Å; A264-F268 WeakPolarHBondContact O-CB 3.38Å; A264-F268 PolarHBondContact O-N 2.85Å; V265-F268 PolarHBondContact O-N 2.92Å; F268-H271 PolarHBondContact O-N 3.24Å; F268-N272 HydrophobicContact CE1-CB 4.43Å; F268-N272 WeakPolarHBondContact CE2-ND2 3.16Å; F268-N272 WeakPolarHBondContact O-CB 3.25Å; F268-N272 PolarHBondContact O-N 2.93Å; F268-N272 PolarHBondContact O-ND2 3.43Å; F268-L274 HydrophobicContact CD1-CD1 4.49Å; F268-L274 HydrophobicContact CE1-CD1 3.91Å; F268-I277 HydrophobicContact CD1-CD1 4.35Å
269	L	97.4	Very high	96.9	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-46.7	176	-72.9	177	0	0	0	111.5	V265 E267 N273 L274 I277	V265-L269 HydrophobicContact CG1-CD1 3.88Å; V265-L269 HydrophobicContact CG1-CG 4.16Å; V265-L269 WeakPolarHBondContact O-CB 3.16Å; V265-L269 VanDerWaalsContact O-CG 3.22Å; V265-L269 WeakPolarHBondContact O-CG 3.48Å; V265-L269 PolarHBondContact O-N 2.84Å; E267-L269 PolarHBondContact O-N 2.72Å; L269-N273 WeakPolarHBondContact O-CA 3.21Å; L269-N273 PolarHBondContact O-N 2.99Å; L269-L274 HydrophobicContact CD2-CB 3.54Å; L269-L274 PolarHBondContact O-N 2.71Å; L269-I277 HydrophobicContact CD2-CG1 3.99Å
270	Q	95.8	Very high	96.9	Very high	146 Å²	146	34.6 Å²	34.6	68%	0.682	18%	0.175	S	C	*	.	H	α-helix	trans	-67.7	-40.8	179.7	-176.1	170.9	-10.9	0	0	112.1	C266 E267 N273	C266-Q270 WeakPolarHBondContact O-CB 3.49Å; C266-Q270 PolarHBondContact O-N 3.32Å; E267-Q270 PolarHBondContact O-N 2.77Å; Q270-N273 PolarHBondContact O-N 3.21Å
271	H	97.9	Very high	96.8	Very high	129 Å²	129	34.9 Å²	34.9	60%	0.597	18%	0.177	S	C	*	.	H	α-helix	trans	-65.8	-37.4	178.9	-169.7	86.6	0	0	0	112.5	E267 F268	E267-H271 VanDerWaalsContact O-CB 3.29Å; E267-H271 WeakPolarHBondContact O-CB 3.17Å; E267-H271 PolarHBondContact O-N 3.27Å; F268-H271 PolarHBondContact O-N 3.24Å
272	N	98	Very high	96.7	Very high	29 Å²	29	35.9 Å²	35.9	16%	0.155	18%	0.181	C	C	.	.	H	α-helix	trans	-96	3.6	-178.4	-68	-88.4	0	0	0	113.9	N207 T208 L209 F268 L274	N207-N272 PolarHBondContact O-ND2 3.18Å; T208-N272 VanDerWaalsContact CA-OD1 3.28Å; T208-N272 WeakPolarHBondContact CA-OD1 3.47Å; L209-N272 HydrophobicContact CD1-CB 4.48Å; L209-N272 HydrophobicContact CG-CB 4.3Å; L209-N272 PolarHBondContact N-OD1 3.3Å; F268-N272 HydrophobicContact CE1-CB 4.43Å; F268-N272 WeakPolarHBondContact CE2-ND2 3.16Å; F268-N272 WeakPolarHBondContact O-CB 3.25Å; F268-N272 PolarHBondContact O-N 2.93Å; F268-N272 PolarHBondContact O-ND2 3.43Å; N272-L274 HydrophobicContact CB-CD1 3.89Å; N272-L274 HydrophobicContact CB-CG 3.96Å; N272-L274 PolarHBondContact O-N 2.77Å
273	N	94.6	Very high	96.5	Very high	141 Å²	141	35.4 Å²	35.4	75%	0.754	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	51.2	-175.9	-170.2	84.7	0	0	0	112.7	L269 Q270	L269-N273 WeakPolarHBondContact O-CA 3.21Å; L269-N273 PolarHBondContact O-N 2.99Å; Q270-N273 PolarHBondContact O-N 3.21Å
274	L	94.5	Very high	96.3	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.068	17%	0.169	C	C	.	.			trans	-110.8	155.7	179.5	-62.8	175.2	0	0	0	111.5	L190 L196 L209 F268 L269 N272	L190-L274 HydrophobicContact CD1-CD2 3.6Å; L196-L274 HydrophobicContact CB-CD1 3.89Å; L209-L274 HydrophobicContact CD1-CD1 4.49Å; L209-L274 HydrophobicContact CD1-CD2 4.43Å; L209-L274 HydrophobicContact CD2-CD1 4.35Å; F268-L274 HydrophobicContact CD1-CD1 4.49Å; F268-L274 HydrophobicContact CE1-CD1 3.91Å; L269-L274 HydrophobicContact CD2-CB 3.54Å; L269-L274 PolarHBondContact O-N 2.71Å; N272-L274 HydrophobicContact CB-CD1 3.89Å; N272-L274 HydrophobicContact CB-CG 3.96Å; N272-L274 PolarHBondContact O-N 2.77Å
275	L	89.4	Confident	95.9	Very high	40 Å²	40	37.2 Å²	37.2	21%	0.209	19%	0.186	C	C	.	.	S	Bend	trans	-88.9	-39.4	-179.4	-179.7	57	0	0	0	112.6	Q194 F195 T297 F299	Q194-L275 HydrophobicContact CB-CB 4.24Å; Q194-L275 PolarHBondContact O-N 2.84Å; F195-L275 HydrophobicContact CE1-CD2 4.31Å; F195-L275 HydrophobicContact CE1-CG 4.44Å; F195-L275 HydrophobicContact CE2-CD2 4.33Å; F195-L275 HydrophobicContact CZ-CD2 3.72Å; F195-L275 HydrophobicContact CZ-CG 4.32Å; L275-T297 HydrophobicContact CD1-CG2 4.04Å; L275-F299 HydrophobicContact CD1-CB 3.7Å; L275-F299 HydrophobicContact CD1-CD1 4.24Å; L275-F299 HydrophobicContact CD1-CG 3.98Å; L275-F299 HydrophobicContact CD2-CD1 4.47Å; L275-F299 HydrophobicContact CD2-CG 4.42Å; L275-F299 HydrophobicContact CG-CB 4.33Å; L275-F299 HydrophobicContact CG-CD1 3.93Å; L275-F299 HydrophobicContact CG-CE1 4.49Å; L275-F299 HydrophobicContact CG-CG 4.08Å
276	S	94.8	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	164.3	-176	-169.9	0	0	0	0	111.8	F195 L196 P300 S301	F195-S276 WeakPolarHBondContact CA-O 3.49Å; L196-S276 PolarHBondContact N-O 2.77Å; S276-P300 VanDerWaalsContact CB-O 3.24Å; S276-P300 WeakPolarHBondContact CB-O 3.35Å; S276-P300 PolarHBondContact OG-O 3.02Å; S276-S301 PolarHBondContact OG-O 2.8Å
277	I	98.2	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.4	168	-57.5	-177.8	0	0	0	109.1	L196 V198 L202 V265 F268 L269 S301 L302 I303	L196-I277 HydrophobicContact CB-CG1 4.5Å; L196-I277 CarbonylContact O-C 3.59Å; L196-I277 WeakPolarHBondContact O-CA 3.46Å; V198-I277 HydrophobicContact CG2-CG2 4.15Å; L202-I277 HydrophobicContact CD1-CD1 3.85Å; L202-I277 HydrophobicContact CD2-CD1 3.76Å; L202-I277 HydrophobicContact CG-CD1 3.79Å; V265-I277 HydrophobicContact CG1-CD1 4.02Å; V265-I277 HydrophobicContact CG1-CG1 4.4Å; V265-I277 HydrophobicContact CG2-CD1 4.43Å; F268-I277 HydrophobicContact CD1-CD1 4.35Å; L269-I277 HydrophobicContact CD2-CG1 3.99Å; I277-S301 PolarHBondContact N-O 3.03Å; I277-L302 HydrophobicContact CB-CD1 3.72Å; I277-L302 HydrophobicContact CG2-CD1 3.79Å; I277-L302 CarbonylContact O-C 3.56Å; I277-L302 WeakPolarHBondContact O-CA 3.22Å; I277-I303 PolarHBondContact O-N 3.27Å
278	L	97.2	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.1	170.3	-52.3	-176.4	0	0	0	109.1	V87 M191 F195 L196 C197 V198 I303	V87-L278 HydrophobicContact CG2-CD1 4.17Å; M191-L278 HydrophobicContact CE-CD1 3.88Å; F195-L278 HydrophobicContact CB-CD1 4.29Å; F195-L278 HydrophobicContact CB-CG 4.25Å; F195-L278 HydrophobicContact CD1-CD1 4.18Å; F195-L278 HydrophobicContact CD1-CD2 4.01Å; F195-L278 HydrophobicContact CD1-CG 3.94Å; F195-L278 HydrophobicContact CE1-CD2 4.48Å; F195-L278 HydrophobicContact CG-CD1 4.31Å; F195-L278 HydrophobicContact CG-CG 4.38Å; L196-L278 PolarHBondContact O-N 3.27Å; C197-L278 WeakPolarHBondContact CA-O 3.43Å; V198-L278 PolarHBondContact N-O 2.91Å; V198-L278 VanDerWaalsContact N-O 3.1Å; L278-I303 HydrophobicContact CD2-CB 3.82Å; L278-I303 HydrophobicContact CD2-CD1 3.91Å; L278-I303 HydrophobicContact CD2-CG1 4.14Å
279	R	98.5	Very high	94.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	176	-179.6	66	81.5	66.3	154.4	10.4	112.8	V198 H199 G200 S233 D234 E282 L302 I303 T304 I305	V198-R279 HydrophobicContact CG2-CB 4.19Å; V198-R279 WeakPolarHBondContact O-CA 3.42Å; H199-R279 WeakPolarHBondContact O-CB 3.45Å; G200-R279 PolarHBondContact O-NE 2.79Å; G200-R279 PolarHBondContact O-NH2 3.46Å; G200-R279 VanDerWaalsContact O-NH2 3.16Å; S233-R279 PolarHBondContact O-NH2 3.32Å; D234-R279 IonicContact OD1-CZ 3.18Å; D234-R279 IonicContact OD1-NH1 3.68Å; D234-R279 IonicContact OD1-NH2 2.8Å; D234-R279 PolarHBondContact OD1-NH2 3.49Å; R279-E282 IonicContact CZ-OE2 3.77Å; R279-E282 IonicContact NH1-OE2 3.15Å; R279-E282 PolarHBondContact NH1-OE2 3.33Å; R279-L302 HydrophobicContact CG-CD1 3.72Å; R279-L302 HydrophobicContact CG-CG 4.39Å; R279-I303 PolarHBondContact N-O 3Å; R279-T304 WeakPolarHBondContact CD-OG1 3.42Å; R279-T304 CarbonylContact O-C 3.42Å; R279-T304 WeakPolarHBondContact O-CA 3.37Å; R279-I305 PolarHBondContact O-N 3.03Å
280	A	97	Very high	94	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.			trans	-130	-123.4	-176.9	0	0	0	0	0	110.7	D90 L116 H199 E282 T304 I305	D90-A280 WeakPolarHBondContact OD1-CB 3.35Å; L116-A280 HydrophobicContact CB-CB 3.98Å; L116-A280 HydrophobicContact CD1-CB 4.07Å; H199-A280 PolarHBondContact O-N 3.48Å; A280-E282 PolarHBondContact O-N 2.99Å; A280-T304 WeakPolarHBondContact O-CG2 3.34Å; A280-I305 VanDerWaalsContact CA-O 3.31Å; A280-I305 WeakPolarHBondContact CA-O 3.49Å; A280-I305 VanDerWaalsContact CB-O 3.28Å; A280-I305 WeakPolarHBondContact CB-O 3.2Å
281	H	98	Very high	93.9	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.028	18%	0.176	C	C	.	.	S	Bend	trans	63.9	-15.9	163.6	-168.9	53.4	0	0	0	118.5	D90 N150 H199 W232 D234 R254	D90-H281 PolarHBondContact OD1-N 2.98Å; D90-H281 WeakPolarHBondContact OD2-CA 3.5Å; D90-H281 PolarHBondContact OD2-N 2.99Å; N150-H281 VanDerWaalsContact CG-CE1 3.4Å; N150-H281 PolarHBondContact OD1-CE1 2.88Å; N150-H281 PolarHBondContact OD1-ND1 3.16Å; H199-H281 AromaticContact CD2-CG 3.94Å; H199-H281 AromaticContact CD2-ND1 3.78Å; H199-H281 AromaticContact NE2-CG 3.89Å; H199-H281 AromaticContact NE2-ND1 3.51Å; W232-H281 AromaticContact CE3-CE1 3.97Å; D234-H281 IonicContact OD1-CD2 2.72Å; D234-H281 PolarHBondContact OD1-CD2 2.97Å; R254-H281 PolarHBondContact NE-NE2 2.8Å; R254-H281 PolarHBondContact NH1-CE1 2.86Å; R254-H281 PolarHBondContact NH1-O 3.41Å; R254-H281 PolarHBondContact NH2-CD2 3.17Å; R254-H281 PolarHBondContact NH2-NE2 3.15Å; R254-H281 PolarHBondContact NH2-O 2.99Å
282	E	96.4	Very high	93.7	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.103	17%	0.168	C	C	.	.	S	Bend	trans	-121.7	125	170.8	-77.9	-176.4	86.6	0	0	110.8	P235 R279 A280 Q284 Y291 T304 K422	P235-E282 WeakPolarHBondContact CD-OE2 3.43Å; P235-E282 WeakPolarHBondContact CG-OE2 3.38Å; R279-E282 IonicContact CZ-OE2 3.77Å; R279-E282 IonicContact NH1-OE2 3.15Å; R279-E282 PolarHBondContact NH1-OE2 3.33Å; A280-E282 PolarHBondContact O-N 2.99Å; E282-Q284 VanDerWaalsContact CB-NE2 3.29Å; E282-Q284 PolarHBondContact O-NE2 3.01Å; E282-Y291 PolarHBondContact OE2-OH 3.39Å; E282-T304 HydrophobicContact CB-CG2 4.41Å; E282-K422 IonicContact OE1-NZ 3.53Å
283	A	93.8	Very high	93.4	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	17%	0.171	C	C	.	.			trans	-57.7	139.2	170.8	0	0	0	0	0	111.6	F306 Y311 Y315 F418	A283-F306 HydrophobicContact CB-CD1 4.27Å; A283-F306 HydrophobicContact CB-CD2 4.43Å; A283-F306 HydrophobicContact CB-CE1 3.8Å; A283-F306 HydrophobicContact CB-CE2 3.99Å; A283-F306 HydrophobicContact CB-CZ 3.65Å; A283-Y311 HydrophobicContact CB-CD1 4.23Å; A283-Y315 HydrophobicContact CB-CE1 4.06Å; A283-F418 HydrophobicContact CB-CE2 4.4Å; A283-F418 HydrophobicContact CB-CZ 4.12Å; A283-F418 WeakPolarHBondContact O-CZ 3.49Å
284	Q	92.9	Very high	93.1	Very high	17 Å²	17	29.5 Å²	29.5	8%	0.079	14%	0.138	C	C	.	.			trans	-130.6	136.9	177.4	-49.3	-59.8	-45.4	0	0	109.8	E282 A286 G287 R289 T304	E282-Q284 VanDerWaalsContact CB-NE2 3.29Å; E282-Q284 PolarHBondContact O-NE2 3.01Å; Q284-A286 PolarHBondContact O-N 3.42Å; Q284-G287 WeakPolarHBondContact O-CA 3.45Å; Q284-G287 PolarHBondContact O-N 3.21Å; Q284-R289 HydrophobicContact CG-CB 4.16Å; Q284-R289 VanDerWaalsContact OE1-CB 3.31Å; Q284-T304 HydrophobicContact CG-CG2 3.87Å
285	D	89.1	Confident	92.8	Very high	77 Å²	77	36.4 Å²	36.4	41%	0.412	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-43.1	-178.3	-179.1	51.5	0	0	0	112.7	G287 N317 K318 F418	D285-G287 PolarHBondContact O-N 3Å; D285-N317 WeakPolarHBondContact O-CA 3.14Å; D285-K318 PolarHBondContact O-N 2.95Å; D285-F418 HydrophobicContact CB-CB 4.26Å; D285-F418 HydrophobicContact CB-CD1 4.18Å; D285-F418 HydrophobicContact CB-CD2 3.72Å; D285-F418 HydrophobicContact CB-CE2 4.1Å; D285-F418 HydrophobicContact CB-CG 3.78Å; D285-F418 VanDerWaalsContact N-CE2 3.33Å
286	A	87.4	Confident	92.5	Very high	38 Å²	38	39.7 Å²	39.7	31%	0.314	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.9	173.6	0	0	0	0	0	114	Q284 Y288	Q284-A286 PolarHBondContact O-N 3.42Å; A286-Y288 HydrophobicContact CB-CD1 4.28Å; A286-Y288 HydrophobicContact CB-CE1 4.18Å; A286-Y288 WeakPolarHBondContact O-CD1 3.32Å; A286-Y288 PolarHBondContact O-N 2.87Å
287	G	88.4	Confident	91.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	74.7	-3.6	-169.3	0	0	0	0	0	114.4	Q284 D285 F306 T320	Q284-G287 WeakPolarHBondContact O-CA 3.45Å; Q284-G287 PolarHBondContact O-N 3.21Å; D285-G287 PolarHBondContact O-N 3Å; G287-F306 PolarHBondContact O-N 3.2Å; G287-T320 VanDerWaalsContact CA-OG1 3.24Å; G287-T320 WeakPolarHBondContact CA-OG1 3.45Å; G287-T320 PolarHBondContact O-OG1 2.75Å
288	Y	90.7	Very high	91.3	Very high	76 Å²	76	44.8 Å²	44.8	30%	0.298	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.3	174.5	71.7	-84.8	0	0	0	111.3	A286 M290 T304 M322	A286-Y288 HydrophobicContact CB-CD1 4.28Å; A286-Y288 HydrophobicContact CB-CE1 4.18Å; A286-Y288 WeakPolarHBondContact O-CD1 3.32Å; A286-Y288 PolarHBondContact O-N 2.87Å; Y288-M290 HydrophobicContact CD2-CG 4.43Å; Y288-M290 HydrophobicContact CE2-CG 4.49Å; Y288-T304 CarbonylContact C-O 3.34Å; Y288-T304 WeakPolarHBondContact CA-O 3.49Å; Y288-T304 WeakPolarHBondContact CB-O 3.39Å; Y288-M322 HydrophobicContact CD1-CB 4.39Å; Y288-M322 HydrophobicContact CD1-CE 4.11Å; Y288-M322 HydrophobicContact CD2-CE 3.44Å; Y288-M322 VanDerWaalsContact CD2-CE 3.44Å; Y288-M322 HydrophobicContact CD2-SD 4.24Å; Y288-M322 HydrophobicContact CE1-CB 4.43Å; Y288-M322 HydrophobicContact CE2-CE 4Å; Y288-M322 HydrophobicContact CE2-SD 4.2Å; Y288-M322 HydrophobicContact CG-CE 3.51Å
289	R	91.3	Very high	90.7	Very high	90 Å²	90	46.5 Å²	46.5	34%	0.34	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	125.5	169.4	179	173.9	173.6	-174.7	-1.5	109.8	Q284 Y291 I303 T304	Q284-R289 HydrophobicContact CG-CB 4.16Å; Q284-R289 VanDerWaalsContact OE1-CB 3.31Å; R289-Y291 HydrophobicContact CB-CE2 3.92Å; R289-Y291 HydrophobicContact CG-CD2 4.03Å; R289-Y291 HydrophobicContact CG-CE1 4.47Å; R289-Y291 HydrophobicContact CG-CE2 3.65Å; R289-Y291 WeakPolarHBondContact O-CD2 3.46Å; R289-Y291 WeakPolarHBondContact O-CE2 3.41Å; R289-I303 WeakPolarHBondContact O-CA 3.28Å; R289-T304 PolarHBondContact N-O 3.02Å; R289-T304 PolarHBondContact O-N 3.49Å
290	M	89.5	Confident	90.4	Very high	54 Å²	54	46.7 Å²	46.7	27%	0.266	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.8	166.1	-66.3	-174.6	175.8	0	0	108.4	Y288 P300 I303 M322 I329	Y288-M290 HydrophobicContact CD2-CG 4.43Å; Y288-M290 HydrophobicContact CE2-CG 4.49Å; M290-P300 HydrophobicContact CB-CB 4.23Å; M290-P300 HydrophobicContact CB-CG 4.11Å; M290-P300 HydrophobicContact CG-CG 4.29Å; M290-P300 HydrophobicContact SD-CG 3.96Å; M290-I303 HydrophobicContact CE-CD1 4.35Å; M290-I303 HydrophobicContact CG-CD1 4.43Å; M290-I303 HydrophobicContact CG-CG1 4.29Å; M290-I303 HydrophobicContact CG-CG2 4.35Å; M290-M322 HydrophobicContact CE-CE 4.04Å; M290-M322 HydrophobicContact CE-SD 3.71Å; M290-I329 HydrophobicContact CE-CB 3.87Å; M290-I329 HydrophobicContact CE-CG2 3.65Å; M290-I329 HydrophobicContact SD-CG2 4.07Å
291	Y	94.4	Very high	90.3	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.039	24%	0.241	C	C	.	.			trans	-104	175	-179.4	-62.6	-112.7	0	0	0	110.2	P235 F239 E282 R289 K293 L302 T304	P235-Y291 HydrophobicContact CB-CD1 4.39Å; P235-Y291 HydrophobicContact CB-CE1 3.84Å; P235-Y291 HydrophobicContact CG-CD1 4.48Å; P235-Y291 HydrophobicContact CG-CE1 3.52Å; F239-Y291 HydrophobicContact CB-CD1 4.18Å; F239-Y291 AromaticContact CD1-CD1 3.6Å; F239-Y291 HydrophobicContact CD1-CD1 3.6Å; F239-Y291 HydrophobicContact CD1-CG 4.09Å; F239-Y291 HydrophobicContact CE1-CD1 4.18Å; F239-Y291 HydrophobicContact CE1-CG 4.25Å; F239-Y291 HydrophobicContact CG-CD1 4.04Å; E282-Y291 PolarHBondContact OE2-OH 3.39Å; R289-Y291 HydrophobicContact CB-CE2 3.92Å; R289-Y291 HydrophobicContact CG-CD2 4.03Å; R289-Y291 HydrophobicContact CG-CE1 4.47Å; R289-Y291 HydrophobicContact CG-CE2 3.65Å; R289-Y291 WeakPolarHBondContact O-CD2 3.46Å; R289-Y291 WeakPolarHBondContact O-CE2 3.41Å; Y291-K293 PolarHBondContact O-N 2.91Å; Y291-L302 HydrophobicContact CD1-CD2 4.06Å; Y291-L302 HydrophobicContact CD2-CB 4.02Å; Y291-L302 HydrophobicContact CD2-CD2 3.91Å; Y291-L302 HydrophobicContact CD2-CG 3.96Å; Y291-L302 WeakPolarHBondContact CD2-O 3.29Å; Y291-L302 HydrophobicContact CE1-CD2 4.09Å; Y291-L302 HydrophobicContact CE2-CD2 3.98Å; Y291-L302 HydrophobicContact CE2-CG 4.23Å; Y291-L302 HydrophobicContact CG-CB 4.09Å; Y291-L302 HydrophobicContact CG-CD2 3.97Å; Y291-L302 HydrophobicContact CG-CG 4.31Å; Y291-L302 PolarHBondContact N-O 3.04Å; Y291-T304 VanDerWaalsContact CE2-OG1 3.26Å; Y291-T304 WeakPolarHBondContact CE2-OG1 3.38Å; Y291-T304 PolarHBondContact OH-OG1 2.86Å
292	R	94.5	Very high	90.3	Very high	115 Å²	115	46.4 Å²	46.4	43%	0.434	24%	0.24	S	C	.	.			trans	-44.2	130.2	-176	-175.6	175.5	-178.2	-173.3	0.4	112.3	G240 Y262 S301	G240-R292 WeakPolarHBondContact O-CD 3.41Å; G240-R292 PolarHBondContact O-NH1 3.17Å; Y262-R292 HydrophobicContact CD2-CB 3.82Å; Y262-R292 HydrophobicContact CD2-CG 4.04Å; Y262-R292 HydrophobicContact CE2-CB 3.82Å; Y262-R292 HydrophobicContact CE2-CG 3.62Å; Y262-R292 WeakPolarHBondContact CE2-O 3.46Å; R292-S301 WeakPolarHBondContact O-CB 3.46Å; R292-S301 PolarHBondContact O-N 2.75Å; R292-S301 VanDerWaalsContact O-N 3.13Å; R292-S301 PolarHBondContact O-OG 3.02Å
293	K	91.6	Very high	90.2	Very high	50 Å²	50	45.4 Å²	45.4	22%	0.217	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-60.6	139.3	176.2	-72.4	167.3	172.1	165.7	0	111.8	Y262 Y291 Q295 G298 F299 P300 D332	Y262-K293 WeakPolarHBondContact CE2-O 3.3Å; Y262-K293 PolarHBondContact OH-O 3.09Å; Y291-K293 PolarHBondContact O-N 2.91Å; K293-Q295 PolarHBondContact O-N 3.18Å; K293-G298 VanDerWaalsContact CD-O 3.29Å; K293-G298 WeakPolarHBondContact CD-O 3.32Å; K293-F299 CarbonylContact C-O 3.57Å; K293-F299 VanDerWaalsContact CA-O 3.3Å; K293-F299 WeakPolarHBondContact CA-O 3.3Å; K293-P300 HydrophobicContact CG-CG 4.4Å; K293-D332 VanDerWaalsContact CD-OD1 3.28Å; K293-D332 WeakPolarHBondContact CD-OD1 3.36Å; K293-D332 WeakPolarHBondContact CE-OD1 3.41Å; K293-D332 WeakPolarHBondContact CE-OD2 3.44Å; K293-D332 IonicContact NZ-OD1 3.44Å; K293-D332 PolarHBondContact NZ-OD1 2.95Å; K293-D332 IonicContact NZ-OD2 2.6Å; K293-D332 PolarHBondContact NZ-OD2 3.05Å
294	S	87.5	Confident	90.3	Very high	7 Å²	7	45.2 Å²	45.2	5%	0.049	23%	0.234	C	C	.	.			trans	-66.3	130	168.5	168.8	0	0	0	0	109.4	T296 T297 G298 F299	S294-T296 PolarHBondContact O-N 2.91Å; S294-T296 PolarHBondContact OG-N 3.09Å; S294-T297 WeakPolarHBondContact CB-OG1 3.41Å; S294-T297 PolarHBondContact O-N 3.45Å; S294-G298 PolarHBondContact O-N 2.82Å; S294-F299 PolarHBondContact N-O 2.83Å
295	Q	88.2	Confident	90.4	Very high	158 Å²	158	44.4 Å²	44.4	74%	0.738	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.7	179.2	-65.8	175.9	29.6	0	0	112.3	Y262 K293	Y262-Q295 PolarHBondContact OH-N 2.95Å; K293-Q295 PolarHBondContact O-N 3.18Å
296	T	82.8	Confident	90.6	Very high	109 Å²	109	40.9 Å²	40.9	67%	0.669	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-31.1	-178.4	-46.7	0	0	0	0	112.9	S294	S294-T296 PolarHBondContact O-N 2.91Å; S294-T296 PolarHBondContact OG-N 3.09Å
297	T	82.8	Confident	91	Very high	60 Å²	60	39.8 Å²	39.8	37%	0.368	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-20.4	-173.3	67.9	0	0	0	0	114.1	L275 S294 F299	L275-T297 HydrophobicContact CD1-CG2 4.04Å; S294-T297 WeakPolarHBondContact CB-OG1 3.41Å; S294-T297 PolarHBondContact O-N 3.45Å; T297-F299 PolarHBondContact O-N 3.41Å; T297-F299 PolarHBondContact OG1-N 3.35Å
298	G	85.2	Confident	91.3	Very high	48 Å²	48	39.8 Å²	39.8	50%	0.495	20%	0.201	S	C	.	.	S	Bend	trans	69.7	5.2	-171.3	0	0	0	0	0	114.4	K293 S294	K293-G298 VanDerWaalsContact CD-O 3.29Å; K293-G298 WeakPolarHBondContact CD-O 3.32Å; S294-G298 PolarHBondContact O-N 2.82Å
299	F	85.6	Confident	91.3	Very high	36 Å²	36	36.8 Å²	36.8	16%	0.158	19%	0.191	C	C	.	.	S	Bend	trans	-109.8	148.5	-176.9	-167.8	-88.9	0	0	0	110.5	F195 L275 K293 S294 T297 S301 I303 V326	F195-F299 AromaticContact CE1-CE1 3.84Å; F195-F299 HydrophobicContact CE1-CE1 3.84Å; F195-F299 HydrophobicContact CE1-CZ 4.17Å; F195-F299 HydrophobicContact CZ-CE1 4.4Å; F195-F299 HydrophobicContact CZ-CZ 4.38Å; L275-F299 HydrophobicContact CD1-CB 3.7Å; L275-F299 HydrophobicContact CD1-CD1 4.24Å; L275-F299 HydrophobicContact CD1-CG 3.98Å; L275-F299 HydrophobicContact CD2-CD1 4.47Å; L275-F299 HydrophobicContact CD2-CG 4.42Å; L275-F299 HydrophobicContact CG-CB 4.33Å; L275-F299 HydrophobicContact CG-CD1 3.93Å; L275-F299 HydrophobicContact CG-CE1 4.49Å; L275-F299 HydrophobicContact CG-CG 4.08Å; K293-F299 CarbonylContact C-O 3.57Å; K293-F299 VanDerWaalsContact CA-O 3.3Å; K293-F299 WeakPolarHBondContact CA-O 3.3Å; S294-F299 PolarHBondContact N-O 2.83Å; T297-F299 PolarHBondContact O-N 3.41Å; T297-F299 PolarHBondContact OG1-N 3.35Å; F299-S301 PolarHBondContact O-N 2.73Å; F299-I303 HydrophobicContact CE1-CD1 4.05Å; F299-I303 HydrophobicContact CZ-CD1 4.28Å; F299-V326 HydrophobicContact CZ-CG1 4.35Å
300	P	90.9	Very high	91.4	Very high	3 Å²	3	35 Å²	35	2%	0.019	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-48.4	123.1	176.5	-31.7	37	0	0	0	112.3	S276 M290 K293 L302 I303	S276-P300 VanDerWaalsContact CB-O 3.24Å; S276-P300 WeakPolarHBondContact CB-O 3.35Å; S276-P300 PolarHBondContact OG-O 3.02Å; M290-P300 HydrophobicContact CB-CB 4.23Å; M290-P300 HydrophobicContact CB-CG 4.11Å; M290-P300 HydrophobicContact CG-CG 4.29Å; M290-P300 HydrophobicContact SD-CG 3.96Å; K293-P300 HydrophobicContact CG-CG 4.4Å; P300-L302 PolarHBondContact O-N 2.67Å; P300-I303 HydrophobicContact CB-CD1 4.32Å; P300-I303 HydrophobicContact CB-CG1 3.98Å
301	S	95.5	Very high	91.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-68.7	-28.6	-177.2	64.2	0	0	0	0	112.5	S276 I277 R292 F299	S276-S301 PolarHBondContact OG-O 2.8Å; I277-S301 PolarHBondContact N-O 3.03Å; R292-S301 WeakPolarHBondContact O-CB 3.46Å; R292-S301 PolarHBondContact O-N 2.75Å; R292-S301 VanDerWaalsContact O-N 3.13Å; R292-S301 PolarHBondContact O-OG 3.02Å; F299-S301 PolarHBondContact O-N 2.73Å
302	L	97	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.7	178.2	-175.3	72.7	0	0	0	109.4	P235 F239 Y260 I277 R279 Y291 P300	P235-L302 HydrophobicContact CB-CD2 3.63Å; P235-L302 HydrophobicContact CG-CD2 3.8Å; F239-L302 HydrophobicContact CE1-CB 4.27Å; F239-L302 HydrophobicContact CE2-CD2 4.34Å; F239-L302 HydrophobicContact CZ-CB 4.09Å; F239-L302 HydrophobicContact CZ-CD2 4.2Å; Y260-L302 HydrophobicContact CE2-CD1 4.24Å; Y260-L302 HydrophobicContact CE2-CD2 3.85Å; I277-L302 HydrophobicContact CB-CD1 3.72Å; I277-L302 HydrophobicContact CG2-CD1 3.79Å; I277-L302 CarbonylContact O-C 3.56Å; I277-L302 WeakPolarHBondContact O-CA 3.22Å; R279-L302 HydrophobicContact CG-CD1 3.72Å; R279-L302 HydrophobicContact CG-CG 4.39Å; Y291-L302 HydrophobicContact CD1-CD2 4.06Å; Y291-L302 HydrophobicContact CD2-CB 4.02Å; Y291-L302 HydrophobicContact CD2-CD2 3.91Å; Y291-L302 HydrophobicContact CD2-CG 3.96Å; Y291-L302 WeakPolarHBondContact CD2-O 3.29Å; Y291-L302 HydrophobicContact CE1-CD2 4.09Å; Y291-L302 HydrophobicContact CE2-CD2 3.98Å; Y291-L302 HydrophobicContact CE2-CG 4.23Å; Y291-L302 HydrophobicContact CG-CB 4.09Å; Y291-L302 HydrophobicContact CG-CD2 3.97Å; Y291-L302 HydrophobicContact CG-CG 4.31Å; Y291-L302 PolarHBondContact N-O 3.04Å; P300-L302 PolarHBondContact O-N 2.67Å
303	I	94.8	Very high	91.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124	169.7	-53	179.8	0	0	0	108.9	I277 L278 R279 R289 M290 F299 P300 I305	I277-I303 PolarHBondContact O-N 3.27Å; L278-I303 HydrophobicContact CD2-CB 3.82Å; L278-I303 HydrophobicContact CD2-CD1 3.91Å; L278-I303 HydrophobicContact CD2-CG1 4.14Å; R279-I303 PolarHBondContact N-O 3Å; R289-I303 WeakPolarHBondContact O-CA 3.28Å; M290-I303 HydrophobicContact CE-CD1 4.35Å; M290-I303 HydrophobicContact CG-CD1 4.43Å; M290-I303 HydrophobicContact CG-CG1 4.29Å; M290-I303 HydrophobicContact CG-CG2 4.35Å; F299-I303 HydrophobicContact CE1-CD1 4.05Å; F299-I303 HydrophobicContact CZ-CD1 4.28Å; P300-I303 HydrophobicContact CB-CD1 4.32Å; P300-I303 HydrophobicContact CB-CG1 3.98Å; I303-I305 HydrophobicContact CG2-CG1 4.26Å
304	T	96	Very high	91	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133	168.6	-62.3	0	0	0	0	109.5	R279 A280 E282 Q284 Y288 R289 Y291	R279-T304 WeakPolarHBondContact CD-OG1 3.42Å; R279-T304 CarbonylContact O-C 3.42Å; R279-T304 WeakPolarHBondContact O-CA 3.37Å; A280-T304 WeakPolarHBondContact O-CG2 3.34Å; E282-T304 HydrophobicContact CB-CG2 4.41Å; Q284-T304 HydrophobicContact CG-CG2 3.87Å; Y288-T304 CarbonylContact C-O 3.34Å; Y288-T304 WeakPolarHBondContact CA-O 3.49Å; Y288-T304 WeakPolarHBondContact CB-O 3.39Å; R289-T304 PolarHBondContact N-O 3.02Å; R289-T304 PolarHBondContact O-N 3.49Å; Y291-T304 VanDerWaalsContact CE2-OG1 3.26Å; Y291-T304 WeakPolarHBondContact CE2-OG1 3.38Å; Y291-T304 PolarHBondContact OH-OG1 2.86Å
305	I	94	Very high	91.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.9	177	-54.8	162.7	0	0	0	107.8	V87 G89 R279 A280 I303 V324	V87-I305 HydrophobicContact CB-CD1 4.04Å; V87-I305 HydrophobicContact CG1-CD1 3.68Å; G89-I305 WeakPolarHBondContact CA-O 3.34Å; R279-I305 PolarHBondContact O-N 3.03Å; A280-I305 VanDerWaalsContact CA-O 3.31Å; A280-I305 WeakPolarHBondContact CA-O 3.49Å; A280-I305 VanDerWaalsContact CB-O 3.28Å; A280-I305 WeakPolarHBondContact CB-O 3.2Å; I303-I305 HydrophobicContact CG2-CG1 4.26Å; I305-V324 HydrophobicContact CD1-CG2 3.54Å; I305-V324 HydrophobicContact CG1-CG2 3.88Å; I305-V324 HydrophobicContact CG2-CG2 4.43Å
306	F	94.7	Very high	91.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	21%	0.207	C	C	.	.			trans	-126.9	136.7	178.6	-169	-109.2	0	0	0	109	D90 A283 G287 A308 Y311	D90-F306 HydrophobicContact CB-CD2 3.87Å; D90-F306 HydrophobicContact CB-CE2 3.72Å; D90-F306 WeakPolarHBondContact OD2-CD2 3.3Å; D90-F306 WeakPolarHBondContact OD2-CE2 3.49Å; A283-F306 HydrophobicContact CB-CD1 4.27Å; A283-F306 HydrophobicContact CB-CD2 4.43Å; A283-F306 HydrophobicContact CB-CE1 3.8Å; A283-F306 HydrophobicContact CB-CE2 3.99Å; A283-F306 HydrophobicContact CB-CZ 3.65Å; G287-F306 PolarHBondContact O-N 3.2Å; F306-A308 HydrophobicContact CE1-CB 3.91Å; F306-A308 WeakPolarHBondContact CE1-O 3.29Å; F306-A308 HydrophobicContact CZ-CB 3.96Å; F306-Y311 HydrophobicContact CE1-CD1 4.25Å; F306-Y311 HydrophobicContact CE1-CG 4.07Å; F306-Y311 AromaticContact CZ-CD1 3.75Å; F306-Y311 HydrophobicContact CZ-CD1 3.75Å; F306-Y311 HydrophobicContact CZ-CD2 4.11Å; F306-Y311 HydrophobicContact CZ-CE1 4.1Å; F306-Y311 HydrophobicContact CZ-CE2 4.46Å; F306-Y311 AromaticContact CZ-CG 3.76Å; F306-Y311 HydrophobicContact CZ-CG 3.76Å
307	S	95.1	Very high	91.4	Very high	15 Å²	15	30.2 Å²	30.2	11%	0.105	18%	0.177	C	C	.	.			trans	-126.6	6.7	-167.7	-64.8	0	0	0	0	114.9	G89 D90 P309	G89-S307 PolarHBondContact N-OG 2.85Å; D90-S307 CarbonylContact O-C 3.25Å; D90-S307 VanDerWaalsContact O-CA 3.32Å; D90-S307 WeakPolarHBondContact O-CA 3.39Å; D90-S307 WeakPolarHBondContact O-CB 3.43Å; D90-S307 PolarHBondContact O-N 2.83Å; S307-P309 VanDerWaalsContact O-CD 3.29Å; S307-P309 WeakPolarHBondContact O-CD 3.4Å
308	A	94.4	Very high	91.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	19%	0.187	C	C	.	.			trans	-95.5	100.4	169.2	0	0	0	0	0	110.3	D90 F306 Y311 N317	D90-A308 PolarHBondContact O-N 2.94Å; F306-A308 HydrophobicContact CE1-CB 3.91Å; F306-A308 WeakPolarHBondContact CE1-O 3.29Å; F306-A308 HydrophobicContact CZ-CB 3.96Å; A308-Y311 HydrophobicContact CB-CD2 4.09Å; A308-N317 PolarHBondContact O-ND2 2.81Å
309	P	92.1	Very high	90.3	Very high	13 Å²	13	34.4 Å²	34.4	8%	0.084	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	154	177.4	35	-38.4	0	0	0	111.4	Q94 D97 S307 Y311 V319	Q94-P309 PolarHBondContact NE2-O 3.41Å; D97-P309 HydrophobicContact CB-CG 3.67Å; D97-P309 VanDerWaalsContact CG-CG 3.42Å; D97-P309 WeakPolarHBondContact OD1-CG 3.31Å; S307-P309 VanDerWaalsContact O-CD 3.29Å; S307-P309 WeakPolarHBondContact O-CD 3.4Å; P309-Y311 PolarHBondContact O-N 3.22Å; P309-Y311 VanDerWaalsContact O-N 3.15Å; P309-V319 HydrophobicContact CB-CB 4.33Å; P309-V319 HydrophobicContact CB-CG2 3.45Å; P309-V319 VanDerWaalsContact CB-CG2 3.45Å; P309-V319 HydrophobicContact CG-CG2 3.73Å
310	N	92.1	Very high	88.9	Confident	53 Å²	53	33 Å²	33	28%	0.283	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.8	48.8	-175.3	-171.4	45.8	0	0	0	112.7	D313 N316 N317	N310-D313 WeakPolarHBondContact ND2-CA 3.24Å; N310-D313 PolarHBondContact ND2-O 3.49Å; N310-D313 VanDerWaalsContact O-CA 3.24Å; N310-D313 WeakPolarHBondContact O-CA 3.3Å; N310-D313 PolarHBondContact O-N 3.43Å; N310-N316 WeakPolarHBondContact OD1-CA 3.45Å; N310-N316 PolarHBondContact OD1-N 3.1Å; N310-N317 WeakPolarHBondContact CA-OD1 3.47Å; N310-N317 PolarHBondContact N-O 2.75Å; N310-N317 PolarHBondContact N-OD1 3.22Å
311	Y	92.5	Very high	86.7	Confident	8 Å²	8	41.4 Å²	41.4	3%	0.031	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-54.3	141.6	-169.5	178.1	-132.4	0	0	0	111.9	H92 R122 A283 F306 A308 P309 D313 V314 Y315 N317	H92-Y311 HydrophobicContact CB-CE2 3.91Å; H92-Y311 AromaticContact CD2-CE2 3.35Å; H92-Y311 WeakPolarHBondContact CD2-CE2 3.33Å; H92-Y311 AromaticContact CD2-CZ 3.59Å; H92-Y311 PolarHBondContact CD2-OH 3.03Å; H92-Y311 AromaticContact CG-CE2 3.85Å; H92-Y311 PolarHBondContact NE2-OH 3.15Å; R122-Y311 HydrophobicContact CB-CE2 4.24Å; R122-Y311 HydrophobicContact CG-CE2 4.43Å; R122-Y311 VanDerWaalsContact CZ-OH 3.26Å; R122-Y311 PolarHBondContact NH1-OH 3.21Å; A283-Y311 HydrophobicContact CB-CD1 4.23Å; F306-Y311 HydrophobicContact CE1-CD1 4.25Å; F306-Y311 HydrophobicContact CE1-CG 4.07Å; F306-Y311 AromaticContact CZ-CD1 3.75Å; F306-Y311 HydrophobicContact CZ-CD1 3.75Å; F306-Y311 HydrophobicContact CZ-CD2 4.11Å; F306-Y311 HydrophobicContact CZ-CE1 4.1Å; F306-Y311 HydrophobicContact CZ-CE2 4.46Å; F306-Y311 AromaticContact CZ-CG 3.76Å; F306-Y311 HydrophobicContact CZ-CG 3.76Å; A308-Y311 HydrophobicContact CB-CD2 4.09Å; P309-Y311 PolarHBondContact O-N 3.22Å; P309-Y311 VanDerWaalsContact O-N 3.15Å; Y311-D313 PolarHBondContact O-N 2.94Å; Y311-D313 VanDerWaalsContact O-N 3.09Å; Y311-V314 PolarHBondContact O-N 2.9Å; Y311-Y315 AromaticContact CD1-CD2 3.54Å; Y311-Y315 HydrophobicContact CD1-CD2 3.54Å; Y311-Y315 HydrophobicContact CD1-CE1 4.37Å; Y311-Y315 AromaticContact CD1-CE2 3.33Å; Y311-Y315 HydrophobicContact CD1-CE2 3.33Å; Y311-Y315 HydrophobicContact CD1-CG 4.12Å; Y311-Y315 AromaticContact CD1-CZ 3.76Å; Y311-Y315 HydrophobicContact CE1-CD2 4.39Å; Y311-Y315 AromaticContact CE1-CE2 3.75Å; Y311-Y315 HydrophobicContact CE1-CE2 3.75Å; Y311-Y315 HydrophobicContact CG-CD2 4.1Å; Y311-Y315 HydrophobicContact CG-CE2 4.28Å; Y311-Y315 WeakPolarHBondContact O-CB 3.39Å; Y311-Y315 VanDerWaalsContact O-CD2 3.3Å; Y311-Y315 WeakPolarHBondContact O-CD2 3.44Å; Y311-Y315 PolarHBondContact O-N 2.82Å; Y311-N317 WeakPolarHBondContact CB-OD1 3.36Å; Y311-N317 PolarHBondContact N-OD1 2.86Å
312	L	90.1	Very high	84.4	Confident	56 Å²	56	42.6 Å²	42.6	29%	0.293	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	53.8	22	-172	-49	-172.8	0	0	0	114.9	R122 V314 Y315 D425	R122-L312 HydrophobicContact CB-CD2 3.66Å; R122-L312 HydrophobicContact CG-CD2 4.32Å; L312-V314 HydrophobicContact CB-CG2 3.96Å; L312-V314 PolarHBondContact O-N 3.31Å; L312-V314 VanDerWaalsContact O-N 3.13Å; L312-Y315 HydrophobicContact CB-CD2 4.4Å; L312-Y315 HydrophobicContact CD1-CD2 4.44Å; L312-Y315 HydrophobicContact CD1-CE2 3.87Å; L312-Y315 HydrophobicContact CG-CD2 4.28Å; L312-Y315 HydrophobicContact CG-CE2 4.08Å; L312-D425 HydrophobicContact CD1-CB 4.22Å; L312-D425 WeakPolarHBondContact CD1-OD1 3.45Å
313	D	91.4	Very high	82.2	Confident	140 Å²	140	43.3 Å²	43.3	75%	0.749	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	59.7	8	-169.7	-70.6	-57.8	0	0	0	115.5	N310 Y311	N310-D313 WeakPolarHBondContact ND2-CA 3.24Å; N310-D313 PolarHBondContact ND2-O 3.49Å; N310-D313 VanDerWaalsContact O-CA 3.24Å; N310-D313 WeakPolarHBondContact O-CA 3.3Å; N310-D313 PolarHBondContact O-N 3.43Å; Y311-D313 PolarHBondContact O-N 2.94Å; Y311-D313 VanDerWaalsContact O-N 3.09Å
314	V	88.4	Confident	80	Confident	60 Å²	60	43.4 Å²	43.4	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.5	-19.7	-170.8	-62.1	0	0	0	0	116.4	Y311 L312 N316 I415 A421	Y311-V314 PolarHBondContact O-N 2.9Å; L312-V314 HydrophobicContact CB-CG2 3.96Å; L312-V314 PolarHBondContact O-N 3.31Å; L312-V314 VanDerWaalsContact O-N 3.13Å; V314-N316 VanDerWaalsContact C-N 3.28Å; V314-N316 PolarHBondContact O-N 3.35Å; V314-I415 HydrophobicContact CB-CD1 3.75Å; V314-I415 HydrophobicContact CG1-CD1 4.07Å; V314-I415 HydrophobicContact CG2-CD1 3.91Å; V314-A421 HydrophobicContact CG2-CB 4.45Å
315	Y	90	Very high	77.6	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.254	C	S	.	.	S	Bend	trans	-70.4	-23.6	-179.6	-87.8	-103.8	0	0	0	113.2	A283 Y311 L312 N317 F418 A421 K422 D425	A283-Y315 HydrophobicContact CB-CE1 4.06Å; Y311-Y315 AromaticContact CD1-CD2 3.54Å; Y311-Y315 HydrophobicContact CD1-CD2 3.54Å; Y311-Y315 HydrophobicContact CD1-CE1 4.37Å; Y311-Y315 AromaticContact CD1-CE2 3.33Å; Y311-Y315 HydrophobicContact CD1-CE2 3.33Å; Y311-Y315 HydrophobicContact CD1-CG 4.12Å; Y311-Y315 AromaticContact CD1-CZ 3.76Å; Y311-Y315 HydrophobicContact CE1-CD2 4.39Å; Y311-Y315 AromaticContact CE1-CE2 3.75Å; Y311-Y315 HydrophobicContact CE1-CE2 3.75Å; Y311-Y315 HydrophobicContact CG-CD2 4.1Å; Y311-Y315 HydrophobicContact CG-CE2 4.28Å; Y311-Y315 WeakPolarHBondContact O-CB 3.39Å; Y311-Y315 VanDerWaalsContact O-CD2 3.3Å; Y311-Y315 WeakPolarHBondContact O-CD2 3.44Å; Y311-Y315 PolarHBondContact O-N 2.82Å; L312-Y315 HydrophobicContact CB-CD2 4.4Å; L312-Y315 HydrophobicContact CD1-CD2 4.44Å; L312-Y315 HydrophobicContact CD1-CE2 3.87Å; L312-Y315 HydrophobicContact CG-CD2 4.28Å; L312-Y315 HydrophobicContact CG-CE2 4.08Å; Y315-N317 WeakPolarHBondContact CB-OD1 3.46Å; Y315-N317 PolarHBondContact O-N 3.28Å; Y315-F418 AromaticContact CD1-CD2 3.74Å; Y315-F418 HydrophobicContact CD1-CD2 3.74Å; Y315-F418 AromaticContact CD1-CE2 3.54Å; Y315-F418 HydrophobicContact CD1-CE2 3.54Å; Y315-F418 HydrophobicContact CD1-CG 4.41Å; Y315-F418 HydrophobicContact CD1-CZ 4.05Å; Y315-F418 HydrophobicContact CE1-CE2 4.15Å; Y315-F418 HydrophobicContact CE1-CZ 4.21Å; Y315-A421 HydrophobicContact CD1-CB 3.66Å; Y315-A421 HydrophobicContact CD2-CB 3.71Å; Y315-A421 HydrophobicContact CE1-CB 4.1Å; Y315-A421 HydrophobicContact CE2-CB 4.14Å; Y315-A421 HydrophobicContact CG-CB 3.5Å; Y315-K422 HydrophobicContact CE1-CB 3.87Å; Y315-K422 HydrophobicContact CE1-CG 4.48Å; Y315-D425 HydrophobicContact CE2-CB 4.06Å; Y315-D425 VanDerWaalsContact OH-CB 3.3Å; Y315-D425 WeakPolarHBondContact OH-CB 3.48Å; Y315-D425 PolarHBondContact OH-OD2 3.44Å
316	N	88.3	Confident	75.2	Confident	132 Å²	132	50 Å²	50	71%	0.706	26%	0.261	S	S	*	.			trans	54.8	17.3	-176.6	-166.9	77.9	0	0	0	114.7	N310 V314	N310-N316 WeakPolarHBondContact OD1-CA 3.45Å; N310-N316 PolarHBondContact OD1-N 3.1Å; V314-N316 VanDerWaalsContact C-N 3.28Å; V314-N316 PolarHBondContact O-N 3.35Å
317	N	87.2	Confident	72.4	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.027	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-68.4	156.3	175.4	68.5	-70.5	0	0	0	111.7	D285 A308 N310 Y311 Y315 F418	D285-N317 WeakPolarHBondContact O-CA 3.14Å; A308-N317 PolarHBondContact O-ND2 2.81Å; N310-N317 WeakPolarHBondContact CA-OD1 3.47Å; N310-N317 PolarHBondContact N-O 2.75Å; N310-N317 PolarHBondContact N-OD1 3.22Å; Y311-N317 WeakPolarHBondContact CB-OD1 3.36Å; Y311-N317 PolarHBondContact N-OD1 2.86Å; Y315-N317 WeakPolarHBondContact CB-OD1 3.46Å; Y315-N317 PolarHBondContact O-N 3.28Å; N317-F418 HydrophobicContact CB-CD2 3.88Å; N317-F418 HydrophobicContact CB-CE2 3.84Å
318	K	79.1	Confident	69.4	Low	132 Å²	132	64.2 Å²	64.2	57%	0.574	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-79.9	156.1	-173.3	-61.5	176.6	-173.4	168.8	0	112.8	D285 T320	D285-K318 PolarHBondContact O-N 2.95Å; K318-T320 PolarHBondContact O-N 2.87Å
319	V	66.6	Low	66.5	Low	64 Å²	64	68 Å²	68	39%	0.388	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-61.1	131	151.7	174.3	0	0	0	0	107.3	P309 E321	P309-V319 HydrophobicContact CB-CB 4.33Å; P309-V319 HydrophobicContact CB-CG2 3.45Å; P309-V319 VanDerWaalsContact CB-CG2 3.45Å; P309-V319 HydrophobicContact CG-CG2 3.73Å; V319-E321 PolarHBondContact O-N 3.41Å
320	T	55.9	Low	63.4	Low	5 Å²	5	70.3 Å²	70.3	3%	0.031	37%	0.37	C	S	.	.			trans	-64.8	103.5	167.7	-104.8	0	0	0	0	109.3	G287 K318 M322	G287-T320 VanDerWaalsContact CA-OG1 3.24Å; G287-T320 WeakPolarHBondContact CA-OG1 3.45Å; G287-T320 PolarHBondContact O-OG1 2.75Å; K318-T320 PolarHBondContact O-N 2.87Å; T320-M322 HydrophobicContact CG2-CB 4.31Å; T320-M322 WeakPolarHBondContact CG2-O 3.3Å; T320-M322 PolarHBondContact O-N 3.17Å
321	E	45.6	Very low	60.4	Low	181 Å²	181	73.1 Å²	73.1	85%	0.846	39%	0.394	S	S	*	.	S	Bend	trans	-64.3	-29.4	168.8	-69	-169.6	154.3	0	0	110.7	V319 L323	V319-E321 PolarHBondContact O-N 3.41Å; E321-L323 PolarHBondContact O-N 3.29Å
322	M	47.9	Very low	57.3	Low	24 Å²	24	77.5 Å²	77.5	12%	0.118	42%	0.418	C	S	.	.			trans	-74.1	54.4	170.9	-166.4	-175.3	73.9	0	0	111.5	Y288 M290 T320 V324 I329	Y288-M322 HydrophobicContact CD1-CB 4.39Å; Y288-M322 HydrophobicContact CD1-CE 4.11Å; Y288-M322 HydrophobicContact CD2-CE 3.44Å; Y288-M322 VanDerWaalsContact CD2-CE 3.44Å; Y288-M322 HydrophobicContact CD2-SD 4.24Å; Y288-M322 HydrophobicContact CE1-CB 4.43Å; Y288-M322 HydrophobicContact CE2-CE 4Å; Y288-M322 HydrophobicContact CE2-SD 4.2Å; Y288-M322 HydrophobicContact CG-CE 3.51Å; M290-M322 HydrophobicContact CE-CE 4.04Å; M290-M322 HydrophobicContact CE-SD 3.71Å; T320-M322 HydrophobicContact CG2-CB 4.31Å; T320-M322 WeakPolarHBondContact CG2-O 3.3Å; T320-M322 PolarHBondContact O-N 3.17Å; M322-V324 HydrophobicContact CE-CG1 4.29Å; M322-V324 HydrophobicContact CE-CG2 3.98Å; M322-V324 HydrophobicContact CG-CG1 4.31Å; M322-V324 HydrophobicContact CG-CG2 4.44Å; M322-V324 WeakPolarHBondContact O-CA 3.34Å; M322-V324 WeakPolarHBondContact O-CG2 3.5Å; M322-V324 PolarHBondContact O-N 3.03Å; M322-I329 HydrophobicContact CG-CD1 3.99Å; M322-I329 HydrophobicContact SD-CB 4.38Å; M322-I329 HydrophobicContact SD-CD1 3.73Å; M322-I329 HydrophobicContact SD-CG1 4.5Å
323	L	50.7	Low	54.3	Low	15 Å²	15	82.3 Å²	82.3	8%	0.079	44%	0.444	C	S	.	.			trans	-61.6	105.6	165	-93.9	167.1	0	0	0	107.2	T86 L101 V104 E321 N325	T86-L323 HydrophobicContact CG2-CB 3.96Å; T86-L323 HydrophobicContact CG2-CD2 3.7Å; T86-L323 HydrophobicContact CG2-CG 4.31Å; L101-L323 HydrophobicContact CG-CD1 4.3Å; L101-L323 HydrophobicContact CG-CD2 4.24Å; V104-L323 HydrophobicContact CB-CD1 3.83Å; V104-L323 HydrophobicContact CG1-CD1 3.87Å; E321-L323 PolarHBondContact O-N 3.29Å; L323-N325 PolarHBondContact O-N 2.56Å
324	V	47.8	Very low	51.3	Low	4 Å²	4	84.8 Å²	84.8	2%	0.024	45%	0.451	C	S	.	.			trans	-74.8	92	-137.6	-160.7	0	0	0	0	113.3	I305 M322 V326	I305-V324 HydrophobicContact CD1-CG2 3.54Å; I305-V324 HydrophobicContact CG1-CG2 3.88Å; I305-V324 HydrophobicContact CG2-CG2 4.43Å; M322-V324 HydrophobicContact CE-CG1 4.29Å; M322-V324 HydrophobicContact CE-CG2 3.98Å; M322-V324 HydrophobicContact CG-CG1 4.31Å; M322-V324 HydrophobicContact CG-CG2 4.44Å; M322-V324 WeakPolarHBondContact O-CA 3.34Å; M322-V324 WeakPolarHBondContact O-CG2 3.5Å; M322-V324 PolarHBondContact O-N 3.03Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 HydrophobicContact CB-CG2 4.3Å; V324-V326 HydrophobicContact CG1-CB 4.31Å; V324-V326 HydrophobicContact CG1-CG2 3.84Å; V324-V326 VanDerWaalsContact O-CG2 3.24Å; V324-V326 WeakPolarHBondContact O-CG2 3.47Å; V324-V326 PolarHBondContact O-N 2.69Å; V324-V326 VanDerWaalsContact O-N 3.11Å
325	N	46.6	Very low	48.4	Very low	113 Å²	113	89 Å²	89	60%	0.604	47%	0.471	S	S	*	.			trans	-72.4	92.9	154	-80	-48.4	0	0	0	107.9	L323 L327	L323-N325 PolarHBondContact O-N 2.56Å; N325-L327 PolarHBondContact O-N 2.92Å
326	V	43.2	Very low	45.3	Very low	26 Å²	26	92.4 Å²	92.4	16%	0.158	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	4.2	-160.8	-164.3	0	0	0	0	116.4	M191 F195 F299 V324	M191-V326 HydrophobicContact CE-CG2 3.77Å; F195-V326 HydrophobicContact CD1-CG1 4.48Å; F195-V326 HydrophobicContact CE1-CG1 3.66Å; F195-V326 HydrophobicContact CE2-CG1 3.96Å; F195-V326 HydrophobicContact CZ-CB 4.47Å; F195-V326 HydrophobicContact CZ-CG1 3.36Å; F299-V326 HydrophobicContact CZ-CG1 4.35Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 HydrophobicContact CB-CG2 4.3Å; V324-V326 HydrophobicContact CG1-CB 4.31Å; V324-V326 HydrophobicContact CG1-CG2 3.84Å; V324-V326 VanDerWaalsContact O-CG2 3.24Å; V324-V326 WeakPolarHBondContact O-CG2 3.47Å; V324-V326 PolarHBondContact O-N 2.69Å; V324-V326 VanDerWaalsContact O-N 3.11Å
327	L	35.7	Very low	42.4	Very low	166 Å²	166	90.7 Å²	90.7	87%	0.869	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.8	-169.1	-66.8	173.9	0	0	0	116.2	N325	N325-L327 PolarHBondContact O-N 2.92Å
328	N	31.9	Very low	39.6	Very low	150 Å²	150	97 Å²	97	80%	0.802	53%	0.534	S	S	*	.	S	Bend	trans	-127.6	-0.6	-154.1	-105.9	13.5	0	0	0	119.7
329	I	33.2	Very low	37.1	Very low	79 Å²	79	97.8 Å²	97.8	41%	0.405	54%	0.54	S	S	.	.			trans	-131.1	122.2	-174	-64.7	-176.4	0	0	0	112.2	M290 M322	M290-I329 HydrophobicContact CE-CB 3.87Å; M290-I329 HydrophobicContact CE-CG2 3.65Å; M290-I329 HydrophobicContact SD-CG2 4.07Å; M322-I329 HydrophobicContact CG-CD1 3.99Å; M322-I329 HydrophobicContact SD-CB 4.38Å; M322-I329 HydrophobicContact SD-CD1 3.73Å; M322-I329 HydrophobicContact SD-CG1 4.5Å
330	C	26.9	Very low	35.2	Very low	63 Å²	63	102.2 Å²	102.2	43%	0.426	56%	0.561	S	S	.	*			trans	-164.2	110	173.8	-99.3	0	0	0	0	111.9
331	S	29.2	Very low	34	Very low	111 Å²	111	104.7 Å²	104.7	78%	0.776	59%	0.588	S	S	*	*			trans	-163.3	140.3	159.2	53.7	0	0	0	0	108.8
332	D	26.6	Very low	33.1	Very low	100 Å²	100	106 Å²	106	54%	0.535	59%	0.592	S	S	.	*			trans	-111.8	150	-176.3	-28.9	-78.1	0	0	0	109.6	K293	K293-D332 VanDerWaalsContact CD-OD1 3.28Å; K293-D332 WeakPolarHBondContact CD-OD1 3.36Å; K293-D332 WeakPolarHBondContact CE-OD1 3.41Å; K293-D332 WeakPolarHBondContact CE-OD2 3.44Å; K293-D332 IonicContact NZ-OD1 3.44Å; K293-D332 PolarHBondContact NZ-OD1 2.95Å; K293-D332 IonicContact NZ-OD2 2.6Å; K293-D332 PolarHBondContact NZ-OD2 3.05Å
333	D	28.1	Very low	32.4	Very low	158 Å²	158	111.9 Å²	111.9	85%	0.845	62%	0.623	S	S	*	*			trans	179.7	132.2	138.6	-96.9	-25	0	0	0	112.1
334	E	28.9	Very low	31.6	Very low	191 Å²	191	114.1 Å²	114.1	89%	0.893	65%	0.65	S	S	*	*			trans	147.2	141.6	144.7	-79.9	-172.9	178.2	0	0	112.4
335	L	26	Very low	30.7	Very low	148 Å²	148	118.1 Å²	118.1	78%	0.775	68%	0.684	S	S	*	*			trans	-145.8	132.2	-156.2	-76.6	164.2	0	0	0	114.7
336	G	26.1	Very low	30.4	Very low	73 Å²	73	119.5 Å²	119.5	75%	0.753	70%	0.696	S	S	*	*			trans	78.2	166.1	155.6	0	0	0	0	0	119.4
337	S	27.8	Very low	30.3	Very low	96 Å²	96	123 Å²	123	67%	0.671	73%	0.727	S	S	*	*			cis	176.6	136.5	-19.2	46.2	0	0	0	0	113.2
338	E	27.7	Very low	30.8	Very low	137 Å²	137	118.3 Å²	118.3	64%	0.64	71%	0.713	S	S	*	*			trans	68.3	168.5	146.9	-62	166	-136.5	0	0	120	K243	K243-E338 VanDerWaalsContact CE-OE1 3.26Å; K243-E338 WeakPolarHBondContact CE-OE1 3.31Å; K243-E338 VanDerWaalsContact CE-OE2 3.31Å; K243-E338 WeakPolarHBondContact CE-OE2 3.39Å; K243-E338 IonicContact NZ-OE1 3.76Å; K243-E338 IonicContact NZ-OE2 3.15Å; K243-E338 PolarHBondContact NZ-OE2 3.11Å
339	E	27.3	Very low	31.2	Very low	149 Å²	149	114.3 Å²	114.3	70%	0.696	70%	0.7	S	S	*	*			cis	-172.3	166.6	-29.6	-97.9	172.3	-169.2	0	0	107.1	K243	K243-E339 IonicContact NZ-OE1 2.7Å; K243-E339 PolarHBondContact NZ-OE1 2.82Å; K243-E339 IonicContact NZ-OE2 3.33Å; K243-E339 PolarHBondContact NZ-OE2 2.85Å
340	D	26.9	Very low	31.5	Very low	157 Å²	157	121.8 Å²	121.8	84%	0.84	72%	0.724	S	S	*	*			cis	-165.2	167.1	-20.2	173.6	48.2	0	0	0	109.8
341	G	29.2	Very low	32.4	Very low	58 Å²	58	126.3 Å²	126.3	60%	0.598	74%	0.736	S	S	*	*			trans	97	157.2	154.8	0	0	0	0	0	118.4
342	F	28	Very low	33.1	Very low	209 Å²	209	123.8 Å²	123.8	92%	0.917	71%	0.712	S	S	*	*			cis	-159.1	172.1	-4.1	-171.9	-99.7	0	0	0	111
343	D	32.6	Very low	33.7	Very low	147 Å²	147	123.4 Å²	123.4	79%	0.786	71%	0.713	S	S	*	*			trans	-118.9	171.4	-168.5	178.4	44.5	0	0	0	115.8
344	G	32.8	Very low	34.3	Very low	62 Å²	62	121.9 Å²	121.9	64%	0.639	70%	0.704	S	S	*	*			trans	149.6	115.3	148.5	0	0	0	0	0	117.9
345	A	30.5	Very low	34.8	Very low	88 Å²	88	118.1 Å²	118.1	73%	0.727	68%	0.681	S	S	*	*			trans	-157.8	52.6	174.7	0	0	0	0	0	117.6	A347	A345-A347 VanDerWaalsContact C-N 3.27Å; A345-A347 PolarHBondContact O-N 2.89Å
346	T	39.1	Very low	35.2	Very low	142 Å²	142	115 Å²	115	87%	0.871	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	38.6	-169.2	-29	0	0	0	0	117
347	A	41.2	Very low	35.8	Very low	98 Å²	98	119 Å²	119	81%	0.81	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-16.3	177.6	0	0	0	0	0	114.7	A345	A345-A347 VanDerWaalsContact C-N 3.27Å; A345-A347 PolarHBondContact O-N 2.89Å
348	A	46.6	Very low	36.2	Very low	69 Å²	69	120.6 Å²	120.6	57%	0.57	66%	0.662	S	S	*	*	S	Bend	trans	-80.1	-25.2	-170	0	0	0	0	0	115.1	R350 K351	A348-R350 PolarHBondContact O-N 3.23Å; A348-K351 PolarHBondContact O-N 3.08Å
349	A	39.6	Very low	36.7	Very low	65 Å²	65	119.3 Å²	119.3	54%	0.537	65%	0.651	S	S	.	*	H	α-helix	trans	-54.9	-42.5	-163	0	0	0	0	0	114.7	K351 E352	A349-K351 VanDerWaalsContact C-N 3.3Å; A349-K351 PolarHBondContact O-N 3.33Å; A349-E352 PolarHBondContact O-N 3.07Å
350	R	41.4	Very low	37.1	Very low	237 Å²	237	114.7 Å²	114.7	89%	0.894	64%	0.639	S	S	*	*	H	α-helix	trans	-70.9	-20.4	-179.8	-74.9	-174.8	172.3	-174.3	-2.4	114.2	A348	A348-R350 PolarHBondContact O-N 3.23Å
351	K	44.8	Very low	37.7	Very low	158 Å²	158	113.7 Å²	113.7	69%	0.687	63%	0.632	S	S	*	*	H	α-helix	trans	-88.2	-14.7	179.7	-146.5	166.8	-169.6	171.2	0	112.9	A348 A349	A348-K351 PolarHBondContact O-N 3.08Å; A349-K351 VanDerWaalsContact C-N 3.3Å; A349-K351 PolarHBondContact O-N 3.33Å
352	E	44	Very low	38.3	Very low	58 Å²	58	113 Å²	113	27%	0.271	62%	0.624	S	S	.	*	H	α-helix	trans	-92.5	-31.9	-172.7	-166.1	69.2	158.7	0	0	113.6	A349 I354 R355 N356 R359	A349-E352 PolarHBondContact O-N 3.07Å; E352-I354 VanDerWaalsContact C-N 3.34Å; E352-I354 PolarHBondContact O-N 3.42Å; E352-R355 CarbonylContact O-C 3.54Å; E352-R355 WeakPolarHBondContact O-CB 3.44Å; E352-R355 PolarHBondContact O-N 3.25Å; E352-R355 VanDerWaalsContact O-N 3.08Å; E352-R355 WeakPolarHBondContact OE2-CD 3.34Å; E352-R355 IonicContact OE2-CZ 3.77Å; E352-R355 IonicContact OE2-NE 2.67Å; E352-R355 IonicContact OE2-NH1 3.34Å; E352-R355 PolarHBondContact OE2-NH1 3.42Å; E352-N356 WeakPolarHBondContact O-CB 3.45Å; E352-N356 VanDerWaalsContact O-CG 3.25Å; E352-N356 PolarHBondContact O-N 3.39Å; E352-R359 VanDerWaalsContact CD-NH1 3.27Å; E352-R359 IonicContact OE1-CZ 3.57Å; E352-R359 IonicContact OE1-NH1 2.68Å; E352-R359 PolarHBondContact OE1-NH1 3.23Å; E352-R359 IonicContact OE2-NH1 2.71Å; E352-R359 PolarHBondContact OE2-NH1 3.19Å
353	V	38.1	Very low	38.9	Very low	92 Å²	92	107.9 Å²	107.9	56%	0.558	60%	0.601	S	S	*	*	H	α-helix	trans	-56.5	-43.9	-179	178.9	0	0	0	0	112.8
354	I	41	Very low	39.3	Very low	126 Å²	126	106.2 Å²	106.2	65%	0.646	59%	0.59	S	S	*	*	H	α-helix	trans	-70.1	-40.6	178	-60.7	174.9	0	0	0	110.5	E352 N356 K357	E352-I354 VanDerWaalsContact C-N 3.34Å; E352-I354 PolarHBondContact O-N 3.42Å; I354-N356 VanDerWaalsContact C-N 3.29Å; I354-N356 PolarHBondContact O-N 3.32Å; I354-K357 PolarHBondContact O-N 3.13Å
355	R	39.9	Very low	39.7	Very low	112 Å²	112	106.7 Å²	106.7	42%	0.423	59%	0.588	S	S	.	*	H	α-helix	trans	-64.5	-34.7	178.2	-158.5	-174.8	-72.1	147.8	-18.4	111.8	E352 R359	E352-R355 CarbonylContact O-C 3.54Å; E352-R355 WeakPolarHBondContact O-CB 3.44Å; E352-R355 PolarHBondContact O-N 3.25Å; E352-R355 VanDerWaalsContact O-N 3.08Å; E352-R355 WeakPolarHBondContact OE2-CD 3.34Å; E352-R355 IonicContact OE2-CZ 3.77Å; E352-R355 IonicContact OE2-NE 2.67Å; E352-R355 IonicContact OE2-NH1 3.34Å; E352-R355 PolarHBondContact OE2-NH1 3.42Å; R355-R359 WeakPolarHBondContact O-CB 3.42Å; R355-R359 VanDerWaalsContact O-CG 3.25Å; R355-R359 WeakPolarHBondContact O-CG 3.17Å; R355-R359 PolarHBondContact O-N 2.68Å
356	N	34.9	Very low	40.7	Very low	81 Å²	81	109.3 Å²	109.3	43%	0.433	58%	0.579	S	S	.	*	H	α-helix	trans	-66.8	-38	179.4	-77.1	-11.2	0	0	0	113.2	E352 I354 R359 A360	E352-N356 WeakPolarHBondContact O-CB 3.45Å; E352-N356 VanDerWaalsContact O-CG 3.25Å; E352-N356 PolarHBondContact O-N 3.39Å; I354-N356 VanDerWaalsContact C-N 3.29Å; I354-N356 PolarHBondContact O-N 3.32Å; N356-R359 PolarHBondContact O-N 2.75Å; N356-A360 WeakPolarHBondContact O-CB 3.29Å; N356-A360 PolarHBondContact O-N 3.3Å
357	K	37.6	Very low	41.3	Very low	159 Å²	159	103.9 Å²	103.9	69%	0.691	55%	0.546	S	S	*	.	H	α-helix	trans	-63.3	-44.2	176.9	-70.2	-173.5	175.4	-175.5	0	112.1	I354 A360	I354-K357 PolarHBondContact O-N 3.13Å; K357-A360 PolarHBondContact O-N 3.19Å
358	I	36.1	Very low	41.8	Very low	129 Å²	129	105.4 Å²	105.4	66%	0.662	53%	0.534	S	S	*	.	H	α-helix	trans	-67.3	-42.7	175.9	-61	175.7	0	0	0	110.7	A360 G362	I358-A360 VanDerWaalsContact C-N 3.34Å; I358-A360 PolarHBondContact O-N 3.35Å; I358-G362 PolarHBondContact O-N 3.29Å
359	R	38.6	Very low	42.3	Very low	109 Å²	109	104.2 Å²	104.2	41%	0.411	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-35.4	176.6	-78	170.1	167.4	173.8	-5.5	113.1	E352 R355 N356 G362 K363	E352-R359 VanDerWaalsContact CD-NH1 3.27Å; E352-R359 IonicContact OE1-CZ 3.57Å; E352-R359 IonicContact OE1-NH1 2.68Å; E352-R359 PolarHBondContact OE1-NH1 3.23Å; E352-R359 IonicContact OE2-NH1 2.71Å; E352-R359 PolarHBondContact OE2-NH1 3.19Å; R355-R359 WeakPolarHBondContact O-CB 3.42Å; R355-R359 VanDerWaalsContact O-CG 3.25Å; R355-R359 WeakPolarHBondContact O-CG 3.17Å; R355-R359 PolarHBondContact O-N 2.68Å; N356-R359 PolarHBondContact O-N 2.75Å; R359-G362 PolarHBondContact O-N 3.26Å; R359-K363 VanDerWaalsContact O-CB 3.28Å; R359-K363 WeakPolarHBondContact O-CB 3.14Å; R359-K363 VanDerWaalsContact O-CG 3.26Å; R359-K363 WeakPolarHBondContact O-CG 3.19Å; R359-K363 PolarHBondContact O-N 3.16Å
360	A	36	Very low	43.3	Very low	53 Å²	53	101.5 Å²	101.5	44%	0.438	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-47.8	-177.9	0	0	0	0	0	112.3	N356 K357 I358 K363 M364	N356-A360 WeakPolarHBondContact O-CB 3.29Å; N356-A360 PolarHBondContact O-N 3.3Å; K357-A360 PolarHBondContact O-N 3.19Å; I358-A360 VanDerWaalsContact C-N 3.34Å; I358-A360 PolarHBondContact O-N 3.35Å; A360-K363 PolarHBondContact O-N 2.98Å; A360-M364 WeakPolarHBondContact O-CG 3.3Å; A360-M364 PolarHBondContact O-N 2.87Å
361	I	39.2	Very low	44.2	Very low	136 Å²	136	93.4 Å²	93.4	70%	0.697	47%	0.472	S	S	*	.	H	α-helix	trans	-64.7	-46.1	178.7	-63.7	163.9	0	0	0	110.4	K363 M364 A365	I361-K363 VanDerWaalsContact C-N 3.33Å; I361-K363 PolarHBondContact O-N 2.98Å; I361-M364 PolarHBondContact O-N 3.25Å; I361-A365 PolarHBondContact O-N 2.7Å
362	G	41.9	Very low	45	Very low	42 Å²	42	94.9 Å²	94.9	43%	0.433	47%	0.474	S	S	.	.	H	α-helix	trans	-64.1	-33.6	176.5	0	0	0	0	0	114	I358 R359 R366	I358-G362 PolarHBondContact O-N 3.29Å; R359-G362 PolarHBondContact O-N 3.26Å; G362-R366 WeakPolarHBondContact O-CB 2.97Å; G362-R366 PolarHBondContact O-N 3.15Å
363	K	40.9	Very low	46.4	Very low	102 Å²	102	96.9 Å²	96.9	44%	0.443	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-47.5	173.7	-81.9	-172.8	169.4	-165.6	0	111.2	R359 A360 I361 A365 R366 V367 S396	R359-K363 VanDerWaalsContact O-CB 3.28Å; R359-K363 WeakPolarHBondContact O-CB 3.14Å; R359-K363 VanDerWaalsContact O-CG 3.26Å; R359-K363 WeakPolarHBondContact O-CG 3.19Å; R359-K363 PolarHBondContact O-N 3.16Å; A360-K363 PolarHBondContact O-N 2.98Å; I361-K363 VanDerWaalsContact C-N 3.33Å; I361-K363 PolarHBondContact O-N 2.98Å; K363-A365 PolarHBondContact O-N 3.35Å; K363-R366 PolarHBondContact O-N 2.76Å; K363-V367 WeakPolarHBondContact O-CB 3.42Å; K363-V367 WeakPolarHBondContact O-CG2 3.42Å; K363-V367 PolarHBondContact O-N 3.44Å; K363-S396 WeakPolarHBondContact CE-OG 3.46Å
364	M	41	Very low	47.9	Very low	113 Å²	113	93.5 Å²	93.5	56%	0.557	46%	0.461	S	S	*	.	H	α-helix	trans	-58.6	-47.6	-179.3	-72.5	-68.2	-81.3	0	0	112.2	A360 I361 R366 V367 F368	A360-M364 WeakPolarHBondContact O-CG 3.3Å; A360-M364 PolarHBondContact O-N 2.87Å; I361-M364 PolarHBondContact O-N 3.25Å; M364-R366 VanDerWaalsContact C-N 3.31Å; M364-R366 PolarHBondContact O-N 3.03Å; M364-V367 PolarHBondContact O-N 3.38Å; M364-F368 HydrophobicContact CE-CE2 4.05Å; M364-F368 HydrophobicContact CE-CZ 4.43Å; M364-F368 WeakPolarHBondContact O-CD2 3.07Å; M364-F368 PolarHBondContact O-N 3.28Å
365	A	41.5	Very low	49.2	Very low	71 Å²	71	90.9 Å²	90.9	59%	0.587	45%	0.454	S	S	*	.	H	α-helix	trans	-60.2	-40.4	177.1	0	0	0	0	0	112.6	I361 K363 S369	I361-A365 PolarHBondContact O-N 2.7Å; K363-A365 PolarHBondContact O-N 3.35Å; A365-S369 PolarHBondContact O-N 3.23Å
366	R	52.2	Low	50.7	Low	144 Å²	144	93.1 Å²	93.1	54%	0.543	47%	0.469	S	S	.	.	H	α-helix	trans	-68.5	-40.3	177.4	-171.3	169.8	-67.5	170.2	-1	112.4	G362 K363 M364 F368 S369 V370	G362-R366 WeakPolarHBondContact O-CB 2.97Å; G362-R366 PolarHBondContact O-N 3.15Å; K363-R366 PolarHBondContact O-N 2.76Å; M364-R366 VanDerWaalsContact C-N 3.31Å; M364-R366 PolarHBondContact O-N 3.03Å; R366-F368 VanDerWaalsContact C-N 3.33Å; R366-F368 PolarHBondContact O-N 3.35Å; R366-S369 PolarHBondContact O-N 2.98Å; R366-V370 HydrophobicContact CG-CG2 4.32Å; R366-V370 WeakPolarHBondContact O-CB 3.43Å; R366-V370 WeakPolarHBondContact O-CG2 3.48Å; R366-V370 PolarHBondContact O-N 3.11Å
367	V	51.6	Low	52.4	Low	27 Å²	27	90.8 Å²	90.8	16%	0.164	46%	0.46	C	S	.	.	H	α-helix	trans	-56.6	-44.9	176	163.3	0	0	0	0	111.3	K363 M364 V370 L371 L395	K363-V367 WeakPolarHBondContact O-CB 3.42Å; K363-V367 WeakPolarHBondContact O-CG2 3.42Å; K363-V367 PolarHBondContact O-N 3.44Å; M364-V367 PolarHBondContact O-N 3.38Å; V367-V370 PolarHBondContact O-N 3.35Å; V367-L371 HydrophobicContact CG1-CD1 3.89Å; V367-L371 WeakPolarHBondContact O-CB 3.36Å; V367-L371 WeakPolarHBondContact O-CG 3.31Å; V367-L371 PolarHBondContact O-N 2.66Å; V367-L395 HydrophobicContact CB-CB 4.36Å; V367-L395 HydrophobicContact CG1-CB 4.16Å; V367-L395 HydrophobicContact CG1-CD1 3.98Å; V367-L395 HydrophobicContact CG2-CB 3.84Å
368	F	51.2	Low	54	Low	131 Å²	131	84 Å²	84	58%	0.575	43%	0.431	S	S	*	.	H	α-helix	trans	-71.8	-34.3	-178.8	-72.3	-63.5	0	0	0	114.5	M364 R366 L371 R372	M364-F368 HydrophobicContact CE-CE2 4.05Å; M364-F368 HydrophobicContact CE-CZ 4.43Å; M364-F368 WeakPolarHBondContact O-CD2 3.07Å; M364-F368 PolarHBondContact O-N 3.28Å; R366-F368 VanDerWaalsContact C-N 3.33Å; R366-F368 PolarHBondContact O-N 3.35Å; F368-L371 HydrophobicContact CD1-CD1 4.41Å; F368-R372 PolarHBondContact O-N 2.89Å
369	S	57.5	Low	55.5	Low	44 Å²	44	84 Å²	84	31%	0.308	43%	0.432	S	S	.	.	H	α-helix	trans	-65.4	-46.9	171.4	134.5	0	0	0	0	110.6	A365 R366 L371 R372 E373	A365-S369 PolarHBondContact O-N 3.23Å; R366-S369 PolarHBondContact O-N 2.98Å; S369-L371 PolarHBondContact O-N 3.49Å; S369-R372 WeakPolarHBondContact O-CB 3.31Å; S369-R372 PolarHBondContact O-N 3.17Å; S369-E373 WeakPolarHBondContact O-CB 3.36Å; S369-E373 VanDerWaalsContact O-CD 3.28Å; S369-E373 PolarHBondContact O-N 3.36Å; S369-E373 PolarHBondContact OG-OE1 3.26Å; S369-E373 PolarHBondContact OG-OE2 3.11Å
370	V	60.6	Low	57	Low	7 Å²	7	82.6 Å²	82.6	4%	0.042	44%	0.435	C	S	.	.	H	α-helix	trans	-61.7	-42.1	-179.9	174.2	0	0	0	0	112.3	R366 V367 R372 E373 E374 L395 L402	R366-V370 HydrophobicContact CG-CG2 4.32Å; R366-V370 WeakPolarHBondContact O-CB 3.43Å; R366-V370 WeakPolarHBondContact O-CG2 3.48Å; R366-V370 PolarHBondContact O-N 3.11Å; V367-V370 PolarHBondContact O-N 3.35Å; V370-R372 PolarHBondContact O-N 3.4Å; V370-E373 PolarHBondContact O-N 3.15Å; V370-E374 HydrophobicContact CG1-CB 4.4Å; V370-E374 HydrophobicContact CG1-CG 4.33Å; V370-E374 WeakPolarHBondContact O-CB 3.27Å; V370-E374 PolarHBondContact O-N 3.09Å; V370-L395 HydrophobicContact CG1-CD2 3.89Å; V370-L402 HydrophobicContact CG1-CD1 3.41Å; V370-L402 VanDerWaalsContact CG1-CD1 3.41Å
371	L	59.5	Low	58.5	Low	67 Å²	67	80.2 Å²	80.2	35%	0.351	42%	0.415	S	S	.	.	H	α-helix	trans	-60.6	-28.1	175.4	-81	169.3	0	0	0	113.6	V367 F368 S369 V378 L395	V367-L371 HydrophobicContact CG1-CD1 3.89Å; V367-L371 WeakPolarHBondContact O-CB 3.36Å; V367-L371 WeakPolarHBondContact O-CG 3.31Å; V367-L371 PolarHBondContact O-N 2.66Å; F368-L371 HydrophobicContact CD1-CD1 4.41Å; S369-L371 PolarHBondContact O-N 3.49Å; L371-V378 HydrophobicContact CD2-CG1 4.45Å; L371-V378 HydrophobicContact CD2-CG2 4.4Å; L371-L395 HydrophobicContact CD1-CD1 4.09Å; L371-L395 HydrophobicContact CD2-CD1 3.75Å; L371-L395 HydrophobicContact CD2-CD2 3.87Å; L371-L395 HydrophobicContact CD2-CG 4.49Å; L371-L395 HydrophobicContact CG-CD1 3.87Å; L371-L395 HydrophobicContact CG-CD2 4.02Å
372	R	61.7	Low	59.9	Low	189 Å²	189	77.9 Å²	77.9	71%	0.713	40%	0.4	S	S	*	.	H	α-helix	trans	-88.7	-34.9	179.7	-173.6	-174.6	66.2	161.7	0.8	112.7	F368 S369 V370	F368-R372 PolarHBondContact O-N 2.89Å; S369-R372 WeakPolarHBondContact O-CB 3.31Å; S369-R372 PolarHBondContact O-N 3.17Å; V370-R372 PolarHBondContact O-N 3.4Å
373	E	72.8	Confident	61	Low	100 Å²	100	79.3 Å²	79.3	47%	0.467	42%	0.415	S	S	.	.	H	α-helix	trans	-95.9	-20.9	-171.9	-73.2	141.5	-140.1	0	0	113.5	S369 V370	S369-E373 WeakPolarHBondContact O-CB 3.36Å; S369-E373 VanDerWaalsContact O-CD 3.28Å; S369-E373 PolarHBondContact O-N 3.36Å; S369-E373 PolarHBondContact OG-OE1 3.26Å; S369-E373 PolarHBondContact OG-OE2 3.11Å; V370-E373 PolarHBondContact O-N 3.15Å
374	E	71.4	Confident	61.9	Low	21 Å²	21	78.4 Å²	78.4	10%	0.098	41%	0.414	C	S	.	.	S	Bend	trans	-122	33.1	-178.3	-56.6	-64.8	143.8	0	0	112.4	V370 E376 S377 V378 K399 L402	V370-E374 HydrophobicContact CG1-CB 4.4Å; V370-E374 HydrophobicContact CG1-CG 4.33Å; V370-E374 WeakPolarHBondContact O-CB 3.27Å; V370-E374 PolarHBondContact O-N 3.09Å; E374-E376 PolarHBondContact O-N 3.48Å; E374-S377 WeakPolarHBondContact O-CB 3.29Å; E374-S377 PolarHBondContact O-N 3.13Å; E374-S377 PolarHBondContact OE2-OG 3.4Å; E374-V378 WeakPolarHBondContact O-CG2 3.29Å; E374-V378 PolarHBondContact O-N 3.06Å; E374-K399 HydrophobicContact CG-CB 4.17Å; E374-K399 HydrophobicContact CG-CG 4.28Å; E374-K399 WeakPolarHBondContact OE1-CD 3.47Å; E374-K399 WeakPolarHBondContact OE1-CE 3.2Å; E374-K399 WeakPolarHBondContact OE1-CG 3.4Å; E374-K399 IonicContact OE1-NZ 3.42Å; E374-K399 PolarHBondContact OE1-NZ 3.31Å; E374-K399 IonicContact OE2-NZ 2.61Å; E374-K399 PolarHBondContact OE2-NZ 2.83Å; E374-L402 HydrophobicContact CB-CD1 4.04Å
375	S	67.5	Low	62.9	Low	71 Å²	71	74.1 Å²	74.1	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-58.9	-38.7	-171.2	54.3	0	0	0	0	114.4	V378 L379	S375-V378 WeakPolarHBondContact O-CB 3.2Å; S375-V378 PolarHBondContact O-N 3.03Å; S375-L379 PolarHBondContact O-N 3.32Å
376	E	71.3	Confident	63.2	Low	159 Å²	159	74.5 Å²	74.5	74%	0.743	39%	0.391	S	S	*	.	H	α-helix	trans	-68.4	-45	174.7	-64.4	-173	156.9	0	0	111.8	E374 V378 L379 T380	E374-E376 PolarHBondContact O-N 3.48Å; E376-V378 PolarHBondContact O-N 2.88Å; E376-L379 WeakPolarHBondContact O-CB 3.26Å; E376-L379 PolarHBondContact O-N 3.43Å; E376-T380 PolarHBondContact O-N 3.06Å; E376-T380 PolarHBondContact O-OG1 2.9Å
377	S	71.2	Confident	63.6	Low	33 Å²	33	70.9 Å²	70.9	23%	0.231	39%	0.385	C	S	.	.	H	α-helix	trans	-57.7	-38.9	174.3	-47.3	0	0	0	0	111.5	E374 L381 I406	E374-S377 WeakPolarHBondContact O-CB 3.29Å; E374-S377 PolarHBondContact O-N 3.13Å; E374-S377 PolarHBondContact OE2-OG 3.4Å; S377-L381 WeakPolarHBondContact O-CB 3.48Å; S377-L381 PolarHBondContact O-N 3.07Å; S377-I406 WeakPolarHBondContact O-CD1 3.47Å
378	V	70.5	Confident	64	Low	15 Å²	15	71.1 Å²	71.1	9%	0.091	39%	0.393	C	S	.	.	H	α-helix	trans	-63.8	-44.4	172.6	158.1	0	0	0	0	111.9	L371 E374 S375 E376 L381 K382 L390 L395 L402	L371-V378 HydrophobicContact CD2-CG1 4.45Å; L371-V378 HydrophobicContact CD2-CG2 4.4Å; E374-V378 WeakPolarHBondContact O-CG2 3.29Å; E374-V378 PolarHBondContact O-N 3.06Å; S375-V378 WeakPolarHBondContact O-CB 3.2Å; S375-V378 PolarHBondContact O-N 3.03Å; E376-V378 PolarHBondContact O-N 2.88Å; V378-L381 PolarHBondContact O-N 2.84Å; V378-K382 HydrophobicContact CG1-CD 4.46Å; V378-K382 WeakPolarHBondContact O-CG 3.47Å; V378-K382 PolarHBondContact O-N 3.16Å; V378-L390 HydrophobicContact CG1-CD1 3.92Å; V378-L390 HydrophobicContact CG1-CD2 4.3Å; V378-L390 HydrophobicContact CG2-CD1 4.19Å; V378-L395 HydrophobicContact CG2-CD2 3.9Å; V378-L402 HydrophobicContact CG2-CD1 3.71Å; V378-L402 HydrophobicContact CG2-CD2 4.45Å
379	L	68	Low	64.3	Low	130 Å²	130	71.2 Å²	71.2	68%	0.681	40%	0.397	S	S	*	.	H	α-helix	trans	-64.5	-45.2	180	-164.6	74.8	0	0	0	111.2	S375 E376 K382 G383	S375-L379 PolarHBondContact O-N 3.32Å; E376-L379 WeakPolarHBondContact O-CB 3.26Å; E376-L379 PolarHBondContact O-N 3.43Å; L379-K382 WeakPolarHBondContact O-CB 3.48Å; L379-K382 PolarHBondContact O-N 3.25Å; L379-G383 PolarHBondContact O-N 3.11Å
380	T	69.3	Low	64.7	Low	79 Å²	79	70.8 Å²	70.8	49%	0.485	39%	0.391	S	S	.	.	H	α-helix	trans	-59.3	-48.8	175.4	-59.3	0	0	0	0	111.5	E376 K382 G383 L384	E376-T380 PolarHBondContact O-N 3.06Å; E376-T380 PolarHBondContact O-OG1 2.9Å; T380-K382 VanDerWaalsContact C-N 3.26Å; T380-K382 PolarHBondContact O-N 3.47Å; T380-G383 PolarHBondContact O-N 3.33Å; T380-L384 HydrophobicContact CG2-CD1 4.34Å; T380-L384 WeakPolarHBondContact O-CG 3.13Å; T380-L384 PolarHBondContact O-N 2.69Å; T380-L384 VanDerWaalsContact O-N 3.15Å
381	L	68.5	Low	65	Low	3 Å²	3	73 Å²	73	2%	0.016	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-26.7	-180	-171.2	62.7	0	0	0	112.8	S377 V378 L384 T385 L390 V394 L402 A405 I406	S377-L381 WeakPolarHBondContact O-CB 3.48Å; S377-L381 PolarHBondContact O-N 3.07Å; V378-L381 PolarHBondContact O-N 2.84Å; L381-L384 PolarHBondContact O-N 2.88Å; L381-T385 PolarHBondContact O-N 2.62Å; L381-T385 PolarHBondContact O-OG1 3.34Å; L381-L390 HydrophobicContact CB-CD2 4.03Å; L381-L390 HydrophobicContact CD2-CD2 4.06Å; L381-L390 HydrophobicContact CG-CD2 4.16Å; L381-V394 HydrophobicContact CD2-CG1 3.77Å; L381-L402 HydrophobicContact CD2-CD2 4.23Å; L381-A405 HydrophobicContact CD1-CB 4.27Å; L381-A405 HydrophobicContact CD2-CB 3.67Å; L381-I406 HydrophobicContact CB-CD1 4.27Å; L381-I406 HydrophobicContact CB-CG1 4.19Å; L381-I406 HydrophobicContact CD1-CG1 4.08Å; L381-I406 HydrophobicContact CD2-CG1 4.44Å; L381-I406 HydrophobicContact CG-CG1 4.47Å
382	K	68.7	Low	65.1	Low	87 Å²	87	76.1 Å²	76.1	38%	0.378	43%	0.433	S	S	.	.	H	α-helix	trans	-70.8	-33.8	169.5	-78.2	-176.1	157.7	-142.2	0	113.5	V378 L379 T380 L384 T385 G388 L390	V378-K382 HydrophobicContact CG1-CD 4.46Å; V378-K382 WeakPolarHBondContact O-CG 3.47Å; V378-K382 PolarHBondContact O-N 3.16Å; L379-K382 WeakPolarHBondContact O-CB 3.48Å; L379-K382 PolarHBondContact O-N 3.25Å; T380-K382 VanDerWaalsContact C-N 3.26Å; T380-K382 PolarHBondContact O-N 3.47Å; K382-L384 PolarHBondContact O-N 3.25Å; K382-T385 PolarHBondContact O-N 2.68Å; K382-T385 PolarHBondContact O-OG1 3.01Å; K382-G388 VanDerWaalsContact CD-O 3.26Å; K382-G388 WeakPolarHBondContact CD-O 3.43Å; K382-G388 WeakPolarHBondContact CE-O 3.39Å; K382-G388 VanDerWaalsContact CG-O 3.29Å; K382-G388 WeakPolarHBondContact CG-O 3.46Å; K382-G388 PolarHBondContact NZ-O 2.97Å; K382-L390 HydrophobicContact CG-CD2 3.84Å; K382-L390 HydrophobicContact CG-CG 3.94Å
383	G	65.1	Low	65.3	Low	72 Å²	72	69 Å²	69	74%	0.742	42%	0.419	S	S	*	.	H	α-helix	trans	-67.5	-23.1	171.8	0	0	0	0	0	112.9	L379 T380	L379-G383 PolarHBondContact O-N 3.11Å; T380-G383 PolarHBondContact O-N 3.33Å
384	L	59.9	Low	65.2	Low	83 Å²	83	65.1 Å²	65.1	44%	0.435	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.7	176.3	-62.2	171.9	0	0	0	113.8	T380 L381 K382	T380-L384 HydrophobicContact CG2-CD1 4.34Å; T380-L384 WeakPolarHBondContact O-CG 3.13Å; T380-L384 PolarHBondContact O-N 2.69Å; T380-L384 VanDerWaalsContact O-N 3.15Å; L381-L384 PolarHBondContact O-N 2.88Å; K382-L384 PolarHBondContact O-N 3.25Å
385	T	60.2	Low	65	Low	23 Å²	23	65.5 Å²	65.5	14%	0.141	40%	0.404	C	S	.	.	S	Bend	trans	-111.2	132.3	173.4	52.6	0	0	0	0	112	L381 K382 T387 G388 M389 P391	L381-T385 PolarHBondContact O-N 2.62Å; L381-T385 PolarHBondContact O-OG1 3.34Å; K382-T385 PolarHBondContact O-N 2.68Å; K382-T385 PolarHBondContact O-OG1 3.01Å; T385-T387 PolarHBondContact O-N 2.8Å; T385-G388 PolarHBondContact O-N 3.29Å; T385-M389 VanDerWaalsContact CB-O 3.29Å; T385-M389 WeakPolarHBondContact CB-O 3.42Å; T385-M389 PolarHBondContact OG1-O 2.67Å; T385-P391 HydrophobicContact CG2-CG 3.78Å
386	P	47.6	Very low	65	Low	80 Å²	80	63 Å²	63	52%	0.519	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.6	-175.5	-29.2	34.9	0	0	0	115.6	N428	P386-N428 WeakPolarHBondContact CB-OD1 3.36Å; P386-N428 VanDerWaalsContact CG-ND2 3.31Å; P386-N428 WeakPolarHBondContact CG-ND2 3.41Å; P386-N428 VanDerWaalsContact CG-OD1 3.27Å; P386-N428 WeakPolarHBondContact CG-OD1 3.49Å
387	T	61.1	Low	64.9	Low	68 Å²	68	57 Å²	57	42%	0.417	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.8	-178.2	54.7	0	0	0	0	114.3	Y159 T385 M389	Y159-T387 WeakPolarHBondContact OH-CG2 3.31Å; T385-T387 PolarHBondContact O-N 2.8Å; T387-M389 PolarHBondContact O-N 3.41Å; T387-M389 VanDerWaalsContact O-N 3.11Å; T387-M389 WeakPolarHBondContact OG1-CB 3.37Å; T387-M389 PolarHBondContact OG1-N 3.08Å
388	G	60.5	Low	65.1	Low	31 Å²	31	56 Å²	56	32%	0.32	36%	0.362	S	S	.	.	S	Bend	trans	62.8	11.3	-167.3	0	0	0	0	0	114.2	K382 T385	K382-G388 VanDerWaalsContact CD-O 3.26Å; K382-G388 WeakPolarHBondContact CD-O 3.43Å; K382-G388 WeakPolarHBondContact CE-O 3.39Å; K382-G388 VanDerWaalsContact CG-O 3.29Å; K382-G388 WeakPolarHBondContact CG-O 3.46Å; K382-G388 PolarHBondContact NZ-O 2.97Å; T385-G388 PolarHBondContact O-N 3.29Å
389	M	57.6	Low	65.3	Low	133 Å²	133	59.8 Å²	59.8	66%	0.655	38%	0.377	S	S	*	.	S	Bend	trans	-107.3	141.9	177.2	-55.9	-170.7	74.2	0	0	110.2	T385 T387	T385-M389 VanDerWaalsContact CB-O 3.29Å; T385-M389 WeakPolarHBondContact CB-O 3.42Å; T385-M389 PolarHBondContact OG1-O 2.67Å; T387-M389 PolarHBondContact O-N 3.41Å; T387-M389 VanDerWaalsContact O-N 3.11Å; T387-M389 WeakPolarHBondContact OG1-CB 3.37Å; T387-M389 PolarHBondContact OG1-N 3.08Å
390	L	66.3	Low	65.5	Low	35 Å²	35	60.9 Å²	60.9	18%	0.183	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-70.1	144.2	-179.4	-64.9	163.4	0	0	0	110.7	V378 L381 K382 L395	V378-L390 HydrophobicContact CG1-CD1 3.92Å; V378-L390 HydrophobicContact CG1-CD2 4.3Å; V378-L390 HydrophobicContact CG2-CD1 4.19Å; L381-L390 HydrophobicContact CB-CD2 4.03Å; L381-L390 HydrophobicContact CD2-CD2 4.06Å; L381-L390 HydrophobicContact CG-CD2 4.16Å; K382-L390 HydrophobicContact CG-CD2 3.84Å; K382-L390 HydrophobicContact CG-CG 3.94Å; L390-L395 HydrophobicContact CD1-CD1 3.66Å; L390-L395 HydrophobicContact CD1-CD2 3.76Å; L390-L395 HydrophobicContact CD1-CG 3.71Å
391	P	65.6	Low	65.7	Low	54 Å²	54	59.6 Å²	59.6	35%	0.351	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.2	141.2	179	-17.7	30	0	0	0	111.4	T385 G393 V394	T385-P391 HydrophobicContact CG2-CG 3.78Å; P391-G393 PolarHBondContact O-N 2.78Å; P391-V394 HydrophobicContact CB-CG2 3.76Å; P391-V394 HydrophobicContact CG-CG2 4.09Å; P391-V394 WeakPolarHBondContact O-CB 3.37Å; P391-V394 WeakPolarHBondContact O-CG2 3.41Å; P391-V394 PolarHBondContact O-N 3.18Å; P391-V394 VanDerWaalsContact O-N 3.11Å
392	S	62.3	Low	65.8	Low	133 Å²	133	59.5 Å²	59.5	93%	0.93	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	127.5	-171.5	-170.1	0	0	0	0	111.7
393	G	65.1	Low	65.9	Low	40 Å²	40	59.1 Å²	59.1	41%	0.412	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-12.8	179.9	0	0	0	0	0	116.3	P391 L395 S396	P391-G393 PolarHBondContact O-N 2.78Å; G393-L395 PolarHBondContact O-N 3.22Å; G393-S396 WeakPolarHBondContact O-CA 3.32Å; G393-S396 WeakPolarHBondContact O-CB 3.49Å; G393-S396 PolarHBondContact O-N 3.19Å; G393-S396 PolarHBondContact O-OG 2.93Å
394	V	71.8	Confident	66.1	Low	18 Å²	18	59.1 Å²	59.1	11%	0.109	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-58.1	-43.9	-176.5	169	0	0	0	0	113	L381 P391 S396 T401 L402 A405	L381-V394 HydrophobicContact CD2-CG1 3.77Å; P391-V394 HydrophobicContact CB-CG2 3.76Å; P391-V394 HydrophobicContact CG-CG2 4.09Å; P391-V394 WeakPolarHBondContact O-CB 3.37Å; P391-V394 WeakPolarHBondContact O-CG2 3.41Å; P391-V394 PolarHBondContact O-N 3.18Å; P391-V394 VanDerWaalsContact O-N 3.11Å; V394-S396 PolarHBondContact O-N 3.05Å; V394-T401 PolarHBondContact O-OG1 2.8Å; V394-L402 HydrophobicContact CG1-CB 4.45Å; V394-L402 HydrophobicContact CG1-CG 4Å; V394-A405 HydrophobicContact CG1-CB 3.9Å; V394-A405 HydrophobicContact CG2-CB 4.03Å
395	L	67.7	Low	66.4	Low	28 Å²	28	56.3 Å²	56.3	15%	0.147	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-63.2	-22.1	174.6	-67.7	173.4	0	0	0	113.6	V367 V370 L371 V378 L390 G393 L402	V367-L395 HydrophobicContact CB-CB 4.36Å; V367-L395 HydrophobicContact CG1-CB 4.16Å; V367-L395 HydrophobicContact CG1-CD1 3.98Å; V367-L395 HydrophobicContact CG2-CB 3.84Å; V370-L395 HydrophobicContact CG1-CD2 3.89Å; L371-L395 HydrophobicContact CD1-CD1 4.09Å; L371-L395 HydrophobicContact CD2-CD1 3.75Å; L371-L395 HydrophobicContact CD2-CD2 3.87Å; L371-L395 HydrophobicContact CD2-CG 4.49Å; L371-L395 HydrophobicContact CG-CD1 3.87Å; L371-L395 HydrophobicContact CG-CD2 4.02Å; V378-L395 HydrophobicContact CG2-CD2 3.9Å; L390-L395 HydrophobicContact CD1-CD1 3.66Å; L390-L395 HydrophobicContact CD1-CD2 3.76Å; L390-L395 HydrophobicContact CD1-CG 3.71Å; G393-L395 PolarHBondContact O-N 3.22Å; L395-L402 HydrophobicContact CD2-CD1 3.95Å
396	S	67.1	Low	66.5	Low	19 Å²	19	56.4 Å²	56.4	13%	0.133	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-83.5	-13.6	-168.4	80.4	0	0	0	0	114.6	K363 G393 V394	K363-S396 WeakPolarHBondContact CE-OG 3.46Å; G393-S396 WeakPolarHBondContact O-CA 3.32Å; G393-S396 WeakPolarHBondContact O-CB 3.49Å; G393-S396 PolarHBondContact O-N 3.19Å; G393-S396 PolarHBondContact O-OG 2.93Å; V394-S396 PolarHBondContact O-N 3.05Å
397	G	68.9	Low	67	Low	32 Å²	32	59.1 Å²	59.1	33%	0.33	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-101.3	2.7	176.9	0	0	0	0	0	115.2	T401	G397-T401 WeakPolarHBondContact CA-OG1 3.15Å; G397-T401 PolarHBondContact N-OG1 3.44Å
398	G	74.8	Confident	66.6	Low	12 Å²	12	58.6 Å²	58.6	12%	0.124	36%	0.359	C	S	.	.			trans	89.2	-177.9	177.8	0	0	0	0	0	114.8	Q400 T401 L402	G398-Q400 PolarHBondContact O-N 3.1Å; G398-T401 PolarHBondContact N-OG1 3.35Å; G398-T401 PolarHBondContact O-N 2.93Å; G398-T401 PolarHBondContact O-OG1 2.96Å; G398-L402 PolarHBondContact O-N 3.45Å; G398-L402 VanDerWaalsContact O-N 3.11Å
399	K	75.8	Confident	66	Low	95 Å²	95	61.2 Å²	61.2	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-44.5	-38.6	173.5	179.4	-179.8	-166.2	75.1	0	112.5	E374 L402 Q403	E374-K399 HydrophobicContact CG-CB 4.17Å; E374-K399 HydrophobicContact CG-CG 4.28Å; E374-K399 WeakPolarHBondContact OE1-CD 3.47Å; E374-K399 WeakPolarHBondContact OE1-CE 3.2Å; E374-K399 WeakPolarHBondContact OE1-CG 3.4Å; E374-K399 IonicContact OE1-NZ 3.42Å; E374-K399 PolarHBondContact OE1-NZ 3.31Å; E374-K399 IonicContact OE2-NZ 2.61Å; E374-K399 PolarHBondContact OE2-NZ 2.83Å; K399-L402 PolarHBondContact O-N 2.89Å; K399-Q403 HydrophobicContact CG-CG 4.3Å; K399-Q403 VanDerWaalsContact O-CB 3.3Å; K399-Q403 WeakPolarHBondContact O-CB 3.45Å; K399-Q403 VanDerWaalsContact O-CG 3.32Å; K399-Q403 WeakPolarHBondContact O-CG 3.24Å; K399-Q403 PolarHBondContact O-N 3.38Å
400	Q	72.6	Confident	65.4	Low	154 Å²	154	56.4 Å²	56.4	72%	0.72	34%	0.341	S	S	*	.	H	α-helix	trans	-65.9	-39.8	179.4	-69.3	178.2	-13.5	0	0	113.9	G398 Q403 S404	G398-Q400 PolarHBondContact O-N 3.1Å; Q400-Q403 CarbonylContact O-C 3.59Å; Q400-S404 VanDerWaalsContact O-CB 3.32Å; Q400-S404 WeakPolarHBondContact O-CB 3.48Å; Q400-S404 PolarHBondContact O-N 2.83Å; Q400-S404 PolarHBondContact O-OG 3.04Å
401	T	71.9	Confident	64.7	Low	52 Å²	52	59.9 Å²	59.9	32%	0.319	37%	0.365	S	S	.	.	H	α-helix	trans	-79.7	-25.5	175.1	51.2	0	0	0	0	112.7	V394 G397 G398 S404 A405	V394-T401 PolarHBondContact O-OG1 2.8Å; G397-T401 WeakPolarHBondContact CA-OG1 3.15Å; G397-T401 PolarHBondContact N-OG1 3.44Å; G398-T401 PolarHBondContact N-OG1 3.35Å; G398-T401 PolarHBondContact O-N 2.93Å; G398-T401 PolarHBondContact O-OG1 2.96Å; T401-S404 PolarHBondContact O-N 2.8Å; T401-A405 WeakPolarHBondContact O-CB 3.45Å; T401-A405 PolarHBondContact O-N 2.98Å
402	L	71.6	Confident	64	Low	0 Å²	0	65.4 Å²	65.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-66.2	-47.4	169.3	-132.7	158.4	0	0	0	110.3	V370 E374 V378 L381 V394 L395 G398 K399 S404 A405 I406	V370-L402 HydrophobicContact CG1-CD1 3.41Å; V370-L402 VanDerWaalsContact CG1-CD1 3.41Å; E374-L402 HydrophobicContact CB-CD1 4.04Å; V378-L402 HydrophobicContact CG2-CD1 3.71Å; V378-L402 HydrophobicContact CG2-CD2 4.45Å; L381-L402 HydrophobicContact CD2-CD2 4.23Å; V394-L402 HydrophobicContact CG1-CB 4.45Å; V394-L402 HydrophobicContact CG1-CG 4Å; L395-L402 HydrophobicContact CD2-CD1 3.95Å; G398-L402 PolarHBondContact O-N 3.45Å; G398-L402 VanDerWaalsContact O-N 3.11Å; K399-L402 PolarHBondContact O-N 2.89Å; L402-S404 VanDerWaalsContact C-N 3.31Å; L402-S404 PolarHBondContact O-N 3.41Å; L402-A405 PolarHBondContact O-N 3.31Å; L402-I406 HydrophobicContact CD2-CD1 3.62Å; L402-I406 WeakPolarHBondContact O-CB 3.13Å; L402-I406 WeakPolarHBondContact O-CD1 3.43Å; L402-I406 VanDerWaalsContact O-CG1 3.24Å; L402-I406 WeakPolarHBondContact O-CG1 3.27Å; L402-I406 PolarHBondContact O-N 3.19Å
403	Q	70.7	Confident	64.2	Low	79 Å²	79	63.2 Å²	63.2	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-67.8	-23.3	170.5	-71.8	-176.2	-24.7	0	0	113.8	K399 Q400 I406 K407	K399-Q403 HydrophobicContact CG-CG 4.3Å; K399-Q403 VanDerWaalsContact O-CB 3.3Å; K399-Q403 WeakPolarHBondContact O-CB 3.45Å; K399-Q403 VanDerWaalsContact O-CG 3.32Å; K399-Q403 WeakPolarHBondContact O-CG 3.24Å; K399-Q403 PolarHBondContact O-N 3.38Å; Q400-Q403 CarbonylContact O-C 3.59Å; Q403-I406 CarbonylContact O-C 3.07Å; Q403-K407 VanDerWaalsContact O-CB 3.27Å; Q403-K407 WeakPolarHBondContact O-CB 3.49Å; Q403-K407 WeakPolarHBondContact O-CD 3.45Å; Q403-K407 WeakPolarHBondContact O-CG 3.48Å; Q403-K407 PolarHBondContact O-N 3.41Å; Q403-K407 VanDerWaalsContact O-N 3.1Å
404	S	69.5	Low	64.7	Low	72 Å²	72	69.6 Å²	69.6	50%	0.503	38%	0.378	S	S	.	.	H	α-helix	trans	-82.5	-30.9	172.9	-70.6	0	0	0	0	113	Q400 T401 L402 I406 K407 G408	Q400-S404 VanDerWaalsContact O-CB 3.32Å; Q400-S404 WeakPolarHBondContact O-CB 3.48Å; Q400-S404 PolarHBondContact O-N 2.83Å; Q400-S404 PolarHBondContact O-OG 3.04Å; T401-S404 PolarHBondContact O-N 2.8Å; L402-S404 VanDerWaalsContact C-N 3.31Å; L402-S404 PolarHBondContact O-N 3.41Å; S404-I406 VanDerWaalsContact C-N 3.32Å; S404-K407 PolarHBondContact O-N 3.11Å; S404-K407 VanDerWaalsContact O-N 3.16Å; S404-G408 PolarHBondContact O-N 3.23Å
405	A	66.2	Low	65.1	Low	24 Å²	24	71.1 Å²	71.1	20%	0.198	39%	0.385	C	S	.	.	H	α-helix	trans	-62.4	-45.3	164.1	0	0	0	0	0	109.4	L381 V394 T401 L402 K407 F409	L381-A405 HydrophobicContact CD1-CB 4.27Å; L381-A405 HydrophobicContact CD2-CB 3.67Å; V394-A405 HydrophobicContact CG1-CB 3.9Å; V394-A405 HydrophobicContact CG2-CB 4.03Å; T401-A405 WeakPolarHBondContact O-CB 3.45Å; T401-A405 PolarHBondContact O-N 2.98Å; L402-A405 PolarHBondContact O-N 3.31Å; A405-K407 PolarHBondContact O-N 2.79Å; A405-F409 WeakPolarHBondContact O-CB 3.42Å; A405-F409 PolarHBondContact O-N 3.06Å
406	I	62	Low	65.9	Low	25 Å²	25	75 Å²	75	13%	0.128	41%	0.41	C	S	.	.	H	α-helix	trans	-79.9	30	171.2	-48.7	159.1	0	0	0	111.9	S377 L381 L402 Q403 S404 F409 P411	S377-I406 WeakPolarHBondContact O-CD1 3.47Å; L381-I406 HydrophobicContact CB-CD1 4.27Å; L381-I406 HydrophobicContact CB-CG1 4.19Å; L381-I406 HydrophobicContact CD1-CG1 4.08Å; L381-I406 HydrophobicContact CD2-CG1 4.44Å; L381-I406 HydrophobicContact CG-CG1 4.47Å; L402-I406 HydrophobicContact CD2-CD1 3.62Å; L402-I406 WeakPolarHBondContact O-CB 3.13Å; L402-I406 WeakPolarHBondContact O-CD1 3.43Å; L402-I406 VanDerWaalsContact O-CG1 3.24Å; L402-I406 WeakPolarHBondContact O-CG1 3.27Å; L402-I406 PolarHBondContact O-N 3.19Å; Q403-I406 CarbonylContact O-C 3.07Å; S404-I406 VanDerWaalsContact C-N 3.32Å; I406-F409 CarbonylContact C-O 3.58Å; I406-F409 WeakPolarHBondContact CA-O 3.32Å; I406-P411 HydrophobicContact CG2-CG 4.31Å; I406-P411 WeakPolarHBondContact O-CD 3.44Å
407	K	57.6	Low	66.9	Low	138 Å²	138	76.9 Å²	76.9	60%	0.6	42%	0.423	S	S	*	.	H	α-helix	trans	-139.9	-29.3	167.8	-83.3	172.6	-178.7	-177.9	0	113.3	Q403 S404 A405 F409 S410	Q403-K407 VanDerWaalsContact O-CB 3.27Å; Q403-K407 WeakPolarHBondContact O-CB 3.49Å; Q403-K407 WeakPolarHBondContact O-CD 3.45Å; Q403-K407 WeakPolarHBondContact O-CG 3.48Å; Q403-K407 PolarHBondContact O-N 3.41Å; Q403-K407 VanDerWaalsContact O-N 3.1Å; S404-K407 PolarHBondContact O-N 3.11Å; S404-K407 VanDerWaalsContact O-N 3.16Å; A405-K407 PolarHBondContact O-N 2.79Å; K407-F409 PolarHBondContact N-O 3.32Å; K407-S410 PolarHBondContact O-N 3.19Å; K407-S410 VanDerWaalsContact O-N 3.13Å
408	G	52.9	Low	67.9	Low	57 Å²	57	76.9 Å²	76.9	59%	0.588	41%	0.414	S	S	*	.	H	α-helix	trans	-61.2	-50.7	155.6	0	0	0	0	0	109.3	S404 S410	S404-G408 PolarHBondContact O-N 3.23Å; G408-S410 PolarHBondContact O-N 3.44Å
409	F	48.8	Very low	68.7	Low	86 Å²	86	82.1 Å²	82.1	38%	0.377	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	71.6	152.2	-71	-89.9	0	0	0	109.4	A405 I406 K407 L424	A405-F409 WeakPolarHBondContact O-CB 3.42Å; A405-F409 PolarHBondContact O-N 3.06Å; I406-F409 CarbonylContact C-O 3.58Å; I406-F409 WeakPolarHBondContact CA-O 3.32Å; K407-F409 PolarHBondContact N-O 3.32Å; F409-L424 HydrophobicContact CE1-CD1 4.09Å; F409-L424 HydrophobicContact CE2-CD2 4.44Å; F409-L424 HydrophobicContact CZ-CD1 4.16Å; F409-L424 HydrophobicContact CZ-CD2 3.84Å
410	S	44.5	Very low	69.4	Low	32 Å²	32	80 Å²	80	22%	0.224	43%	0.427	C	S	.	.			trans	-57.8	136.7	165.4	-178.5	0	0	0	0	107.5	K407 G408 Q412 H413	K407-S410 PolarHBondContact O-N 3.19Å; K407-S410 VanDerWaalsContact O-N 3.13Å; G408-S410 PolarHBondContact O-N 3.44Å; S410-Q412 PolarHBondContact O-N 3.32Å; S410-Q412 PolarHBondContact OG-N 3.42Å; S410-H413 WeakPolarHBondContact O-CB 3.34Å; S410-H413 PolarHBondContact O-N 2.81Å
411	P	51	Low	70.2	Confident	107 Å²	107	72.8 Å²	72.8	70%	0.695	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	2.6	176	28.8	-35	0	0	0	112.7	I406	I406-P411 HydrophobicContact CG2-CG 4.31Å; I406-P411 WeakPolarHBondContact O-CD 3.44Å
412	Q	51.8	Low	71.1	Confident	170 Å²	170	72.3 Å²	72.3	79%	0.794	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-9.3	171.8	-62.5	170.6	-15	0	0	112.7	S410 K414	S410-Q412 PolarHBondContact O-N 3.32Å; S410-Q412 PolarHBondContact OG-N 3.42Å; Q412-K414 PolarHBondContact O-N 3.43Å; Q412-K414 VanDerWaalsContact O-N 3.09Å
413	H	66.8	Low	71.9	Confident	88 Å²	88	74.3 Å²	74.3	41%	0.407	41%	0.407	S	S	.	.			trans	-77.9	93.6	172.7	-175.4	70.3	0	0	0	108.1	S410 E420	S410-H413 WeakPolarHBondContact O-CB 3.34Å; S410-H413 PolarHBondContact O-N 2.81Å; H413-E420 IonicContact CD2-OE1 2.62Å; H413-E420 IonicContact CE1-OE1 3.44Å; H413-E420 IonicContact NE2-OE1 3.81Å; H413-E420 PolarHBondContact NE2-OE1 3.32Å
414	K	73.7	Confident	72.8	Confident	173 Å²	173	74.1 Å²	74.1	75%	0.752	41%	0.409	S	S	*	.			trans	-72	135.5	168.5	-60.8	-175.4	177.5	-171	0	107.8	Q412 T416	Q412-K414 PolarHBondContact O-N 3.43Å; Q412-K414 VanDerWaalsContact O-N 3.09Å; K414-T416 WeakPolarHBondContact O-CG2 3.02Å; K414-T416 PolarHBondContact O-N 3.45Å
415	I	81.3	Confident	73.9	Confident	50 Å²	50	71 Å²	71	26%	0.256	39%	0.386	S	S	.	.			trans	-55	131.4	166.4	-71	162.6	0	0	0	108	V314 E420 A421 L424	V314-I415 HydrophobicContact CB-CD1 3.75Å; V314-I415 HydrophobicContact CG1-CD1 4.07Å; V314-I415 HydrophobicContact CG2-CD1 3.91Å; I415-E420 HydrophobicContact CG1-CG 4.46Å; I415-E420 HydrophobicContact CG2-CB 4.22Å; I415-E420 HydrophobicContact CG2-CG 4.12Å; I415-A421 HydrophobicContact CG2-CB 3.98Å; I415-L424 HydrophobicContact CD1-CD1 3.78Å; I415-L424 HydrophobicContact CG1-CD1 4.03Å
416	T	85	Confident	75	Confident	111 Å²	111	76.7 Å²	76.7	68%	0.681	40%	0.402	S	S	*	.			trans	-107.8	-15.5	-164.7	61.4	0	0	0	0	113.5	K414 E420	K414-T416 WeakPolarHBondContact O-CG2 3.02Å; K414-T416 PolarHBondContact O-N 3.45Å; T416-E420 WeakPolarHBondContact CB-OE2 3.26Å; T416-E420 PolarHBondContact N-OE2 3.37Å; T416-E420 PolarHBondContact OG1-OE2 3.33Å
417	S	87.6	Confident	76.3	Confident	57 Å²	57	81.1 Å²	81.1	40%	0.399	43%	0.425	S	S	.	.	S	Bend	trans	-153.9	158.3	-176	62.4	0	0	0	0	112.1	E419 E420 A421	S417-E419 VanDerWaalsContact C-N 3.29Å; S417-E419 PolarHBondContact O-N 3.04Å; S417-E420 PolarHBondContact O-N 2.85Å; S417-E420 WeakPolarHBondContact OG-CB 3.22Å; S417-E420 PolarHBondContact OG-N 3.36Å; S417-A421 PolarHBondContact O-N 3.43Å
418	F	90.6	Very high	77.9	Confident	32 Å²	32	75.3 Å²	75.3	14%	0.14	40%	0.401	C	S	.	.	H	α-helix	trans	-55.3	-43.4	172.4	178.6	-88.4	0	0	0	112.3	A283 D285 Y315 N317 E420 A421 K422	A283-F418 HydrophobicContact CB-CE2 4.4Å; A283-F418 HydrophobicContact CB-CZ 4.12Å; A283-F418 WeakPolarHBondContact O-CZ 3.49Å; D285-F418 HydrophobicContact CB-CB 4.26Å; D285-F418 HydrophobicContact CB-CD1 4.18Å; D285-F418 HydrophobicContact CB-CD2 3.72Å; D285-F418 HydrophobicContact CB-CE2 4.1Å; D285-F418 HydrophobicContact CB-CG 3.78Å; D285-F418 VanDerWaalsContact N-CE2 3.33Å; Y315-F418 AromaticContact CD1-CD2 3.74Å; Y315-F418 HydrophobicContact CD1-CD2 3.74Å; Y315-F418 AromaticContact CD1-CE2 3.54Å; Y315-F418 HydrophobicContact CD1-CE2 3.54Å; Y315-F418 HydrophobicContact CD1-CG 4.41Å; Y315-F418 HydrophobicContact CD1-CZ 4.05Å; Y315-F418 HydrophobicContact CE1-CE2 4.15Å; Y315-F418 HydrophobicContact CE1-CZ 4.21Å; N317-F418 HydrophobicContact CB-CD2 3.88Å; N317-F418 HydrophobicContact CB-CE2 3.84Å; F418-E420 VanDerWaalsContact C-N 3.34Å; F418-E420 PolarHBondContact O-N 2.97Å; F418-A421 WeakPolarHBondContact O-CB 3.45Å; F418-A421 PolarHBondContact O-N 3.42Å; F418-K422 HydrophobicContact CE1-CD 4.23Å; F418-K422 PolarHBondContact O-N 3.23Å
419	E	90.7	Very high	79.8	Confident	123 Å²	123	73.3 Å²	73.3	58%	0.575	38%	0.376	S	S	*	.	H	α-helix	trans	-68.5	-33.1	-177.8	-167.3	54.4	-140.7	0	0	112.3	S417 G423	S417-E419 VanDerWaalsContact C-N 3.29Å; S417-E419 PolarHBondContact O-N 3.04Å; E419-G423 PolarHBondContact O-N 2.92Å
420	E	89.9	Confident	81.9	Confident	50 Å²	50	74.2 Å²	74.2	23%	0.234	38%	0.377	C	S	.	.	H	α-helix	trans	-65.2	-42.2	171.1	179.8	175.2	-160	0	0	111.7	H413 I415 T416 S417 F418 L424	H413-E420 IonicContact CD2-OE1 2.62Å; H413-E420 IonicContact CE1-OE1 3.44Å; H413-E420 IonicContact NE2-OE1 3.81Å; H413-E420 PolarHBondContact NE2-OE1 3.32Å; I415-E420 HydrophobicContact CG1-CG 4.46Å; I415-E420 HydrophobicContact CG2-CB 4.22Å; I415-E420 HydrophobicContact CG2-CG 4.12Å; T416-E420 WeakPolarHBondContact CB-OE2 3.26Å; T416-E420 PolarHBondContact N-OE2 3.37Å; T416-E420 PolarHBondContact OG1-OE2 3.33Å; S417-E420 PolarHBondContact O-N 2.85Å; S417-E420 WeakPolarHBondContact OG-CB 3.22Å; S417-E420 PolarHBondContact OG-N 3.36Å; F418-E420 VanDerWaalsContact C-N 3.34Å; F418-E420 PolarHBondContact O-N 2.97Å; E420-L424 HydrophobicContact CG-CD1 4.46Å; E420-L424 VanDerWaalsContact O-CG 3.31Å; E420-L424 WeakPolarHBondContact O-CG 3.5Å; E420-L424 PolarHBondContact O-N 3.03Å; E420-L424 VanDerWaalsContact O-N 3.16Å
421	A	90.3	Very high	84.2	Confident	3 Å²	3	74.5 Å²	74.5	3%	0.025	38%	0.375	C	S	.	.	H	α-helix	trans	-62.5	-47.8	175	0	0	0	0	0	111.7	V314 Y315 I415 S417 F418 G423 L424 D425	V314-A421 HydrophobicContact CG2-CB 4.45Å; Y315-A421 HydrophobicContact CD1-CB 3.66Å; Y315-A421 HydrophobicContact CD2-CB 3.71Å; Y315-A421 HydrophobicContact CE1-CB 4.1Å; Y315-A421 HydrophobicContact CE2-CB 4.14Å; Y315-A421 HydrophobicContact CG-CB 3.5Å; I415-A421 HydrophobicContact CG2-CB 3.98Å; S417-A421 PolarHBondContact O-N 3.43Å; F418-A421 WeakPolarHBondContact O-CB 3.45Å; F418-A421 PolarHBondContact O-N 3.42Å; A421-G423 PolarHBondContact O-N 2.91Å; A421-L424 PolarHBondContact O-N 2.71Å; A421-D425 WeakPolarHBondContact O-CB 3.28Å; A421-D425 PolarHBondContact O-N 3.03Å
422	K	90.5	Very high	86.1	Confident	42 Å²	42	69.8 Å²	69.8	18%	0.183	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-47.2	176.7	-168.5	177	-177.1	177.8	0	111.6	E282 Y315 F418 L424 D425 R426	E282-K422 IonicContact OE1-NZ 3.53Å; Y315-K422 HydrophobicContact CE1-CB 3.87Å; Y315-K422 HydrophobicContact CE1-CG 4.48Å; F418-K422 HydrophobicContact CE1-CD 4.23Å; F418-K422 PolarHBondContact O-N 3.23Å; K422-L424 VanDerWaalsContact C-N 3.28Å; K422-L424 PolarHBondContact O-N 3.37Å; K422-D425 PolarHBondContact O-N 3.43Å; K422-R426 WeakPolarHBondContact O-CB 3.25Å; K422-R426 PolarHBondContact O-N 3.06Å
423	G	89.5	Confident	87.9	Confident	41 Å²	41	67.1 Å²	67.1	42%	0.423	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-32.7	178.9	0	0	0	0	0	114.2	E419 A421	E419-G423 PolarHBondContact O-N 2.92Å; A421-G423 PolarHBondContact O-N 2.91Å
424	L	88.9	Confident	88.5	Confident	76 Å²	76	66.2 Å²	66.2	40%	0.398	34%	0.335	S	S	.	.	H	α-helix	trans	-77.3	-38.2	174.1	-69.3	174.2	0	0	0	112.7	F409 I415 E420 A421 K422	F409-L424 HydrophobicContact CE1-CD1 4.09Å; F409-L424 HydrophobicContact CE2-CD2 4.44Å; F409-L424 HydrophobicContact CZ-CD1 4.16Å; F409-L424 HydrophobicContact CZ-CD2 3.84Å; I415-L424 HydrophobicContact CD1-CD1 3.78Å; I415-L424 HydrophobicContact CG1-CD1 4.03Å; E420-L424 HydrophobicContact CG-CD1 4.46Å; E420-L424 VanDerWaalsContact O-CG 3.31Å; E420-L424 WeakPolarHBondContact O-CG 3.5Å; E420-L424 PolarHBondContact O-N 3.03Å; E420-L424 VanDerWaalsContact O-N 3.16Å; A421-L424 PolarHBondContact O-N 2.71Å; K422-L424 VanDerWaalsContact C-N 3.28Å; K422-L424 PolarHBondContact O-N 3.37Å
425	D	91.6	Very high	88.4	Confident	6 Å²	6	66.3 Å²	66.3	3%	0.032	33%	0.33	C	S	.	.	H	α-helix	trans	-82.8	-19.2	-175.2	-168	41.4	0	0	0	114.3	R122 L312 Y315 A421 K422 I427 N428 E429	R122-D425 IonicContact CZ-OD1 3.56Å; R122-D425 IonicContact CZ-OD2 2.69Å; R122-D425 IonicContact NH1-OD1 2.89Å; R122-D425 PolarHBondContact NH1-OD1 2.97Å; R122-D425 IonicContact NH1-OD2 2.92Å; R122-D425 PolarHBondContact NH1-OD2 3.47Å; R122-D425 IonicContact NH2-OD1 2.7Å; R122-D425 IonicContact NH2-OD2 3.95Å; L312-D425 HydrophobicContact CD1-CB 4.22Å; L312-D425 WeakPolarHBondContact CD1-OD1 3.45Å; Y315-D425 HydrophobicContact CE2-CB 4.06Å; Y315-D425 VanDerWaalsContact OH-CB 3.3Å; Y315-D425 WeakPolarHBondContact OH-CB 3.48Å; Y315-D425 PolarHBondContact OH-OD2 3.44Å; A421-D425 WeakPolarHBondContact O-CB 3.28Å; A421-D425 PolarHBondContact O-N 3.03Å; K422-D425 PolarHBondContact O-N 3.43Å; D425-I427 PolarHBondContact O-N 3.26Å; D425-N428 WeakPolarHBondContact O-CA 3.34Å; D425-N428 WeakPolarHBondContact O-CB 3.39Å; D425-N428 PolarHBondContact O-N 3.05Å; D425-N428 WeakPolarHBondContact OD1-CB 3.32Å; D425-N428 PolarHBondContact OD1-ND2 3.4Å; D425-E429 PolarHBondContact O-N 3.4Å
426	R	90.9	Very high	87.4	Confident	143 Å²	143	71.3 Å²	71.3	54%	0.54	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-18.7	-178.9	-171.8	173.6	63.8	170.1	-1.6	115.9	V253 K422 E429	V253-R426 HydrophobicContact CG1-CG 4.35Å; K422-R426 WeakPolarHBondContact O-CB 3.25Å; K422-R426 PolarHBondContact O-N 3.06Å; R426-E429 WeakPolarHBondContact CA-OE2 3.49Å; R426-E429 WeakPolarHBondContact CG-OE2 3.15Å
427	I	89.3	Confident	85.5	Confident	118 Å²	118	69.5 Å²	69.5	61%	0.605	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-26.9	172	-165.9	167.7	0	0	0	113.2	D425 R430	D425-I427 PolarHBondContact O-N 3.26Å; I427-R430 WeakPolarHBondContact O-CG 3.17Å
428	N	90.9	Very high	83	Confident	16 Å²	16	73.9 Å²	73.9	9%	0.086	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.7	176.4	-50.3	-43.5	0	0	0	112.5	R122 F160 P386 D425	R122-N428 VanDerWaalsContact NH2-C 3.34Å; R122-N428 PolarHBondContact NH2-O 3.09Å; R122-N428 VanDerWaalsContact NH2-O 3.07Å; F160-N428 HydrophobicContact CE1-CB 4.01Å; F160-N428 HydrophobicContact CZ-CB 4.13Å; F160-N428 WeakPolarHBondContact CZ-O 3.3Å; P386-N428 WeakPolarHBondContact CB-OD1 3.36Å; P386-N428 VanDerWaalsContact CG-ND2 3.31Å; P386-N428 WeakPolarHBondContact CG-ND2 3.41Å; P386-N428 VanDerWaalsContact CG-OD1 3.27Å; P386-N428 WeakPolarHBondContact CG-OD1 3.49Å; D425-N428 WeakPolarHBondContact O-CA 3.34Å; D425-N428 WeakPolarHBondContact O-CB 3.39Å; D425-N428 PolarHBondContact O-N 3.05Å; D425-N428 WeakPolarHBondContact OD1-CB 3.32Å; D425-N428 PolarHBondContact OD1-ND2 3.4Å
429	E	91.5	Very high	80.5	Confident	15 Å²	15	77.4 Å²	77.4	7%	0.07	40%	0.396	C	S	.	.	S	Bend	trans	-75.3	-12	168.9	-64.7	-178.7	141.7	0	0	112.3	V253 R254 D425 R426	V253-E429 HydrophobicContact CG1-CB 4.4Å; R254-E429 WeakPolarHBondContact CD-O 3.44Å; D425-E429 PolarHBondContact O-N 3.4Å; R426-E429 WeakPolarHBondContact CA-OE2 3.49Å; R426-E429 WeakPolarHBondContact CG-OE2 3.15Å
430	R	93.5	Very high	77.8	Confident	105 Å²	105	76.5 Å²	76.5	40%	0.396	40%	0.403	S	S	.	.	S	Bend	trans	-75.8	142	178	-49.4	-163.5	73.4	77.7	0.1	111.3	T252 V253 R254 I427 P432	T252-R430 VanDerWaalsContact O-CZ 3.29Å; T252-R430 PolarHBondContact O-NH1 3.37Å; T252-R430 PolarHBondContact O-NH2 3.42Å; V253-R430 WeakPolarHBondContact O-CG 3.44Å; V253-R430 PolarHBondContact O-NH1 2.9Å; R254-R430 CarbonylContact O-C 2.98Å; R254-R430 WeakPolarHBondContact O-CA 3.45Å; I427-R430 WeakPolarHBondContact O-CG 3.17Å; R430-P432 VanDerWaalsContact O-CD 3.3Å; R430-P432 WeakPolarHBondContact O-CD 3.41Å
431	M	92.3	Very high	75.1	Confident	39 Å²	39	79.9 Å²	79.9	19%	0.192	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-60.1	123.9	162.6	-178	179.3	66.4	0	0	108.9	W232 R254 C256	W232-M431 HydrophobicContact CH2-CB 3.77Å; W232-M431 HydrophobicContact CH2-CG 4.35Å; W232-M431 HydrophobicContact CZ2-CB 3.99Å; W232-M431 HydrophobicContact CZ2-CG 4.14Å; W232-M431 HydrophobicContact CZ3-CB 4.18Å; R254-M431 PolarHBondContact O-N 3.4Å; C256-M431 HydrophobicContact CB-CB 4.46Å; C256-M431 HydrophobicContact CB-CE 3.69Å; C256-M431 HydrophobicContact CB-SD 4.29Å
432	P	92.1	Very high	72.4	Confident	7 Å²	7	83.3 Å²	83.3	5%	0.045	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-63.3	155.9	179.4	-23.9	34.6	0	0	0	112.3	H155 L156 Y159 R430 R434	H155-P432 PolarHBondContact CE1-O 3.2Å; H155-P432 VanDerWaalsContact CE1-O 3.27Å; H155-P432 PolarHBondContact NE2-O 3.28Å; L156-P432 HydrophobicContact CD1-CG 4.31Å; Y159-P432 HydrophobicContact CD1-CB 4.12Å; Y159-P432 HydrophobicContact CD1-CG 3.46Å; Y159-P432 VanDerWaalsContact CD1-CG 3.46Å; Y159-P432 HydrophobicContact CD2-CB 3.62Å; Y159-P432 HydrophobicContact CD2-CG 3.9Å; Y159-P432 HydrophobicContact CE1-CB 4.4Å; Y159-P432 HydrophobicContact CE1-CG 3.91Å; Y159-P432 HydrophobicContact CE2-CB 3.93Å; Y159-P432 HydrophobicContact CE2-CG 4.3Å; Y159-P432 HydrophobicContact CG-CB 3.72Å; Y159-P432 HydrophobicContact CG-CG 3.45Å; Y159-P432 VanDerWaalsContact CG-CG 3.45Å; R430-P432 VanDerWaalsContact O-CD 3.3Å; R430-P432 WeakPolarHBondContact O-CD 3.41Å; P432-R434 PolarHBondContact O-N 2.85Å
433	P	88.8	Confident	69.6	Low	114 Å²	114	87.2 Å²	87.2	74%	0.74	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-59.8	123.4	173.1	-22.4	33.7	0	0	0	111.5
434	R	80	Confident	67	Low	70 Å²	70	90.7 Å²	90.7	26%	0.264	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-66.9	137.3	173.7	-68.8	-173.6	179.9	-137	-2.6	109.8	P221 P222 P432 D436 A437	P221-R434 PolarHBondContact O-NH1 3.48Å; P221-R434 PolarHBondContact O-NH2 2.97Å; P222-R434 PolarHBondContact O-NH2 2.9Å; P432-R434 PolarHBondContact O-N 2.85Å; R434-D436 PolarHBondContact O-N 3.3Å; R434-A437 VanDerWaalsContact O-CB 3.3Å; R434-A437 WeakPolarHBondContact O-CB 3.43Å; R434-A437 PolarHBondContact O-N 3.37Å
435	R	70.6	Confident	64.4	Low	174 Å²	174	93 Å²	93	66%	0.657	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-58.4	-32	-176.6	-70.3	-178.9	179.4	146.8	-0.3	113	E158 A437	E158-R435 IonicContact OE1-CZ 2.7Å; E158-R435 IonicContact OE1-NH1 3.61Å; E158-R435 PolarHBondContact OE1-NH1 2.82Å; E158-R435 IonicContact OE1-NH2 3.71Å; E158-R435 PolarHBondContact OE1-NH2 2.73Å; E158-R435 VanDerWaalsContact OE1-NH2 3.07Å; E158-R435 IonicContact OE2-CZ 2.91Å; E158-R435 IonicContact OE2-NH1 3.33Å; E158-R435 PolarHBondContact OE2-NH1 2.79Å; E158-R435 IonicContact OE2-NH2 2.67Å; E158-R435 PolarHBondContact OE2-NH2 2.81Å; R435-A437 PolarHBondContact O-N 3.26Å
436	D	60.3	Low	61.9	Low	156 Å²	156	95.3 Å²	95.3	83%	0.834	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-74.4	-7.8	179.6	-44.5	-55.1	0	0	0	113.5	R434 M438	R434-D436 PolarHBondContact O-N 3.3Å; D436-M438 VanDerWaalsContact C-N 3.26Å; D436-M438 PolarHBondContact O-N 3.38Å
437	A	46.6	Very low	59.4	Low	72 Å²	72	93.8 Å²	93.8	60%	0.595	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-85.8	11.9	177	0	0	0	0	0	113.6	R434 R435 P439	R434-A437 VanDerWaalsContact O-CB 3.3Å; R434-A437 WeakPolarHBondContact O-CB 3.43Å; R434-A437 PolarHBondContact O-N 3.37Å; R435-A437 PolarHBondContact O-N 3.26Å; A437-P439 VanDerWaalsContact O-CD 3.29Å; A437-P439 WeakPolarHBondContact O-CD 3.17Å
438	M	34.8	Very low	56.8	Low	150 Å²	150	93.4 Å²	93.4	74%	0.739	51%	0.512	S	S	*	.	S	Bend	trans	-57.4	118.3	162.2	-79.5	-67.9	-65.1	0	0	108.9	D436 S440	D436-M438 VanDerWaalsContact C-N 3.26Å; D436-M438 PolarHBondContact O-N 3.38Å; M438-S440 PolarHBondContact O-N 3.04Å
439	P	37.1	Very low	54.2	Low	106 Å²	106	100.6 Å²	100.6	69%	0.688	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-61	126.8	175.8	-20.4	32.7	0	0	0	109.1	A437 D441	A437-P439 VanDerWaalsContact O-CD 3.29Å; A437-P439 WeakPolarHBondContact O-CD 3.17Å; P439-D441 PolarHBondContact O-N 2.99Å
440	S	35.5	Very low	51.6	Low	103 Å²	103	103.5 Å²	103.5	72%	0.72	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-57.6	125.7	164.6	57.3	0	0	0	0	108.2	M438 A442	M438-S440 PolarHBondContact O-N 3.04Å; S440-A442 PolarHBondContact O-N 3.39Å
441	D	32.6	Very low	48.9	Very low	122 Å²	122	105.3 Å²	105.3	65%	0.652	59%	0.586	S	S	*	*	S	Bend	trans	-71.6	52.8	-175.1	-99.7	-43.7	0	0	0	113.6	P439 L444	P439-D441 PolarHBondContact O-N 2.99Å; D441-L444 WeakPolarHBondContact OD1-CD1 3.43Å
442	A	33	Very low	46.3	Very low	75 Å²	75	108.9 Å²	108.9	62%	0.62	61%	0.61	S	S	*	*	S	Bend	trans	-95	-15.4	-179.4	0	0	0	0	0	112.9	S440	S440-A442 PolarHBondContact O-N 3.39Å
443	N	32.7	Very low	43.5	Very low	124 Å²	124	112.9 Å²	112.9	66%	0.663	64%	0.638	S	S	*	*	S	Bend	trans	-117	6.2	-173.6	-121.2	-16.8	0	0	0	115.4	S446	N443-S446 PolarHBondContact O-OG 2.77Å; N443-S446 PolarHBondContact OD1-OG 3.46Å
444	L	34.6	Very low	40.9	Very low	113 Å²	113	116 Å²	116	59%	0.592	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-10.6	167.6	-97.1	158	0	0	0	113.2	D441 N448	D441-L444 WeakPolarHBondContact OD1-CD1 3.43Å; L444-N448 PolarHBondContact O-ND2 2.61Å; L444-N448 VanDerWaalsContact O-ND2 3.08Å
445	N	34.6	Very low	39	Very low	124 Å²	124	118.8 Å²	118.8	66%	0.663	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-9.7	176.1	-76.5	-45.5	0	0	0	114.4
446	S	37.9	Very low	37	Very low	55 Å²	55	119.2 Å²	119.2	39%	0.385	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-44.2	175.7	46.6	0	0	0	0	111.9	N443 N448 K449	N443-S446 PolarHBondContact O-OG 2.77Å; N443-S446 PolarHBondContact OD1-OG 3.46Å; S446-N448 PolarHBondContact O-N 3.11Å; S446-K449 PolarHBondContact O-N 3.14Å
447	I	37.8	Very low	35.8	Very low	112 Å²	112	115 Å²	115	57%	0.574	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-66.4	-35	-177.9	-63.1	173.8	0	0	0	112.3	K449 A450	I447-K449 PolarHBondContact O-N 3.03Å; I447-A450 PolarHBondContact O-N 3.13Å
448	N	35.5	Very low	35.4	Very low	109 Å²	109	117.5 Å²	117.5	58%	0.583	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-72.6	-8	178.5	-75	-56.6	0	0	0	114.4	L444 S446	L444-N448 PolarHBondContact O-ND2 2.61Å; L444-N448 VanDerWaalsContact O-ND2 3.08Å; S446-N448 PolarHBondContact O-N 3.11Å
449	K	36.2	Very low	35.6	Very low	167 Å²	167	117.7 Å²	117.7	73%	0.726	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-96.7	-14.6	176.7	-114.3	-179.6	178.8	179.9	0	114.4	S446 I447	S446-K449 PolarHBondContact O-N 3.14Å; I447-K449 PolarHBondContact O-N 3.03Å
450	A	37.1	Very low	35.3	Very low	76 Å²	76	118 Å²	118	63%	0.628	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-3.2	177.7	0	0	0	0	0	113.7	I447	I447-A450 PolarHBondContact O-N 3.13Å
451	L	37.4	Very low	35.6	Very low	143 Å²	143	121.3 Å²	121.3	75%	0.749	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	12	-178	-81.7	160.9	0	0	0	113.5
452	T	36.2	Very low	35.7	Very low	114 Å²	114	118.8 Å²	118.8	70%	0.699	71%	0.706	S	S	*	*	S	Bend	trans	-129.6	18.4	-176.2	58	0	0	0	0	113.4
453	S	33.3	Very low	36	Very low	91 Å²	91	120.2 Å²	120.2	64%	0.636	71%	0.712	S	S	*	*			trans	-150.1	45.3	-171	65.5	0	0	0	0	115.2
454	E	35.7	Very low	36.2	Very low	180 Å²	180	121.7 Å²	121.7	84%	0.841	72%	0.72	S	S	*	*	S	Bend	trans	-122.9	105.6	161.9	-72.6	-161.5	144.9	0	0	111.5
455	T	38.6	Very low	36.5	Very low	128 Å²	128	121.1 Å²	121.1	79%	0.785	73%	0.725	S	S	*	*			trans	38.2	93.5	143.6	58	0	0	0	0	119.4
456	N	30.2	Very low	36.8	Very low	183 Å²	183	119.7 Å²	119.7	98%	0.979	73%	0.725	S	S	*	*			trans	-74.9	125.4	135.1	-88.5	-16.7	0	0	0	107.5
457	G	34.1	Very low	37	Very low	68 Å²	68	123.8 Å²	123.8	70%	0.701	74%	0.742	S	S	*	*			trans	-147.3	41.7	-164.2	0	0	0	0	0	115.9
458	T	38.2	Very low	37.3	Very low	124 Å²	124	124.9 Å²	124.9	76%	0.761	75%	0.748	S	S	*	*			trans	-153	139.1	168.3	44.3	0	0	0	0	108.3
459	D	38.6	Very low	37.6	Very low	154 Å²	154	132.5 Å²	132.5	82%	0.824	78%	0.78	S	S	*	*			cis	-143.4	154.4	-13.5	-87.9	-47.8	0	0	0	109.1
460	S	32.4	Very low	37.7	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	78%	0.783	S	S	*	*			trans	-100.2	97.1	-178.1	60.5	0	0	0	0	113.1
461	N	41.2	Very low	37.7	Very low	173 Å²	173	133.6 Å²	133.6	93%	0.925	79%	0.791	S	S	*	*			trans	-165.1	145	161.5	-90	-44.1	0	0	0	108.1
462	G	35.5	Very low	37.8	Very low	69 Å²	69	133.1 Å²	133.1	71%	0.711	79%	0.793	S	S	*	*			cis	-167.8	155.3	-6.4	0	0	0	0	0	108.6
463	S	37.4	Very low	37.9	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	80%	0.799	S	S	*	*			trans	-81.6	151.7	-169.1	56	0	0	0	0	115.2
464	N	38	Very low	38.1	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	81%	0.809	S	S	*	*			trans	75.6	151.4	172.3	-49.3	-34.2	0	0	0	114.5
465	S	41.4	Very low	38.3	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	81%	0.806	S	S	*	*			cis	-150.3	142.3	14	56.9	0	0	0	0	114.2
466	S	40	Very low	38.3	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	81%	0.808	S	S	*	*			trans	23.4	147.7	143.4	62.9	0	0	0	0	123.5
467	N	42	Very low	38.9	Very low	141 Å²	141	130.8 Å²	130.8	75%	0.754	80%	0.795	S	S	*	*			trans	81.6	149.8	161.1	-59.9	-9.3	0	0	0	116.7
468	I	44.7	Very low	39.3	Very low	135 Å²	135	136 Å²	136	69%	0.692	80%	0.803	S	S	*	*			cis	-168.9	143.8	-32	-112.4	160.1	0	0	0	105.1
469	Q	42.4	Very low	39.4	Very low	269 Å²	269	137.1 Å²	137.1	100%	1.257	81%	0.807	S	S	*	*			trans	66.9	0	-179.5	-75.8	178.4	-45.7	0	0	116.8

Retrieved 469 of 469 residues in 2736.3 ms (Link to these results)

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