A0AA82N4Z3_SCHMA Loading...

MRP-S23 domain-containing protein

AlphaFold DB (A0A5K4FCB5), UniProt , Accession A0AA82N4Z3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	70.4	Confident	87.7	Confident	123 Å²	123	64.8 Å²	64.8	61%	0.606	37%	0.368	S	S	*	.				0	-52	0	-163.7	179.3	-70.8	0	0	113.1	G3 L4 P39 L42 F45	M1-G3 VanDerWaalsContact C-N 3.32Å; M1-G3 PolarHBondContact O-N 2.89Å; M1-L4 VanDerWaalsContact O-CB 3.23Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-P39 HydrophobicContact CE-CG 4.2Å; M1-L42 HydrophobicContact CE-CD1 4.39Å; M1-L42 HydrophobicContact CG-CD1 4.18Å; M1-F45 HydrophobicContact CG-CD1 3.74Å; M1-F45 HydrophobicContact CG-CE1 3.64Å; M1-F45 HydrophobicContact CG-CG 4.46Å; M1-F45 HydrophobicContact CG-CZ 4.29Å; M1-F45 HydrophobicContact SD-CD1 4Å; M1-F45 HydrophobicContact SD-CE1 4.36Å; M1-F45 HydrophobicContact SD-CG 4.16Å
2	F	78.4	Confident	87.2	Confident	192 Å²	192	62 Å²	62	84%	0.842	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.5	-173.7	-65.7	-68.8	0	0	0	116.3	L4	F2-L4 VanDerWaalsContact C-N 3.3Å; F2-L4 PolarHBondContact O-N 2.83Å
3	G	87.9	Confident	86.5	Confident	55 Å²	55	70.2 Å²	70.2	57%	0.567	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.1	177.2	0	0	0	0	0	114.8	M1 G6 F7	M1-G3 VanDerWaalsContact C-N 3.32Å; M1-G3 PolarHBondContact O-N 2.89Å; G3-G6 PolarHBondContact O-N 3.18Å; G3-F7 WeakPolarHBondContact O-CB 3.46Å; G3-F7 PolarHBondContact O-N 2.98Å
4	L	93.4	Very high	85.3	Confident	43 Å²	43	76.4 Å²	76.4	23%	0.225	41%	0.406	C	S	.	.	H	α-helix	trans	-66.6	-45	-170.1	-174.2	63.2	0	0	0	113.7	M1 F2 G6 F7 L8 I36 L42 L46	M1-L4 VanDerWaalsContact O-CB 3.23Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 3.13Å; F2-L4 VanDerWaalsContact C-N 3.3Å; F2-L4 PolarHBondContact O-N 2.83Å; L4-G6 VanDerWaalsContact C-N 3.33Å; L4-G6 PolarHBondContact O-N 2.92Å; L4-F7 HydrophobicContact CD1-CD1 4.19Å; L4-F7 WeakPolarHBondContact O-CB 3.44Å; L4-F7 PolarHBondContact O-N 2.77Å; L4-L8 HydrophobicContact CD1-CG 4.42Å; L4-L8 HydrophobicContact CG-CD1 4.49Å; L4-L8 WeakPolarHBondContact O-CG 3.33Å; L4-L8 PolarHBondContact O-N 3.22Å; L4-I36 HydrophobicContact CD2-CG2 4.06Å; L4-L42 HydrophobicContact CD2-CD1 3.86Å; L4-L46 HydrophobicContact CB-CD2 4.34Å; L4-L46 HydrophobicContact CD2-CD1 3.9Å; L4-L46 HydrophobicContact CD2-CD2 3.92Å; L4-L46 HydrophobicContact CD2-CG 4.29Å; L4-L46 HydrophobicContact CG-CD2 3.94Å
5	P	94.6	Very high	83.8	Confident	18 Å²	18	73.7 Å²	73.7	12%	0.117	40%	0.404	C	S	.	.	H	α-helix	trans	-57.6	-45.4	175.3	-21.8	31.2	0	0	0	112.1	F7 L8 C9 F45 L46 A49	P5-F7 VanDerWaalsContact C-N 3.33Å; P5-F7 PolarHBondContact O-N 2.93Å; P5-L8 PolarHBondContact O-N 3.19Å; P5-C9 PolarHBondContact O-N 3.22Å; P5-C9 VanDerWaalsContact O-N 3.11Å; P5-C9 PolarHBondContact O-SG 2.79Å; P5-F45 HydrophobicContact CG-CE1 3.73Å; P5-F45 HydrophobicContact CG-CZ 3.93Å; P5-L46 HydrophobicContact CG-CD2 3.92Å; P5-A49 HydrophobicContact CB-CB 4.08Å; P5-A49 HydrophobicContact CG-CB 3.76Å
6	G	91.9	Very high	82.3	Confident	42 Å²	42	74.8 Å²	74.8	43%	0.433	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-36.3	177.4	0	0	0	0	0	112.9	G3 L4 C9 T10	G3-G6 PolarHBondContact O-N 3.18Å; L4-G6 VanDerWaalsContact C-N 3.33Å; L4-G6 PolarHBondContact O-N 2.92Å; G6-C9 PolarHBondContact O-N 3.48Å; G6-T10 WeakPolarHBondContact O-CB 3.4Å; G6-T10 PolarHBondContact O-N 3.07Å; G6-T10 PolarHBondContact O-OG1 2.89Å
7	F	90.6	Very high	80.9	Confident	121 Å²	121	72 Å²	72	53%	0.531	40%	0.395	S	S	.	.	H	α-helix	trans	-64.4	-44.2	174.9	179.3	-114.5	0	0	0	112	G3 L4 P5 C9 T10 I11	G3-F7 WeakPolarHBondContact O-CB 3.46Å; G3-F7 PolarHBondContact O-N 2.98Å; L4-F7 HydrophobicContact CD1-CD1 4.19Å; L4-F7 WeakPolarHBondContact O-CB 3.44Å; L4-F7 PolarHBondContact O-N 2.77Å; P5-F7 VanDerWaalsContact C-N 3.33Å; P5-F7 PolarHBondContact O-N 2.93Å; F7-C9 PolarHBondContact O-N 3.38Å; F7-T10 WeakPolarHBondContact O-CB 3.37Å; F7-T10 PolarHBondContact O-N 3.42Å; F7-T10 VanDerWaalsContact O-N 3.08Å; F7-I11 HydrophobicContact CD1-CD1 3.84Å; F7-I11 HydrophobicContact CE1-CD1 3.41Å; F7-I11 VanDerWaalsContact CE1-CD1 3.41Å; F7-I11 HydrophobicContact CE1-CG1 4.32Å; F7-I11 HydrophobicContact CE2-CD1 4.27Å; F7-I11 HydrophobicContact CE2-CG1 4.32Å; F7-I11 HydrophobicContact CG-CD1 4.44Å; F7-I11 HydrophobicContact CZ-CD1 3.66Å; F7-I11 HydrophobicContact CZ-CG1 4.14Å; F7-I11 WeakPolarHBondContact O-CG1 3.39Å; F7-I11 PolarHBondContact O-N 2.95Å
8	L	92	Very high	79.9	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.016	42%	0.417	C	S	.	.	H	α-helix	trans	-60.2	-44.1	175.7	-67	175.9	0	0	0	111.7	L4 P5 T10 I11 D12 I34 I36 L46 L57 Y59	L4-L8 HydrophobicContact CD1-CG 4.42Å; L4-L8 HydrophobicContact CG-CD1 4.49Å; L4-L8 WeakPolarHBondContact O-CG 3.33Å; L4-L8 PolarHBondContact O-N 3.22Å; P5-L8 PolarHBondContact O-N 3.19Å; L8-T10 VanDerWaalsContact C-N 3.28Å; L8-T10 PolarHBondContact O-N 3.23Å; L8-I11 PolarHBondContact O-N 3.44Å; L8-D12 PolarHBondContact O-N 3Å; L8-I34 HydrophobicContact CD2-CG2 4.5Å; L8-I36 HydrophobicContact CD1-CD1 3.76Å; L8-I36 HydrophobicContact CD2-CD1 3.91Å; L8-I36 HydrophobicContact CG-CD1 4.45Å; L8-L46 HydrophobicContact CD1-CD1 4.2Å; L8-L46 HydrophobicContact CD1-CD2 3.97Å; L8-L57 HydrophobicContact CB-CD1 4.33Å; L8-Y59 VanDerWaalsContact C-OH 3.28Å; L8-Y59 WeakPolarHBondContact CA-OH 3.42Å; L8-Y59 WeakPolarHBondContact CB-OH 3.45Å; L8-Y59 PolarHBondContact O-OH 3.37Å
9	C	91.2	Very high	79	Confident	34 Å²	34	80.6 Å²	80.6	23%	0.23	44%	0.44	C	S	.	.	H	α-helix	trans	-62.8	-34.9	173.9	-62.4	0	0	0	0	112.6	P5 G6 F7 D12 Q13	P5-C9 PolarHBondContact O-N 3.22Å; P5-C9 VanDerWaalsContact O-N 3.11Å; P5-C9 PolarHBondContact O-SG 2.79Å; G6-C9 PolarHBondContact O-N 3.48Å; F7-C9 PolarHBondContact O-N 3.38Å; C9-D12 WeakPolarHBondContact O-CB 3.48Å; C9-D12 PolarHBondContact O-N 2.96Å; C9-Q13 WeakPolarHBondContact O-CG 3.49Å; C9-Q13 PolarHBondContact O-N 3.48Å
10	T	88.6	Confident	78.1	Confident	64 Å²	64	81.2 Å²	81.2	39%	0.393	45%	0.446	S	S	.	.	H	α-helix	trans	-69.3	-38.1	178.6	-56.5	0	0	0	0	111.8	G6 F7 L8 D12	G6-T10 WeakPolarHBondContact O-CB 3.4Å; G6-T10 PolarHBondContact O-N 3.07Å; G6-T10 PolarHBondContact O-OG1 2.89Å; F7-T10 WeakPolarHBondContact O-CB 3.37Å; F7-T10 PolarHBondContact O-N 3.42Å; F7-T10 VanDerWaalsContact O-N 3.08Å; L8-T10 VanDerWaalsContact C-N 3.28Å; L8-T10 PolarHBondContact O-N 3.23Å; T10-D12 VanDerWaalsContact C-N 3.29Å; T10-D12 PolarHBondContact O-N 3.4Å
11	I	85.4	Confident	77.6	Confident	18 Å²	18	83.6 Å²	83.6	9%	0.092	46%	0.457	C	S	.	.	H	α-helix	trans	-60.4	-43.2	173.2	-70	165.5	0	0	0	110.1	F7 L8 Q13 K14 G15 A17 L22 I34 Y59	F7-I11 HydrophobicContact CD1-CD1 3.84Å; F7-I11 HydrophobicContact CE1-CD1 3.41Å; F7-I11 VanDerWaalsContact CE1-CD1 3.41Å; F7-I11 HydrophobicContact CE1-CG1 4.32Å; F7-I11 HydrophobicContact CE2-CD1 4.27Å; F7-I11 HydrophobicContact CE2-CG1 4.32Å; F7-I11 HydrophobicContact CG-CD1 4.44Å; F7-I11 HydrophobicContact CZ-CD1 3.66Å; F7-I11 HydrophobicContact CZ-CG1 4.14Å; F7-I11 WeakPolarHBondContact O-CG1 3.39Å; F7-I11 PolarHBondContact O-N 2.95Å; L8-I11 PolarHBondContact O-N 3.44Å; I11-Q13 PolarHBondContact O-N 3.15Å; I11-K14 PolarHBondContact O-N 2.95Å; I11-K14 VanDerWaalsContact O-N 3.17Å; I11-G15 PolarHBondContact O-N 3.32Å; I11-A17 HydrophobicContact CG2-CB 4Å; I11-L22 HydrophobicContact CG2-CD1 3.44Å; I11-L22 VanDerWaalsContact CG2-CD1 3.44Å; I11-I34 HydrophobicContact CD1-CD1 4.27Å; I11-I34 HydrophobicContact CG2-CD1 3.99Å; I11-Y59 HydrophobicContact CB-CE1 4.39Å; I11-Y59 HydrophobicContact CG2-CE1 3.96Å
12	D	82.6	Confident	77.6	Confident	31 Å²	31	78.7 Å²	78.7	17%	0.166	43%	0.433	C	S	.	.	H	α-helix	trans	-61.8	-45.3	-177.9	-162.9	56.7	0	0	0	112.8	L8 C9 T10 K14 G15 L57 S58 Y59	L8-D12 PolarHBondContact O-N 3Å; C9-D12 WeakPolarHBondContact O-CB 3.48Å; C9-D12 PolarHBondContact O-N 2.96Å; T10-D12 VanDerWaalsContact C-N 3.29Å; T10-D12 PolarHBondContact O-N 3.4Å; D12-K14 PolarHBondContact O-N 2.95Å; D12-K14 VanDerWaalsContact O-N 3.14Å; D12-G15 PolarHBondContact O-N 3.3Å; D12-L57 HydrophobicContact CB-CD2 3.99Å; D12-S58 WeakPolarHBondContact OD1-CA 3.23Å; D12-S58 VanDerWaalsContact OD1-CB 3.3Å; D12-S58 WeakPolarHBondContact OD1-CB 3.3Å; D12-S58 PolarHBondContact OD1-N 3.36Å; D12-S58 PolarHBondContact OD1-OG 2.91Å; D12-S58 PolarHBondContact OD2-N 3.24Å; D12-Y59 HydrophobicContact CB-CD1 4.24Å; D12-Y59 HydrophobicContact CB-CE1 3.66Å; D12-Y59 VanDerWaalsContact OD1-CD1 3.23Å; D12-Y59 WeakPolarHBondContact OD1-CD1 3.44Å; D12-Y59 WeakPolarHBondContact OD1-CE1 3.48Å
13	Q	77.2	Confident	77	Confident	169 Å²	169	75.1 Å²	75.1	79%	0.79	42%	0.419	S	S	*	.	H	α-helix	trans	-61	-25	178.3	-72	177.4	-2	0	0	113.4	C9 I11	C9-Q13 WeakPolarHBondContact O-CG 3.49Å; C9-Q13 PolarHBondContact O-N 3.48Å; I11-Q13 PolarHBondContact O-N 3.15Å
14	K	70.3	Confident	75.9	Confident	157 Å²	157	78.5 Å²	78.5	68%	0.683	42%	0.424	S	S	*	.	H	α-helix	trans	-87.8	-16.1	176.8	-67.4	-176	178.1	-176.2	0	112.6	I11 D12 E16	I11-K14 PolarHBondContact O-N 2.95Å; I11-K14 VanDerWaalsContact O-N 3.17Å; D12-K14 PolarHBondContact O-N 2.95Å; D12-K14 VanDerWaalsContact O-N 3.14Å; K14-E16 PolarHBondContact O-N 3.08Å; K14-E16 VanDerWaalsContact O-N 3.08Å
15	G	63	Low	74.4	Confident	36 Å²	36	78.1 Å²	78.1	37%	0.371	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-2.6	-174.4	0	0	0	0	0	114.5	I11 D12	I11-G15 PolarHBondContact O-N 3.32Å; D12-G15 PolarHBondContact O-N 3.3Å
16	E	60	Low	73	Confident	90 Å²	90	81.3 Å²	81.3	42%	0.421	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136.1	-173.2	-61.4	179.7	177.2	0	0	109.5	K14 N18 V20	K14-E16 PolarHBondContact O-N 3.08Å; K14-E16 VanDerWaalsContact O-N 3.08Å; E16-N18 WeakPolarHBondContact CB-O 3.48Å; E16-V20 WeakPolarHBondContact CA-O 3.15Å
17	A	57.3	Low	71.5	Confident	28 Å²	28	84.9 Å²	84.9	23%	0.231	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	94.6	164.2	0	0	0	0	0	107.7	I11 N19 V20 L22	I11-A17 HydrophobicContact CG2-CB 4Å; A17-N19 PolarHBondContact O-N 3.41Å; A17-V20 PolarHBondContact N-O 2.94Å; A17-V20 VanDerWaalsContact N-O 3.07Å; A17-V20 PolarHBondContact O-N 2.9Å; A17-L22 HydrophobicContact CB-CD2 4.19Å
18	N	64.3	Low	70.1	Confident	150 Å²	150	87.5 Å²	87.5	80%	0.802	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-115	-166.3	-57.6	-48.7	0	0	0	111.4	E16	E16-N18 WeakPolarHBondContact CB-O 3.48Å
19	N	61.5	Low	68.8	Low	157 Å²	157	89.2 Å²	89.2	84%	0.84	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	11.7	179.4	-60.9	-21.9	0	0	0	112.2	A17	A17-N19 PolarHBondContact O-N 3.41Å
20	V	61.5	Low	67.9	Low	93 Å²	93	92.8 Å²	92.8	56%	0.564	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.4	179.9	-176.3	0	0	0	0	108.3	E16 A17 L22	E16-V20 WeakPolarHBondContact CA-O 3.15Å; A17-V20 PolarHBondContact N-O 2.94Å; A17-V20 VanDerWaalsContact N-O 3.07Å; A17-V20 PolarHBondContact O-N 2.9Å; V20-L22 PolarHBondContact O-N 3.35Å
21	I	66.7	Low	67.7	Low	132 Å²	132	92.8 Å²	92.8	68%	0.677	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	124.1	170.9	-59	173.8	0	0	0	107.5
22	L	70.7	Confident	67.9	Low	20 Å²	20	92.5 Å²	92.5	11%	0.105	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-83.9	130.4	-179.7	-60.6	174.7	0	0	0	109.5	I11 A17 V20 I34 Y59	I11-L22 HydrophobicContact CG2-CD1 3.44Å; I11-L22 VanDerWaalsContact CG2-CD1 3.44Å; A17-L22 HydrophobicContact CB-CD2 4.19Å; V20-L22 PolarHBondContact O-N 3.35Å; L22-I34 HydrophobicContact CD1-CD1 4.04Å; L22-I34 HydrophobicContact CD2-CD1 4.21Å; L22-I34 HydrophobicContact CD2-CG1 3.97Å; L22-Y59 HydrophobicContact CB-CG 4.35Å; L22-Y59 HydrophobicContact CD1-CD1 3.43Å; L22-Y59 VanDerWaalsContact CD1-CD1 3.43Å; L22-Y59 HydrophobicContact CD1-CD2 4.47Å; L22-Y59 HydrophobicContact CD1-CE1 3.87Å; L22-Y59 HydrophobicContact CD1-CG 3.76Å
23	E	66.8	Low	68.3	Low	117 Å²	117	92.8 Å²	92.8	55%	0.547	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-66.2	137.9	175.1	-65.3	-175.4	177.4	0	0	110.8	N29 S33	E23-N29 PolarHBondContact OE2-ND2 3.19Å; E23-S33 PolarHBondContact O-OG 2.96Å; E23-S33 VanDerWaalsContact O-OG 3.08Å
24	D	64.7	Low	69	Low	125 Å²	125	86 Å²	86	67%	0.668	48%	0.481	S	S	*	.	B	Isolated β-bridge	trans	-57.4	153.2	175.4	-79.5	-23.9	0	0	0	111.7	N26	D24-N26 PolarHBondContact O-N 3.26Å
25	S	61.2	Low	70.1	Confident	36 Å²	36	82.2 Å²	82.2	25%	0.252	47%	0.469	S	S	.	.			trans	-68.2	62.4	173.7	47.2	0	0	0	0	113.5	P27 S58	S25-P27 WeakPolarHBondContact O-CD 3.32Å; S25-S58 VanDerWaalsContact CB-O 3.27Å; S25-S58 WeakPolarHBondContact CB-O 3.44Å; S25-S58 PolarHBondContact N-O 3.44Å; S25-S58 PolarHBondContact OG-O 3.32Å
26	N	64.9	Low	71.8	Confident	85 Å²	85	81.3 Å²	81.3	46%	0.455	46%	0.455	S	S	.	.			trans	-68.2	121.4	166.8	-172.1	-18.7	0	0	0	109.1	D24 Q28 N29 R97	D24-N26 PolarHBondContact O-N 3.26Å; N26-Q28 PolarHBondContact O-N 2.95Å; N26-Q28 VanDerWaalsContact O-N 3.09Å; N26-Q28 PolarHBondContact OD1-N 3.18Å; N26-N29 PolarHBondContact O-N 3Å; N26-R97 PolarHBondContact O-NH2 3.26Å
27	P	60.3	Low	73.6	Confident	117 Å²	117	79.6 Å²	79.6	76%	0.76	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.2	178.4	-23.5	33.1	0	0	0	113.9	S25	S25-P27 WeakPolarHBondContact O-CD 3.32Å
28	Q	61.6	Low	75.4	Confident	176 Å²	176	78.4 Å²	78.4	82%	0.822	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.9	179	-62.5	-168.3	-4.4	0	0	113.7	N26 S30	N26-Q28 PolarHBondContact O-N 2.95Å; N26-Q28 VanDerWaalsContact O-N 3.09Å; N26-Q28 PolarHBondContact OD1-N 3.18Å; Q28-S30 PolarHBondContact O-N 3.25Å
29	N	65.4	Low	76.9	Confident	38 Å²	38	72.8 Å²	72.8	20%	0.203	41%	0.407	C	S	.	.			trans	-80.8	113.1	178.5	-166.9	-8.1	0	0	0	109.7	E23 N26 S31 R97	E23-N29 PolarHBondContact OE2-ND2 3.19Å; N26-N29 PolarHBondContact O-N 3Å; N29-S31 VanDerWaalsContact C-N 3.32Å; N29-S31 PolarHBondContact ND2-OG 3.14Å; N29-S31 WeakPolarHBondContact OD1-CB 3.22Å; N29-S31 PolarHBondContact OD1-N 2.95Å; N29-S31 PolarHBondContact OD1-OG 3.25Å; N29-R97 PolarHBondContact O-NE 3.02Å
30	S	72.2	Confident	78.5	Confident	110 Å²	110	68.5 Å²	68.5	77%	0.769	38%	0.381	S	S	*	.			trans	-76.5	-21.6	176.1	60.1	0	0	0	0	112.9	Q28	Q28-S30 PolarHBondContact O-N 3.25Å
31	S	83.6	Confident	80	Confident	63 Å²	63	64.6 Å²	64.6	44%	0.441	36%	0.359	S	S	.	.	S	Bend	trans	-80.6	148.4	179	73.5	0	0	0	0	111.1	N29 T60	N29-S31 VanDerWaalsContact C-N 3.32Å; N29-S31 PolarHBondContact ND2-OG 3.14Å; N29-S31 WeakPolarHBondContact OD1-CB 3.22Å; N29-S31 PolarHBondContact OD1-N 2.95Å; N29-S31 PolarHBondContact OD1-OG 3.25Å; S31-T60 PolarHBondContact O-OG1 3.26Å
32	A	90.5	Very high	81.4	Confident	12 Å²	12	58.7 Å²	58.7	10%	0.099	33%	0.329	C	S	.	.			trans	-96.4	133.6	175.3	0	0	0	0	0	110.9	I34 N35 T60 A62 R97	A32-I34 VanDerWaalsContact C-N 3.27Å; A32-I34 PolarHBondContact O-N 3.42Å; A32-N35 PolarHBondContact O-ND2 3.42Å; A32-N35 VanDerWaalsContact O-ND2 3.17Å; A32-T60 WeakPolarHBondContact CA-OG1 3.41Å; A32-A62 HydrophobicContact CB-CB 3.54Å; A32-A62 VanDerWaalsContact CB-N 3.34Å; A32-R97 HydrophobicContact CB-CB 4.16Å; A32-R97 HydrophobicContact CB-CG 4.25Å
33	S	89.8	Confident	82.7	Confident	37 Å²	37	59.5 Å²	59.5	26%	0.259	33%	0.331	S	S	.	.	S	Bend	trans	-64	-33.6	173.4	-43.2	0	0	0	0	111.6	E23 T60	E23-S33 PolarHBondContact O-OG 2.96Å; E23-S33 VanDerWaalsContact O-OG 3.08Å; S33-T60 PolarHBondContact N-O 2.89Å; S33-T60 VanDerWaalsContact N-O 3.08Å; S33-T60 PolarHBondContact N-OG1 2.94Å; S33-T60 PolarHBondContact OG-OG1 3.16Å
34	I	92.1	Very high	84.1	Confident	26 Å²	26	55.8 Å²	55.8	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.9	175.9	-56.8	-166.8	0	0	0	110.7	L8 I11 L22 A32 I36 Y59 T60 Y61 A62	L8-I34 HydrophobicContact CD2-CG2 4.5Å; I11-I34 HydrophobicContact CD1-CD1 4.27Å; I11-I34 HydrophobicContact CG2-CD1 3.99Å; L22-I34 HydrophobicContact CD1-CD1 4.04Å; L22-I34 HydrophobicContact CD2-CD1 4.21Å; L22-I34 HydrophobicContact CD2-CG1 3.97Å; A32-I34 VanDerWaalsContact C-N 3.27Å; A32-I34 PolarHBondContact O-N 3.42Å; I34-I36 HydrophobicContact CG2-CG1 4.01Å; I34-Y59 HydrophobicContact CB-CD2 4.46Å; I34-Y59 HydrophobicContact CB-CE2 4.25Å; I34-Y59 HydrophobicContact CD1-CD2 3.8Å; I34-Y59 HydrophobicContact CD1-CE1 4.25Å; I34-Y59 HydrophobicContact CD1-CE2 3.33Å; I34-Y59 HydrophobicContact CD1-CG 4.46Å; I34-Y59 HydrophobicContact CG1-CD2 3.88Å; I34-Y59 HydrophobicContact CG1-CE2 3.82Å; I34-T60 PolarHBondContact N-O 3.47Å; I34-Y61 CarbonylContact O-C 3.58Å; I34-Y61 WeakPolarHBondContact O-CA 3.36Å; I34-A62 PolarHBondContact O-N 2.97Å
35	N	94.6	Very high	85.6	Confident	79 Å²	79	52.8 Å²	52.8	42%	0.422	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.9	177.1	-65.4	-87.7	0	0	0	109.7	A32 Y37 H64	A32-N35 PolarHBondContact O-ND2 3.42Å; A32-N35 VanDerWaalsContact O-ND2 3.17Å; N35-Y37 HydrophobicContact CB-CE2 3.73Å; N35-H64 PolarHBondContact OD1-NE2 3.39Å
36	I	97.1	Very high	87.2	Confident	16 Å²	16	51 Å²	51	8%	0.082	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.8	-173.8	-54.1	172.9	0	0	0	108	L4 L8 I34 L42 L46 Y61 A62 V63 H64	L4-I36 HydrophobicContact CD2-CG2 4.06Å; L8-I36 HydrophobicContact CD1-CD1 3.76Å; L8-I36 HydrophobicContact CD2-CD1 3.91Å; L8-I36 HydrophobicContact CG-CD1 4.45Å; I34-I36 HydrophobicContact CG2-CG1 4.01Å; I36-L42 HydrophobicContact CG2-CD2 3.8Å; I36-L46 HydrophobicContact CD1-CD1 3.66Å; I36-L46 HydrophobicContact CG2-CD1 4.22Å; I36-Y61 HydrophobicContact CD1-CD2 4.01Å; I36-Y61 HydrophobicContact CD1-CG 4.45Å; I36-A62 PolarHBondContact N-O 3.02Å; I36-V63 HydrophobicContact CB-CG2 4.39Å; I36-V63 HydrophobicContact CD1-CG2 4.41Å; I36-V63 CarbonylContact O-C 3.57Å; I36-V63 WeakPolarHBondContact O-CA 3.2Å; I36-H64 PolarHBondContact O-N 3.2Å
37	Y	97.7	Very high	88.7	Confident	55 Å²	55	47.9 Å²	47.9	22%	0.216	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.1	-179.2	-62.5	-98.2	0	0	0	110	N35 H64 R100 I102 I113 T114	N35-Y37 HydrophobicContact CB-CE2 3.73Å; Y37-H64 WeakPolarHBondContact CA-O 3.17Å; Y37-H64 HydrophobicContact CD1-CB 3.58Å; Y37-H64 HydrophobicContact CE1-CB 3.64Å; Y37-H64 AromaticContact CE1-CD2 3.55Å; Y37-H64 AromaticContact CE1-CG 3.66Å; Y37-H64 AromaticContact CE2-CD2 3.85Å; Y37-H64 HydrophobicContact CG-CB 4.32Å; Y37-H64 AromaticContact CZ-CD2 3.43Å; Y37-H64 VanDerWaalsContact CZ-CD2 3.43Å; Y37-R100 PolarHBondContact OH-NH2 2.85Å; Y37-I102 HydrophobicContact CD1-CD1 4.22Å; Y37-I102 HydrophobicContact CE1-CD1 4.16Å; Y37-I113 HydrophobicContact CD1-CB 4.32Å; Y37-I113 HydrophobicContact CD1-CD1 3.73Å; Y37-I113 HydrophobicContact CD1-CG1 3.9Å; Y37-I113 HydrophobicContact CE1-CB 4.37Å; Y37-I113 HydrophobicContact CE1-CD1 4.39Å; Y37-I113 HydrophobicContact CE1-CG1 4.07Å; Y37-I113 WeakPolarHBondContact CE1-O 3.27Å; Y37-I113 HydrophobicContact CG-CD1 4.06Å; Y37-T114 HydrophobicContact CE2-CG2 4.33Å
38	G	96.4	Very high	90.4	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178	-173.8	177.2	0	0	0	0	0	113.1	H64 E65 L66	G38-H64 PolarHBondContact N-O 2.78Å; G38-E65 CarbonylContact O-C 3.53Å; G38-E65 VanDerWaalsContact O-CA 3.26Å; G38-E65 WeakPolarHBondContact O-CA 3.29Å; G38-L66 PolarHBondContact O-N 3.09Å
39	P	95.1	Very high	92	Very high	33 Å²	33	37.8 Å²	37.8	21%	0.214	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	159.5	-177.4	30	-36.2	0	0	0	112.4	M1 G41 L42 L68	M1-P39 HydrophobicContact CE-CG 4.2Å; P39-G41 PolarHBondContact O-N 2.74Å; P39-L42 VanDerWaalsContact O-CB 3.27Å; P39-L42 WeakPolarHBondContact O-CB 3.41Å; P39-L42 PolarHBondContact O-N 3.05Å; P39-L68 HydrophobicContact CB-CD1 3.7Å
40	K	94.9	Very high	93.4	Very high	66 Å²	66	36 Å²	36	29%	0.287	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	135.4	170.9	-170.2	-179.7	-176.6	177.7	0	111.7	L66 I67 L83 E84	K40-L66 PolarHBondContact N-O 2.85Å; K40-I67 HydrophobicContact CB-CD1 4.25Å; K40-I67 HydrophobicContact CD-CD1 4.27Å; K40-I67 HydrophobicContact CG-CD1 4.29Å; K40-L83 HydrophobicContact CD-CB 4.37Å; K40-L83 HydrophobicContact CD-CD1 4.49Å; K40-L83 HydrophobicContact CG-CB 4.07Å; K40-L83 HydrophobicContact CG-CD1 4.39Å; K40-E84 VanDerWaalsContact CE-CG 3.44Å; K40-E84 WeakPolarHBondContact CE-OE1 3.33Å; K40-E84 IonicContact NZ-OE1 3.41Å; K40-E84 PolarHBondContact NZ-OE1 3.02Å
41	G	94.1	Very high	94.5	Very high	11 Å²	11	32.6 Å²	32.6	11%	0.113	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	102	-18.7	-176	0	0	0	0	0	113.5	P39 R43 R44 F45 E65 L83	P39-G41 PolarHBondContact O-N 2.74Å; G41-R43 VanDerWaalsContact C-N 3.31Å; G41-R43 PolarHBondContact O-N 3.26Å; G41-R44 PolarHBondContact O-N 3.04Å; G41-F45 VanDerWaalsContact O-CB 3.31Å; G41-F45 WeakPolarHBondContact O-CB 3.3Å; G41-F45 PolarHBondContact O-N 2.66Å; G41-E65 WeakPolarHBondContact CA-OE1 3.3Å; G41-E65 PolarHBondContact N-OE1 3.35Å; G41-L83 WeakPolarHBondContact CA-O 3.19Å
42	L	96.2	Very high	95.1	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-40.5	177.1	-179.2	58.5	0	0	0	112.5	M1 L4 I36 P39 F45 L46 V63 E65	M1-L42 HydrophobicContact CE-CD1 4.39Å; M1-L42 HydrophobicContact CG-CD1 4.18Å; L4-L42 HydrophobicContact CD2-CD1 3.86Å; I36-L42 HydrophobicContact CG2-CD2 3.8Å; P39-L42 VanDerWaalsContact O-CB 3.27Å; P39-L42 WeakPolarHBondContact O-CB 3.41Å; P39-L42 PolarHBondContact O-N 3.05Å; L42-F45 HydrophobicContact CD1-CD1 4.33Å; L42-F45 PolarHBondContact O-N 3.44Å; L42-L46 HydrophobicContact CD1-CD1 4.14Å; L42-L46 HydrophobicContact CD1-CG 4.08Å; L42-L46 HydrophobicContact CG-CD1 4.22Å; L42-L46 WeakPolarHBondContact O-CB 3.37Å; L42-L46 WeakPolarHBondContact O-CG 3.35Å; L42-L46 PolarHBondContact O-N 3.11Å; L42-V63 HydrophobicContact CB-CG1 4.11Å; L42-V63 HydrophobicContact CD2-CG1 4.01Å; L42-V63 HydrophobicContact CG-CG1 3.84Å; L42-E65 PolarHBondContact N-OE1 3.39Å
43	R	96.9	Very high	95.3	Very high	37 Å²	37	39.6 Å²	39.6	14%	0.14	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-50.5	179.3	-176.4	-176	-53.9	121.3	-1.1	110.5	G41 L46 R47 V63 E65 R100 D101	G41-R43 VanDerWaalsContact C-N 3.31Å; G41-R43 PolarHBondContact O-N 3.26Å; R43-L46 PolarHBondContact O-N 2.81Å; R43-R47 VanDerWaalsContact O-CB 3.23Å; R43-R47 WeakPolarHBondContact O-CB 3.47Å; R43-R47 PolarHBondContact O-N 3.48Å; R43-V63 HydrophobicContact CB-CB 3.9Å; R43-V63 HydrophobicContact CB-CG1 3.85Å; R43-V63 HydrophobicContact CB-CG2 4.5Å; R43-V63 HydrophobicContact CG-CB 4.1Å; R43-V63 PolarHBondContact NE-O 3.34Å; R43-V63 PolarHBondContact NH2-O 3.24Å; R43-E65 HydrophobicContact CB-CG 4.27Å; R43-E65 WeakPolarHBondContact CB-OE1 3.38Å; R43-E65 IonicContact CZ-OE2 3.49Å; R43-E65 VanDerWaalsContact CZ-OE2 3.27Å; R43-E65 PolarHBondContact N-OE1 2.92Å; R43-E65 IonicContact NH1-OE2 3.55Å; R43-E65 PolarHBondContact NH1-OE2 2.79Å; R43-E65 IonicContact NH2-OE2 3.81Å; R43-R100 PolarHBondContact NH2-O 2.71Å; R43-D101 IonicContact CZ-OD1 2.68Å; R43-D101 IonicContact NH1-OD1 2.8Å; R43-D101 PolarHBondContact NH1-OD1 2.86Å; R43-D101 VanDerWaalsContact NH1-OD1 3.11Å; R43-D101 IonicContact NH2-OD1 3.26Å; R43-D101 PolarHBondContact NH2-OD1 2.77Å
44	R	96.1	Very high	95.4	Very high	39 Å²	39	48.2 Å²	48.2	15%	0.147	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-44.7	177.5	-167.5	-179.8	-166.5	-144.8	-5.5	111.4	G41 R47 L48 C82 L83 E84 A85 D90	G41-R44 PolarHBondContact O-N 3.04Å; R44-R47 PolarHBondContact O-N 3.31Å; R44-L48 HydrophobicContact CG-CD1 3.97Å; R44-L48 HydrophobicContact CG-CG 4.39Å; R44-L48 WeakPolarHBondContact O-CB 3.27Å; R44-L48 WeakPolarHBondContact O-CG 3.41Å; R44-L48 PolarHBondContact O-N 2.91Å; R44-C82 PolarHBondContact NH1-O 2.76Å; R44-L83 WeakPolarHBondContact CB-O 3.43Å; R44-E84 WeakPolarHBondContact CD-O 3.38Å; R44-E84 PolarHBondContact NE-O 3.48Å; R44-A85 HydrophobicContact CB-CB 3.92Å; R44-A85 HydrophobicContact CG-CB 3.94Å; R44-D90 IonicContact CZ-OD2 3.28Å; R44-D90 VanDerWaalsContact CZ-OD2 3.29Å; R44-D90 IonicContact NE-OD2 3.46Å; R44-D90 PolarHBondContact NE-OD2 3.19Å; R44-D90 IonicContact NH2-OD1 2.97Å; R44-D90 IonicContact NH2-OD2 2.98Å; R44-D90 PolarHBondContact NH2-OD2 2.76Å
45	F	95.9	Very high	95.4	Very high	62 Å²	62	48.2 Å²	48.2	27%	0.272	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-52	177.7	170.4	-104.8	0	0	0	111.9	M1 P5 G41 L42 A49	M1-F45 HydrophobicContact CG-CD1 3.74Å; M1-F45 HydrophobicContact CG-CE1 3.64Å; M1-F45 HydrophobicContact CG-CG 4.46Å; M1-F45 HydrophobicContact CG-CZ 4.29Å; M1-F45 HydrophobicContact SD-CD1 4Å; M1-F45 HydrophobicContact SD-CE1 4.36Å; M1-F45 HydrophobicContact SD-CG 4.16Å; P5-F45 HydrophobicContact CG-CE1 3.73Å; P5-F45 HydrophobicContact CG-CZ 3.93Å; G41-F45 VanDerWaalsContact O-CB 3.31Å; G41-F45 WeakPolarHBondContact O-CB 3.3Å; G41-F45 PolarHBondContact O-N 2.66Å; L42-F45 HydrophobicContact CD1-CD1 4.33Å; L42-F45 PolarHBondContact O-N 3.44Å; F45-A49 WeakPolarHBondContact O-CB 3.27Å; F45-A49 PolarHBondContact O-N 3.16Å
46	L	96.7	Very high	94.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-46.7	179.4	-75	179.7	0	0	0	111.9	L4 P5 L8 I36 L42 R43 L48 A49 L50 V63	L4-L46 HydrophobicContact CB-CD2 4.34Å; L4-L46 HydrophobicContact CD2-CD1 3.9Å; L4-L46 HydrophobicContact CD2-CD2 3.92Å; L4-L46 HydrophobicContact CD2-CG 4.29Å; L4-L46 HydrophobicContact CG-CD2 3.94Å; P5-L46 HydrophobicContact CG-CD2 3.92Å; L8-L46 HydrophobicContact CD1-CD1 4.2Å; L8-L46 HydrophobicContact CD1-CD2 3.97Å; I36-L46 HydrophobicContact CD1-CD1 3.66Å; I36-L46 HydrophobicContact CG2-CD1 4.22Å; L42-L46 HydrophobicContact CD1-CD1 4.14Å; L42-L46 HydrophobicContact CD1-CG 4.08Å; L42-L46 HydrophobicContact CG-CD1 4.22Å; L42-L46 WeakPolarHBondContact O-CB 3.37Å; L42-L46 WeakPolarHBondContact O-CG 3.35Å; L42-L46 PolarHBondContact O-N 3.11Å; R43-L46 PolarHBondContact O-N 2.81Å; L46-L48 PolarHBondContact O-N 3.33Å; L46-A49 PolarHBondContact O-N 3.35Å; L46-L50 WeakPolarHBondContact O-CB 3.48Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.4Å; L46-L50 PolarHBondContact O-N 2.92Å; L46-V63 HydrophobicContact CD1-CG2 3.83Å
47	R	95.8	Very high	94.5	Very high	19 Å²	19	49.1 Å²	49.1	7%	0.072	25%	0.252	C	S	.	.	H	α-helix	trans	-55.9	-51.7	178.3	-176.9	-177.9	-65.3	169.3	4.9	111.2	R43 R44 A51 D90 P91 L93 E96	R43-R47 VanDerWaalsContact O-CB 3.23Å; R43-R47 WeakPolarHBondContact O-CB 3.47Å; R43-R47 PolarHBondContact O-N 3.48Å; R44-R47 PolarHBondContact O-N 3.31Å; R47-A51 WeakPolarHBondContact O-CB 3.44Å; R47-A51 PolarHBondContact O-N 3.32Å; R47-D90 WeakPolarHBondContact CD-O 3.23Å; R47-D90 PolarHBondContact NH1-O 2.82Å; R47-P91 WeakPolarHBondContact CD-O 3.35Å; R47-L93 HydrophobicContact CG-CG 4.33Å; R47-E96 IonicContact CZ-OE1 2.82Å; R47-E96 IonicContact CZ-OE2 2.66Å; R47-E96 IonicContact NE-OE1 3.59Å; R47-E96 PolarHBondContact NE-OE1 3.48Å; R47-E96 IonicContact NE-OE2 3.72Å; R47-E96 PolarHBondContact NE-OE2 3.36Å; R47-E96 IonicContact NH2-OE1 2.76Å; R47-E96 PolarHBondContact NH2-OE1 2.67Å; R47-E96 IonicContact NH2-OE2 3.77Å
48	L	95.3	Very high	94	Very high	51 Å²	51	49 Å²	49	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-68	-41.3	-179.6	-70.6	179.4	0	0	0	112.4	R44 L46 L50 A51 L52 D90	R44-L48 HydrophobicContact CG-CD1 3.97Å; R44-L48 HydrophobicContact CG-CG 4.39Å; R44-L48 WeakPolarHBondContact O-CB 3.27Å; R44-L48 WeakPolarHBondContact O-CG 3.41Å; R44-L48 PolarHBondContact O-N 2.91Å; L46-L48 PolarHBondContact O-N 3.33Å; L48-L50 PolarHBondContact O-N 3.05Å; L48-A51 PolarHBondContact O-N 2.89Å; L48-L52 VanDerWaalsContact O-CB 3.25Å; L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 VanDerWaalsContact O-CG 3.23Å; L48-L52 WeakPolarHBondContact O-CG 3.25Å; L48-L52 PolarHBondContact O-N 2.88Å; L48-D90 HydrophobicContact CD2-CB 4.31Å
49	A	96	Very high	93.6	Very high	30 Å²	30	49 Å²	49	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-47.4	177.8	0	0	0	0	0	111.2	P5 F45 L46 S53	P5-A49 HydrophobicContact CB-CB 4.08Å; P5-A49 HydrophobicContact CG-CB 3.76Å; F45-A49 WeakPolarHBondContact O-CB 3.27Å; F45-A49 PolarHBondContact O-N 3.16Å; L46-A49 PolarHBondContact O-N 3.35Å; A49-S53 VanDerWaalsContact O-CB 3.23Å; A49-S53 WeakPolarHBondContact O-CB 3.25Å; A49-S53 PolarHBondContact O-N 2.68Å; A49-S53 VanDerWaalsContact O-N 3.15Å; A49-S53 PolarHBondContact O-OG 2.8Å
50	L	95.4	Very high	93.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-68.9	-43.2	178.1	-65.4	172.8	0	0	0	111.7	L46 L48 S53 R54 A55 L57 Y61 L93	L46-L50 WeakPolarHBondContact O-CB 3.48Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.4Å; L46-L50 PolarHBondContact O-N 2.92Å; L48-L50 PolarHBondContact O-N 3.05Å; L50-S53 PolarHBondContact O-OG 2.79Å; L50-R54 PolarHBondContact O-N 3.39Å; L50-A55 HydrophobicContact CB-CB 4.34Å; L50-A55 HydrophobicContact CD2-CB 3.59Å; L50-A55 PolarHBondContact O-N 2.87Å; L50-L57 HydrophobicContact CD1-CD1 3.88Å; L50-L57 HydrophobicContact CD2-CD1 4.44Å; L50-Y61 HydrophobicContact CD1-CE1 3.87Å; L50-L93 HydrophobicContact CB-CD1 3.59Å; L50-L93 HydrophobicContact CD1-CD1 4.18Å
51	A	95	Very high	93.4	Very high	38 Å²	38	44.2 Å²	44.2	31%	0.314	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-50.9	179.7	0	0	0	0	0	112.5	R47 L48 R54 L93	R47-A51 WeakPolarHBondContact O-CB 3.44Å; R47-A51 PolarHBondContact O-N 3.32Å; L48-A51 PolarHBondContact O-N 2.89Å; A51-R54 PolarHBondContact O-N 3.3Å; A51-R54 VanDerWaalsContact O-N 3.15Å; A51-L93 HydrophobicContact CB-CD2 4Å
52	L	95.3	Very high	93.5	Very high	145 Å²	145	43.8 Å²	43.8	76%	0.759	23%	0.23	S	C	*	.	H	α-helix	trans	-72.1	-31.6	-175.7	-65.5	174.9	0	0	0	112.1	L48 R54	L48-L52 VanDerWaalsContact O-CB 3.25Å; L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 VanDerWaalsContact O-CG 3.23Å; L48-L52 WeakPolarHBondContact O-CG 3.25Å; L48-L52 PolarHBondContact O-N 2.88Å; L52-R54 VanDerWaalsContact C-N 3.27Å
53	S	94.6	Very high	93.5	Very high	76 Å²	76	43.4 Å²	43.4	53%	0.531	23%	0.228	S	C	.	.	H	α-helix	trans	-81	-6.5	172.5	64.1	0	0	0	0	113.6	A49 L50 A55	A49-S53 VanDerWaalsContact O-CB 3.23Å; A49-S53 WeakPolarHBondContact O-CB 3.25Å; A49-S53 PolarHBondContact O-N 2.68Å; A49-S53 VanDerWaalsContact O-N 3.15Å; A49-S53 PolarHBondContact O-OG 2.8Å; L50-S53 PolarHBondContact O-OG 2.79Å; S53-A55 PolarHBondContact O-N 2.93Å
54	R	92.6	Very high	93.6	Very high	219 Å²	219	42.2 Å²	42.2	83%	0.826	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	31.3	-174.4	-56.5	-72.7	-68.6	-171	-2.9	112.2	L50 A51 L52 N56	L50-R54 PolarHBondContact O-N 3.39Å; A51-R54 PolarHBondContact O-N 3.3Å; A51-R54 VanDerWaalsContact O-N 3.15Å; L52-R54 VanDerWaalsContact C-N 3.27Å; R54-N56 PolarHBondContact O-N 3.32Å
55	A	90.9	Very high	93.7	Very high	25 Å²	25	40.5 Å²	40.5	21%	0.207	22%	0.217	C	C	.	.			trans	-68.4	126.4	174.9	0	0	0	0	0	109.4	L50 S53	L50-A55 HydrophobicContact CB-CB 4.34Å; L50-A55 HydrophobicContact CD2-CB 3.59Å; L50-A55 PolarHBondContact O-N 2.87Å; S53-A55 PolarHBondContact O-N 2.93Å
56	N	83.6	Confident	93.8	Very high	113 Å²	113	37.5 Å²	37.5	60%	0.604	21%	0.205	S	C	*	.			trans	-111.1	113.2	-177.4	-165	24.5	0	0	0	108.4	R54 F94	R54-N56 PolarHBondContact O-N 3.32Å; N56-F94 WeakPolarHBondContact OD1-CE1 3.25Å; N56-F94 WeakPolarHBondContact OD1-CZ 3.27Å
57	L	89.5	Confident	93.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.21	C	C	.	.			trans	-98.1	130.2	178.2	-56.1	178.3	0	0	0	109.3	L8 D12 L50 Y59 Y61 F94 C95	L8-L57 HydrophobicContact CB-CD1 4.33Å; D12-L57 HydrophobicContact CB-CD2 3.99Å; L50-L57 HydrophobicContact CD1-CD1 3.88Å; L50-L57 HydrophobicContact CD2-CD1 4.44Å; L57-Y59 HydrophobicContact CD1-CE2 4.13Å; L57-Y59 HydrophobicContact CD2-CE1 4.48Å; L57-Y61 HydrophobicContact CD1-CD1 3.96Å; L57-Y61 HydrophobicContact CD1-CE1 4.17Å; L57-F94 WeakPolarHBondContact O-CZ 3.48Å; L57-C95 HydrophobicContact CB-CB 4.42Å
58	S	86.9	Confident	93.7	Very high	53 Å²	53	39.3 Å²	39.3	37%	0.371	22%	0.215	S	C	.	.	S	Bend	trans	-73.3	-30.3	179	66.7	0	0	0	0	113.1	D12 S25	D12-S58 WeakPolarHBondContact OD1-CA 3.23Å; D12-S58 VanDerWaalsContact OD1-CB 3.3Å; D12-S58 WeakPolarHBondContact OD1-CB 3.3Å; D12-S58 PolarHBondContact OD1-N 3.36Å; D12-S58 PolarHBondContact OD1-OG 2.91Å; D12-S58 PolarHBondContact OD2-N 3.24Å; S25-S58 VanDerWaalsContact CB-O 3.27Å; S25-S58 WeakPolarHBondContact CB-O 3.44Å; S25-S58 PolarHBondContact N-O 3.44Å; S25-S58 PolarHBondContact OG-O 3.32Å
59	Y	89.1	Confident	93.6	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-92.2	173.1	175.9	63	-98.1	0	0	0	112.7	L8 I11 D12 L22 I34 L57 C95	L8-Y59 VanDerWaalsContact C-OH 3.28Å; L8-Y59 WeakPolarHBondContact CA-OH 3.42Å; L8-Y59 WeakPolarHBondContact CB-OH 3.45Å; L8-Y59 PolarHBondContact O-OH 3.37Å; I11-Y59 HydrophobicContact CB-CE1 4.39Å; I11-Y59 HydrophobicContact CG2-CE1 3.96Å; D12-Y59 HydrophobicContact CB-CD1 4.24Å; D12-Y59 HydrophobicContact CB-CE1 3.66Å; D12-Y59 VanDerWaalsContact OD1-CD1 3.23Å; D12-Y59 WeakPolarHBondContact OD1-CD1 3.44Å; D12-Y59 WeakPolarHBondContact OD1-CE1 3.48Å; L22-Y59 HydrophobicContact CB-CG 4.35Å; L22-Y59 HydrophobicContact CD1-CD1 3.43Å; L22-Y59 VanDerWaalsContact CD1-CD1 3.43Å; L22-Y59 HydrophobicContact CD1-CD2 4.47Å; L22-Y59 HydrophobicContact CD1-CE1 3.87Å; L22-Y59 HydrophobicContact CD1-CG 3.76Å; I34-Y59 HydrophobicContact CB-CD2 4.46Å; I34-Y59 HydrophobicContact CB-CE2 4.25Å; I34-Y59 HydrophobicContact CD1-CD2 3.8Å; I34-Y59 HydrophobicContact CD1-CE1 4.25Å; I34-Y59 HydrophobicContact CD1-CE2 3.33Å; I34-Y59 HydrophobicContact CD1-CG 4.46Å; I34-Y59 HydrophobicContact CG1-CD2 3.88Å; I34-Y59 HydrophobicContact CG1-CE2 3.82Å; L57-Y59 HydrophobicContact CD1-CE2 4.13Å; L57-Y59 HydrophobicContact CD2-CE1 4.48Å; Y59-C95 WeakPolarHBondContact O-CB 3.49Å
60	T	91.8	Very high	93.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.			trans	-103.2	145.4	177.8	61.5	0	0	0	0	112.7	S31 A32 S33 I34 C95	S31-T60 PolarHBondContact O-OG1 3.26Å; A32-T60 WeakPolarHBondContact CA-OG1 3.41Å; S33-T60 PolarHBondContact N-O 2.89Å; S33-T60 VanDerWaalsContact N-O 3.08Å; S33-T60 PolarHBondContact N-OG1 2.94Å; S33-T60 PolarHBondContact OG-OG1 3.16Å; I34-T60 PolarHBondContact N-O 3.47Å; T60-C95 CarbonylContact C-O 3.51Å; T60-C95 WeakPolarHBondContact CA-O 3.29Å
61	Y	93.8	Very high	93.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.5	175.8	76.5	-87.1	0	0	0	112.7	I34 I36 L50 L57 V63 C95 E96 R97	I34-Y61 CarbonylContact O-C 3.58Å; I34-Y61 WeakPolarHBondContact O-CA 3.36Å; I36-Y61 HydrophobicContact CD1-CD2 4.01Å; I36-Y61 HydrophobicContact CD1-CG 4.45Å; L50-Y61 HydrophobicContact CD1-CE1 3.87Å; L57-Y61 HydrophobicContact CD1-CD1 3.96Å; L57-Y61 HydrophobicContact CD1-CE1 4.17Å; Y61-V63 HydrophobicContact CD2-CG2 3.82Å; Y61-V63 HydrophobicContact CE2-CG2 3.7Å; Y61-C95 PolarHBondContact N-O 3.39Å; Y61-E96 HydrophobicContact CE1-CB 4.13Å; Y61-E96 HydrophobicContact CE2-CB 4.4Å; Y61-E96 HydrophobicContact CE2-CG 3.89Å; Y61-E96 CarbonylContact O-C 3.58Å; Y61-E96 PolarHBondContact OH-OE2 3.24Å; Y61-R97 PolarHBondContact O-N 3.12Å
62	A	95.5	Very high	93.1	Very high	2 Å²	2	51.7 Å²	51.7	2%	0.017	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.6	169.9	0	0	0	0	0	110.1	A32 I34 I36 R97	A32-A62 HydrophobicContact CB-CB 3.54Å; A32-A62 VanDerWaalsContact CB-N 3.34Å; I34-A62 PolarHBondContact O-N 2.97Å; I36-A62 PolarHBondContact N-O 3.02Å; A62-R97 HydrophobicContact CB-CB 4.27Å
63	V	97.6	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.7	177.6	-172.8	0	0	0	0	110.5	I36 L42 R43 L46 Y61 E65 G99	I36-V63 HydrophobicContact CB-CG2 4.39Å; I36-V63 HydrophobicContact CD1-CG2 4.41Å; I36-V63 CarbonylContact O-C 3.57Å; I36-V63 WeakPolarHBondContact O-CA 3.2Å; L42-V63 HydrophobicContact CB-CG1 4.11Å; L42-V63 HydrophobicContact CD2-CG1 4.01Å; L42-V63 HydrophobicContact CG-CG1 3.84Å; R43-V63 HydrophobicContact CB-CB 3.9Å; R43-V63 HydrophobicContact CB-CG1 3.85Å; R43-V63 HydrophobicContact CB-CG2 4.5Å; R43-V63 HydrophobicContact CG-CB 4.1Å; R43-V63 PolarHBondContact NE-O 3.34Å; R43-V63 PolarHBondContact NH2-O 3.24Å; L46-V63 HydrophobicContact CD1-CG2 3.83Å; Y61-V63 HydrophobicContact CD2-CG2 3.82Å; Y61-V63 HydrophobicContact CE2-CG2 3.7Å; V63-E65 HydrophobicContact CG1-CG 4.18Å; V63-G99 WeakPolarHBondContact O-CA 3.31Å
64	H	98	Very high	92.9	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.5	174.9	-47.3	-79.5	0	0	0	109.7	N35 I36 Y37 G38 R100 I102	N35-H64 PolarHBondContact OD1-NE2 3.39Å; I36-H64 PolarHBondContact O-N 3.2Å; Y37-H64 WeakPolarHBondContact CA-O 3.17Å; Y37-H64 HydrophobicContact CD1-CB 3.58Å; Y37-H64 HydrophobicContact CE1-CB 3.64Å; Y37-H64 AromaticContact CE1-CD2 3.55Å; Y37-H64 AromaticContact CE1-CG 3.66Å; Y37-H64 AromaticContact CE2-CD2 3.85Å; Y37-H64 HydrophobicContact CG-CB 4.32Å; Y37-H64 AromaticContact CZ-CD2 3.43Å; Y37-H64 VanDerWaalsContact CZ-CD2 3.43Å; G38-H64 PolarHBondContact N-O 2.78Å; H64-R100 CarbonylContact C-O 3.6Å; H64-R100 WeakPolarHBondContact CA-O 3.34Å; H64-R100 PolarHBondContact ND1-N 2.69Å; H64-R100 VanDerWaalsContact ND1-N 3.13Å; H64-I102 HydrophobicContact CB-CD1 4.02Å
65	E	98.2	Very high	92.8	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.6	-175	-69.2	-174.1	148.2	0	0	110.5	G38 G41 L42 R43 V63 I67 R100 I102	G38-E65 CarbonylContact O-C 3.53Å; G38-E65 VanDerWaalsContact O-CA 3.26Å; G38-E65 WeakPolarHBondContact O-CA 3.29Å; G41-E65 WeakPolarHBondContact CA-OE1 3.3Å; G41-E65 PolarHBondContact N-OE1 3.35Å; L42-E65 PolarHBondContact N-OE1 3.39Å; R43-E65 HydrophobicContact CB-CG 4.27Å; R43-E65 WeakPolarHBondContact CB-OE1 3.38Å; R43-E65 IonicContact CZ-OE2 3.49Å; R43-E65 VanDerWaalsContact CZ-OE2 3.27Å; R43-E65 PolarHBondContact N-OE1 2.92Å; R43-E65 IonicContact NH1-OE2 3.55Å; R43-E65 PolarHBondContact NH1-OE2 2.79Å; R43-E65 IonicContact NH2-OE2 3.81Å; V63-E65 HydrophobicContact CG1-CG 4.18Å; E65-I67 HydrophobicContact CB-CD1 4.25Å; E65-R100 PolarHBondContact N-O 2.98Å; E65-I102 PolarHBondContact O-N 2.9Å
66	L	98.2	Very high	92.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	120.1	166.7	-55.3	-173.1	0	0	0	108.1	G38 K40 L68 I102 W110 I113 A125 V135 W137	G38-L66 PolarHBondContact O-N 3.09Å; K40-L66 PolarHBondContact N-O 2.85Å; L66-L68 WeakPolarHBondContact O-CD1 3.4Å; L66-L68 PolarHBondContact O-N 3.26Å; L66-I102 WeakPolarHBondContact CA-O 3.47Å; L66-I102 HydrophobicContact CD2-CB 3.98Å; L66-I102 HydrophobicContact CD2-CD1 4.18Å; L66-I102 HydrophobicContact CD2-CG2 4.41Å; L66-W110 HydrophobicContact CB-CD2 4.39Å; L66-W110 HydrophobicContact CB-CZ2 4.1Å; L66-W110 HydrophobicContact CD1-CD2 4.21Å; L66-W110 HydrophobicContact CD1-CE3 4.45Å; L66-W110 HydrophobicContact CD1-CG 4.43Å; L66-W110 HydrophobicContact CD2-CB 4.36Å; L66-W110 HydrophobicContact CD2-CD2 4.44Å; L66-W110 HydrophobicContact CD2-CG 3.95Å; L66-I113 HydrophobicContact CD2-CG2 4.05Å; L66-A125 HydrophobicContact CD1-CB 3.61Å; L66-V135 HydrophobicContact CD1-CG1 3.72Å; L66-V135 HydrophobicContact CD1-CG2 4.19Å; L66-W137 HydrophobicContact CD1-CH2 3.65Å; L66-W137 HydrophobicContact CD1-CZ3 3.76Å; L66-W137 HydrophobicContact CG-CH2 4.3Å
67	I	96.8	Very high	93	Very high	23 Å²	23	45 Å²	45	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	107.4	-178.3	-52.3	-53.7	0	0	0	109	K40 E65 D101 I102 F103 W110	K40-I67 HydrophobicContact CB-CD1 4.25Å; K40-I67 HydrophobicContact CD-CD1 4.27Å; K40-I67 HydrophobicContact CG-CD1 4.29Å; E65-I67 HydrophobicContact CB-CD1 4.25Å; I67-D101 HydrophobicContact CD1-CB 3.92Å; I67-D101 HydrophobicContact CG1-CB 3.9Å; I67-I102 PolarHBondContact N-O 2.82Å; I67-F103 HydrophobicContact CB-CD1 3.84Å; I67-F103 HydrophobicContact CB-CE1 3.9Å; I67-F103 HydrophobicContact CB-CG 4.38Å; I67-F103 HydrophobicContact CB-CZ 4.46Å; I67-F103 HydrophobicContact CG1-CD1 4.2Å; I67-F103 HydrophobicContact CG1-CE1 3.96Å; I67-F103 HydrophobicContact CG1-CE2 4.3Å; I67-F103 HydrophobicContact CG1-CG 4.49Å; I67-F103 HydrophobicContact CG1-CZ 4Å; I67-F103 HydrophobicContact CG2-CD1 3.94Å; I67-F103 HydrophobicContact CG2-CE1 3.68Å; I67-F103 HydrophobicContact CG2-CZ 4.45Å; I67-W110 WeakPolarHBondContact O-CZ2 3.5Å
68	L	93.6	Very high	93.1	Very high	33 Å²	33	51.5 Å²	51.5	17%	0.173	26%	0.263	C	S	.	.			trans	-79.8	138.2	177	-64.7	100.9	0	0	0	110.6	P39 L66 H72 W110 P133	P39-L68 HydrophobicContact CB-CD1 3.7Å; L66-L68 WeakPolarHBondContact O-CD1 3.4Å; L66-L68 PolarHBondContact O-N 3.26Å; L68-H72 HydrophobicContact CB-CB 4.06Å; L68-H72 HydrophobicContact CD2-CB 3.77Å; L68-H72 HydrophobicContact CG-CB 4.37Å; L68-W110 HydrophobicContact CG-CH2 4.23Å; L68-W110 HydrophobicContact CG-CZ2 4.4Å; L68-P133 HydrophobicContact CD2-CB 3.84Å
69	E	92.6	Very high	93.2	Very high	80 Å²	80	53 Å²	53	37%	0.374	27%	0.267	S	S	.	.			trans	-89.4	165.2	170.6	-67.1	172.1	-151.3	0	0	110	K71 H72	E69-K71 HydrophobicContact CB-CG 4.21Å; E69-K71 PolarHBondContact O-N 3.46Å; E69-K71 VanDerWaalsContact O-N 3.1Å; E69-K71 IonicContact OE1-NZ 3.51Å; E69-K71 WeakPolarHBondContact OE2-CD 3.41Å; E69-K71 WeakPolarHBondContact OE2-CE 3.49Å; E69-K71 IonicContact OE2-NZ 3.39Å; E69-K71 PolarHBondContact OE2-NZ 2.85Å; E69-H72 PolarHBondContact N-ND1 3.23Å; E69-H72 WeakPolarHBondContact O-CB 2.96Å; E69-H72 PolarHBondContact O-N 2.62Å
70	E	90.7	Very high	93.3	Very high	182 Å²	182	64.3 Å²	64.3	85%	0.85	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-52.1	-36.6	177.6	-171.2	177.4	-178.9	0	0	112.8	H72 C73	E70-H72 PolarHBondContact O-N 3.13Å; E70-C73 WeakPolarHBondContact O-CB 3.27Å; E70-C73 PolarHBondContact O-N 2.84Å; E70-C73 VanDerWaalsContact O-N 3.08Å
71	K	91.5	Very high	93.3	Very high	103 Å²	103	67.2 Å²	67.2	45%	0.448	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-65.6	-21.4	177.7	77.6	-167.3	-174.9	-152.6	0	114.4	E69	E69-K71 HydrophobicContact CB-CG 4.21Å; E69-K71 PolarHBondContact O-N 3.46Å; E69-K71 VanDerWaalsContact O-N 3.1Å; E69-K71 IonicContact OE1-NZ 3.51Å; E69-K71 WeakPolarHBondContact OE2-CD 3.41Å; E69-K71 WeakPolarHBondContact OE2-CE 3.49Å; E69-K71 IonicContact OE2-NZ 3.39Å; E69-K71 PolarHBondContact OE2-NZ 2.85Å
72	H	93.3	Very high	93.2	Very high	15 Å²	15	71.1 Å²	71.1	7%	0.069	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-86.5	-16.6	176.9	-57.4	149.8	0	0	0	111.9	L68 E69 E70 W110 S127	L68-H72 HydrophobicContact CB-CB 4.06Å; L68-H72 HydrophobicContact CD2-CB 3.77Å; L68-H72 HydrophobicContact CG-CB 4.37Å; E69-H72 PolarHBondContact N-ND1 3.23Å; E69-H72 WeakPolarHBondContact O-CB 2.96Å; E69-H72 PolarHBondContact O-N 2.62Å; E70-H72 PolarHBondContact O-N 3.13Å; H72-W110 AromaticContact CE1-CH2 3.83Å; H72-W110 AromaticContact ND1-CH2 3.64Å; H72-S127 WeakPolarHBondContact CB-OG 3.41Å; H72-S127 PolarHBondContact O-OG 2.86Å
73	C	93.7	Very high	93.1	Very high	27 Å²	27	73.6 Å²	73.6	18%	0.182	37%	0.373	C	S	.	.	S	Bend	trans	-83.2	149.8	179.6	-62	0	0	0	0	111.3	E70 W77 P133	E70-C73 WeakPolarHBondContact O-CB 3.27Å; E70-C73 PolarHBondContact O-N 2.84Å; E70-C73 VanDerWaalsContact O-N 3.08Å; C73-W77 HydrophobicContact CB-CB 3.69Å; C73-W77 HydrophobicContact CB-CG 3.82Å; C73-P133 HydrophobicContact CB-CG 4.49Å
74	P	93	Very high	92.8	Very high	28 Å²	28	79 Å²	79	18%	0.182	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-65.4	160.2	172.3	26.3	-31.8	0	0	0	111.4	N76 W77 T131	P74-N76 PolarHBondContact O-N 2.97Å; P74-W77 HydrophobicContact CG-CB 4.13Å; P74-W77 HydrophobicContact CG-CE3 4.07Å; P74-W77 VanDerWaalsContact O-CB 3.24Å; P74-W77 WeakPolarHBondContact O-CB 3.44Å; P74-W77 PolarHBondContact O-N 3.19Å; P74-W77 VanDerWaalsContact O-N 3.1Å; P74-T131 WeakPolarHBondContact CG-O 3.45Å
75	P	90	Very high	92.4	Very high	115 Å²	115	79.8 Å²	79.8	75%	0.747	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	138.9	176.8	-24	33.8	0	0	0	111.8	W77	P75-W77 PolarHBondContact O-N 3.11Å
76	N	87.7	Confident	92	Very high	169 Å²	169	83.1 Å²	83.1	90%	0.904	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	21.8	-177.5	-46.8	-52.7	0	0	0	114.4	P74 Q78	P74-N76 PolarHBondContact O-N 2.97Å; N76-Q78 PolarHBondContact O-N 3.09Å
77	W	91.7	Very high	91.6	Very high	98 Å²	98	88.7 Å²	88.7	37%	0.371	45%	0.453	S	S	.	.			trans	-58.3	133	171.5	178	-104	0	0	0	110.7	C73 P74 P75 D79 I132 P133	C73-W77 HydrophobicContact CB-CB 3.69Å; C73-W77 HydrophobicContact CB-CG 3.82Å; P74-W77 HydrophobicContact CG-CB 4.13Å; P74-W77 HydrophobicContact CG-CE3 4.07Å; P74-W77 VanDerWaalsContact O-CB 3.24Å; P74-W77 WeakPolarHBondContact O-CB 3.44Å; P74-W77 PolarHBondContact O-N 3.19Å; P74-W77 VanDerWaalsContact O-N 3.1Å; P75-W77 PolarHBondContact O-N 3.11Å; W77-D79 PolarHBondContact NE1-OD1 3.24Å; W77-I132 HydrophobicContact CH2-CB 4.17Å; W77-I132 HydrophobicContact CH2-CG2 4.19Å; W77-I132 HydrophobicContact CZ3-CB 3.9Å; W77-I132 HydrophobicContact CZ3-CG2 3.71Å; W77-P133 HydrophobicContact CD2-CG 3.91Å; W77-P133 HydrophobicContact CE3-CG 4.37Å; W77-P133 HydrophobicContact CG-CG 4.38Å; W77-P133 HydrophobicContact CH2-CG 4.34Å; W77-P133 HydrophobicContact CZ2-CG 3.88Å
78	Q	91.3	Very high	91.3	Very high	138 Å²	138	93.5 Å²	93.5	65%	0.645	48%	0.483	S	S	*	.			trans	-136.3	131.2	175.4	-175.3	-178.7	12.3	0	0	109.2	N76 W80	N76-Q78 PolarHBondContact O-N 3.09Å; Q78-W80 PolarHBondContact O-N 3.39Å
79	D	90.2	Very high	91.2	Very high	86 Å²	86	100.9 Å²	100.9	46%	0.46	51%	0.509	S	S	.	.			trans	-69.5	119.5	170.5	-67.5	-21	0	0	0	109.6	W77 A81	W77-D79 PolarHBondContact NE1-OD1 3.24Å; D79-A81 VanDerWaalsContact C-N 3.31Å
80	W	91	Very high	91.2	Very high	237 Å²	237	97.6 Å²	97.6	90%	0.898	49%	0.494	S	S	*	.	S	Bend	trans	-82.7	-12.5	177.9	-61.5	-9	0	0	0	113.1	Q78	Q78-W80 PolarHBondContact O-N 3.39Å
81	A	90.6	Very high	91.4	Very high	61 Å²	61	92.5 Å²	92.5	50%	0.504	48%	0.476	S	S	.	.	S	Bend	trans	-150.2	156.5	178	0	0	0	0	0	109.9	D79 L83	D79-A81 VanDerWaalsContact C-N 3.31Å; A81-L83 PolarHBondContact O-N 3Å
82	C	92.2	Very high	91.5	Very high	83 Å²	83	90.8 Å²	90.8	56%	0.561	48%	0.476	S	S	*	.			trans	-60.2	123	169.9	-176.5	0	0	0	0	109.6	R44	R44-C82 PolarHBondContact NH1-O 2.76Å
83	L	93	Very high	91.5	Very high	53 Å²	53	91.7 Å²	91.7	28%	0.277	48%	0.481	S	S	.	.			trans	-81.5	-21.1	179.6	-58.6	-178.8	0	0	0	112.1	K40 G41 R44 A81	K40-L83 HydrophobicContact CD-CB 4.37Å; K40-L83 HydrophobicContact CD-CD1 4.49Å; K40-L83 HydrophobicContact CG-CB 4.07Å; K40-L83 HydrophobicContact CG-CD1 4.39Å; G41-L83 WeakPolarHBondContact CA-O 3.19Å; R44-L83 WeakPolarHBondContact CB-O 3.43Å; A81-L83 PolarHBondContact O-N 3Å
84	E	92.3	Very high	91.3	Very high	115 Å²	115	96 Å²	96	54%	0.537	50%	0.497	S	S	.	.	S	Bend	trans	-79	133.1	-178.1	-65.1	177	-170.9	0	0	111.2	K40 R44 D86	K40-E84 VanDerWaalsContact CE-CG 3.44Å; K40-E84 WeakPolarHBondContact CE-OE1 3.33Å; K40-E84 IonicContact NZ-OE1 3.41Å; K40-E84 PolarHBondContact NZ-OE1 3.02Å; R44-E84 WeakPolarHBondContact CD-O 3.38Å; R44-E84 PolarHBondContact NE-O 3.48Å; E84-D86 PolarHBondContact O-N 3.39Å
85	A	88.6	Confident	91.2	Very high	27 Å²	27	94.7 Å²	94.7	22%	0.223	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-76.7	117.4	174.6	0	0	0	0	0	109.5	R44 D90	R44-A85 HydrophobicContact CB-CB 3.92Å; R44-A85 HydrophobicContact CG-CB 3.94Å; A85-D90 HydrophobicContact CB-CB 4.34Å
86	D	90.8	Very high	91.3	Very high	72 Å²	72	90 Å²	90	39%	0.385	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-74.6	127.8	178.6	177.8	-83.6	0	0	0	109.9	E84 T88 R89 D90	E84-D86 PolarHBondContact O-N 3.39Å; D86-T88 PolarHBondContact O-N 2.66Å; D86-T88 WeakPolarHBondContact OD1-CA 3.47Å; D86-T88 WeakPolarHBondContact OD1-CB 3.27Å; D86-T88 PolarHBondContact OD1-N 2.96Å; D86-R89 HydrophobicContact CB-CB 4.11Å; D86-R89 HydrophobicContact CB-CG 4.49Å; D86-R89 PolarHBondContact O-N 2.66Å; D86-R89 PolarHBondContact OD1-N 3.04Å; D86-D90 PolarHBondContact N-OD2 3.37Å; D86-D90 CarbonylContact O-C 3.4Å; D86-D90 VanDerWaalsContact O-C 3.22Å; D86-D90 VanDerWaalsContact O-CA 3.23Å; D86-D90 WeakPolarHBondContact O-CA 3.41Å; D86-D90 WeakPolarHBondContact O-CB 3.32Å; D86-D90 PolarHBondContact O-N 2.88Å
87	I	89	Confident	91.6	Very high	118 Å²	118	83.4 Å²	83.4	61%	0.605	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.2	-174.2	-171.2	55.2	0	0	0	113.5	P92	I87-P92 VanDerWaalsContact CD1-CD 3.5Å; I87-P92 HydrophobicContact CD1-CG 4.14Å
88	T	91.6	Very high	91.6	Very high	123 Å²	123	84.6 Å²	84.6	76%	0.755	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-42.5	-178	-60.7	0	0	0	0	111.4	D86	D86-T88 PolarHBondContact O-N 2.66Å; D86-T88 WeakPolarHBondContact OD1-CA 3.47Å; D86-T88 WeakPolarHBondContact OD1-CB 3.27Å; D86-T88 PolarHBondContact OD1-N 2.96Å
89	R	91.4	Very high	91.8	Very high	189 Å²	189	79.3 Å²	79.3	71%	0.713	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-36.1	-179.1	-65.4	-176.2	55.2	-165.9	-6.7	113.2	D86 P91	D86-R89 HydrophobicContact CB-CB 4.11Å; D86-R89 HydrophobicContact CB-CG 4.49Å; D86-R89 PolarHBondContact O-N 2.66Å; D86-R89 PolarHBondContact OD1-N 3.04Å; R89-P91 WeakPolarHBondContact O-CD 3.39Å
90	D	91.9	Very high	92.1	Very high	11 Å²	11	79.5 Å²	79.5	6%	0.059	42%	0.419	C	S	.	.	S	Bend	trans	-124.6	59	-173.3	-45.6	-33.5	0	0	0	109	R44 R47 L48 A85 D86	R44-D90 IonicContact CZ-OD2 3.28Å; R44-D90 VanDerWaalsContact CZ-OD2 3.29Å; R44-D90 IonicContact NE-OD2 3.46Å; R44-D90 PolarHBondContact NE-OD2 3.19Å; R44-D90 IonicContact NH2-OD1 2.97Å; R44-D90 IonicContact NH2-OD2 2.98Å; R44-D90 PolarHBondContact NH2-OD2 2.76Å; R47-D90 WeakPolarHBondContact CD-O 3.23Å; R47-D90 PolarHBondContact NH1-O 2.82Å; L48-D90 HydrophobicContact CD2-CB 4.31Å; A85-D90 HydrophobicContact CB-CB 4.34Å; D86-D90 PolarHBondContact N-OD2 3.37Å; D86-D90 CarbonylContact O-C 3.4Å; D86-D90 VanDerWaalsContact O-C 3.22Å; D86-D90 VanDerWaalsContact O-CA 3.23Å; D86-D90 WeakPolarHBondContact O-CA 3.41Å; D86-D90 WeakPolarHBondContact O-CB 3.32Å; D86-D90 PolarHBondContact O-N 2.88Å
91	P	94.3	Very high	92.4	Very high	74 Å²	74	72.1 Å²	72.1	48%	0.481	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-63.5	147	-177	27.6	-35.7	0	0	0	111.8	R47 R89	R47-P91 WeakPolarHBondContact CD-O 3.35Å; R89-P91 WeakPolarHBondContact O-CD 3.39Å
92	P	93.7	Very high	92.7	Very high	67 Å²	67	70.4 Å²	70.4	44%	0.435	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-52.2	142.1	175.9	-25.6	32.1	0	0	0	113	I87 E96	I87-P92 VanDerWaalsContact CD1-CD 3.5Å; I87-P92 HydrophobicContact CD1-CG 4.14Å; P92-E96 WeakPolarHBondContact CA-OE2 3.26Å; P92-E96 HydrophobicContact CB-CB 4.4Å
93	L	92.9	Very high	93	Very high	35 Å²	35	72.8 Å²	72.8	18%	0.183	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-71.4	158.2	173.6	-60.7	179.6	0	0	0	111	R47 L50 A51 C95 E96	R47-L93 HydrophobicContact CG-CG 4.33Å; L50-L93 HydrophobicContact CB-CD1 3.59Å; L50-L93 HydrophobicContact CD1-CD1 4.18Å; A51-L93 HydrophobicContact CB-CD2 4Å; L93-C95 PolarHBondContact O-N 2.93Å; L93-E96 HydrophobicContact CB-CB 4.08Å; L93-E96 PolarHBondContact N-OE2 3.35Å; L93-E96 WeakPolarHBondContact O-CB 3.35Å; L93-E96 PolarHBondContact O-N 2.84Å
94	F	89.9	Confident	93.2	Very high	117 Å²	117	71 Å²	71	51%	0.513	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.2	179.2	78.2	-82.2	0	0	0	112.8	N56 L57 R97	N56-F94 WeakPolarHBondContact OD1-CE1 3.25Å; N56-F94 WeakPolarHBondContact OD1-CZ 3.27Å; L57-F94 WeakPolarHBondContact O-CZ 3.48Å; F94-R97 PolarHBondContact O-NH1 2.8Å
95	C	90.4	Very high	93.5	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.007	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.2	175.6	56.6	0	0	0	0	113.4	L57 Y59 T60 Y61 L93	L57-C95 HydrophobicContact CB-CB 4.42Å; Y59-C95 WeakPolarHBondContact O-CB 3.49Å; T60-C95 CarbonylContact C-O 3.51Å; T60-C95 WeakPolarHBondContact CA-O 3.29Å; Y61-C95 PolarHBondContact N-O 3.39Å; L93-C95 PolarHBondContact O-N 2.93Å
96	E	93.1	Very high	93.8	Very high	15 Å²	15	76.3 Å²	76.3	7%	0.07	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	136.4	179.7	-169.7	175.8	172.8	0	0	110.5	R47 Y61 P92 L93	R47-E96 IonicContact CZ-OE1 2.82Å; R47-E96 IonicContact CZ-OE2 2.66Å; R47-E96 IonicContact NE-OE1 3.59Å; R47-E96 PolarHBondContact NE-OE1 3.48Å; R47-E96 IonicContact NE-OE2 3.72Å; R47-E96 PolarHBondContact NE-OE2 3.36Å; R47-E96 IonicContact NH2-OE1 2.76Å; R47-E96 PolarHBondContact NH2-OE1 2.67Å; R47-E96 IonicContact NH2-OE2 3.77Å; Y61-E96 HydrophobicContact CE1-CB 4.13Å; Y61-E96 HydrophobicContact CE2-CB 4.4Å; Y61-E96 HydrophobicContact CE2-CG 3.89Å; Y61-E96 CarbonylContact O-C 3.58Å; Y61-E96 PolarHBondContact OH-OE2 3.24Å; P92-E96 WeakPolarHBondContact CA-OE2 3.26Å; P92-E96 HydrophobicContact CB-CB 4.4Å; L93-E96 HydrophobicContact CB-CB 4.08Å; L93-E96 PolarHBondContact N-OE2 3.35Å; L93-E96 WeakPolarHBondContact O-CB 3.35Å; L93-E96 PolarHBondContact O-N 2.84Å
97	R	92.9	Very high	94.1	Very high	32 Å²	32	75.4 Å²	75.4	12%	0.121	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	158.1	172	-62.3	-64.6	176.4	-89.5	4.4	109.8	N26 N29 A32 Y61 A62 F94 G99	N26-R97 PolarHBondContact O-NH2 3.26Å; N29-R97 PolarHBondContact O-NE 3.02Å; A32-R97 HydrophobicContact CB-CB 4.16Å; A32-R97 HydrophobicContact CB-CG 4.25Å; Y61-R97 PolarHBondContact O-N 3.12Å; A62-R97 HydrophobicContact CB-CB 4.27Å; F94-R97 PolarHBondContact O-NH1 2.8Å; R97-G99 PolarHBondContact O-N 2.76Å
98	S	92.9	Very high	94.4	Very high	123 Å²	123	70.1 Å²	70.1	86%	0.86	37%	0.371	S	S	*	.			trans	-63.2	122.2	-179.9	-66.7	0	0	0	0	110.3
99	G	94.5	Very high	94.7	Very high	27 Å²	27	64.2 Å²	64.2	28%	0.278	34%	0.335	S	S	.	.			trans	-88.2	-174.7	171.1	0	0	0	0	0	112.5	V63 R97	V63-G99 WeakPolarHBondContact O-CA 3.31Å; R97-G99 PolarHBondContact O-N 2.76Å
100	R	96.2	Very high	95.1	Very high	89 Å²	89	55.3 Å²	55.3	34%	0.336	30%	0.301	S	S	.	.			trans	-114.4	146	177.8	-67.7	178.7	-71.8	144.8	1.7	109.9	Y37 R43 H64 E65 I102 I113	Y37-R100 PolarHBondContact OH-NH2 2.85Å; R43-R100 PolarHBondContact NH2-O 2.71Å; H64-R100 CarbonylContact C-O 3.6Å; H64-R100 WeakPolarHBondContact CA-O 3.34Å; H64-R100 PolarHBondContact ND1-N 2.69Å; H64-R100 VanDerWaalsContact ND1-N 3.13Å; E65-R100 PolarHBondContact N-O 2.98Å; R100-I102 HydrophobicContact CB-CG1 4.06Å; R100-I113 PolarHBondContact NH1-O 2.86Å; R100-I113 PolarHBondContact NH2-O 2.79Å
101	D	97.7	Very high	95.3	Very high	82 Å²	82	57.3 Å²	57.3	44%	0.439	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.6	163.3	-69.5	-5.7	0	0	0	106.9	R43 I67 F103	R43-D101 IonicContact CZ-OD1 2.68Å; R43-D101 IonicContact NH1-OD1 2.8Å; R43-D101 PolarHBondContact NH1-OD1 2.86Å; R43-D101 VanDerWaalsContact NH1-OD1 3.11Å; R43-D101 IonicContact NH2-OD1 3.26Å; R43-D101 PolarHBondContact NH2-OD1 2.77Å; I67-D101 HydrophobicContact CD1-CB 3.92Å; I67-D101 HydrophobicContact CG1-CB 3.9Å; D101-F103 HydrophobicContact CB-CE2 4.15Å
102	I	98.4	Very high	95.5	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.128	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.5	-171.8	-44.7	-179.5	0	0	0	108	Y37 H64 E65 L66 I67 R100 W110 I113	Y37-I102 HydrophobicContact CD1-CD1 4.22Å; Y37-I102 HydrophobicContact CE1-CD1 4.16Å; H64-I102 HydrophobicContact CB-CD1 4.02Å; E65-I102 PolarHBondContact O-N 2.9Å; L66-I102 WeakPolarHBondContact CA-O 3.47Å; L66-I102 HydrophobicContact CD2-CB 3.98Å; L66-I102 HydrophobicContact CD2-CD1 4.18Å; L66-I102 HydrophobicContact CD2-CG2 4.41Å; I67-I102 PolarHBondContact N-O 2.82Å; R100-I102 HydrophobicContact CB-CG1 4.06Å; I102-W110 PolarHBondContact O-NE1 3.49Å; I102-I113 HydrophobicContact CD1-CB 3.97Å; I102-I113 HydrophobicContact CG2-CG2 4.5Å
103	F	98	Very high	95.7	Very high	134 Å²	134	52.3 Å²	52.3	59%	0.588	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	146.9	-179.8	-63	-95.4	0	0	0	110.4	I67 D101 W110	I67-F103 HydrophobicContact CB-CD1 3.84Å; I67-F103 HydrophobicContact CB-CE1 3.9Å; I67-F103 HydrophobicContact CB-CG 4.38Å; I67-F103 HydrophobicContact CB-CZ 4.46Å; I67-F103 HydrophobicContact CG1-CD1 4.2Å; I67-F103 HydrophobicContact CG1-CE1 3.96Å; I67-F103 HydrophobicContact CG1-CE2 4.3Å; I67-F103 HydrophobicContact CG1-CG 4.49Å; I67-F103 HydrophobicContact CG1-CZ 4Å; I67-F103 HydrophobicContact CG2-CD1 3.94Å; I67-F103 HydrophobicContact CG2-CE1 3.68Å; I67-F103 HydrophobicContact CG2-CZ 4.45Å; D101-F103 HydrophobicContact CB-CE2 4.15Å; F103-W110 VanDerWaalsContact C-CD1 3.43Å; F103-W110 VanDerWaalsContact C-NE1 3.34Å
104	A	97.8	Very high	95.8	Very high	14 Å²	14	52.1 Å²	52.1	12%	0.116	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69.4	153.8	173.1	0	0	0	0	0	110	W110	A104-W110 HydrophobicContact CB-CD2 4Å; A104-W110 HydrophobicContact CB-CE3 4.43Å; A104-W110 HydrophobicContact CB-CG 4.46Å; A104-W110 HydrophobicContact CB-CH2 4.3Å; A104-W110 HydrophobicContact CB-CZ2 3.86Å; A104-W110 VanDerWaalsContact N-NE1 3.14Å
105	N	97.3	Very high	96	Very high	84 Å²	84	52.4 Å²	52.4	45%	0.449	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-71.4	171.6	167.6	-78.1	-1	0	0	0	110.7	D107 G108 F109 Y111	N105-D107 VanDerWaalsContact CB-OD1 3.27Å; N105-D107 WeakPolarHBondContact CB-OD1 3.29Å; N105-D107 PolarHBondContact O-N 2.65Å; N105-D107 VanDerWaalsContact O-N 3.09Å; N105-G108 WeakPolarHBondContact O-CA 3.1Å; N105-G108 PolarHBondContact O-N 3.48Å; N105-F109 PolarHBondContact N-O 3.1Å; N105-Y111 HydrophobicContact CB-CD2 4.37Å; N105-Y111 HydrophobicContact CB-CE2 4.28Å; N105-Y111 WeakPolarHBondContact ND2-CD2 3.27Å
106	N	95.5	Very high	96.1	Very high	170 Å²	170	55.6 Å²	55.6	91%	0.909	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.1	179.4	-70.1	-21.3	0	0	0	113.3	G108	N106-G108 PolarHBondContact O-N 2.9Å
107	D	96	Very high	95.9	Very high	54 Å²	54	61.9 Å²	61.9	29%	0.289	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.6	175.2	59.4	10.9	0	0	0	113.3	N105 F109 Y111 R209	N105-D107 VanDerWaalsContact CB-OD1 3.27Å; N105-D107 WeakPolarHBondContact CB-OD1 3.29Å; N105-D107 PolarHBondContact O-N 2.65Å; N105-D107 VanDerWaalsContact O-N 3.09Å; D107-F109 HydrophobicContact CB-CD2 4.37Å; D107-F109 PolarHBondContact OD1-N 3.43Å; D107-Y111 PolarHBondContact OD2-OH 3.11Å; D107-R209 VanDerWaalsContact O-CZ 3.3Å; D107-R209 PolarHBondContact O-NH1 3.05Å; D107-R209 VanDerWaalsContact O-NH1 3.13Å; D107-R209 PolarHBondContact O-NH2 3.28Å
108	G	96.1	Very high	95.3	Very high	6 Å²	6	68 Å²	68	6%	0.062	36%	0.357	C	S	.	.	S	Bend	trans	88.7	3.4	176.9	0	0	0	0	0	115.2	N105 N106	N105-G108 WeakPolarHBondContact O-CA 3.1Å; N105-G108 PolarHBondContact O-N 3.48Å; N106-G108 PolarHBondContact O-N 2.9Å
109	F	98.3	Very high	94.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	151.7	179.1	-61.4	-54.3	0	0	0	112.8	N105 D107 Y111 M126 E206 R209 L210 V213	N105-F109 PolarHBondContact N-O 3.1Å; D107-F109 HydrophobicContact CB-CD2 4.37Å; D107-F109 PolarHBondContact OD1-N 3.43Å; F109-Y111 HydrophobicContact CB-CD2 4.14Å; F109-Y111 HydrophobicContact CB-CE2 3.56Å; F109-Y111 HydrophobicContact CD2-CE2 4.39Å; F109-Y111 AromaticContact CD2-CZ 3.98Å; F109-Y111 VanDerWaalsContact CD2-OH 3.25Å; F109-Y111 WeakPolarHBondContact CD2-OH 3.47Å; F109-Y111 HydrophobicContact CG-CE2 4.47Å; F109-M126 HydrophobicContact CD1-CB 3.64Å; F109-M126 HydrophobicContact CE1-CB 3.75Å; F109-E206 HydrophobicContact CE1-CB 4.3Å; F109-E206 WeakPolarHBondContact CE1-O 3.27Å; F109-E206 WeakPolarHBondContact CE1-OE2 3.38Å; F109-E206 WeakPolarHBondContact CZ-O 3.28Å; F109-R209 HydrophobicContact CE2-CG 4.29Å; F109-R209 VanDerWaalsContact CE2-NH1 3.29Å; F109-R209 HydrophobicContact CZ-CB 4.04Å; F109-R209 HydrophobicContact CZ-CG 4.06Å; F109-L210 HydrophobicContact CB-CD1 4.21Å; F109-L210 HydrophobicContact CD1-CB 4.18Å; F109-L210 HydrophobicContact CD1-CD1 4.15Å; F109-L210 HydrophobicContact CD1-CD2 4.42Å; F109-L210 HydrophobicContact CD1-CG 4.48Å; F109-L210 HydrophobicContact CD2-CD1 3.85Å; F109-L210 HydrophobicContact CE1-CB 3.7Å; F109-L210 HydrophobicContact CE1-CD1 4.46Å; F109-L210 HydrophobicContact CE1-CG 4.47Å; F109-L210 HydrophobicContact CE2-CB 4.05Å; F109-L210 HydrophobicContact CE2-CD1 4.12Å; F109-L210 HydrophobicContact CG-CD1 3.82Å; F109-L210 HydrophobicContact CZ-CB 3.59Å; F109-L210 HydrophobicContact CZ-CD1 4.42Å; F109-L210 VanDerWaalsContact CZ-N 3.34Å; F109-V213 HydrophobicContact CE2-CG2 4.31Å
110	W	98.5	Very high	94.8	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.008	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.8	168.3	-63	-96.7	0	0	0	109	L66 I67 L68 H72 I102 F103 A104 I113 H124 A125	L66-W110 HydrophobicContact CB-CD2 4.39Å; L66-W110 HydrophobicContact CB-CZ2 4.1Å; L66-W110 HydrophobicContact CD1-CD2 4.21Å; L66-W110 HydrophobicContact CD1-CE3 4.45Å; L66-W110 HydrophobicContact CD1-CG 4.43Å; L66-W110 HydrophobicContact CD2-CB 4.36Å; L66-W110 HydrophobicContact CD2-CD2 4.44Å; L66-W110 HydrophobicContact CD2-CG 3.95Å; I67-W110 WeakPolarHBondContact O-CZ2 3.5Å; L68-W110 HydrophobicContact CG-CH2 4.23Å; L68-W110 HydrophobicContact CG-CZ2 4.4Å; H72-W110 AromaticContact CE1-CH2 3.83Å; H72-W110 AromaticContact ND1-CH2 3.64Å; I102-W110 PolarHBondContact O-NE1 3.49Å; F103-W110 VanDerWaalsContact C-CD1 3.43Å; F103-W110 VanDerWaalsContact C-NE1 3.34Å; A104-W110 HydrophobicContact CB-CD2 4Å; A104-W110 HydrophobicContact CB-CE3 4.43Å; A104-W110 HydrophobicContact CB-CG 4.46Å; A104-W110 HydrophobicContact CB-CH2 4.3Å; A104-W110 HydrophobicContact CB-CZ2 3.86Å; A104-W110 VanDerWaalsContact N-NE1 3.14Å; W110-I113 HydrophobicContact CB-CG2 3.58Å; W110-H124 CarbonylContact O-C 3.48Å; W110-H124 VanDerWaalsContact O-CA 3.23Å; W110-H124 WeakPolarHBondContact O-CA 3.37Å; W110-A125 HydrophobicContact CB-CB 4.15Å; W110-A125 HydrophobicContact CE3-CB 4.29Å; W110-A125 PolarHBondContact N-O 3.31Å; W110-A125 PolarHBondContact O-N 3.42Å
111	Y	97.9	Very high	94.6	Very high	52 Å²	52	69.5 Å²	69.5	20%	0.204	36%	0.357	C	S	.	.			trans	-94.2	137.6	-178.3	-66.6	-89.3	0	0	0	112	N105 D107 F109 I113 H124 L210 V213 L214	N105-Y111 HydrophobicContact CB-CD2 4.37Å; N105-Y111 HydrophobicContact CB-CE2 4.28Å; N105-Y111 WeakPolarHBondContact ND2-CD2 3.27Å; D107-Y111 PolarHBondContact OD2-OH 3.11Å; F109-Y111 HydrophobicContact CB-CD2 4.14Å; F109-Y111 HydrophobicContact CB-CE2 3.56Å; F109-Y111 HydrophobicContact CD2-CE2 4.39Å; F109-Y111 AromaticContact CD2-CZ 3.98Å; F109-Y111 VanDerWaalsContact CD2-OH 3.25Å; F109-Y111 WeakPolarHBondContact CD2-OH 3.47Å; F109-Y111 HydrophobicContact CG-CE2 4.47Å; Y111-I113 VanDerWaalsContact C-N 3.31Å; Y111-I113 PolarHBondContact O-N 3.15Å; Y111-H124 WeakPolarHBondContact CA-ND1 3.36Å; Y111-H124 AromaticContact CD1-CE1 3.81Å; Y111-H124 AromaticContact CD1-ND1 3.35Å; Y111-H124 VanDerWaalsContact CD1-ND1 3.35Å; Y111-H124 WeakPolarHBondContact CD1-ND1 3.47Å; Y111-H124 AromaticContact CG-ND1 3.93Å; Y111-L210 HydrophobicContact CD1-CD1 4.47Å; Y111-L210 HydrophobicContact CE1-CD1 3.64Å; Y111-V213 VanDerWaalsContact OH-CG1 3.29Å; Y111-V213 WeakPolarHBondContact OH-CG1 3.23Å; Y111-L214 HydrophobicContact CD1-CD2 4Å; Y111-L214 HydrophobicContact CE1-CD2 3.7Å; Y111-L214 HydrophobicContact CE1-CG 4.36Å
112	N	97.2	Very high	94.6	Very high	33 Å²	33	67 Å²	67	18%	0.176	34%	0.343	C	S	.	.			trans	42.4	55.7	173.5	-172.1	19	0	0	0	112.8	T114 N115 N116 M122 V123 H124	N112-T114 PolarHBondContact O-N 3.41Å; N112-T114 VanDerWaalsContact O-N 3.12Å; N112-T114 PolarHBondContact OD1-OG1 3.22Å; N112-N115 WeakPolarHBondContact O-CA 3.39Å; N112-N115 PolarHBondContact O-N 3.03Å; N112-N115 PolarHBondContact OD1-N 3Å; N112-N116 PolarHBondContact ND2-O 3.08Å; N112-N116 PolarHBondContact OD1-N 3.46Å; N112-M122 HydrophobicContact CB-CB 4.36Å; N112-M122 HydrophobicContact CB-CG 4.34Å; N112-M122 HydrophobicContact CB-SD 4.17Å; N112-V123 CarbonylContact C-O 3.57Å; N112-V123 WeakPolarHBondContact CA-O 3.49Å; N112-V123 PolarHBondContact N-O 3.09Å; N112-H124 PolarHBondContact N-ND1 2.7Å
113	I	97.9	Very high	94.6	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.015	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.8	-174.5	68.8	-176.6	0	0	0	112	Y37 L66 R100 I102 W110 Y111 N115 V123 W137	Y37-I113 HydrophobicContact CD1-CB 4.32Å; Y37-I113 HydrophobicContact CD1-CD1 3.73Å; Y37-I113 HydrophobicContact CD1-CG1 3.9Å; Y37-I113 HydrophobicContact CE1-CB 4.37Å; Y37-I113 HydrophobicContact CE1-CD1 4.39Å; Y37-I113 HydrophobicContact CE1-CG1 4.07Å; Y37-I113 WeakPolarHBondContact CE1-O 3.27Å; Y37-I113 HydrophobicContact CG-CD1 4.06Å; L66-I113 HydrophobicContact CD2-CG2 4.05Å; R100-I113 PolarHBondContact NH1-O 2.86Å; R100-I113 PolarHBondContact NH2-O 2.79Å; I102-I113 HydrophobicContact CD1-CB 3.97Å; I102-I113 HydrophobicContact CG2-CG2 4.5Å; W110-I113 HydrophobicContact CB-CG2 3.58Å; Y111-I113 VanDerWaalsContact C-N 3.31Å; Y111-I113 PolarHBondContact O-N 3.15Å; I113-N115 PolarHBondContact O-N 3.3Å; I113-V123 HydrophobicContact CD1-CB 4.23Å; I113-V123 HydrophobicContact CD1-CG1 3.81Å; I113-V123 HydrophobicContact CG1-CB 3.98Å; I113-V123 HydrophobicContact CG1-CG1 4.12Å; I113-V123 WeakPolarHBondContact CG1-O 3.09Å; I113-V123 PolarHBondContact N-O 2.88Å; I113-W137 HydrophobicContact CD1-CE3 3.77Å; I113-W137 HydrophobicContact CD1-CH2 4.42Å; I113-W137 HydrophobicContact CD1-CZ3 3.29Å
114	T	95.8	Very high	94.6	Very high	31 Å²	31	61 Å²	61	19%	0.19	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.9	175.1	49	0	0	0	0	112.6	Y37 N112 N116 V123	Y37-T114 HydrophobicContact CE2-CG2 4.33Å; N112-T114 PolarHBondContact O-N 3.41Å; N112-T114 VanDerWaalsContact O-N 3.12Å; N112-T114 PolarHBondContact OD1-OG1 3.22Å; T114-N116 PolarHBondContact O-N 3.21Å; T114-N116 PolarHBondContact OG1-ND2 3.13Å; T114-V123 HydrophobicContact CG2-CB 4.09Å; T114-V123 HydrophobicContact CG2-CG2 3.82Å
115	N	93.1	Very high	94.6	Very high	124 Å²	124	60.3 Å²	60.3	66%	0.663	31%	0.313	S	S	*	.			trans	55	37	-177.7	-165.4	53.1	0	0	0	112.5	N112 I113	N112-N115 WeakPolarHBondContact O-CA 3.39Å; N112-N115 PolarHBondContact O-N 3.03Å; N112-N115 PolarHBondContact OD1-N 3Å; I113-N115 PolarHBondContact O-N 3.3Å
116	N	92	Very high	94.7	Very high	68 Å²	68	56.3 Å²	56.3	36%	0.364	29%	0.291	S	S	.	.			trans	-78.6	157.3	177.2	-71.7	-16.8	0	0	0	110.4	N112 T114 C120 E121	N112-N116 PolarHBondContact ND2-O 3.08Å; N112-N116 PolarHBondContact OD1-N 3.46Å; T114-N116 PolarHBondContact O-N 3.21Å; T114-N116 PolarHBondContact OG1-ND2 3.13Å; N116-C120 HydrophobicContact CB-CB 3.95Å; N116-E121 WeakPolarHBondContact CB-O 3.29Å; N116-E121 PolarHBondContact ND2-O 3.13Å
117	E	89.6	Confident	94.8	Very high	146 Å²	146	48.7 Å²	48.7	68%	0.682	25%	0.251	S	S	*	.			trans	-62.9	158	175	-63.3	-176	177.8	0	0	112	N119 C120	E117-N119 PolarHBondContact O-N 3.44Å; E117-C120 WeakPolarHBondContact O-CB 3.47Å; E117-C120 PolarHBondContact O-N 3.46Å
118	E	80.7	Confident	94.8	Very high	160 Å²	160	46.3 Å²	46.3	75%	0.748	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.4	-174.9	-73	-175.8	175.3	0	0	114.6	M122	E118-M122 HydrophobicContact CB-CE 4.21Å; E118-M122 HydrophobicContact CG-CE 4.4Å; E118-M122 WeakPolarHBondContact O-CE 3.23Å
119	N	84.7	Confident	94.9	Very high	143 Å²	143	49.9 Å²	49.9	77%	0.765	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	4.7	179.7	-63.4	-45.6	0	0	0	113.6	E117 P142	E117-N119 PolarHBondContact O-N 3.44Å; N119-P142 VanDerWaalsContact C-CG 3.42Å; N119-P142 WeakPolarHBondContact O-CG 3.41Å
120	C	91.6	Very high	94.8	Very high	48 Å²	48	50.6 Å²	50.6	32%	0.324	26%	0.256	S	S	.	.	S	Bend	trans	-108.2	167.6	177.1	-65.8	0	0	0	0	111.3	N116 E117 M122 P142	N116-C120 HydrophobicContact CB-CB 3.95Å; E117-C120 WeakPolarHBondContact O-CB 3.47Å; E117-C120 PolarHBondContact O-N 3.46Å; C120-M122 PolarHBondContact O-N 2.88Å; C120-P142 WeakPolarHBondContact O-CD 3.48Å
121	E	93.4	Very high	94.6	Very high	81 Å²	81	54 Å²	54	38%	0.379	28%	0.277	S	S	.	.			trans	-60.1	131.8	173.2	-62.6	95.8	156.6	0	0	111.9	N116 I140 K141	N116-E121 WeakPolarHBondContact CB-O 3.29Å; N116-E121 PolarHBondContact ND2-O 3.13Å; E121-I140 CarbonylContact C-O 3.58Å; E121-I140 WeakPolarHBondContact CA-O 3.38Å; E121-K141 HydrophobicContact CG-CB 4.27Å; E121-K141 HydrophobicContact CG-CD 3.61Å; E121-K141 HydrophobicContact CG-CG 3.54Å; E121-K141 VanDerWaalsContact OE1-CE 3.27Å; E121-K141 WeakPolarHBondContact OE1-CE 3.43Å; E121-K141 IonicContact OE1-NZ 3.56Å; E121-K141 PolarHBondContact OE1-NZ 3.12Å
122	M	96.3	Very high	94.4	Very high	29 Å²	29	55.7 Å²	55.7	14%	0.143	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.1	176.8	-59.9	-177.8	-153.7	0	0	110.6	N112 E118 C120 I139 I140	N112-M122 HydrophobicContact CB-CB 4.36Å; N112-M122 HydrophobicContact CB-CG 4.34Å; N112-M122 HydrophobicContact CB-SD 4.17Å; E118-M122 HydrophobicContact CB-CE 4.21Å; E118-M122 HydrophobicContact CG-CE 4.4Å; E118-M122 WeakPolarHBondContact O-CE 3.23Å; C120-M122 PolarHBondContact O-N 2.88Å; M122-I139 WeakPolarHBondContact O-CA 3.47Å; M122-I140 PolarHBondContact N-O 3.42Å; M122-I140 PolarHBondContact O-N 3.36Å
123	V	98.4	Very high	94.2	Very high	30 Å²	30	55.1 Å²	55.1	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.7	171	-174.1	0	0	0	0	108.6	N112 I113 T114 W137 L138 I139	N112-V123 CarbonylContact C-O 3.57Å; N112-V123 WeakPolarHBondContact CA-O 3.49Å; N112-V123 PolarHBondContact N-O 3.09Å; I113-V123 HydrophobicContact CD1-CB 4.23Å; I113-V123 HydrophobicContact CD1-CG1 3.81Å; I113-V123 HydrophobicContact CG1-CB 3.98Å; I113-V123 HydrophobicContact CG1-CG1 4.12Å; I113-V123 WeakPolarHBondContact CG1-O 3.09Å; I113-V123 PolarHBondContact N-O 2.88Å; T114-V123 HydrophobicContact CG2-CB 4.09Å; T114-V123 HydrophobicContact CG2-CG2 3.82Å; V123-W137 HydrophobicContact CG1-CE3 4.18Å; V123-L138 CarbonylContact C-O 3.54Å; V123-L138 WeakPolarHBondContact CA-O 3.3Å; V123-I139 HydrophobicContact CG1-CG1 4.48Å; V123-I139 HydrophobicContact CG2-CG1 4.27Å
124	H	98.5	Very high	94.1	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	157.5	169	-52	-87.2	0	0	0	109.2	W110 Y111 N112 L138 L210	W110-H124 CarbonylContact O-C 3.48Å; W110-H124 VanDerWaalsContact O-CA 3.23Å; W110-H124 WeakPolarHBondContact O-CA 3.37Å; Y111-H124 WeakPolarHBondContact CA-ND1 3.36Å; Y111-H124 AromaticContact CD1-CE1 3.81Å; Y111-H124 AromaticContact CD1-ND1 3.35Å; Y111-H124 VanDerWaalsContact CD1-ND1 3.35Å; Y111-H124 WeakPolarHBondContact CD1-ND1 3.47Å; Y111-H124 AromaticContact CG-ND1 3.93Å; N112-H124 PolarHBondContact N-ND1 2.7Å; H124-L138 HydrophobicContact CB-CB 4.32Å; H124-L138 PolarHBondContact N-O 2.87Å; H124-L138 PolarHBondContact O-N 3.05Å; H124-L210 HydrophobicContact CB-CD2 3.93Å
125	A	98.7	Very high	94.1	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.1	174.5	0	0	0	0	0	111.3	L66 W110 V135 G136 W137	L66-A125 HydrophobicContact CD1-CB 3.61Å; W110-A125 HydrophobicContact CB-CB 4.15Å; W110-A125 HydrophobicContact CE3-CB 4.29Å; W110-A125 PolarHBondContact N-O 3.31Å; W110-A125 PolarHBondContact O-N 3.42Å; A125-V135 HydrophobicContact CB-CG1 3.81Å; A125-G136 VanDerWaalsContact CA-O 3.29Å; A125-G136 WeakPolarHBondContact CA-O 3.46Å; A125-W137 HydrophobicContact CB-CE3 3.73Å; A125-W137 HydrophobicContact CB-CZ3 3.83Å
126	M	98.3	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.9	178	66.8	-129.8	98.6	0	0	110.6	F109 I128 V135 G136 L138 M198 E206 L207 L210	F109-M126 HydrophobicContact CD1-CB 3.64Å; F109-M126 HydrophobicContact CE1-CB 3.75Å; M126-I128 HydrophobicContact CG-CG2 4.17Å; M126-V135 WeakPolarHBondContact O-CA 3.39Å; M126-G136 VanDerWaalsContact CE-O 3.24Å; M126-G136 WeakPolarHBondContact CE-O 3.32Å; M126-G136 PolarHBondContact N-O 3.13Å; M126-G136 PolarHBondContact O-N 2.96Å; M126-L138 HydrophobicContact CE-CB 4.01Å; M126-M198 HydrophobicContact CE-CE 3.75Å; M126-M198 HydrophobicContact SD-CE 4.46Å; M126-E206 HydrophobicContact CB-CB 4.32Å; M126-E206 HydrophobicContact CG-CB 4.24Å; M126-L207 HydrophobicContact CE-CD1 4.1Å; M126-L207 VanDerWaalsContact SD-CA 3.52Å; M126-L207 HydrophobicContact SD-CB 3.84Å; M126-L207 HydrophobicContact SD-CD1 3.89Å; M126-L207 HydrophobicContact SD-CG 4.48Å; M126-L210 HydrophobicContact CE-CD2 4.05Å; M126-L210 HydrophobicContact SD-CD2 3.91Å
127	S	97.1	Very high	94.7	Very high	10 Å²	10	48.4 Å²	48.4	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.4	169.5	-171.1	0	0	0	0	108.9	H72	H72-S127 WeakPolarHBondContact CB-OG 3.41Å; H72-S127 PolarHBondContact O-OG 2.86Å
128	I	97.1	Very high	95.1	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	157.3	173.2	62	-175.7	0	0	0	109.6	M126 S134 M198 T201	M126-I128 HydrophobicContact CG-CG2 4.17Å; I128-S134 PolarHBondContact N-O 3.47Å; I128-M198 HydrophobicContact CG2-SD 4.15Å; I128-T201 HydrophobicContact CD1-CG2 4.31Å
129	K	96.9	Very high	96	Very high	81 Å²	81	36.3 Å²	36.3	35%	0.352	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-90.8	115.8	-172.3	-61.1	-63.7	-175.6	-175.8	0	111.1	T201 Y202 D203	K129-T201 PolarHBondContact N-OG1 2.76Å; K129-T201 CarbonylContact O-C 3.58Å; K129-T201 WeakPolarHBondContact O-CA 3.37Å; K129-T201 PolarHBondContact O-OG1 2.82Å; K129-T201 VanDerWaalsContact O-OG1 3.07Å; K129-Y202 VanDerWaalsContact C-CE1 3.49Å; K129-Y202 HydrophobicContact CB-CD1 4.08Å; K129-Y202 HydrophobicContact CB-CD2 4.38Å; K129-Y202 HydrophobicContact CB-CE1 3.58Å; K129-Y202 HydrophobicContact CB-CE2 3.89Å; K129-Y202 HydrophobicContact CB-CG 4.49Å; K129-Y202 VanDerWaalsContact CB-CZ 3.48Å; K129-Y202 WeakPolarHBondContact O-CD1 3.33Å; K129-Y202 WeakPolarHBondContact O-CE1 3.38Å; K129-Y202 PolarHBondContact O-N 3.44Å; K129-D203 HydrophobicContact CB-CB 3.94Å; K129-D203 HydrophobicContact CG-CB 3.97Å; K129-D203 PolarHBondContact N-O 3.02Å
130	H	96.4	Very high	96.5	Very high	16 Å²	16	30 Å²	30	7%	0.074	16%	0.158	C	C	.	.	S	Bend	trans	-146.3	-177.4	177.5	-171.6	52.2	0	0	0	110.6	I132 S134 D200 G246 H247	H130-I132 PolarHBondContact O-N 3.11Å; H130-S134 WeakPolarHBondContact CB-OG 3.12Å; H130-D200 VanDerWaalsContact CB-O 3.31Å; H130-D200 WeakPolarHBondContact CB-O 3.28Å; H130-G246 PolarHBondContact ND1-O 3.17Å; H130-H247 AromaticContact CE1-CE1 3.69Å; H130-H247 AromaticContact CE1-NE2 3.89Å
131	T	94.8	Very high	96.6	Very high	74 Å²	74	31.9 Å²	31.9	45%	0.454	16%	0.161	S	C	.	.	S	Bend	trans	-71.7	-17.1	178.2	62.1	0	0	0	0	113.8	P74 K245	P74-T131 WeakPolarHBondContact CG-O 3.45Å; T131-K245 VanDerWaalsContact CG2-O 3.29Å; T131-K245 WeakPolarHBondContact CG2-O 3.44Å
132	I	93.4	Very high	96.4	Very high	86 Å²	86	29.9 Å²	29.9	44%	0.441	16%	0.155	S	C	.	.	S	Bend	trans	-130.8	163	172.5	65.3	168.3	0	0	0	109.2	W77 H130 S134	W77-I132 HydrophobicContact CH2-CB 4.17Å; W77-I132 HydrophobicContact CH2-CG2 4.19Å; W77-I132 HydrophobicContact CZ3-CB 3.9Å; W77-I132 HydrophobicContact CZ3-CG2 3.71Å; H130-I132 PolarHBondContact O-N 3.11Å; I132-S134 PolarHBondContact O-N 2.83Å; I132-S134 VanDerWaalsContact O-N 3.07Å; I132-S134 PolarHBondContact O-OG 2.71Å
133	P	93.5	Very high	95.9	Very high	22 Å²	22	29.5 Å²	29.5	14%	0.143	15%	0.153	C	C	.	.			trans	-52.2	115.1	171.2	-30.1	38.1	0	0	0	112.1	L68 C73 W77	L68-P133 HydrophobicContact CD2-CB 3.84Å; C73-P133 HydrophobicContact CB-CG 4.49Å; W77-P133 HydrophobicContact CD2-CG 3.91Å; W77-P133 HydrophobicContact CE3-CG 4.37Å; W77-P133 HydrophobicContact CG-CG 4.38Å; W77-P133 HydrophobicContact CH2-CG 4.34Å; W77-P133 HydrophobicContact CZ2-CG 3.88Å
134	S	95.5	Very high	95.1	Very high	17 Å²	17	34.2 Å²	34.2	12%	0.119	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.1	-176.4	-74.4	0	0	0	0	110.7	I128 H130 I132	I128-S134 PolarHBondContact N-O 3.47Å; H130-S134 WeakPolarHBondContact CB-OG 3.12Å; I132-S134 PolarHBondContact O-N 2.83Å; I132-S134 VanDerWaalsContact O-N 3.07Å; I132-S134 PolarHBondContact O-OG 2.71Å
135	V	96.8	Very high	94.2	Very high	14 Å²	14	38.5 Å²	38.5	9%	0.085	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.9	-176.3	176.9	0	0	0	0	110.2	L66 A125 M126 W137	L66-V135 HydrophobicContact CD1-CG1 3.72Å; L66-V135 HydrophobicContact CD1-CG2 4.19Å; A125-V135 HydrophobicContact CB-CG1 3.81Å; M126-V135 WeakPolarHBondContact O-CA 3.39Å; V135-W137 HydrophobicContact CB-CZ2 4.3Å; V135-W137 HydrophobicContact CG1-CD2 4.18Å; V135-W137 HydrophobicContact CG1-CE3 4.41Å; V135-W137 HydrophobicContact CG1-CH2 4.08Å; V135-W137 HydrophobicContact CG1-CZ2 3.81Å; V135-W137 HydrophobicContact CG1-CZ3 4.34Å
136	G	98.2	Very high	93.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	153.2	164.8	0	0	0	0	0	111.1	A125 M126	A125-G136 VanDerWaalsContact CA-O 3.29Å; A125-G136 WeakPolarHBondContact CA-O 3.46Å; M126-G136 VanDerWaalsContact CE-O 3.24Å; M126-G136 WeakPolarHBondContact CE-O 3.32Å; M126-G136 PolarHBondContact N-O 3.13Å; M126-G136 PolarHBondContact O-N 2.96Å
137	W	98.7	Very high	92.8	Very high	54 Å²	54	43.2 Å²	43.2	21%	0.205	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.9	-177.8	-48.9	87.8	0	0	0	111.3	L66 I113 V123 A125 V135 A196 I197 M198	L66-W137 HydrophobicContact CD1-CH2 3.65Å; L66-W137 HydrophobicContact CD1-CZ3 3.76Å; L66-W137 HydrophobicContact CG-CH2 4.3Å; I113-W137 HydrophobicContact CD1-CE3 3.77Å; I113-W137 HydrophobicContact CD1-CH2 4.42Å; I113-W137 HydrophobicContact CD1-CZ3 3.29Å; V123-W137 HydrophobicContact CG1-CE3 4.18Å; A125-W137 HydrophobicContact CB-CE3 3.73Å; A125-W137 HydrophobicContact CB-CZ3 3.83Å; V135-W137 HydrophobicContact CB-CZ2 4.3Å; V135-W137 HydrophobicContact CG1-CD2 4.18Å; V135-W137 HydrophobicContact CG1-CE3 4.41Å; V135-W137 HydrophobicContact CG1-CH2 4.08Å; V135-W137 HydrophobicContact CG1-CZ2 3.81Å; V135-W137 HydrophobicContact CG1-CZ3 4.34Å; W137-A196 CarbonylContact O-C 3.57Å; W137-A196 VanDerWaalsContact O-CA 3.24Å; W137-A196 WeakPolarHBondContact O-CA 3.42Å; W137-I197 PolarHBondContact N-O 2.86Å; W137-I197 PolarHBondContact O-N 2.92Å; W137-M198 WeakPolarHBondContact O-CE 3.07Å
138	L	98.7	Very high	92.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113.6	174.8	173	64.8	0	0	0	109.4	V123 H124 M126 I140 I195 A196 L207 L210 M211 L214 L225	V123-L138 CarbonylContact C-O 3.54Å; V123-L138 WeakPolarHBondContact CA-O 3.3Å; H124-L138 HydrophobicContact CB-CB 4.32Å; H124-L138 PolarHBondContact N-O 2.87Å; H124-L138 PolarHBondContact O-N 3.05Å; M126-L138 HydrophobicContact CE-CB 4.01Å; L138-I140 HydrophobicContact CD1-CG1 4.26Å; L138-I140 HydrophobicContact CD2-CD1 3.9Å; L138-I140 HydrophobicContact CD2-CG1 4.33Å; L138-I140 HydrophobicContact CG-CD1 4.07Å; L138-I140 HydrophobicContact CG-CG1 3.94Å; L138-I195 CarbonylContact C-O 3.57Å; L138-I195 WeakPolarHBondContact CA-O 3.14Å; L138-A196 HydrophobicContact CD1-CB 4.18Å; L138-L207 HydrophobicContact CB-CD1 4.47Å; L138-L207 HydrophobicContact CD1-CD1 4.38Å; L138-L207 HydrophobicContact CD2-CD1 4.48Å; L138-L210 HydrophobicContact CB-CD2 4.18Å; L138-L210 HydrophobicContact CD2-CD2 3.67Å; L138-L210 HydrophobicContact CD2-CG 3.91Å; L138-M211 HydrophobicContact CD1-SD 3.84Å; L138-M211 HydrophobicContact CD2-CG 4.37Å; L138-M211 HydrophobicContact CD2-SD 3.51Å; L138-M211 VanDerWaalsContact CD2-SD 3.51Å; L138-M211 HydrophobicContact CG-SD 4.33Å; L138-L214 HydrophobicContact CD2-CD1 3.74Å; L138-L225 HydrophobicContact CD1-CD1 3.93Å
139	I	98	Very high	92.4	Very high	52 Å²	52	45.7 Å²	45.7	27%	0.267	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.6	177.9	-53.4	167.3	0	0	0	107.9	M122 V123 R194 I195 I197	M122-I139 WeakPolarHBondContact O-CA 3.47Å; V123-I139 HydrophobicContact CG1-CG1 4.48Å; V123-I139 HydrophobicContact CG2-CG1 4.27Å; I139-R194 WeakPolarHBondContact O-CA 3.39Å; I139-I195 HydrophobicContact CB-CB 4.38Å; I139-I195 PolarHBondContact N-O 3.22Å; I139-I195 PolarHBondContact O-N 2.92Å; I139-I197 HydrophobicContact CD1-CD1 4.36Å
140	I	96	Very high	92.2	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.6	179.9	-62.8	179.5	0	0	0	108.7	E121 M122 L138 R194 L214 I220	E121-I140 CarbonylContact C-O 3.58Å; E121-I140 WeakPolarHBondContact CA-O 3.38Å; M122-I140 PolarHBondContact N-O 3.42Å; M122-I140 PolarHBondContact O-N 3.36Å; L138-I140 HydrophobicContact CD1-CG1 4.26Å; L138-I140 HydrophobicContact CD2-CD1 3.9Å; L138-I140 HydrophobicContact CD2-CG1 4.33Å; L138-I140 HydrophobicContact CG-CD1 4.07Å; L138-I140 HydrophobicContact CG-CG1 3.94Å; I140-R194 HydrophobicContact CG1-CG 4.32Å; I140-R194 HydrophobicContact CG2-CG 4.5Å; I140-L214 HydrophobicContact CD1-CD1 3.54Å; I140-I220 HydrophobicContact CD1-CG2 3.86Å; I140-I220 HydrophobicContact CG2-CG2 4.15Å
141	K	93.6	Very high	92.2	Very high	86 Å²	86	49.9 Å²	49.9	37%	0.374	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-87.2	139.6	159	-53.3	-145.8	178.5	-157.9	0	108.2	E121 G192 H193	E121-K141 HydrophobicContact CG-CB 4.27Å; E121-K141 HydrophobicContact CG-CD 3.61Å; E121-K141 HydrophobicContact CG-CG 3.54Å; E121-K141 VanDerWaalsContact OE1-CE 3.27Å; E121-K141 WeakPolarHBondContact OE1-CE 3.43Å; E121-K141 IonicContact OE1-NZ 3.56Å; E121-K141 PolarHBondContact OE1-NZ 3.12Å; K141-G192 CarbonylContact O-C 3.58Å; K141-G192 VanDerWaalsContact O-CA 3.26Å; K141-G192 WeakPolarHBondContact O-CA 3.35Å; K141-H193 HydrophobicContact CG-CB 4.21Å; K141-H193 PolarHBondContact N-O 2.79Å
142	P	88.4	Confident	92.2	Very high	39 Å²	39	48.9 Å²	48.9	25%	0.253	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-68.1	152	176.4	25.1	-29.6	0	0	0	110.7	N119 C120 Q144	N119-P142 VanDerWaalsContact C-CG 3.42Å; N119-P142 WeakPolarHBondContact O-CG 3.41Å; C120-P142 WeakPolarHBondContact O-CD 3.48Å; P142-Q144 PolarHBondContact O-N 3.25Å
143	D	86.7	Confident	92.3	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.118	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-64.5	129	175.6	-71.3	3.8	0	0	0	110.1	R189 R191 G192 R194 T221	D143-R189 IonicContact OD2-NE 2.93Å; D143-R191 WeakPolarHBondContact OD1-CA 3.36Å; D143-R191 WeakPolarHBondContact OD1-CG 3.2Å; D143-G192 PolarHBondContact OD1-N 2.76Å; D143-R194 IonicContact OD1-NH2 3.57Å; D143-T221 WeakPolarHBondContact OD2-CB 3.46Å; D143-T221 WeakPolarHBondContact OD2-CG2 3.44Å; D143-T221 PolarHBondContact OD2-OG1 3.23Å
144	Q	81.7	Confident	92.4	Very high	128 Å²	128	47.8 Å²	47.8	60%	0.598	26%	0.262	S	S	*	.	B	Isolated β-bridge	trans	-72.7	134.6	-178.9	-63.5	-176	14.1	0	0	110.2	P142 R189 L190	P142-Q144 PolarHBondContact O-N 3.25Å; Q144-R189 WeakPolarHBondContact O-CG 3.39Å; Q144-L190 HydrophobicContact CB-CB 4.48Å; Q144-L190 PolarHBondContact N-O 2.88Å
145	S	78.9	Confident	92.4	Very high	93 Å²	93	54 Å²	54	65%	0.65	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-55.8	141	171.1	-71.7	0	0	0	0	110.5	S147	S145-S147 PolarHBondContact O-N 3.1Å
146	P	82.3	Confident	92.3	Very high	42 Å²	42	56.6 Å²	56.6	27%	0.273	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-47.9	128.7	175.2	-29.9	36.7	0	0	0	111.9	L186 K187 R189	P146-L186 HydrophobicContact CB-CB 4.05Å; P146-L186 HydrophobicContact CB-CD1 3.97Å; P146-L186 HydrophobicContact CB-CD2 4.49Å; P146-L186 HydrophobicContact CB-CG 4.4Å; P146-K187 WeakPolarHBondContact CB-O 3.44Å; P146-R189 HydrophobicContact CG-CB 4.15Å; P146-R189 HydrophobicContact CG-CG 4.44Å
147	S	86.6	Confident	92.2	Very high	57 Å²	57	58.6 Å²	58.6	40%	0.399	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-88.1	135.3	178.9	56.6	0	0	0	0	110.4	S145 C149 K187	S145-S147 PolarHBondContact O-N 3.1Å; S147-C149 PolarHBondContact O-N 3.08Å; S147-K187 PolarHBondContact O-N 3.38Å; S147-K187 WeakPolarHBondContact OG-CD 3.35Å
148	L	90.7	Very high	92	Very high	33 Å²	33	56 Å²	56	17%	0.173	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-75.3	124.3	177.4	-177.7	73.7	0	0	0	110.5	V150 A153 M164 L167 V185 L186	L148-V150 VanDerWaalsContact C-N 3.33Å; L148-V150 HydrophobicContact CD2-CG2 4.25Å; L148-V150 HydrophobicContact CG-CG2 4.49Å; L148-V150 PolarHBondContact O-N 2.91Å; L148-A153 HydrophobicContact CD1-CB 4.4Å; L148-M164 HydrophobicContact CD2-CB 3.65Å; L148-M164 HydrophobicContact CD2-CG 3.88Å; L148-M164 HydrophobicContact CD2-SD 3.88Å; L148-L167 HydrophobicContact CD1-CB 4.48Å; L148-V185 HydrophobicContact CD1-CB 3.73Å; L148-V185 HydrophobicContact CD1-CG2 3.39Å; L148-L186 HydrophobicContact CB-CD2 4.03Å; L148-L186 HydrophobicContact CD1-CD2 3.83Å
149	C	93.5	Very high	91.8	Very high	32 Å²	32	59.3 Å²	59.3	22%	0.216	33%	0.331	C	S	.	.			trans	-75.5	88.7	164.7	-167.4	0	0	0	0	109.2	S147 E151 T152 A153 V185	S147-C149 PolarHBondContact O-N 3.08Å; C149-E151 PolarHBondContact O-N 2.94Å; C149-T152 PolarHBondContact O-N 2.98Å; C149-T152 VanDerWaalsContact O-N 3.14Å; C149-T152 PolarHBondContact SG-OG1 2.84Å; C149-A153 PolarHBondContact O-N 2.85Å; C149-V185 WeakPolarHBondContact CA-O 3.48Å; C149-V185 VanDerWaalsContact CB-O 3.23Å; C149-V185 WeakPolarHBondContact CB-O 3.27Å; C149-V185 PolarHBondContact N-O 2.87Å
150	V	94	Very high	91.5	Very high	61 Å²	61	64.4 Å²	64.4	37%	0.37	35%	0.352	S	S	.	.	H	α-helix	trans	-55.9	-38.4	-178.9	177.7	0	0	0	0	111.4	L148 A153 I154 M164	L148-V150 VanDerWaalsContact C-N 3.33Å; L148-V150 HydrophobicContact CD2-CG2 4.25Å; L148-V150 HydrophobicContact CG-CG2 4.49Å; L148-V150 PolarHBondContact O-N 2.91Å; V150-A153 PolarHBondContact O-N 2.91Å; V150-I154 HydrophobicContact CG1-CD1 3.8Å; V150-I154 HydrophobicContact CG1-CG1 4.37Å; V150-I154 VanDerWaalsContact O-CG1 3.27Å; V150-I154 WeakPolarHBondContact O-CG1 3.32Å; V150-I154 PolarHBondContact O-N 2.97Å; V150-M164 HydrophobicContact CG1-CE 4.17Å; V150-M164 HydrophobicContact CG1-SD 4.3Å
151	E	95.7	Very high	91.4	Very high	125 Å²	125	66.2 Å²	66.2	58%	0.584	37%	0.373	S	S	*	.	H	α-helix	trans	-62.6	-46.9	178	-167.8	-171.3	154.7	0	0	112	C149 I154 K155	C149-E151 PolarHBondContact O-N 2.94Å; E151-I154 PolarHBondContact O-N 2.95Å; E151-K155 HydrophobicContact CG-CD 4.4Å; E151-K155 WeakPolarHBondContact O-CG 3.37Å; E151-K155 PolarHBondContact O-N 3.39Å; E151-K155 WeakPolarHBondContact OE1-CE 3.24Å; E151-K155 IonicContact OE1-NZ 3.27Å; E151-K155 PolarHBondContact OE1-NZ 3.49Å
152	T	95.5	Very high	91.5	Very high	52 Å²	52	71.5 Å²	71.5	32%	0.319	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-43.4	175.8	-55.2	0	0	0	0	111.2	C149 I154 K155 L156 D184 V185	C149-T152 PolarHBondContact O-N 2.98Å; C149-T152 VanDerWaalsContact O-N 3.14Å; C149-T152 PolarHBondContact SG-OG1 2.84Å; T152-I154 PolarHBondContact O-N 3.15Å; T152-K155 WeakPolarHBondContact O-CB 3.24Å; T152-K155 PolarHBondContact O-N 2.69Å; T152-L156 HydrophobicContact CG2-CD1 4.17Å; T152-L156 HydrophobicContact CG2-CG 4.48Å; T152-L156 WeakPolarHBondContact O-CG 3.34Å; T152-L156 PolarHBondContact O-N 2.84Å; T152-D184 VanDerWaalsContact CG2-O 3.3Å; T152-D184 WeakPolarHBondContact CG2-O 3.38Å; T152-V185 HydrophobicContact CG2-CG1 4.41Å
153	A	94.9	Very high	91.8	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-44	178.1	0	0	0	0	0	112.2	L148 C149 V150 L156 G157 V158 M164 V185	L148-A153 HydrophobicContact CD1-CB 4.4Å; C149-A153 PolarHBondContact O-N 2.85Å; V150-A153 PolarHBondContact O-N 2.91Å; A153-L156 PolarHBondContact O-N 2.79Å; A153-G157 PolarHBondContact O-N 3.33Å; A153-V158 HydrophobicContact CB-CB 4.25Å; A153-V158 VanDerWaalsContact O-CB 3.3Å; A153-V158 WeakPolarHBondContact O-CB 3.28Å; A153-V158 PolarHBondContact O-N 2.88Å; A153-M164 HydrophobicContact CB-CE 3.93Å; A153-M164 HydrophobicContact CB-CG 4.47Å; A153-V185 HydrophobicContact CB-CB 4.24Å; A153-V185 HydrophobicContact CB-CG1 3.84Å
154	I	95.8	Very high	92.1	Very high	85 Å²	85	71.7 Å²	71.7	44%	0.436	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-43.2	175.4	-68	169.4	0	0	0	110.9	V150 E151 T152 L156 G157 K160 M164	V150-I154 HydrophobicContact CG1-CD1 3.8Å; V150-I154 HydrophobicContact CG1-CG1 4.37Å; V150-I154 VanDerWaalsContact O-CG1 3.27Å; V150-I154 WeakPolarHBondContact O-CG1 3.32Å; V150-I154 PolarHBondContact O-N 2.97Å; E151-I154 PolarHBondContact O-N 2.95Å; T152-I154 PolarHBondContact O-N 3.15Å; I154-L156 PolarHBondContact O-N 2.85Å; I154-G157 WeakPolarHBondContact O-CA 3.46Å; I154-G157 PolarHBondContact O-N 3.43Å; I154-K160 HydrophobicContact CD1-CG 4.44Å; I154-M164 HydrophobicContact CD1-CE 4.4Å; I154-M164 HydrophobicContact CG1-CE 3.63Å
155	K	95.9	Very high	92.6	Very high	149 Å²	149	66.7 Å²	66.7	65%	0.648	37%	0.371	S	S	*	.	H	α-helix	trans	-60.7	-32.1	176.6	-77.2	171.2	171	170.1	0	112.7	E151 T152 G157	E151-K155 HydrophobicContact CG-CD 4.4Å; E151-K155 WeakPolarHBondContact O-CG 3.37Å; E151-K155 PolarHBondContact O-N 3.39Å; E151-K155 WeakPolarHBondContact OE1-CE 3.24Å; E151-K155 IonicContact OE1-NZ 3.27Å; E151-K155 PolarHBondContact OE1-NZ 3.49Å; T152-K155 WeakPolarHBondContact O-CB 3.24Å; T152-K155 PolarHBondContact O-N 2.69Å; K155-G157 PolarHBondContact O-N 3.17Å
156	L	95	Very high	93.4	Very high	68 Å²	68	63.8 Å²	63.8	36%	0.356	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.5	174.2	-66.3	176.3	0	0	0	113.7	T152 A153 I154 V180 D184 V185	T152-L156 HydrophobicContact CG2-CD1 4.17Å; T152-L156 HydrophobicContact CG2-CG 4.48Å; T152-L156 WeakPolarHBondContact O-CG 3.34Å; T152-L156 PolarHBondContact O-N 2.84Å; A153-L156 PolarHBondContact O-N 2.79Å; I154-L156 PolarHBondContact O-N 2.85Å; L156-V180 HydrophobicContact CB-CG2 4.28Å; L156-V180 HydrophobicContact CD1-CG1 4Å; L156-D184 HydrophobicContact CD1-CB 3.81Å; L156-V185 HydrophobicContact CD1-CG1 3.73Å
157	G	95.1	Very high	93.9	Very high	41 Å²	41	61.8 Å²	61.8	42%	0.423	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	7.6	178.2	0	0	0	0	0	114.4	A153 I154 K155 P159 I175	A153-G157 PolarHBondContact O-N 3.33Å; I154-G157 WeakPolarHBondContact O-CA 3.46Å; I154-G157 PolarHBondContact O-N 3.43Å; K155-G157 PolarHBondContact O-N 3.17Å; G157-P159 WeakPolarHBondContact O-CD 3.43Å; G157-I175 WeakPolarHBondContact O-CD1 3.39Å
158	V	96	Very high	94.1	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.006	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-79.6	117.7	179.5	-171.2	0	0	0	0	109.8	A153 L163 M164 L167 I173 V180	A153-V158 HydrophobicContact CB-CB 4.25Å; A153-V158 VanDerWaalsContact O-CB 3.3Å; A153-V158 WeakPolarHBondContact O-CB 3.28Å; A153-V158 PolarHBondContact O-N 2.88Å; V158-L163 HydrophobicContact CG1-CB 3.94Å; V158-M164 HydrophobicContact CG1-CG 3.79Å; V158-M164 VanDerWaalsContact O-CE 3.22Å; V158-M164 WeakPolarHBondContact O-CE 3.42Å; V158-L167 HydrophobicContact CG1-CD1 4.01Å; V158-L167 HydrophobicContact CG2-CD1 3.97Å; V158-I173 HydrophobicContact CG1-CD1 3.82Å; V158-I173 HydrophobicContact CG2-CD1 4.02Å; V158-V180 HydrophobicContact CG2-CB 4.25Å; V158-V180 HydrophobicContact CG2-CG1 4.03Å; V158-V180 HydrophobicContact CG2-CG2 4.03Å
159	P	93.3	Very high	94.1	Very high	68 Å²	68	71 Å²	71	44%	0.442	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-71.9	151.2	177.9	29.9	-35.6	0	0	0	111.1	G157 G161 L163 I175	G157-P159 WeakPolarHBondContact O-CD 3.43Å; P159-G161 PolarHBondContact O-N 3.42Å; P159-L163 HydrophobicContact CG-CD1 4.07Å; P159-I175 HydrophobicContact CG-CD1 4.13Å
160	K	92.8	Very high	93.9	Very high	160 Å²	160	71.7 Å²	71.7	70%	0.696	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	137.8	171.9	-68.7	-176.2	-179.4	179.7	0	110	I154 M164	I154-K160 HydrophobicContact CD1-CG 4.44Å; K160-M164 HydrophobicContact CB-CE 4.48Å; K160-M164 HydrophobicContact CB-SD 4.43Å; K160-M164 HydrophobicContact CG-CE 3.9Å; K160-M164 HydrophobicContact CG-SD 4.15Å
161	G	93.7	Very high	94	Very high	48 Å²	48	72.4 Å²	72.4	50%	0.495	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	123.3	-142.1	177.8	0	0	0	0	0	112.8	P159 L163 M164 G165	P159-G161 PolarHBondContact O-N 3.42Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 3.24Å; G161-M164 PolarHBondContact O-N 3.44Å; G161-G165 PolarHBondContact O-N 3.05Å
162	R	95.1	Very high	94	Very high	198 Å²	198	69.7 Å²	69.7	75%	0.747	37%	0.368	S	S	*	.	H	α-helix	trans	-52.9	-45.2	-168.5	-178.7	-179.9	163.6	-135.7	-4.3	113.6	M164 G165 E166	R162-M164 PolarHBondContact O-N 2.92Å; R162-G165 CarbonylContact O-C 3.52Å; R162-G165 WeakPolarHBondContact O-CA 3.38Å; R162-G165 PolarHBondContact O-N 3.05Å; R162-E166 IonicContact NE-OE1 3.59Å; R162-E166 IonicContact NH2-OE1 3.85Å; R162-E166 PolarHBondContact O-N 2.78Å
163	L	94.9	Very high	94.1	Very high	51 Å²	51	67.9 Å²	67.9	27%	0.267	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-38.3	-176.7	-68.4	-179.2	0	0	0	113.2	V158 P159 G161 G165 E166 L167 I173 I175	V158-L163 HydrophobicContact CG1-CB 3.94Å; P159-L163 HydrophobicContact CG-CD1 4.07Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 3.24Å; L163-G165 VanDerWaalsContact C-N 3.26Å; L163-G165 PolarHBondContact O-N 2.77Å; L163-E166 WeakPolarHBondContact O-CB 3.31Å; L163-E166 PolarHBondContact O-N 3.42Å; L163-L167 PolarHBondContact O-N 3.3Å; L163-L167 VanDerWaalsContact O-N 3.15Å; L163-I173 HydrophobicContact CB-CD1 3.82Å; L163-I173 HydrophobicContact CD1-CD1 4.46Å; L163-I173 HydrophobicContact CD2-CD1 4.37Å; L163-I173 HydrophobicContact CD2-CG2 4.31Å; L163-I173 HydrophobicContact CG-CD1 4.44Å; L163-I175 HydrophobicContact CD1-CD1 3.82Å
164	M	93.7	Very high	94.2	Very high	14 Å²	14	72.6 Å²	72.6	7%	0.069	39%	0.385	C	S	.	.	H	α-helix	trans	-63.1	-35.5	169.9	-75.6	-171.4	-175.6	0	0	112	L148 V150 A153 I154 V158 K160 G161 R162 L167 K168	L148-M164 HydrophobicContact CD2-CB 3.65Å; L148-M164 HydrophobicContact CD2-CG 3.88Å; L148-M164 HydrophobicContact CD2-SD 3.88Å; V150-M164 HydrophobicContact CG1-CE 4.17Å; V150-M164 HydrophobicContact CG1-SD 4.3Å; A153-M164 HydrophobicContact CB-CE 3.93Å; A153-M164 HydrophobicContact CB-CG 4.47Å; I154-M164 HydrophobicContact CD1-CE 4.4Å; I154-M164 HydrophobicContact CG1-CE 3.63Å; V158-M164 HydrophobicContact CG1-CG 3.79Å; V158-M164 VanDerWaalsContact O-CE 3.22Å; V158-M164 WeakPolarHBondContact O-CE 3.42Å; K160-M164 HydrophobicContact CB-CE 4.48Å; K160-M164 HydrophobicContact CB-SD 4.43Å; K160-M164 HydrophobicContact CG-CE 3.9Å; K160-M164 HydrophobicContact CG-SD 4.15Å; G161-M164 PolarHBondContact O-N 3.44Å; R162-M164 PolarHBondContact O-N 2.92Å; M164-L167 PolarHBondContact O-N 3.03Å; M164-K168 PolarHBondContact O-N 3.09Å
165	G	91.8	Very high	94	Very high	22 Å²	22	69.7 Å²	69.7	23%	0.227	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-37.7	173.4	0	0	0	0	0	113.1	G161 R162 L163 K168 R169	G161-G165 PolarHBondContact O-N 3.05Å; R162-G165 CarbonylContact O-C 3.52Å; R162-G165 WeakPolarHBondContact O-CA 3.38Å; R162-G165 PolarHBondContact O-N 3.05Å; L163-G165 VanDerWaalsContact C-N 3.26Å; L163-G165 PolarHBondContact O-N 2.77Å; G165-K168 PolarHBondContact O-N 2.74Å; G165-R169 WeakPolarHBondContact O-CG 3.15Å; G165-R169 PolarHBondContact O-N 2.98Å; G165-R169 VanDerWaalsContact O-N 3.07Å; G165-R169 PolarHBondContact O-NH1 3Å
166	E	94.8	Very high	93.7	Very high	33 Å²	33	69.9 Å²	69.9	15%	0.154	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-48.5	172.7	-62.3	-57.7	156.6	0	0	110.7	R162 L163 K168 R169 G170 N171 I173	R162-E166 IonicContact NE-OE1 3.59Å; R162-E166 IonicContact NH2-OE1 3.85Å; R162-E166 PolarHBondContact O-N 2.78Å; L163-E166 WeakPolarHBondContact O-CB 3.31Å; L163-E166 PolarHBondContact O-N 3.42Å; E166-K168 VanDerWaalsContact C-N 3.35Å; E166-K168 PolarHBondContact O-N 3.05Å; E166-R169 CarbonylContact O-C 3.58Å; E166-R169 PolarHBondContact O-N 3.21Å; E166-R169 VanDerWaalsContact O-N 3.08Å; E166-R169 IonicContact OE1-NH2 2.68Å; E166-R169 PolarHBondContact OE1-NH2 3.22Å; E166-R169 IonicContact OE2-CZ 3.35Å; E166-R169 IonicContact OE2-NE 2.7Å; E166-R169 IonicContact OE2-NH2 2.71Å; E166-R169 PolarHBondContact OE2-NH2 3.08Å; E166-G170 PolarHBondContact O-N 3.08Å; E166-N171 HydrophobicContact CB-CB 4.13Å; E166-N171 WeakPolarHBondContact O-CB 3.43Å; E166-N171 PolarHBondContact O-N 3.07Å; E166-N171 PolarHBondContact OE2-ND2 2.7Å; E166-I173 HydrophobicContact CB-CG2 3.63Å; E166-I173 HydrophobicContact CG-CG2 4.25Å
167	L	94.3	Very high	93.5	Very high	0 Å²	0	70 Å²	70	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-59.9	-43.4	177.1	-71.5	165.8	0	0	0	112	L148 V158 L163 M164 R169 G170 I173 V180 P182 V185	L148-L167 HydrophobicContact CD1-CB 4.48Å; V158-L167 HydrophobicContact CG1-CD1 4.01Å; V158-L167 HydrophobicContact CG2-CD1 3.97Å; L163-L167 PolarHBondContact O-N 3.3Å; L163-L167 VanDerWaalsContact O-N 3.15Å; M164-L167 PolarHBondContact O-N 3.03Å; L167-R169 PolarHBondContact O-N 2.95Å; L167-G170 PolarHBondContact O-N 3.42Å; L167-I173 HydrophobicContact CD1-CD1 3.74Å; L167-I173 HydrophobicContact CD1-CG1 4.18Å; L167-I173 HydrophobicContact CD2-CG1 4.13Å; L167-I173 HydrophobicContact CG-CD1 4.06Å; L167-I173 HydrophobicContact CG-CG1 4.13Å; L167-I173 HydrophobicContact CG-CG2 4.48Å; L167-V180 HydrophobicContact CD1-CG1 3.96Å; L167-V180 HydrophobicContact CD2-CG1 4.11Å; L167-V180 WeakPolarHBondContact CD2-O 3.43Å; L167-P182 HydrophobicContact CD2-CG 4.39Å; L167-V185 HydrophobicContact CB-CG2 4.01Å; L167-V185 HydrophobicContact CD1-CG2 3.93Å; L167-V185 HydrophobicContact CD2-CG2 4.26Å; L167-V185 HydrophobicContact CG-CG2 4.3Å
168	K	90.1	Very high	93.4	Very high	130 Å²	130	74.8 Å²	74.8	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-63.5	-27.6	176.5	-167.2	177.6	179.3	-175.4	0	113.3	M164 G165 E166	M164-K168 PolarHBondContact O-N 3.09Å; G165-K168 PolarHBondContact O-N 2.74Å; E166-K168 VanDerWaalsContact C-N 3.35Å; E166-K168 PolarHBondContact O-N 3.05Å
169	R	89.5	Confident	93.5	Very high	153 Å²	153	78.4 Å²	78.4	58%	0.577	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	1.5	172.8	-73	-172.8	-64.2	-88.4	3.4	113.6	G165 E166 L167	G165-R169 WeakPolarHBondContact O-CG 3.15Å; G165-R169 PolarHBondContact O-N 2.98Å; G165-R169 VanDerWaalsContact O-N 3.07Å; G165-R169 PolarHBondContact O-NH1 3Å; E166-R169 CarbonylContact O-C 3.58Å; E166-R169 PolarHBondContact O-N 3.21Å; E166-R169 VanDerWaalsContact O-N 3.08Å; E166-R169 IonicContact OE1-NH2 2.68Å; E166-R169 PolarHBondContact OE1-NH2 3.22Å; E166-R169 IonicContact OE2-CZ 3.35Å; E166-R169 IonicContact OE2-NE 2.7Å; E166-R169 IonicContact OE2-NH2 2.71Å; E166-R169 PolarHBondContact OE2-NH2 3.08Å; L167-R169 PolarHBondContact O-N 2.95Å
170	G	90	Very high	93.7	Very high	46 Å²	46	75.3 Å²	75.3	47%	0.474	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	12.4	-179.1	0	0	0	0	0	114.2	E166 L167 P182	E166-G170 PolarHBondContact O-N 3.08Å; L167-G170 PolarHBondContact O-N 3.42Å; G170-P182 WeakPolarHBondContact O-CG 3.26Å
171	N	95.6	Very high	93.9	Very high	76 Å²	76	73.7 Å²	73.7	41%	0.406	40%	0.397	S	S	.	.			trans	-91.3	128.1	178.5	-62.4	-29.2	0	0	0	110.9	E166	E166-N171 HydrophobicContact CB-CB 4.13Å; E166-N171 WeakPolarHBondContact O-CB 3.43Å; E166-N171 PolarHBondContact O-N 3.07Å; E166-N171 PolarHBondContact OE2-ND2 2.7Å
172	T	97.3	Very high	93.9	Very high	69 Å²	69	71.9 Å²	71.9	42%	0.423	38%	0.376	S	S	.	.			trans	-66.8	139	167.1	-56.6	0	0	0	0	110.2	T179 V180 R181	T172-T179 HydrophobicContact CG2-CG2 3.41Å; T172-T179 VanDerWaalsContact CG2-CG2 3.41Å; T172-V180 WeakPolarHBondContact CG2-O 3.17Å; T172-R181 HydrophobicContact CG2-CG 3.99Å
173	I	96.6	Very high	93.9	Very high	13 Å²	13	68.3 Å²	68.3	7%	0.067	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	157.4	176.2	66.1	171.2	0	0	0	110.8	V158 L163 E166 L167 T179 V180	V158-I173 HydrophobicContact CG1-CD1 3.82Å; V158-I173 HydrophobicContact CG2-CD1 4.02Å; L163-I173 HydrophobicContact CB-CD1 3.82Å; L163-I173 HydrophobicContact CD1-CD1 4.46Å; L163-I173 HydrophobicContact CD2-CD1 4.37Å; L163-I173 HydrophobicContact CD2-CG2 4.31Å; L163-I173 HydrophobicContact CG-CD1 4.44Å; E166-I173 HydrophobicContact CB-CG2 3.63Å; E166-I173 HydrophobicContact CG-CG2 4.25Å; L167-I173 HydrophobicContact CD1-CD1 3.74Å; L167-I173 HydrophobicContact CD1-CG1 4.18Å; L167-I173 HydrophobicContact CD2-CG1 4.13Å; L167-I173 HydrophobicContact CG-CD1 4.06Å; L167-I173 HydrophobicContact CG-CG1 4.13Å; L167-I173 HydrophobicContact CG-CG2 4.48Å; I173-T179 WeakPolarHBondContact O-CA 3.48Å; I173-V180 HydrophobicContact CG1-CB 4.06Å; I173-V180 PolarHBondContact N-O 2.68Å; I173-V180 PolarHBondContact O-N 2.78Å
174	V	96.2	Very high	93.9	Very high	99 Å²	99	69.6 Å²	69.6	60%	0.6	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	124	169	-176.3	0	0	0	0	108	K178	V174-K178 CarbonylContact C-O 3.48Å; V174-K178 WeakPolarHBondContact CA-O 3.29Å
175	I	92.2	Very high	93.9	Very high	24 Å²	24	69.1 Å²	69.1	12%	0.123	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.5	177.5	-175.5	159.6	0	0	0	109.2	G157 P159 L163 G177 K178 V180	G157-I175 WeakPolarHBondContact O-CD1 3.39Å; P159-I175 HydrophobicContact CG-CD1 4.13Å; L163-I175 HydrophobicContact CD1-CD1 3.82Å; I175-G177 PolarHBondContact O-N 3.28Å; I175-G177 VanDerWaalsContact O-N 3.13Å; I175-K178 PolarHBondContact N-O 3.01Å; I175-K178 WeakPolarHBondContact O-CA 3.25Å; I175-K178 WeakPolarHBondContact O-CB 3.47Å; I175-K178 PolarHBondContact O-N 2.84Å; I175-V180 HydrophobicContact CG2-CG2 4.29Å
176	D	89.7	Confident	93.9	Very high	153 Å²	153	69.5 Å²	69.5	82%	0.818	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	39.5	-178.3	-55.5	-29.4	0	0	0	113.7	K178	D176-K178 PolarHBondContact O-N 3.05Å
177	G	91.5	Very high	93.5	Very high	71 Å²	71	73.5 Å²	73.5	73%	0.732	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-5.9	-176.7	0	0	0	0	0	115.2	I175	I175-G177 PolarHBondContact O-N 3.28Å; I175-G177 VanDerWaalsContact O-N 3.13Å
178	K	92.6	Very high	92.9	Very high	141 Å²	141	77 Å²	77	61%	0.613	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.5	173.8	-62.8	-178.7	-178	176.2	0	110.3	V174 I175 D176	V174-K178 CarbonylContact C-O 3.48Å; V174-K178 WeakPolarHBondContact CA-O 3.29Å; I175-K178 PolarHBondContact N-O 3.01Å; I175-K178 WeakPolarHBondContact O-CA 3.25Å; I175-K178 WeakPolarHBondContact O-CB 3.47Å; I175-K178 PolarHBondContact O-N 2.84Å; D176-K178 PolarHBondContact O-N 3.05Å
179	T	97.3	Very high	92.4	Very high	77 Å²	77	77.1 Å²	77.1	47%	0.472	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.1	170.7	-59.5	0	0	0	0	108.7	T172 I173 R181	T172-T179 HydrophobicContact CG2-CG2 3.41Å; T172-T179 VanDerWaalsContact CG2-CG2 3.41Å; I173-T179 WeakPolarHBondContact O-CA 3.48Å; T179-R181 HydrophobicContact CG2-CG 4.27Å
180	V	97.4	Very high	92.1	Very high	4 Å²	4	73.4 Å²	73.4	2%	0.024	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.2	173.3	-176.8	0	0	0	0	108	L156 V158 L167 T172 I173 I175 D184 V185	L156-V180 HydrophobicContact CB-CG2 4.28Å; L156-V180 HydrophobicContact CD1-CG1 4Å; V158-V180 HydrophobicContact CG2-CB 4.25Å; V158-V180 HydrophobicContact CG2-CG1 4.03Å; V158-V180 HydrophobicContact CG2-CG2 4.03Å; L167-V180 HydrophobicContact CD1-CG1 3.96Å; L167-V180 HydrophobicContact CD2-CG1 4.11Å; L167-V180 WeakPolarHBondContact CD2-O 3.43Å; T172-V180 WeakPolarHBondContact CG2-O 3.17Å; I173-V180 HydrophobicContact CG1-CB 4.06Å; I173-V180 PolarHBondContact N-O 2.68Å; I173-V180 PolarHBondContact O-N 2.78Å; I175-V180 HydrophobicContact CG2-CG2 4.29Å; V180-D184 HydrophobicContact CG1-CB 4.38Å; V180-V185 HydrophobicContact CG1-CG1 4.06Å
181	R	97	Very high	92.1	Very high	125 Å²	125	72.2 Å²	72.2	47%	0.472	38%	0.378	S	S	.	.			trans	-101.6	153.4	-178	-52.6	178.7	167.9	-102.1	-2.6	110.1	T172 T179 E183 D184	T172-R181 HydrophobicContact CG2-CG 3.99Å; T179-R181 HydrophobicContact CG2-CG 4.27Å; R181-E183 HydrophobicContact CB-CG 3.93Å; R181-E183 WeakPolarHBondContact CB-OE1 3.35Å; R181-E183 VanDerWaalsContact CB-OE2 3.27Å; R181-E183 WeakPolarHBondContact CB-OE2 3.46Å; R181-E183 WeakPolarHBondContact CD-OE1 3.43Å; R181-E183 IonicContact NH1-OE1 3.73Å; R181-E183 PolarHBondContact O-N 3.21Å; R181-D184 WeakPolarHBondContact CB-OD2 3.18Å; R181-D184 PolarHBondContact N-OD2 2.78Å; R181-D184 WeakPolarHBondContact O-CB 3.48Å; R181-D184 PolarHBondContact O-N 3.29Å
182	P	94.3	Very high	91.9	Very high	10 Å²	10	68.8 Å²	68.8	7%	0.065	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-52.3	-41.4	176.5	-25.6	33.1	0	0	0	112.8	L167 G170 D184 V185 L186	L167-P182 HydrophobicContact CD2-CG 4.39Å; G170-P182 WeakPolarHBondContact O-CG 3.26Å; P182-D184 PolarHBondContact O-N 3.18Å; P182-V185 WeakPolarHBondContact O-CG2 3.16Å; P182-V185 PolarHBondContact O-N 2.85Å; P182-L186 HydrophobicContact CB-CD1 3.62Å; P182-L186 HydrophobicContact CB-CG 4.15Å; P182-L186 VanDerWaalsContact O-CB 3.25Å; P182-L186 WeakPolarHBondContact O-CB 3.49Å; P182-L186 VanDerWaalsContact O-CG 3.25Å; P182-L186 WeakPolarHBondContact O-CG 3.01Å; P182-L186 PolarHBondContact O-N 3.46Å
183	E	94.3	Very high	91.7	Very high	124 Å²	124	68 Å²	68	58%	0.579	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-61.1	-22.6	177.8	57.8	-92.6	-144.4	0	0	114.4	R181 V185	R181-E183 HydrophobicContact CB-CG 3.93Å; R181-E183 WeakPolarHBondContact CB-OE1 3.35Å; R181-E183 VanDerWaalsContact CB-OE2 3.27Å; R181-E183 WeakPolarHBondContact CB-OE2 3.46Å; R181-E183 WeakPolarHBondContact CD-OE1 3.43Å; R181-E183 IonicContact NH1-OE1 3.73Å; R181-E183 PolarHBondContact O-N 3.21Å; E183-V185 VanDerWaalsContact C-N 3.25Å; E183-V185 PolarHBondContact O-N 3.23Å
184	D	94.8	Very high	91.6	Very high	77 Å²	77	67.4 Å²	67.4	41%	0.412	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-74.2	-20	176.7	-58.1	-41	0	0	0	112	T152 L156 V180 R181 P182	T152-D184 VanDerWaalsContact CG2-O 3.3Å; T152-D184 WeakPolarHBondContact CG2-O 3.38Å; L156-D184 HydrophobicContact CD1-CB 3.81Å; V180-D184 HydrophobicContact CG1-CB 4.38Å; R181-D184 WeakPolarHBondContact CB-OD2 3.18Å; R181-D184 PolarHBondContact N-OD2 2.78Å; R181-D184 WeakPolarHBondContact O-CB 3.48Å; R181-D184 PolarHBondContact O-N 3.29Å; P182-D184 PolarHBondContact O-N 3.18Å
185	V	94.5	Very high	91.7	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.024	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-20.7	-169.2	-62.3	0	0	0	0	114.6	L148 C149 T152 A153 L156 L167 V180 P182 E183	L148-V185 HydrophobicContact CD1-CB 3.73Å; L148-V185 HydrophobicContact CD1-CG2 3.39Å; C149-V185 WeakPolarHBondContact CA-O 3.48Å; C149-V185 VanDerWaalsContact CB-O 3.23Å; C149-V185 WeakPolarHBondContact CB-O 3.27Å; C149-V185 PolarHBondContact N-O 2.87Å; T152-V185 HydrophobicContact CG2-CG1 4.41Å; A153-V185 HydrophobicContact CB-CB 4.24Å; A153-V185 HydrophobicContact CB-CG1 3.84Å; L156-V185 HydrophobicContact CD1-CG1 3.73Å; L167-V185 HydrophobicContact CB-CG2 4.01Å; L167-V185 HydrophobicContact CD1-CG2 3.93Å; L167-V185 HydrophobicContact CD2-CG2 4.26Å; L167-V185 HydrophobicContact CG-CG2 4.3Å; V180-V185 HydrophobicContact CG1-CG1 4.06Å; P182-V185 WeakPolarHBondContact O-CG2 3.16Å; P182-V185 PolarHBondContact O-N 2.85Å; E183-V185 VanDerWaalsContact C-N 3.25Å; E183-V185 PolarHBondContact O-N 3.23Å
186	L	92.1	Very high	92	Very high	31 Å²	31	62.6 Å²	62.6	16%	0.162	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-86.8	131.1	179.9	-64.9	-176.7	0	0	0	109.7	P146 L148 P182	P146-L186 HydrophobicContact CB-CB 4.05Å; P146-L186 HydrophobicContact CB-CD1 3.97Å; P146-L186 HydrophobicContact CB-CD2 4.49Å; P146-L186 HydrophobicContact CB-CG 4.4Å; L148-L186 HydrophobicContact CB-CD2 4.03Å; L148-L186 HydrophobicContact CD1-CD2 3.83Å; P182-L186 HydrophobicContact CB-CD1 3.62Å; P182-L186 HydrophobicContact CB-CG 4.15Å; P182-L186 VanDerWaalsContact O-CB 3.25Å; P182-L186 WeakPolarHBondContact O-CB 3.49Å; P182-L186 VanDerWaalsContact O-CG 3.25Å; P182-L186 WeakPolarHBondContact O-CG 3.01Å; P182-L186 PolarHBondContact O-N 3.46Å
187	K	87	Confident	92.4	Very high	116 Å²	116	58.6 Å²	58.6	50%	0.504	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-64.9	147.6	164.9	-60.9	-169.8	-173	175.3	0	108.7	P146 S147	P146-K187 WeakPolarHBondContact CB-O 3.44Å; S147-K187 PolarHBondContact O-N 3.38Å; S147-K187 WeakPolarHBondContact OG-CD 3.35Å
188	P	80	Confident	92.7	Very high	73 Å²	73	55.4 Å²	55.4	47%	0.474	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-50.9	146.9	174.3	-29.6	38.4	0	0	0	111.8	L190 Q341	P188-L190 PolarHBondContact O-N 3Å; P188-Q341 HydrophobicContact CB-CG 4.47Å
189	R	81.3	Confident	92.7	Very high	134 Å²	134	50.2 Å²	50.2	51%	0.506	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-58.4	129.1	174.6	-166	-179.7	-176.7	164.6	-3.1	108.5	D143 Q144 P146	D143-R189 IonicContact OD2-NE 2.93Å; Q144-R189 WeakPolarHBondContact O-CG 3.39Å; P146-R189 HydrophobicContact CG-CB 4.15Å; P146-R189 HydrophobicContact CG-CG 4.44Å
190	L	83	Confident	92.6	Very high	75 Å²	75	49.1 Å²	49.1	39%	0.393	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-91.9	121.1	172.5	-67	178.9	0	0	0	108.4	Q144 P188	Q144-L190 HydrophobicContact CB-CB 4.48Å; Q144-L190 PolarHBondContact N-O 2.88Å; P188-L190 PolarHBondContact O-N 3Å
191	R	89.5	Confident	92.6	Very high	20 Å²	20	48.9 Å²	48.9	8%	0.075	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-60.7	142.3	171	-172.2	-179.3	77.5	65.4	-13.2	109.5	D143 R194 D226 V339	D143-R191 WeakPolarHBondContact OD1-CA 3.36Å; D143-R191 WeakPolarHBondContact OD1-CG 3.2Å; R191-R194 VanDerWaalsContact CD-CZ 3.48Å; R191-R194 VanDerWaalsContact CD-NH2 3.29Å; R191-R194 VanDerWaalsContact CG-NH2 3.27Å; R191-D226 IonicContact CZ-OD1 3.86Å; R191-D226 IonicContact CZ-OD2 3.94Å; R191-D226 IonicContact NH1-OD1 3.09Å; R191-D226 IonicContact NH1-OD2 3.11Å; R191-D226 PolarHBondContact NH1-OD2 3.07Å; R191-D226 IonicContact NH2-OD1 3.94Å; R191-D226 PolarHBondContact NH2-OD1 3.43Å; R191-D226 IonicContact NH2-OD2 3.31Å; R191-D226 PolarHBondContact NH2-OD2 3.45Å; R191-V339 HydrophobicContact CB-CG1 3.79Å; R191-V339 HydrophobicContact CG-CG1 4.45Å; R191-V339 VanDerWaalsContact O-CG1 3.31Å; R191-V339 WeakPolarHBondContact O-CG1 3.31Å; R191-V339 WeakPolarHBondContact O-CG2 3.27Å
192	G	90.5	Very high	92.6	Very high	5 Å²	5	46.6 Å²	46.6	5%	0.052	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-77	151.5	174.4	0	0	0	0	0	111	K141 D143	K141-G192 CarbonylContact O-C 3.58Å; K141-G192 VanDerWaalsContact O-CA 3.26Å; K141-G192 WeakPolarHBondContact O-CA 3.35Å; D143-G192 PolarHBondContact OD1-N 2.76Å
193	H	93.5	Very high	92.8	Very high	53 Å²	53	48.9 Å²	48.9	25%	0.245	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.6	145.5	178.3	-71.5	-90	0	0	0	111.5	K141 D226 I336 P337 V339	K141-H193 HydrophobicContact CG-CB 4.21Å; K141-H193 PolarHBondContact N-O 2.79Å; H193-D226 WeakPolarHBondContact CA-OD2 3.5Å; H193-I336 WeakPolarHBondContact ND1-CG2 3.08Å; H193-P337 PolarHBondContact CE1-O 3.45Å; H193-P337 PolarHBondContact ND1-O 3.07Å; H193-V339 HydrophobicContact CB-CG2 4.24Å; H193-V339 WeakPolarHBondContact CE1-CG2 3.35Å; H193-V339 VanDerWaalsContact CG-CG2 3.41Å; H193-V339 VanDerWaalsContact ND1-CG2 3.29Å; H193-V339 WeakPolarHBondContact ND1-CG2 3.26Å
194	R	96	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.2	175.2	-57.9	176.9	-160.5	139.2	-7.5	109.2	I139 I140 D143 R191 T221 S222 T224 L225 D226 T227	I139-R194 WeakPolarHBondContact O-CA 3.39Å; I140-R194 HydrophobicContact CG1-CG 4.32Å; I140-R194 HydrophobicContact CG2-CG 4.5Å; D143-R194 IonicContact OD1-NH2 3.57Å; R191-R194 VanDerWaalsContact CD-CZ 3.48Å; R191-R194 VanDerWaalsContact CD-NH2 3.29Å; R191-R194 VanDerWaalsContact CG-NH2 3.27Å; R194-T221 PolarHBondContact NH2-OG1 2.91Å; R194-T221 VanDerWaalsContact NH2-OG1 3.16Å; R194-S222 PolarHBondContact NH1-O 3.28Å; R194-T224 PolarHBondContact NH1-O 3.37Å; R194-L225 HydrophobicContact CB-CD1 3.79Å; R194-L225 WeakPolarHBondContact O-CD1 3.24Å; R194-D226 PolarHBondContact N-OD2 3.13Å; R194-D226 WeakPolarHBondContact O-CB 3.37Å; R194-D226 PolarHBondContact O-N 3.41Å; R194-T227 PolarHBondContact O-N 2.94Å
195	I	97.8	Very high	93	Very high	21 Å²	21	42.3 Å²	42.3	11%	0.108	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.2	-173.7	-57.9	163.1	0	0	0	107.6	L138 I139 I197 T227 I336	L138-I195 CarbonylContact C-O 3.57Å; L138-I195 WeakPolarHBondContact CA-O 3.14Å; I139-I195 HydrophobicContact CB-CB 4.38Å; I139-I195 PolarHBondContact N-O 3.22Å; I139-I195 PolarHBondContact O-N 2.92Å; I195-I197 HydrophobicContact CG2-CG1 4.45Å; I195-T227 CarbonylContact C-O 3.52Å; I195-T227 VanDerWaalsContact CA-O 3.32Å; I195-T227 WeakPolarHBondContact CA-O 3.47Å; I195-T227 HydrophobicContact CG2-CG2 4.43Å; I195-I336 HydrophobicContact CD1-CD1 3.34Å; I195-I336 HydrophobicContact CD1-CG1 3.76Å; I195-I336 HydrophobicContact CD1-CG2 4.15Å; I195-I336 HydrophobicContact CG1-CG2 4.41Å
196	A	98.6	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.3	174.8	0	0	0	0	0	110.4	W137 L138 M198 L207 L225 T227 L228 V229	W137-A196 CarbonylContact O-C 3.57Å; W137-A196 VanDerWaalsContact O-CA 3.24Å; W137-A196 WeakPolarHBondContact O-CA 3.42Å; L138-A196 HydrophobicContact CD1-CB 4.18Å; A196-M198 HydrophobicContact CB-CE 3.73Å; A196-L207 HydrophobicContact CB-CD1 3.75Å; A196-L207 HydrophobicContact CB-CD2 3.62Å; A196-L207 HydrophobicContact CB-CG 4.35Å; A196-L225 HydrophobicContact CB-CD1 4.04Å; A196-L225 HydrophobicContact CB-CD2 3.59Å; A196-L225 HydrophobicContact CB-CG 4.42Å; A196-T227 PolarHBondContact N-O 3.31Å; A196-L228 HydrophobicContact CB-CD1 3.89Å; A196-V229 PolarHBondContact O-N 3.29Å
197	I	97.7	Very high	93.5	Very high	69 Å²	69	43 Å²	43	35%	0.354	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	105.7	178.2	-55.5	173.2	0	0	0	107.9	W137 I139 I195 V229	W137-I197 PolarHBondContact N-O 2.86Å; W137-I197 PolarHBondContact O-N 2.92Å; I139-I197 HydrophobicContact CD1-CD1 4.36Å; I195-I197 HydrophobicContact CG2-CG1 4.45Å; I197-V229 HydrophobicContact CG1-CB 4.42Å; I197-V229 HydrophobicContact CG1-CG2 4.34Å; I197-V229 HydrophobicContact CG2-CB 4.34Å
198	M	97.6	Very high	94.1	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.025	20%	0.202	C	C	.	.			trans	-96.5	125.6	175.8	-54.4	-57.8	100.7	0	0	108.8	M126 I128 W137 A196 T201 L207 L228 V229 H230	M126-M198 HydrophobicContact CE-CE 3.75Å; M126-M198 HydrophobicContact SD-CE 4.46Å; I128-M198 HydrophobicContact CG2-SD 4.15Å; W137-M198 WeakPolarHBondContact O-CE 3.07Å; A196-M198 HydrophobicContact CB-CE 3.73Å; M198-T201 HydrophobicContact CB-CG2 4.42Å; M198-L207 HydrophobicContact CE-CD1 4.27Å; M198-L207 HydrophobicContact CE-CD2 4.08Å; M198-L207 HydrophobicContact CG-CD2 4.48Å; M198-L207 HydrophobicContact SD-CB 4.28Å; M198-L207 HydrophobicContact SD-CD2 4.13Å; M198-L228 HydrophobicContact CG-CD1 4.02Å; M198-V229 PolarHBondContact N-O 3.49Å; M198-H230 VanDerWaalsContact CG-CD2 3.46Å; M198-H230 WeakPolarHBondContact CG-CD2 3.4Å
199	G	92.1	Very high	94.9	Very high	31 Å²	31	38.5 Å²	38.5	32%	0.32	19%	0.192	S	C	.	.			trans	-78	-159.2	167.8	0	0	0	0	0	111.3	T201	G199-T201 VanDerWaalsContact O-CG2 3.31Å; G199-T201 WeakPolarHBondContact O-CG2 3.2Å; G199-T201 PolarHBondContact O-N 2.87Å
200	D	95.5	Very high	95.8	Very high	54 Å²	54	32.1 Å²	32.1	29%	0.289	17%	0.168	S	C	.	.	S	Bend	trans	-57.4	125.6	179.2	-55.1	4.4	0	0	0	110.9	H130 E231 H247 H269	H130-D200 VanDerWaalsContact CB-O 3.31Å; H130-D200 WeakPolarHBondContact CB-O 3.28Å; D200-E231 WeakPolarHBondContact CA-OE1 3.44Å; D200-H247 IonicContact OD2-CE1 2.69Å; D200-H269 IonicContact OD1-CD2 2.79Å; D200-H269 PolarHBondContact OD1-CD2 2.78Å; D200-H269 IonicContact OD1-CE1 2.89Å; D200-H269 IonicContact OD1-CG 3.57Å; D200-H269 IonicContact OD1-ND1 3.9Å; D200-H269 IonicContact OD1-NE2 3.29Å; D200-H269 PolarHBondContact OD1-NE2 3.17Å; D200-H269 IonicContact OD2-CE1 3.97Å; D200-H269 IonicContact OD2-NE2 3.93Å
201	T	98	Very high	96.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.			trans	-168.6	147.2	-174	-174.9	0	0	0	0	112.8	I128 K129 M198 G199 D203 S204 H230 E231 G246 H247 S248	I128-T201 HydrophobicContact CD1-CG2 4.31Å; K129-T201 PolarHBondContact N-OG1 2.76Å; K129-T201 CarbonylContact O-C 3.58Å; K129-T201 WeakPolarHBondContact O-CA 3.37Å; K129-T201 PolarHBondContact O-OG1 2.82Å; K129-T201 VanDerWaalsContact O-OG1 3.07Å; M198-T201 HydrophobicContact CB-CG2 4.42Å; G199-T201 VanDerWaalsContact O-CG2 3.31Å; G199-T201 WeakPolarHBondContact O-CG2 3.2Å; G199-T201 PolarHBondContact O-N 2.87Å; T201-D203 VanDerWaalsContact OG1-C 3.3Å; T201-D203 PolarHBondContact OG1-N 3.17Å; T201-D203 VanDerWaalsContact OG1-N 3.13Å; T201-D203 PolarHBondContact OG1-O 3.27Å; T201-S204 WeakPolarHBondContact CG2-OG 3.42Å; T201-H230 VanDerWaalsContact CG2-CE1 3.5Å; T201-H230 WeakPolarHBondContact CG2-CE1 3.36Å; T201-E231 HydrophobicContact CG2-CG 4.3Å; T201-E231 PolarHBondContact N-OE1 2.63Å; T201-G246 CarbonylContact C-O 3.38Å; T201-G246 WeakPolarHBondContact CA-O 3.38Å; T201-H247 CarbonylContact O-C 3.22Å; T201-S248 WeakPolarHBondContact O-CB 3.25Å; T201-S248 PolarHBondContact O-N 2.89Å; T201-S248 VanDerWaalsContact O-N 3.1Å; T201-S248 PolarHBondContact O-OG 2.94Å
202	Y	97.5	Very high	96.9	Very high	77 Å²	77	32 Å²	32	30%	0.302	17%	0.166	S	C	.	.	S	Bend	trans	-104.6	-11.2	167.3	65.5	-90.4	0	0	0	113	K129 L243 G246 H247	K129-Y202 VanDerWaalsContact C-CE1 3.49Å; K129-Y202 HydrophobicContact CB-CD1 4.08Å; K129-Y202 HydrophobicContact CB-CD2 4.38Å; K129-Y202 HydrophobicContact CB-CE1 3.58Å; K129-Y202 HydrophobicContact CB-CE2 3.89Å; K129-Y202 HydrophobicContact CB-CG 4.49Å; K129-Y202 VanDerWaalsContact CB-CZ 3.48Å; K129-Y202 WeakPolarHBondContact O-CD1 3.33Å; K129-Y202 WeakPolarHBondContact O-CE1 3.38Å; K129-Y202 PolarHBondContact O-N 3.44Å; Y202-L243 HydrophobicContact CD2-CD1 3.37Å; Y202-L243 HydrophobicContact CE2-CD1 4Å; Y202-L243 HydrophobicContact CG-CD1 3.77Å; Y202-G246 PolarHBondContact N-O 3.23Å; Y202-G246 VanDerWaalsContact N-O 3.17Å; Y202-H247 WeakPolarHBondContact CB-O 3.36Å
203	D	97.5	Very high	97.3	Very high	58 Å²	58	34 Å²	34	31%	0.31	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-147.6	115.9	178.9	179.2	2.3	0	0	0	110.8	K129 T201 S205	K129-D203 HydrophobicContact CB-CB 3.94Å; K129-D203 HydrophobicContact CG-CB 3.97Å; K129-D203 PolarHBondContact N-O 3.02Å; T201-D203 VanDerWaalsContact OG1-C 3.3Å; T201-D203 PolarHBondContact OG1-N 3.17Å; T201-D203 VanDerWaalsContact OG1-N 3.13Å; T201-D203 PolarHBondContact OG1-O 3.27Å; D203-S205 WeakPolarHBondContact OD1-CB 3.27Å; D203-S205 PolarHBondContact OD1-N 3.34Å; D203-S205 PolarHBondContact OD1-OG 2.63Å; D203-S205 PolarHBondContact OD2-OG 2.95Å
204	S	96.7	Very high	97.5	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.042	17%	0.166	C	C	.	.			trans	-114.3	22.7	-179.6	-63.2	0	0	0	0	112.6	T201 E206 L207 H230	T201-S204 WeakPolarHBondContact CG2-OG 3.42Å; S204-E206 PolarHBondContact O-N 3.32Å; S204-E206 VanDerWaalsContact O-N 3.15Å; S204-L207 WeakPolarHBondContact O-CB 3.47Å; S204-L207 PolarHBondContact O-N 3.31Å; S204-H230 WeakPolarHBondContact CB-NE2 3.34Å; S204-H230 PolarHBondContact OG-NE2 2.97Å
205	S	97.3	Very high	97.5	Very high	56 Å²	56	35 Å²	35	39%	0.392	18%	0.182	S	C	.	.	H	α-helix	trans	-56.7	-27.5	178.1	54.1	0	0	0	0	113.5	D203 L207 L208 R209	D203-S205 WeakPolarHBondContact OD1-CB 3.27Å; D203-S205 PolarHBondContact OD1-N 3.34Å; D203-S205 PolarHBondContact OD1-OG 2.63Å; D203-S205 PolarHBondContact OD2-OG 2.95Å; S205-L207 PolarHBondContact O-N 3.18Å; S205-L208 WeakPolarHBondContact O-CB 3.38Å; S205-L208 PolarHBondContact O-N 2.82Å; S205-L208 VanDerWaalsContact O-N 3.09Å; S205-R209 PolarHBondContact O-N 3.14Å; S205-R209 VanDerWaalsContact O-N 3.11Å
206	E	98.1	Very high	97.5	Very high	50 Å²	50	39.4 Å²	39.4	23%	0.234	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-28.2	175.6	-72.4	-62.9	113.8	0	0	113.4	F109 M126 S204 R209 L210	F109-E206 HydrophobicContact CE1-CB 4.3Å; F109-E206 WeakPolarHBondContact CE1-O 3.27Å; F109-E206 WeakPolarHBondContact CE1-OE2 3.38Å; F109-E206 WeakPolarHBondContact CZ-O 3.28Å; M126-E206 HydrophobicContact CB-CB 4.32Å; M126-E206 HydrophobicContact CG-CB 4.24Å; S204-E206 PolarHBondContact O-N 3.32Å; S204-E206 VanDerWaalsContact O-N 3.15Å; E206-R209 PolarHBondContact O-N 3.4Å; E206-R209 IonicContact OE1-CZ 2.79Å; E206-R209 IonicContact OE1-NE 2.66Å; E206-R209 PolarHBondContact OE1-NE 3.44Å; E206-R209 VanDerWaalsContact OE1-NE 3.09Å; E206-R209 IonicContact OE1-NH2 2.96Å; E206-R209 IonicContact OE2-CZ 3.7Å; E206-R209 VanDerWaalsContact OE2-CZ 3.31Å; E206-R209 IonicContact OE2-NE 3.99Å; E206-R209 PolarHBondContact OE2-NE 3.38Å; E206-R209 VanDerWaalsContact OE2-NE 3.11Å; E206-R209 IonicContact OE2-NH2 3.67Å; E206-R209 PolarHBondContact OE2-NH2 2.89Å; E206-L210 WeakPolarHBondContact O-CB 3.35Å; E206-L210 PolarHBondContact O-N 2.64Å
207	L	98.8	Very high	97.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-44.3	172.4	176.7	61.5	0	0	0	111.5	M126 L138 A196 M198 S204 S205 R209 L210 M211 L225 L228 L256 L260	M126-L207 HydrophobicContact CE-CD1 4.1Å; M126-L207 VanDerWaalsContact SD-CA 3.52Å; M126-L207 HydrophobicContact SD-CB 3.84Å; M126-L207 HydrophobicContact SD-CD1 3.89Å; M126-L207 HydrophobicContact SD-CG 4.48Å; L138-L207 HydrophobicContact CB-CD1 4.47Å; L138-L207 HydrophobicContact CD1-CD1 4.38Å; L138-L207 HydrophobicContact CD2-CD1 4.48Å; A196-L207 HydrophobicContact CB-CD1 3.75Å; A196-L207 HydrophobicContact CB-CD2 3.62Å; A196-L207 HydrophobicContact CB-CG 4.35Å; M198-L207 HydrophobicContact CE-CD1 4.27Å; M198-L207 HydrophobicContact CE-CD2 4.08Å; M198-L207 HydrophobicContact CG-CD2 4.48Å; M198-L207 HydrophobicContact SD-CB 4.28Å; M198-L207 HydrophobicContact SD-CD2 4.13Å; S204-L207 WeakPolarHBondContact O-CB 3.47Å; S204-L207 PolarHBondContact O-N 3.31Å; S205-L207 PolarHBondContact O-N 3.18Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.97Å; L207-L210 PolarHBondContact O-N 2.82Å; L207-M211 HydrophobicContact CD1-CG 4.27Å; L207-M211 VanDerWaalsContact O-CG 3.27Å; L207-M211 WeakPolarHBondContact O-CG 3.21Å; L207-M211 PolarHBondContact O-N 2.99Å; L207-L225 HydrophobicContact CD2-CD2 4.18Å; L207-L228 HydrophobicContact CD2-CD1 3.81Å; L207-L256 HydrophobicContact CD2-CD2 4.38Å; L207-L260 HydrophobicContact CD2-CD1 3.71Å; L207-L260 HydrophobicContact CG-CD1 3.8Å
208	L	98.7	Very high	97	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.12	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-44.3	176.4	177.9	61.6	0	0	0	110.7	S205 M211 Q212 L256 Q259 L260	S205-L208 WeakPolarHBondContact O-CB 3.38Å; S205-L208 PolarHBondContact O-N 2.82Å; S205-L208 VanDerWaalsContact O-N 3.09Å; L208-M211 PolarHBondContact O-N 2.88Å; L208-Q212 HydrophobicContact CD1-CG 4.42Å; L208-Q212 VanDerWaalsContact O-CG 3.28Å; L208-Q212 WeakPolarHBondContact O-CG 3.35Å; L208-Q212 PolarHBondContact O-N 2.75Å; L208-L256 HydrophobicContact CB-CD1 3.97Å; L208-Q259 HydrophobicContact CD1-CB 4.31Å; L208-Q259 HydrophobicContact CD2-CB 4.18Å; L208-L260 HydrophobicContact CD1-CD2 3.61Å; L208-L260 HydrophobicContact CD1-CG 4.05Å
209	R	98.5	Very high	96.7	Very high	72 Å²	72	50.9 Å²	50.9	27%	0.272	28%	0.277	S	S	.	.	H	α-helix	trans	-62.5	-44.4	177.6	-171.4	177.3	73.8	87.5	0.9	111.7	D107 F109 S205 E206 L207 M211 Q212 V213	D107-R209 VanDerWaalsContact O-CZ 3.3Å; D107-R209 PolarHBondContact O-NH1 3.05Å; D107-R209 VanDerWaalsContact O-NH1 3.13Å; D107-R209 PolarHBondContact O-NH2 3.28Å; F109-R209 HydrophobicContact CE2-CG 4.29Å; F109-R209 VanDerWaalsContact CE2-NH1 3.29Å; F109-R209 HydrophobicContact CZ-CB 4.04Å; F109-R209 HydrophobicContact CZ-CG 4.06Å; S205-R209 PolarHBondContact O-N 3.14Å; S205-R209 VanDerWaalsContact O-N 3.11Å; E206-R209 PolarHBondContact O-N 3.4Å; E206-R209 IonicContact OE1-CZ 2.79Å; E206-R209 IonicContact OE1-NE 2.66Å; E206-R209 PolarHBondContact OE1-NE 3.44Å; E206-R209 VanDerWaalsContact OE1-NE 3.09Å; E206-R209 IonicContact OE1-NH2 2.96Å; E206-R209 IonicContact OE2-CZ 3.7Å; E206-R209 VanDerWaalsContact OE2-CZ 3.31Å; E206-R209 IonicContact OE2-NE 3.99Å; E206-R209 PolarHBondContact OE2-NE 3.38Å; E206-R209 VanDerWaalsContact OE2-NE 3.11Å; E206-R209 IonicContact OE2-NH2 3.67Å; E206-R209 PolarHBondContact OE2-NH2 2.89Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.97Å; R209-M211 PolarHBondContact O-N 3.18Å; R209-Q212 PolarHBondContact O-N 3.27Å; R209-V213 WeakPolarHBondContact O-CG2 3.06Å; R209-V213 PolarHBondContact O-N 3.2Å
210	L	98.7	Very high	96.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-47.4	177.2	178.6	55.1	0	0	0	111.4	F109 Y111 H124 M126 L138 E206 L207 Q212 V213 L214	F109-L210 HydrophobicContact CB-CD1 4.21Å; F109-L210 HydrophobicContact CD1-CB 4.18Å; F109-L210 HydrophobicContact CD1-CD1 4.15Å; F109-L210 HydrophobicContact CD1-CD2 4.42Å; F109-L210 HydrophobicContact CD1-CG 4.48Å; F109-L210 HydrophobicContact CD2-CD1 3.85Å; F109-L210 HydrophobicContact CE1-CB 3.7Å; F109-L210 HydrophobicContact CE1-CD1 4.46Å; F109-L210 HydrophobicContact CE1-CG 4.47Å; F109-L210 HydrophobicContact CE2-CB 4.05Å; F109-L210 HydrophobicContact CE2-CD1 4.12Å; F109-L210 HydrophobicContact CG-CD1 3.82Å; F109-L210 HydrophobicContact CZ-CB 3.59Å; F109-L210 HydrophobicContact CZ-CD1 4.42Å; F109-L210 VanDerWaalsContact CZ-N 3.34Å; Y111-L210 HydrophobicContact CD1-CD1 4.47Å; Y111-L210 HydrophobicContact CE1-CD1 3.64Å; H124-L210 HydrophobicContact CB-CD2 3.93Å; M126-L210 HydrophobicContact CE-CD2 4.05Å; M126-L210 HydrophobicContact SD-CD2 3.91Å; L138-L210 HydrophobicContact CB-CD2 4.18Å; L138-L210 HydrophobicContact CD2-CD2 3.67Å; L138-L210 HydrophobicContact CD2-CG 3.91Å; E206-L210 WeakPolarHBondContact O-CB 3.35Å; E206-L210 PolarHBondContact O-N 2.64Å; L207-L210 PolarHBondContact O-N 2.82Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 2.92Å; L210-V213 PolarHBondContact O-N 2.75Å; L210-L214 HydrophobicContact CD1-CD1 3.95Å; L210-L214 HydrophobicContact CD1-CG 4.01Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 HydrophobicContact CG-CG 4.45Å; L210-L214 WeakPolarHBondContact O-CB 3.49Å; L210-L214 VanDerWaalsContact O-CG 3.27Å; L210-L214 WeakPolarHBondContact O-CG 3.23Å; L210-L214 PolarHBondContact O-N 3.4Å
211	M	98.4	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-40.3	177.5	-68.3	-68.4	-74	0	0	111.8	L138 L207 L208 R209 H215 I220 I223 L225 L260	L138-M211 HydrophobicContact CD1-SD 3.84Å; L138-M211 HydrophobicContact CD2-CG 4.37Å; L138-M211 HydrophobicContact CD2-SD 3.51Å; L138-M211 VanDerWaalsContact CD2-SD 3.51Å; L138-M211 HydrophobicContact CG-SD 4.33Å; L207-M211 HydrophobicContact CD1-CG 4.27Å; L207-M211 VanDerWaalsContact O-CG 3.27Å; L207-M211 WeakPolarHBondContact O-CG 3.21Å; L207-M211 PolarHBondContact O-N 2.99Å; L208-M211 PolarHBondContact O-N 2.88Å; R209-M211 PolarHBondContact O-N 3.18Å; M211-H215 VanDerWaalsContact O-CB 3.27Å; M211-H215 WeakPolarHBondContact O-CB 3.4Å; M211-H215 PolarHBondContact O-N 2.69Å; M211-I220 HydrophobicContact CE-CD1 3.78Å; M211-I220 WeakPolarHBondContact O-CD1 3.45Å; M211-I220 HydrophobicContact SD-CD1 3.97Å; M211-I223 HydrophobicContact CB-CB 4.42Å; M211-I223 HydrophobicContact CB-CG2 4.44Å; M211-I223 WeakPolarHBondContact CE-O 3.36Å; M211-L225 HydrophobicContact CE-CD1 4.3Å; M211-L260 HydrophobicContact CB-CD2 3.86Å; M211-L260 HydrophobicContact CG-CD2 3.84Å
212	Q	98.3	Very high	96.2	Very high	92 Å²	92	52.1 Å²	52.1	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-66.2	-41.4	175.9	-73.1	170.5	-15.1	0	0	112.8	L208 R209 L210 H215 T216	L208-Q212 HydrophobicContact CD1-CG 4.42Å; L208-Q212 VanDerWaalsContact O-CG 3.28Å; L208-Q212 WeakPolarHBondContact O-CG 3.35Å; L208-Q212 PolarHBondContact O-N 2.75Å; R209-Q212 PolarHBondContact O-N 3.27Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 2.92Å; Q212-H215 PolarHBondContact O-N 2.97Å; Q212-T216 WeakPolarHBondContact O-CB 3.33Å; Q212-T216 PolarHBondContact O-N 3.45Å; Q212-T216 PolarHBondContact O-OG1 3.26Å
213	V	98.5	Very high	96.1	Very high	47 Å²	47	50.2 Å²	50.2	29%	0.285	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-48.7	176.7	170.6	0	0	0	0	110.4	F109 Y111 R209 L210 H215 T216 A217	F109-V213 HydrophobicContact CE2-CG2 4.31Å; Y111-V213 VanDerWaalsContact OH-CG1 3.29Å; Y111-V213 WeakPolarHBondContact OH-CG1 3.23Å; R209-V213 WeakPolarHBondContact O-CG2 3.06Å; R209-V213 PolarHBondContact O-N 3.2Å; L210-V213 PolarHBondContact O-N 2.75Å; V213-H215 VanDerWaalsContact C-N 3.28Å; V213-H215 PolarHBondContact O-N 3.41Å; V213-T216 PolarHBondContact O-N 2.68Å; V213-A217 VanDerWaalsContact O-CB 3.3Å; V213-A217 WeakPolarHBondContact O-CB 3.48Å; V213-A217 PolarHBondContact O-N 3.08Å
214	L	96.9	Very high	96	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-38.2	177.3	-68.4	171.9	0	0	0	111.9	Y111 L138 I140 L210 N218 Q219 I220	Y111-L214 HydrophobicContact CD1-CD2 4Å; Y111-L214 HydrophobicContact CE1-CD2 3.7Å; Y111-L214 HydrophobicContact CE1-CG 4.36Å; L138-L214 HydrophobicContact CD2-CD1 3.74Å; I140-L214 HydrophobicContact CD1-CD1 3.54Å; L210-L214 HydrophobicContact CD1-CD1 3.95Å; L210-L214 HydrophobicContact CD1-CG 4.01Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 HydrophobicContact CG-CG 4.45Å; L210-L214 WeakPolarHBondContact O-CB 3.49Å; L210-L214 VanDerWaalsContact O-CG 3.27Å; L210-L214 WeakPolarHBondContact O-CG 3.23Å; L210-L214 PolarHBondContact O-N 3.4Å; L214-N218 PolarHBondContact O-N 2.94Å; L214-Q219 HydrophobicContact CB-CB 4.45Å; L214-Q219 HydrophobicContact CD2-CB 4.17Å; L214-Q219 PolarHBondContact O-N 2.9Å; L214-I220 HydrophobicContact CB-CD1 3.87Å; L214-I220 HydrophobicContact CB-CG1 3.85Å; L214-I220 PolarHBondContact O-N 3.4Å
215	H	95.9	Very high	95.9	Very high	73 Å²	73	48.6 Å²	48.6	34%	0.338	27%	0.268	S	S	.	.	H	α-helix	trans	-68.8	-46.9	177.6	-176.4	52.2	0	0	0	112	M211 Q212 V213 A217 N218 I220 T221 I223	M211-H215 VanDerWaalsContact O-CB 3.27Å; M211-H215 WeakPolarHBondContact O-CB 3.4Å; M211-H215 PolarHBondContact O-N 2.69Å; Q212-H215 PolarHBondContact O-N 2.97Å; V213-H215 VanDerWaalsContact C-N 3.28Å; V213-H215 PolarHBondContact O-N 3.41Å; H215-A217 PolarHBondContact O-N 3.37Å; H215-N218 WeakPolarHBondContact O-CA 3.48Å; H215-N218 PolarHBondContact O-N 3.46Å; H215-I220 HydrophobicContact CB-CD1 4.35Å; H215-I220 HydrophobicContact CB-CG1 3.89Å; H215-I220 PolarHBondContact ND1-O 2.7Å; H215-T221 PolarHBondContact CE1-O 2.8Å; H215-T221 VanDerWaalsContact CE1-O 3.26Å; H215-I223 HydrophobicContact CB-CG2 3.85Å
216	T	97.7	Very high	95.9	Very high	114 Å²	114	45.9 Å²	45.9	70%	0.699	25%	0.249	S	C	*	.	H	α-helix	trans	-61.1	-35.8	177.3	-56.2	0	0	0	0	111.4	Q212 V213 N218	Q212-T216 WeakPolarHBondContact O-CB 3.33Å; Q212-T216 PolarHBondContact O-N 3.45Å; Q212-T216 PolarHBondContact O-OG1 3.26Å; V213-T216 PolarHBondContact O-N 2.68Å; T216-N218 PolarHBondContact O-N 3.4Å
217	A	95.7	Very high	95.8	Very high	56 Å²	56	43.8 Å²	43.8	46%	0.463	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	3.9	174.6	0	0	0	0	0	113.9	V213 H215 Q219	V213-A217 VanDerWaalsContact O-CB 3.3Å; V213-A217 WeakPolarHBondContact O-CB 3.48Å; V213-A217 PolarHBondContact O-N 3.08Å; H215-A217 PolarHBondContact O-N 3.37Å; A217-Q219 HydrophobicContact CB-CG 4.19Å; A217-Q219 PolarHBondContact O-N 3.37Å; A217-Q219 VanDerWaalsContact O-N 3.16Å
218	N	91.4	Very high	95.8	Very high	144 Å²	144	43.8 Å²	43.8	77%	0.77	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	21.7	-175.6	-60.2	-63.7	0	0	0	114.9	L214 H215 T216 I220	L214-N218 PolarHBondContact O-N 2.94Å; H215-N218 WeakPolarHBondContact O-CA 3.48Å; H215-N218 PolarHBondContact O-N 3.46Å; T216-N218 PolarHBondContact O-N 3.4Å; N218-I220 VanDerWaalsContact C-N 3.35Å
219	Q	91.5	Very high	95.7	Very high	115 Å²	115	44.4 Å²	44.4	54%	0.537	24%	0.244	S	C	.	.	S	Bend	trans	-78	-25.8	173	-63.3	-172.5	12.3	0	0	111.4	L214 A217	L214-Q219 HydrophobicContact CB-CB 4.45Å; L214-Q219 HydrophobicContact CD2-CB 4.17Å; L214-Q219 PolarHBondContact O-N 2.9Å; A217-Q219 HydrophobicContact CB-CG 4.19Å; A217-Q219 PolarHBondContact O-N 3.37Å; A217-Q219 VanDerWaalsContact O-N 3.16Å
220	I	92.4	Very high	95.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	-130	142.1	169.8	62.8	178.4	0	0	0	111.4	I140 M211 L214 H215 N218 S222	I140-I220 HydrophobicContact CD1-CG2 3.86Å; I140-I220 HydrophobicContact CG2-CG2 4.15Å; M211-I220 HydrophobicContact CE-CD1 3.78Å; M211-I220 WeakPolarHBondContact O-CD1 3.45Å; M211-I220 HydrophobicContact SD-CD1 3.97Å; L214-I220 HydrophobicContact CB-CD1 3.87Å; L214-I220 HydrophobicContact CB-CG1 3.85Å; L214-I220 PolarHBondContact O-N 3.4Å; H215-I220 HydrophobicContact CB-CD1 4.35Å; H215-I220 HydrophobicContact CB-CG1 3.89Å; H215-I220 PolarHBondContact ND1-O 2.7Å; N218-I220 VanDerWaalsContact C-N 3.35Å; I220-S222 VanDerWaalsContact C-N 3.34Å; I220-S222 VanDerWaalsContact CD1-O 3.29Å; I220-S222 WeakPolarHBondContact CD1-O 3.42Å; I220-S222 WeakPolarHBondContact CG1-O 3.43Å; I220-S222 PolarHBondContact O-N 3.2Å
221	T	90.4	Very high	95.6	Very high	72 Å²	72	41.2 Å²	41.2	44%	0.442	23%	0.232	S	C	.	.	S	Bend	trans	-77.7	-14.7	-177.5	43.1	0	0	0	0	115	D143 R194 H215	D143-T221 WeakPolarHBondContact OD2-CB 3.46Å; D143-T221 WeakPolarHBondContact OD2-CG2 3.44Å; D143-T221 PolarHBondContact OD2-OG1 3.23Å; R194-T221 PolarHBondContact NH2-OG1 2.91Å; R194-T221 VanDerWaalsContact NH2-OG1 3.16Å; H215-T221 PolarHBondContact CE1-O 2.8Å; H215-T221 VanDerWaalsContact CE1-O 3.26Å
222	S	91.8	Very high	95.4	Very high	35 Å²	35	41.2 Å²	41.2	25%	0.245	23%	0.232	C	C	.	.			trans	-156.1	159.7	179.7	165.2	0	0	0	0	108.8	R194 I220 T224	R194-S222 PolarHBondContact NH1-O 3.28Å; I220-S222 VanDerWaalsContact C-N 3.34Å; I220-S222 VanDerWaalsContact CD1-O 3.29Å; I220-S222 WeakPolarHBondContact CD1-O 3.42Å; I220-S222 WeakPolarHBondContact CG1-O 3.43Å; I220-S222 PolarHBondContact O-N 3.2Å; S222-T224 VanDerWaalsContact C-N 3.31Å; S222-T224 WeakPolarHBondContact OG-CB 3.34Å; S222-T224 PolarHBondContact OG-N 3.39Å; S222-T224 PolarHBondContact OG-OG1 3.24Å
223	I	94.9	Very high	95.3	Very high	37 Å²	37	37.4 Å²	37.4	19%	0.19	22%	0.216	C	C	.	.			trans	-83.7	-3.9	170.8	63.4	167.6	0	0	0	113.6	M211 H215 L225 Q259	M211-I223 HydrophobicContact CB-CB 4.42Å; M211-I223 HydrophobicContact CB-CG2 4.44Å; M211-I223 WeakPolarHBondContact CE-O 3.36Å; H215-I223 HydrophobicContact CB-CG2 3.85Å; I223-L225 PolarHBondContact O-N 3.1Å; I223-Q259 WeakPolarHBondContact CD1-O 3.48Å
224	T	94.6	Very high	95.3	Very high	29 Å²	29	35.5 Å²	35.5	18%	0.178	20%	0.203	C	C	.	.			trans	-54	129.6	177.5	-60.3	0	0	0	0	111.4	R194 S222 L260 N261 R263	R194-T224 PolarHBondContact NH1-O 3.37Å; S222-T224 VanDerWaalsContact C-N 3.31Å; S222-T224 WeakPolarHBondContact OG-CB 3.34Å; S222-T224 PolarHBondContact OG-N 3.39Å; S222-T224 PolarHBondContact OG-OG1 3.24Å; T224-L260 VanDerWaalsContact CA-O 3.27Å; T224-L260 WeakPolarHBondContact CA-O 3.31Å; T224-N261 HydrophobicContact CG2-CB 4.44Å; T224-R263 HydrophobicContact CG2-CG 4.27Å
225	L	96	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.204	C	C	.	.			trans	-107.6	129.5	176.9	-171.3	68	0	0	0	110.5	L138 R194 A196 L207 M211 I223 L228 L260 V262 R263	L138-L225 HydrophobicContact CD1-CD1 3.93Å; R194-L225 HydrophobicContact CB-CD1 3.79Å; R194-L225 WeakPolarHBondContact O-CD1 3.24Å; A196-L225 HydrophobicContact CB-CD1 4.04Å; A196-L225 HydrophobicContact CB-CD2 3.59Å; A196-L225 HydrophobicContact CB-CG 4.42Å; L207-L225 HydrophobicContact CD2-CD2 4.18Å; M211-L225 HydrophobicContact CE-CD1 4.3Å; I223-L225 PolarHBondContact O-N 3.1Å; L225-L228 HydrophobicContact CD2-CB 3.77Å; L225-L228 HydrophobicContact CD2-CD1 4.11Å; L225-L228 HydrophobicContact CD2-CG 4.38Å; L225-L260 HydrophobicContact CB-CB 4.38Å; L225-L260 HydrophobicContact CD2-CD1 4.3Å; L225-L260 PolarHBondContact N-O 3.4Å; L225-L260 VanDerWaalsContact N-O 3.13Å; L225-V262 HydrophobicContact CB-CG2 4.12Å; L225-V262 HydrophobicContact CD2-CG2 4.14Å; L225-V262 VanDerWaalsContact O-CA 3.32Å; L225-V262 WeakPolarHBondContact O-CA 3.38Å; L225-R263 PolarHBondContact O-N 3.37Å
226	D	96	Very high	95.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-76.9	-46.4	-176	-63.4	-71.9	0	0	0	111.7	R191 H193 R194 R263 Q264	R191-D226 IonicContact CZ-OD1 3.86Å; R191-D226 IonicContact CZ-OD2 3.94Å; R191-D226 IonicContact NH1-OD1 3.09Å; R191-D226 IonicContact NH1-OD2 3.11Å; R191-D226 PolarHBondContact NH1-OD2 3.07Å; R191-D226 IonicContact NH2-OD1 3.94Å; R191-D226 PolarHBondContact NH2-OD1 3.43Å; R191-D226 IonicContact NH2-OD2 3.31Å; R191-D226 PolarHBondContact NH2-OD2 3.45Å; H193-D226 WeakPolarHBondContact CA-OD2 3.5Å; R194-D226 PolarHBondContact N-OD2 3.13Å; R194-D226 WeakPolarHBondContact O-CB 3.37Å; R194-D226 PolarHBondContact O-N 3.41Å; D226-R263 IonicContact OD1-NH1 3.33Å; D226-Q264 WeakPolarHBondContact O-CB 3.46Å; D226-Q264 PolarHBondContact O-N 2.76Å
227	T	97.3	Very high	95.3	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.6	177.7	-58.5	0	0	0	0	109.8	R194 I195 A196 V229 Q264 V266 P337	R194-T227 PolarHBondContact O-N 2.94Å; I195-T227 CarbonylContact C-O 3.52Å; I195-T227 VanDerWaalsContact CA-O 3.32Å; I195-T227 WeakPolarHBondContact CA-O 3.47Å; I195-T227 HydrophobicContact CG2-CG2 4.43Å; A196-T227 PolarHBondContact N-O 3.31Å; T227-V229 HydrophobicContact CG2-CG2 4.33Å; T227-Q264 CarbonylContact C-O 3.17Å; T227-Q264 VanDerWaalsContact CA-O 3.28Å; T227-Q264 WeakPolarHBondContact CA-O 3.48Å; T227-Q264 PolarHBondContact OG1-OE1 3.46Å; T227-V266 HydrophobicContact CG2-CG2 4.16Å; T227-P337 WeakPolarHBondContact OG1-CD 3.35Å
228	L	98.1	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.1	167.9	176.4	56.1	0	0	0	108.5	A196 M198 L207 L225 H230 L256 V262 Q264 L265 V266	A196-L228 HydrophobicContact CB-CD1 3.89Å; M198-L228 HydrophobicContact CG-CD1 4.02Å; L207-L228 HydrophobicContact CD2-CD1 3.81Å; L225-L228 HydrophobicContact CD2-CB 3.77Å; L225-L228 HydrophobicContact CD2-CD1 4.11Å; L225-L228 HydrophobicContact CD2-CG 4.38Å; L228-H230 HydrophobicContact CD1-CB 4.42Å; L228-H230 HydrophobicContact CG-CB 4.16Å; L228-L256 HydrophobicContact CD2-CD2 4.43Å; L228-V262 HydrophobicContact CB-CG1 3.85Å; L228-V262 HydrophobicContact CB-CG2 3.96Å; L228-V262 HydrophobicContact CD2-CG2 4.02Å; L228-Q264 PolarHBondContact N-O 2.79Å; L228-L265 HydrophobicContact CB-CD1 4.01Å; L228-L265 HydrophobicContact CD2-CD1 3.88Å; L228-L265 HydrophobicContact CG-CD1 3.87Å; L228-V266 PolarHBondContact O-N 3.41Å
229	V	97.6	Very high	95.8	Very high	36 Å²	36	30.5 Å²	30.5	22%	0.218	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.6	165.3	-173.5	0	0	0	0	107.5	A196 I197 M198 T227 V266 T268	A196-V229 PolarHBondContact O-N 3.29Å; I197-V229 HydrophobicContact CG1-CB 4.42Å; I197-V229 HydrophobicContact CG1-CG2 4.34Å; I197-V229 HydrophobicContact CG2-CB 4.34Å; M198-V229 PolarHBondContact N-O 3.49Å; T227-V229 HydrophobicContact CG2-CG2 4.33Å; V229-V266 WeakPolarHBondContact CA-O 3.31Å; V229-V266 HydrophobicContact CG1-CG1 4.48Å; V229-V266 HydrophobicContact CG2-CB 4.17Å; V229-T268 HydrophobicContact CG1-CG2 4.07Å
230	H	97.9	Very high	96.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.2	-176.8	-156.3	-67.2	0	0	0	111.3	M198 T201 S204 L228 V253 L265 V266 L267 T268	M198-H230 VanDerWaalsContact CG-CD2 3.46Å; M198-H230 WeakPolarHBondContact CG-CD2 3.4Å; T201-H230 VanDerWaalsContact CG2-CE1 3.5Å; T201-H230 WeakPolarHBondContact CG2-CE1 3.36Å; S204-H230 WeakPolarHBondContact CB-NE2 3.34Å; S204-H230 PolarHBondContact OG-NE2 2.97Å; L228-H230 HydrophobicContact CD1-CB 4.42Å; L228-H230 HydrophobicContact CG-CB 4.16Å; H230-V253 HydrophobicContact CB-CG1 3.74Å; H230-V253 WeakPolarHBondContact ND1-CG2 3.4Å; H230-L265 HydrophobicContact CB-CD1 4.49Å; H230-V266 PolarHBondContact N-O 3.09Å; H230-L267 CarbonylContact O-C 3.59Å; H230-L267 WeakPolarHBondContact O-CA 3.21Å; H230-T268 PolarHBondContact O-N 2.83Å
231	E	96	Very high	96.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	148	170	64.8	128.7	112.6	0	0	112.5	D200 T201 T233 H247 S248 V253 T268 H269	D200-E231 WeakPolarHBondContact CA-OE1 3.44Å; T201-E231 HydrophobicContact CG2-CG 4.3Å; T201-E231 PolarHBondContact N-OE1 2.63Å; E231-T233 PolarHBondContact OE2-N 2.8Å; E231-T233 PolarHBondContact OE2-OG1 3.1Å; E231-H247 IonicContact OE1-CE1 2.71Å; E231-H247 IonicContact OE1-CG 3.81Å; E231-H247 IonicContact OE1-ND1 3.87Å; E231-H247 PolarHBondContact OE1-ND1 2.97Å; E231-H247 IonicContact OE2-ND1 3.8Å; E231-S248 PolarHBondContact OE2-N 2.79Å; E231-V253 VanDerWaalsContact O-CG2 3.3Å; E231-V253 WeakPolarHBondContact O-CG2 3.44Å; E231-T268 WeakPolarHBondContact CA-O 3.36Å; E231-H269 HydrophobicContact CB-CB 3.73Å
232	A	94.9	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.			trans	-142.4	73.1	164.7	0	0	0	0	0	107.7	L234 P250 V253 L267 T268 F270 I312	A232-L234 VanDerWaalsContact C-N 3.34Å; A232-L234 PolarHBondContact O-N 3Å; A232-P250 HydrophobicContact CB-CG 4.48Å; A232-V253 HydrophobicContact CB-CG2 4.48Å; A232-L267 HydrophobicContact CB-CD1 4.4Å; A232-L267 HydrophobicContact CB-CD2 4.09Å; A232-T268 PolarHBondContact N-O 3.38Å; A232-T268 VanDerWaalsContact N-O 3.1Å; A232-F270 WeakPolarHBondContact O-CD1 3.32Å; A232-I312 HydrophobicContact CB-CG2 4.2Å; A232-I312 WeakPolarHBondContact O-CD1 3.3Å
233	T	96.5	Very high	97	Very high	13 Å²	13	31.5 Å²	31.5	8%	0.08	17%	0.167	C	C	.	.			trans	-63.5	-36.7	-165.7	-61.3	0	0	0	0	114.1	E231 H247 S248 H269 S271	E231-T233 PolarHBondContact OE2-N 2.8Å; E231-T233 PolarHBondContact OE2-OG1 3.1Å; T233-H247 HydrophobicContact CG2-CB 4.33Å; T233-H247 PolarHBondContact OG1-ND1 2.76Å; T233-S248 PolarHBondContact N-O 3.41Å; T233-S248 VanDerWaalsContact N-O 3.12Å; T233-H269 VanDerWaalsContact CA-O 3.31Å; T233-H269 WeakPolarHBondContact CA-O 3.32Å; T233-H269 WeakPolarHBondContact CB-O 3.14Å; T233-H269 PolarHBondContact OG1-CD2 3.28Å; T233-H269 VanDerWaalsContact OG1-CD2 3.28Å; T233-H269 PolarHBondContact OG1-O 2.76Å; T233-S271 WeakPolarHBondContact O-CB 3.4Å; T233-S271 PolarHBondContact O-N 3.46Å
234	L	97.1	Very high	97.1	Very high	6 Å²	6	34 Å²	34	3%	0.031	19%	0.187	C	C	.	.	S	Bend	trans	-128.5	157	-178.8	-61.6	178.7	0	0	0	111.6	A232 L238 D241 A242 S248 V249 P250 R273 Y274	A232-L234 VanDerWaalsContact C-N 3.34Å; A232-L234 PolarHBondContact O-N 3Å; L234-L238 HydrophobicContact CB-CB 4.04Å; L234-L238 HydrophobicContact CB-CD1 4.22Å; L234-L238 HydrophobicContact CD1-CB 4.02Å; L234-L238 HydrophobicContact CD1-CD1 4.42Å; L234-L238 HydrophobicContact CD2-CD1 4.11Å; L234-L238 HydrophobicContact CG-CD1 4.5Å; L234-D241 HydrophobicContact CD1-CB 4.14Å; L234-D241 VanDerWaalsContact CD1-OD2 3.32Å; L234-D241 WeakPolarHBondContact CD1-OD2 3.35Å; L234-A242 HydrophobicContact CB-CB 4.14Å; L234-A242 HydrophobicContact CD1-CB 3.93Å; L234-A242 HydrophobicContact CG-CB 4.35Å; L234-S248 PolarHBondContact N-O 3.45Å; L234-V249 HydrophobicContact CB-CG1 4.44Å; L234-V249 WeakPolarHBondContact O-CA 3.38Å; L234-V249 WeakPolarHBondContact O-CB 3.44Å; L234-V249 WeakPolarHBondContact O-CG1 2.96Å; L234-P250 WeakPolarHBondContact O-CD 3.5Å; L234-R273 VanDerWaalsContact CD2-CD 3.48Å; L234-Y274 HydrophobicContact CD2-CE2 4.24Å
235	D	97	Very high	97.2	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.027	20%	0.201	C	C	.	.			trans	-73.2	157.9	172.8	76.4	83.9	0	0	0	111.5	S237 L238 Y274 I311 I312 Q315	D235-S237 PolarHBondContact O-N 2.99Å; D235-S237 VanDerWaalsContact OD1-CB 3.25Å; D235-S237 WeakPolarHBondContact OD1-CB 3.47Å; D235-S237 PolarHBondContact OD1-N 2.84Å; D235-S237 PolarHBondContact OD1-OG 3.1Å; D235-L238 PolarHBondContact O-N 2.83Å; D235-L238 WeakPolarHBondContact OD2-CD1 3.4Å; D235-Y274 HydrophobicContact CB-CE1 4.46Å; D235-Y274 WeakPolarHBondContact CB-OH 3.29Å; D235-Y274 PolarHBondContact N-OH 3.37Å; D235-Y274 PolarHBondContact OD2-OH 2.9Å; D235-I311 HydrophobicContact CB-CD1 4.21Å; D235-I311 HydrophobicContact CB-CG1 4.29Å; D235-I311 HydrophobicContact CB-CG2 3.97Å; D235-I312 HydrophobicContact CB-CG1 4.36Å; D235-Q315 VanDerWaalsContact CA-OE1 3.26Å; D235-Q315 VanDerWaalsContact CB-OE1 3.28Å
236	D	97.9	Very high	97.2	Very high	43 Å²	43	37.7 Å²	37.7	23%	0.23	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.3	-24.8	-172.6	-68.4	-39.6	0	0	0	113.9	L238 Y239 V249 S251	D236-L238 PolarHBondContact O-N 3.34Å; D236-L238 VanDerWaalsContact O-N 3.15Å; D236-Y239 PolarHBondContact O-N 3.12Å; D236-V249 WeakPolarHBondContact OD1-CB 3.4Å; D236-V249 WeakPolarHBondContact OD1-CG2 3.32Å; D236-S251 WeakPolarHBondContact OD1-CB 3.12Å; D236-S251 PolarHBondContact OD1-N 3.47Å; D236-S251 PolarHBondContact OD1-OG 3.34Å
237	S	97.4	Very high	97.3	Very high	97 Å²	97	39.1 Å²	39.1	68%	0.678	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-67.7	-13	177.2	76.1	0	0	0	0	113.3	D235	D235-S237 PolarHBondContact O-N 2.99Å; D235-S237 VanDerWaalsContact OD1-CB 3.25Å; D235-S237 WeakPolarHBondContact OD1-CB 3.47Å; D235-S237 PolarHBondContact OD1-N 2.84Å; D235-S237 PolarHBondContact OD1-OG 3.1Å
238	L	97.2	Very high	97.3	Very high	36 Å²	36	39 Å²	39	19%	0.188	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-115.1	22.1	-178.2	-59.1	165.6	0	0	0	112.1	L234 D235 D236 E240 D241 A242	L234-L238 HydrophobicContact CB-CB 4.04Å; L234-L238 HydrophobicContact CB-CD1 4.22Å; L234-L238 HydrophobicContact CD1-CB 4.02Å; L234-L238 HydrophobicContact CD1-CD1 4.42Å; L234-L238 HydrophobicContact CD2-CD1 4.11Å; L234-L238 HydrophobicContact CG-CD1 4.5Å; D235-L238 PolarHBondContact O-N 2.83Å; D235-L238 WeakPolarHBondContact OD2-CD1 3.4Å; D236-L238 PolarHBondContact O-N 3.34Å; D236-L238 VanDerWaalsContact O-N 3.15Å; L238-E240 VanDerWaalsContact C-N 3.29Å; L238-E240 PolarHBondContact O-N 3.39Å; L238-D241 HydrophobicContact CB-CB 4.4Å; L238-D241 WeakPolarHBondContact O-CB 3.41Å; L238-D241 PolarHBondContact O-N 2.86Å; L238-A242 PolarHBondContact O-N 3.24Å
239	Y	98.3	Very high	97.3	Very high	102 Å²	102	39 Å²	39	40%	0.4	21%	0.207	S	C	.	.	H	α-helix	trans	-46.6	-49.5	-179.1	175.6	-104.4	0	0	0	113.5	D236 D241 A242 L243 V249 V252	D236-Y239 PolarHBondContact O-N 3.12Å; Y239-D241 VanDerWaalsContact C-N 3.33Å; Y239-D241 PolarHBondContact O-N 2.95Å; Y239-A242 WeakPolarHBondContact O-CB 3.44Å; Y239-A242 PolarHBondContact O-N 3.48Å; Y239-L243 HydrophobicContact CE1-CD2 4.17Å; Y239-L243 WeakPolarHBondContact O-CB 3.32Å; Y239-L243 PolarHBondContact O-N 3.4Å; Y239-V249 HydrophobicContact CD2-CG1 4.36Å; Y239-V249 HydrophobicContact CD2-CG2 3.66Å; Y239-V249 HydrophobicContact CE2-CG2 4.4Å; Y239-V252 HydrophobicContact CD2-CG2 4.33Å; Y239-V252 HydrophobicContact CE2-CG2 3.76Å
240	E	98.3	Very high	97.3	Very high	137 Å²	137	37.3 Å²	37.3	64%	0.64	20%	0.197	S	C	*	.	H	α-helix	trans	-63.9	-37	-180	-62.2	-60.8	158	0	0	112.6	L238 S244	L238-E240 VanDerWaalsContact C-N 3.29Å; L238-E240 PolarHBondContact O-N 3.39Å; E240-S244 VanDerWaalsContact O-CB 3.29Å; E240-S244 WeakPolarHBondContact O-CB 3.14Å; E240-S244 PolarHBondContact O-N 3.49Å; E240-S244 PolarHBondContact O-OG 3.28Å
241	D	98.1	Very high	97.3	Very high	51 Å²	51	39.7 Å²	39.7	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-68.4	-42.3	176.1	-173.4	54.7	0	0	0	110.7	L234 L238 Y239 S244 K245	L234-D241 HydrophobicContact CD1-CB 4.14Å; L234-D241 VanDerWaalsContact CD1-OD2 3.32Å; L234-D241 WeakPolarHBondContact CD1-OD2 3.35Å; L238-D241 HydrophobicContact CB-CB 4.4Å; L238-D241 WeakPolarHBondContact O-CB 3.41Å; L238-D241 PolarHBondContact O-N 2.86Å; Y239-D241 VanDerWaalsContact C-N 3.33Å; Y239-D241 PolarHBondContact O-N 2.95Å; D241-S244 PolarHBondContact O-N 3.12Å; D241-S244 PolarHBondContact O-OG 3.15Å; D241-K245 WeakPolarHBondContact O-CG 3.5Å; D241-K245 PolarHBondContact O-N 3.35Å; D241-K245 WeakPolarHBondContact OD1-CE 3.13Å; D241-K245 IonicContact OD1-NZ 3.11Å; D241-K245 PolarHBondContact OD1-NZ 3.5Å; D241-K245 IonicContact OD2-NZ 3.89Å; D241-K245 PolarHBondContact OD2-NZ 2.85Å
242	A	97.9	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-52.4	175.8	0	0	0	0	0	110.6	L234 L238 Y239 S244 K245 G246 H247 V249	L234-A242 HydrophobicContact CB-CB 4.14Å; L234-A242 HydrophobicContact CD1-CB 3.93Å; L234-A242 HydrophobicContact CG-CB 4.35Å; L238-A242 PolarHBondContact O-N 3.24Å; Y239-A242 WeakPolarHBondContact O-CB 3.44Å; Y239-A242 PolarHBondContact O-N 3.48Å; A242-S244 VanDerWaalsContact C-N 3.35Å; A242-S244 PolarHBondContact O-N 3.22Å; A242-K245 CarbonylContact O-C 3.53Å; A242-K245 PolarHBondContact O-N 2.98Å; A242-G246 PolarHBondContact O-N 2.75Å; A242-H247 CarbonylContact C-O 3.58Å; A242-H247 HydrophobicContact CB-CB 4.48Å; A242-H247 PolarHBondContact O-N 2.55Å; A242-V249 HydrophobicContact CB-CG1 3.67Å
243	L	97.3	Very high	97.6	Very high	60 Å²	60	41.8 Å²	41.8	31%	0.314	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-45.7	180	-178.9	62.2	0	0	0	111.5	Y202 Y239 K245 G246	Y202-L243 HydrophobicContact CD2-CD1 3.37Å; Y202-L243 HydrophobicContact CE2-CD1 4Å; Y202-L243 HydrophobicContact CG-CD1 3.77Å; Y239-L243 HydrophobicContact CE1-CD2 4.17Å; Y239-L243 WeakPolarHBondContact O-CB 3.32Å; Y239-L243 PolarHBondContact O-N 3.4Å; L243-K245 PolarHBondContact O-N 2.99Å; L243-G246 PolarHBondContact O-N 3.46Å
244	S	96.7	Very high	97.6	Very high	88 Å²	88	41.2 Å²	41.2	62%	0.615	22%	0.223	S	C	*	.	H	α-helix	trans	-61.8	-28.8	178.5	76.5	0	0	0	0	113.3	E240 D241 A242	E240-S244 VanDerWaalsContact O-CB 3.29Å; E240-S244 WeakPolarHBondContact O-CB 3.14Å; E240-S244 PolarHBondContact O-N 3.49Å; E240-S244 PolarHBondContact O-OG 3.28Å; D241-S244 PolarHBondContact O-N 3.12Å; D241-S244 PolarHBondContact O-OG 3.15Å; A242-S244 VanDerWaalsContact C-N 3.35Å; A242-S244 PolarHBondContact O-N 3.22Å
245	K	96.7	Very high	97.7	Very high	106 Å²	106	47.6 Å²	47.6	46%	0.461	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.2	176.4	-66.1	170.3	-177.6	162.1	0	112.8	T131 D241 A242 L243 H247	T131-K245 VanDerWaalsContact CG2-O 3.29Å; T131-K245 WeakPolarHBondContact CG2-O 3.44Å; D241-K245 WeakPolarHBondContact O-CG 3.5Å; D241-K245 PolarHBondContact O-N 3.35Å; D241-K245 WeakPolarHBondContact OD1-CE 3.13Å; D241-K245 IonicContact OD1-NZ 3.11Å; D241-K245 PolarHBondContact OD1-NZ 3.5Å; D241-K245 IonicContact OD2-NZ 3.89Å; D241-K245 PolarHBondContact OD2-NZ 2.85Å; A242-K245 CarbonylContact O-C 3.53Å; A242-K245 PolarHBondContact O-N 2.98Å; L243-K245 PolarHBondContact O-N 2.99Å; K245-H247 PolarHBondContact O-CD2 3.37Å; K245-H247 VanDerWaalsContact O-CD2 3.27Å
246	G	96.9	Very high	97.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.01	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	25.7	178	0	0	0	0	0	115.4	H130 T201 Y202 A242 L243	H130-G246 PolarHBondContact ND1-O 3.17Å; T201-G246 CarbonylContact C-O 3.38Å; T201-G246 WeakPolarHBondContact CA-O 3.38Å; Y202-G246 PolarHBondContact N-O 3.23Å; Y202-G246 VanDerWaalsContact N-O 3.17Å; A242-G246 PolarHBondContact O-N 2.75Å; L243-G246 PolarHBondContact O-N 3.46Å
247	H	98.1	Very high	97.7	Very high	31 Å²	31	45.9 Å²	45.9	14%	0.144	24%	0.241	C	C	.	.			trans	-115.3	167.1	-178.1	-67.6	-70.7	0	0	0	113	H130 D200 T201 Y202 E231 T233 A242 K245 H269	H130-H247 AromaticContact CE1-CE1 3.69Å; H130-H247 AromaticContact CE1-NE2 3.89Å; D200-H247 IonicContact OD2-CE1 2.69Å; T201-H247 CarbonylContact O-C 3.22Å; Y202-H247 WeakPolarHBondContact CB-O 3.36Å; E231-H247 IonicContact OE1-CE1 2.71Å; E231-H247 IonicContact OE1-CG 3.81Å; E231-H247 IonicContact OE1-ND1 3.87Å; E231-H247 PolarHBondContact OE1-ND1 2.97Å; E231-H247 IonicContact OE2-ND1 3.8Å; T233-H247 HydrophobicContact CG2-CB 4.33Å; T233-H247 PolarHBondContact OG1-ND1 2.76Å; A242-H247 CarbonylContact C-O 3.58Å; A242-H247 HydrophobicContact CB-CB 4.48Å; A242-H247 PolarHBondContact O-N 2.55Å; K245-H247 PolarHBondContact O-CD2 3.37Å; K245-H247 VanDerWaalsContact O-CD2 3.27Å; H247-H269 AromaticContact CE1-CD2 3.84Å; H247-H269 AromaticContact CE1-NE2 3.37Å; H247-H269 PolarHBondContact CE1-NE2 3.28Å; H247-H269 AromaticContact ND1-CD2 3.92Å; H247-H269 AromaticContact ND1-NE2 3.92Å
248	S	98.1	Very high	97.7	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.021	22%	0.223	C	C	.	.			trans	-98.9	164	-178.4	-71.9	0	0	0	0	113.2	T201 E231 T233 L234	T201-S248 WeakPolarHBondContact O-CB 3.25Å; T201-S248 PolarHBondContact O-N 2.89Å; T201-S248 VanDerWaalsContact O-N 3.1Å; T201-S248 PolarHBondContact O-OG 2.94Å; E231-S248 PolarHBondContact OE2-N 2.79Å; T233-S248 PolarHBondContact N-O 3.41Å; T233-S248 VanDerWaalsContact N-O 3.12Å; L234-S248 PolarHBondContact N-O 3.45Å
249	V	98.2	Very high	97.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.234	C	C	.	.			trans	-123.5	160.3	169.2	-57.8	0	0	0	0	110.2	L234 D236 Y239 A242 S251 V252 V253	L234-V249 HydrophobicContact CB-CG1 4.44Å; L234-V249 WeakPolarHBondContact O-CA 3.38Å; L234-V249 WeakPolarHBondContact O-CB 3.44Å; L234-V249 WeakPolarHBondContact O-CG1 2.96Å; D236-V249 WeakPolarHBondContact OD1-CB 3.4Å; D236-V249 WeakPolarHBondContact OD1-CG2 3.32Å; Y239-V249 HydrophobicContact CD2-CG1 4.36Å; Y239-V249 HydrophobicContact CD2-CG2 3.66Å; Y239-V249 HydrophobicContact CE2-CG2 4.4Å; A242-V249 HydrophobicContact CB-CG1 3.67Å; V249-S251 VanDerWaalsContact C-N 3.35Å; V249-S251 PolarHBondContact O-N 2.86Å; V249-V252 HydrophobicContact CG2-CB 4.4Å; V249-V252 HydrophobicContact CG2-CG2 3.81Å; V249-V252 PolarHBondContact O-N 3.18Å; V249-V252 VanDerWaalsContact O-N 3.17Å; V249-V253 PolarHBondContact O-N 3.2Å
250	P	97.7	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-47.5	-49.1	-177.4	-34.4	38.8	0	0	0	114.9	A232 L234 V252 V253 M254 I312 Q315 A316	A232-P250 HydrophobicContact CB-CG 4.48Å; L234-P250 WeakPolarHBondContact O-CD 3.5Å; P250-V252 VanDerWaalsContact C-N 3.29Å; P250-V252 PolarHBondContact O-N 3.5Å; P250-V253 PolarHBondContact O-N 3.14Å; P250-V253 VanDerWaalsContact O-N 3.14Å; P250-M254 WeakPolarHBondContact O-CB 2.84Å; P250-M254 VanDerWaalsContact O-CG 3.28Å; P250-M254 WeakPolarHBondContact O-CG 3.3Å; P250-M254 PolarHBondContact O-N 3.17Å; P250-I312 HydrophobicContact CG-CB 4.24Å; P250-I312 HydrophobicContact CG-CG2 3.68Å; P250-Q315 HydrophobicContact CB-CB 3.87Å; P250-Q315 HydrophobicContact CG-CB 4.09Å; P250-A316 HydrophobicContact CB-CB 4.32Å
251	S	97.3	Very high	97.6	Very high	52 Å²	52	39 Å²	39	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-60	-36.6	-175.8	57.1	0	0	0	0	113.6	D236 V249 K255	D236-S251 WeakPolarHBondContact OD1-CB 3.12Å; D236-S251 PolarHBondContact OD1-N 3.47Å; D236-S251 PolarHBondContact OD1-OG 3.34Å; V249-S251 VanDerWaalsContact C-N 3.35Å; V249-S251 PolarHBondContact O-N 2.86Å; S251-K255 WeakPolarHBondContact O-CB 3.38Å; S251-K255 PolarHBondContact O-N 3.47Å
252	V	97.5	Very high	97.5	Very high	45 Å²	45	36.6 Å²	36.6	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-66.1	-46.2	176.4	175.4	0	0	0	0	110.6	Y239 V249 P250 K255 L256	Y239-V252 HydrophobicContact CD2-CG2 4.33Å; Y239-V252 HydrophobicContact CE2-CG2 3.76Å; V249-V252 HydrophobicContact CG2-CB 4.4Å; V249-V252 HydrophobicContact CG2-CG2 3.81Å; V249-V252 PolarHBondContact O-N 3.18Å; V249-V252 VanDerWaalsContact O-N 3.17Å; P250-V252 VanDerWaalsContact C-N 3.29Å; P250-V252 PolarHBondContact O-N 3.5Å; V252-K255 PolarHBondContact O-N 2.95Å; V252-L256 PolarHBondContact O-N 3.23Å
253	V	98.5	Very high	97.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-42.5	-179.9	-174.2	0	0	0	0	110.9	H230 E231 A232 V249 P250 K255 L256 A257 L265 L267	H230-V253 HydrophobicContact CB-CG1 3.74Å; H230-V253 WeakPolarHBondContact ND1-CG2 3.4Å; E231-V253 VanDerWaalsContact O-CG2 3.3Å; E231-V253 WeakPolarHBondContact O-CG2 3.44Å; A232-V253 HydrophobicContact CB-CG2 4.48Å; V249-V253 PolarHBondContact O-N 3.2Å; P250-V253 PolarHBondContact O-N 3.14Å; P250-V253 VanDerWaalsContact O-N 3.14Å; V253-K255 VanDerWaalsContact C-N 3.33Å; V253-K255 PolarHBondContact O-N 3.35Å; V253-L256 PolarHBondContact O-N 2.92Å; V253-A257 WeakPolarHBondContact O-CB 3.23Å; V253-A257 PolarHBondContact O-N 2.88Å; V253-L265 HydrophobicContact CG1-CD1 3.86Å; V253-L265 HydrophobicContact CG1-CD2 4.19Å; V253-L267 HydrophobicContact CB-CD2 4.4Å; V253-L267 HydrophobicContact CG1-CD2 3.78Å
254	M	98.1	Very high	97.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-40.5	178.1	-71.8	-48.3	-61.2	0	0	111.9	P250 L256 A257 C258 L265 A316 T319 F321 I325	P250-M254 WeakPolarHBondContact O-CB 2.84Å; P250-M254 VanDerWaalsContact O-CG 3.28Å; P250-M254 WeakPolarHBondContact O-CG 3.3Å; P250-M254 PolarHBondContact O-N 3.17Å; M254-L256 VanDerWaalsContact C-N 3.34Å; M254-L256 PolarHBondContact O-N 2.88Å; M254-A257 PolarHBondContact O-N 3.11Å; M254-A257 VanDerWaalsContact O-N 3.17Å; M254-C258 PolarHBondContact O-N 3.44Å; M254-C258 PolarHBondContact O-SG 2.67Å; M254-L265 HydrophobicContact CE-CD2 4.46Å; M254-L265 HydrophobicContact SD-CD2 3.38Å; M254-L265 WeakPolarHBondContact SD-CD2 3.48Å; M254-A316 WeakPolarHBondContact CE-O 3.28Å; M254-A316 HydrophobicContact CG-CB 4.05Å; M254-A316 HydrophobicContact SD-CB 3.84Å; M254-T319 HydrophobicContact CB-CG2 4.18Å; M254-T319 HydrophobicContact CE-CG2 4.43Å; M254-F321 HydrophobicContact CE-CB 3.44Å; M254-F321 VanDerWaalsContact CE-CB 3.44Å; M254-F321 HydrophobicContact CE-CD1 3.78Å; M254-F321 HydrophobicContact CE-CD2 3.9Å; M254-F321 HydrophobicContact CE-CE1 4.47Å; M254-F321 HydrophobicContact CE-CG 3.44Å; M254-F321 VanDerWaalsContact CE-CG 3.44Å; M254-I325 HydrophobicContact CE-CD1 3.88Å; M254-I325 HydrophobicContact SD-CD1 4Å
255	K	97.7	Very high	97.4	Very high	139 Å²	139	33.2 Å²	33.2	60%	0.604	17%	0.166	S	C	*	.	H	α-helix	trans	-57	-48.1	174.9	-177.5	-179	177.7	-177	0	111.5	S251 V252 V253 A257 C258 Q259	S251-K255 WeakPolarHBondContact O-CB 3.38Å; S251-K255 PolarHBondContact O-N 3.47Å; V252-K255 PolarHBondContact O-N 2.95Å; V253-K255 VanDerWaalsContact C-N 3.33Å; V253-K255 PolarHBondContact O-N 3.35Å; K255-A257 VanDerWaalsContact C-N 3.35Å; K255-C258 PolarHBondContact O-N 3.46Å; K255-Q259 VanDerWaalsContact O-CG 3.3Å; K255-Q259 WeakPolarHBondContact O-CG 3.45Å; K255-Q259 PolarHBondContact O-N 2.94Å; K255-Q259 VanDerWaalsContact O-N 3.08Å
256	L	98.2	Very high	97.4	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-42.8	176.2	179.1	63.8	0	0	0	111.5	L207 L208 L228 V252 V253 M254 C258 Q259 L260	L207-L256 HydrophobicContact CD2-CD2 4.38Å; L208-L256 HydrophobicContact CB-CD1 3.97Å; L228-L256 HydrophobicContact CD2-CD2 4.43Å; V252-L256 PolarHBondContact O-N 3.23Å; V253-L256 PolarHBondContact O-N 2.92Å; M254-L256 VanDerWaalsContact C-N 3.34Å; M254-L256 PolarHBondContact O-N 2.88Å; L256-C258 VanDerWaalsContact C-N 3.35Å; L256-C258 PolarHBondContact O-N 3.31Å; L256-Q259 PolarHBondContact O-N 3.31Å; L256-L260 HydrophobicContact CD1-CD1 3.78Å; L256-L260 HydrophobicContact CD1-CG 4.27Å; L256-L260 HydrophobicContact CG-CD1 4.04Å; L256-L260 PolarHBondContact O-N 3.44Å
257	A	98.4	Very high	97.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-42.6	179.8	0	0	0	0	0	112.2	V253 M254 K255 L260 N261 V262 L265 F321	V253-A257 WeakPolarHBondContact O-CB 3.23Å; V253-A257 PolarHBondContact O-N 2.88Å; M254-A257 PolarHBondContact O-N 3.11Å; M254-A257 VanDerWaalsContact O-N 3.17Å; K255-A257 VanDerWaalsContact C-N 3.35Å; A257-L260 PolarHBondContact O-N 3.33Å; A257-N261 PolarHBondContact O-N 3.08Å; A257-N261 VanDerWaalsContact O-N 3.12Å; A257-V262 HydrophobicContact CB-CB 3.99Å; A257-V262 HydrophobicContact CB-CG2 3.96Å; A257-V262 PolarHBondContact O-N 2.96Å; A257-L265 HydrophobicContact CB-CD2 4.18Å; A257-F321 HydrophobicContact CB-CD2 4.47Å; A257-F321 HydrophobicContact CB-CE2 3.88Å; A257-F321 HydrophobicContact CB-CZ 4.35Å
258	C	97.6	Very high	97.2	Very high	44 Å²	44	28 Å²	28	30%	0.297	15%	0.145	S	C	.	.	H	α-helix	trans	-64.4	-44.6	173.8	-66.7	0	0	0	0	111.7	M254 K255 L256 L260 N261	M254-C258 PolarHBondContact O-N 3.44Å; M254-C258 PolarHBondContact O-SG 2.67Å; K255-C258 PolarHBondContact O-N 3.46Å; L256-C258 VanDerWaalsContact C-N 3.35Å; L256-C258 PolarHBondContact O-N 3.31Å; C258-L260 VanDerWaalsContact C-N 3.26Å; C258-L260 PolarHBondContact O-N 2.97Å; C258-N261 PolarHBondContact O-N 2.96Å; C258-N261 VanDerWaalsContact O-N 3.13Å
259	Q	97.4	Very high	97	Very high	90 Å²	90	31.2 Å²	31.2	42%	0.421	16%	0.16	S	C	.	.	H	α-helix	trans	-61.8	-33.3	179.2	-71.9	176.8	-60.1	0	0	113	L208 I223 K255 L256	L208-Q259 HydrophobicContact CD1-CB 4.31Å; L208-Q259 HydrophobicContact CD2-CB 4.18Å; I223-Q259 WeakPolarHBondContact CD1-O 3.48Å; K255-Q259 VanDerWaalsContact O-CG 3.3Å; K255-Q259 WeakPolarHBondContact O-CG 3.45Å; K255-Q259 PolarHBondContact O-N 2.94Å; K255-Q259 VanDerWaalsContact O-N 3.08Å; L256-Q259 PolarHBondContact O-N 3.31Å
260	L	97.4	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	5	178.4	-73.8	173.7	0	0	0	113.8	L207 L208 M211 T224 L225 L256 A257 C258 V262	L207-L260 HydrophobicContact CD2-CD1 3.71Å; L207-L260 HydrophobicContact CG-CD1 3.8Å; L208-L260 HydrophobicContact CD1-CD2 3.61Å; L208-L260 HydrophobicContact CD1-CG 4.05Å; M211-L260 HydrophobicContact CB-CD2 3.86Å; M211-L260 HydrophobicContact CG-CD2 3.84Å; T224-L260 VanDerWaalsContact CA-O 3.27Å; T224-L260 WeakPolarHBondContact CA-O 3.31Å; L225-L260 HydrophobicContact CB-CB 4.38Å; L225-L260 HydrophobicContact CD2-CD1 4.3Å; L225-L260 PolarHBondContact N-O 3.4Å; L225-L260 VanDerWaalsContact N-O 3.13Å; L256-L260 HydrophobicContact CD1-CD1 3.78Å; L256-L260 HydrophobicContact CD1-CG 4.27Å; L256-L260 HydrophobicContact CG-CD1 4.04Å; L256-L260 PolarHBondContact O-N 3.44Å; A257-L260 PolarHBondContact O-N 3.33Å; C258-L260 VanDerWaalsContact C-N 3.26Å; C258-L260 PolarHBondContact O-N 2.97Å; L260-V262 HydrophobicContact CB-CG2 3.99Å; L260-V262 PolarHBondContact O-N 3.18Å
261	N	95.2	Very high	96.6	Very high	94 Å²	94	34.6 Å²	34.6	50%	0.503	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	46.6	-173.8	-58.1	-67.5	0	0	0	111.8	T224 A257 C258 R263	T224-N261 HydrophobicContact CG2-CB 4.44Å; A257-N261 PolarHBondContact O-N 3.08Å; A257-N261 VanDerWaalsContact O-N 3.12Å; C258-N261 PolarHBondContact O-N 2.96Å; C258-N261 VanDerWaalsContact O-N 3.13Å; N261-R263 PolarHBondContact O-N 3.19Å
262	V	97.3	Very high	96.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	20%	0.2	C	C	.	.			trans	-59.1	133.7	-177.9	172.8	0	0	0	0	109.6	L225 L228 A257 L260 Q264 L265 F321	L225-V262 HydrophobicContact CB-CG2 4.12Å; L225-V262 HydrophobicContact CD2-CG2 4.14Å; L225-V262 VanDerWaalsContact O-CA 3.32Å; L225-V262 WeakPolarHBondContact O-CA 3.38Å; L228-V262 HydrophobicContact CB-CG1 3.85Å; L228-V262 HydrophobicContact CB-CG2 3.96Å; L228-V262 HydrophobicContact CD2-CG2 4.02Å; A257-V262 HydrophobicContact CB-CB 3.99Å; A257-V262 HydrophobicContact CB-CG2 3.96Å; A257-V262 PolarHBondContact O-N 2.96Å; L260-V262 HydrophobicContact CB-CG2 3.99Å; L260-V262 PolarHBondContact O-N 3.18Å; V262-Q264 VanDerWaalsContact CG1-C 3.5Å; V262-Q264 VanDerWaalsContact CG1-O 3.31Å; V262-Q264 WeakPolarHBondContact CG1-O 3.41Å; V262-L265 HydrophobicContact CG1-CB 4.16Å; V262-F321 HydrophobicContact CB-CE2 4.02Å; V262-F321 HydrophobicContact CB-CZ 3.99Å; V262-F321 HydrophobicContact CG1-CZ 4.07Å; V262-F321 WeakPolarHBondContact O-CE2 3.39Å; V262-F321 WeakPolarHBondContact O-CZ 3.18Å
263	R	95.5	Very high	96.1	Very high	62 Å²	62	42.9 Å²	42.9	23%	0.234	21%	0.205	C	C	.	.	S	Bend	trans	-91.9	-34.1	178.9	-60.8	174.9	61.5	146.4	13.8	113.4	T224 L225 D226 N261 G323 D324 T340	T224-R263 HydrophobicContact CG2-CG 4.27Å; L225-R263 PolarHBondContact O-N 3.37Å; D226-R263 IonicContact OD1-NH1 3.33Å; N261-R263 PolarHBondContact O-N 3.19Å; R263-G323 CarbonylContact O-C 3.42Å; R263-G323 WeakPolarHBondContact O-CA 3.37Å; R263-D324 PolarHBondContact O-N 2.89Å; R263-T340 PolarHBondContact NH1-OG1 3.39Å; R263-T340 PolarHBondContact NH2-OG1 3.22Å
264	Q	96.7	Very high	95.8	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.065	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	112.6	176.2	-178.3	-174.1	70.5	0	0	108.7	D226 T227 L228 V262 V266 D324 I326 K335 P337	D226-Q264 WeakPolarHBondContact O-CB 3.46Å; D226-Q264 PolarHBondContact O-N 2.76Å; T227-Q264 CarbonylContact C-O 3.17Å; T227-Q264 VanDerWaalsContact CA-O 3.28Å; T227-Q264 WeakPolarHBondContact CA-O 3.48Å; T227-Q264 PolarHBondContact OG1-OE1 3.46Å; L228-Q264 PolarHBondContact N-O 2.79Å; V262-Q264 VanDerWaalsContact CG1-C 3.5Å; V262-Q264 VanDerWaalsContact CG1-O 3.31Å; V262-Q264 WeakPolarHBondContact CG1-O 3.41Å; Q264-V266 HydrophobicContact CG-CG2 4.28Å; Q264-D324 CarbonylContact C-O 3.6Å; Q264-D324 WeakPolarHBondContact CA-O 3.19Å; Q264-I326 HydrophobicContact CG-CD1 3.88Å; Q264-K335 PolarHBondContact NE2-O 3.39Å; Q264-K335 VanDerWaalsContact NE2-O 3.15Å; Q264-P337 HydrophobicContact CB-CG 4.03Å
265	L	97.7	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121	173.5	178.3	61.4	0	0	0	109.1	L228 H230 V253 M254 A257 V262 L267 F321 D324 I325 I326	L228-L265 HydrophobicContact CB-CD1 4.01Å; L228-L265 HydrophobicContact CD2-CD1 3.88Å; L228-L265 HydrophobicContact CG-CD1 3.87Å; H230-L265 HydrophobicContact CB-CD1 4.49Å; V253-L265 HydrophobicContact CG1-CD1 3.86Å; V253-L265 HydrophobicContact CG1-CD2 4.19Å; M254-L265 HydrophobicContact CE-CD2 4.46Å; M254-L265 HydrophobicContact SD-CD2 3.38Å; M254-L265 WeakPolarHBondContact SD-CD2 3.48Å; A257-L265 HydrophobicContact CB-CD2 4.18Å; V262-L265 HydrophobicContact CG1-CB 4.16Å; L265-L267 HydrophobicContact CD1-CD2 4.01Å; L265-L267 HydrophobicContact CD2-CD2 3.91Å; L265-L267 HydrophobicContact CD2-CG 4.31Å; L265-L267 HydrophobicContact CG-CD2 3.86Å; L265-L267 HydrophobicContact CG-CG 4.17Å; L265-F321 HydrophobicContact CB-CE1 4.26Å; L265-F321 HydrophobicContact CB-CZ 4.21Å; L265-D324 PolarHBondContact N-O 3.49Å; L265-I325 HydrophobicContact CB-CG1 4.5Å; L265-I325 CarbonylContact O-C 3.35Å; L265-I325 WeakPolarHBondContact O-CA 3.23Å; L265-I326 PolarHBondContact O-N 3.43Å
266	V	96.4	Very high	94.9	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.3	175	-176.2	0	0	0	0	107.9	T227 L228 V229 H230 Q264 I326 A328 V334	T227-V266 HydrophobicContact CG2-CG2 4.16Å; L228-V266 PolarHBondContact O-N 3.41Å; V229-V266 WeakPolarHBondContact CA-O 3.31Å; V229-V266 HydrophobicContact CG1-CG1 4.48Å; V229-V266 HydrophobicContact CG2-CB 4.17Å; H230-V266 PolarHBondContact N-O 3.09Å; Q264-V266 HydrophobicContact CG-CG2 4.28Å; V266-I326 CarbonylContact C-O 3.6Å; V266-I326 WeakPolarHBondContact CA-O 3.38Å; V266-I326 HydrophobicContact CG2-CB 4.43Å; V266-A328 HydrophobicContact CG1-CB 3.42Å; V266-A328 VanDerWaalsContact CG1-CB 3.42Å; V266-V334 HydrophobicContact CG1-CG2 4.34Å; V266-V334 HydrophobicContact CG2-CG1 4.05Å; V266-V334 HydrophobicContact CG2-CG2 4.35Å
267	L	96.1	Very high	94.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.6	175.2	-60.7	-179.7	0	0	0	110	H230 A232 V253 L265 F270 I312 A316 I325 I326 L327 A328	H230-L267 CarbonylContact O-C 3.59Å; H230-L267 WeakPolarHBondContact O-CA 3.21Å; A232-L267 HydrophobicContact CB-CD1 4.4Å; A232-L267 HydrophobicContact CB-CD2 4.09Å; V253-L267 HydrophobicContact CB-CD2 4.4Å; V253-L267 HydrophobicContact CG1-CD2 3.78Å; L265-L267 HydrophobicContact CD1-CD2 4.01Å; L265-L267 HydrophobicContact CD2-CD2 3.91Å; L265-L267 HydrophobicContact CD2-CG 4.31Å; L265-L267 HydrophobicContact CG-CD2 3.86Å; L265-L267 HydrophobicContact CG-CG 4.17Å; L267-F270 HydrophobicContact CB-CE1 3.88Å; L267-F270 HydrophobicContact CB-CZ 3.83Å; L267-F270 WeakPolarHBondContact O-CZ 3.29Å; L267-I312 HydrophobicContact CD1-CG2 4.25Å; L267-A316 HydrophobicContact CD1-CB 4.05Å; L267-I325 HydrophobicContact CD1-CG2 4.14Å; L267-I325 HydrophobicContact CG-CG2 4.46Å; L267-I326 PolarHBondContact N-O 3.38Å; L267-L327 HydrophobicContact CB-CD2 3.95Å; L267-L327 HydrophobicContact CD1-CD2 4.06Å; L267-A328 PolarHBondContact O-N 3.36Å
268	T	95	Very high	92.8	Very high	25 Å²	25	55 Å²	55	15%	0.153	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-169.3	-180	-165	0	0	0	0	111.7	V229 H230 E231 A232 F270 A328	V229-T268 HydrophobicContact CG1-CG2 4.07Å; H230-T268 PolarHBondContact O-N 2.83Å; E231-T268 WeakPolarHBondContact CA-O 3.36Å; A232-T268 PolarHBondContact N-O 3.38Å; A232-T268 VanDerWaalsContact N-O 3.1Å; T268-F270 VanDerWaalsContact C-N 3.33Å; T268-F270 PolarHBondContact O-N 3.19Å; T268-A328 PolarHBondContact OG1-O 3.37Å; T268-A328 VanDerWaalsContact OG1-O 3.09Å
269	H	93.3	Very high	90.7	Very high	70 Å²	70	57.3 Å²	57.3	32%	0.324	28%	0.28	S	S	.	.			trans	54.5	46	176.7	-165.6	69.8	0	0	0	113.1	D200 E231 T233 H247	D200-H269 IonicContact OD1-CD2 2.79Å; D200-H269 PolarHBondContact OD1-CD2 2.78Å; D200-H269 IonicContact OD1-CE1 2.89Å; D200-H269 IonicContact OD1-CG 3.57Å; D200-H269 IonicContact OD1-ND1 3.9Å; D200-H269 IonicContact OD1-NE2 3.29Å; D200-H269 PolarHBondContact OD1-NE2 3.17Å; D200-H269 IonicContact OD2-CE1 3.97Å; D200-H269 IonicContact OD2-NE2 3.93Å; E231-H269 HydrophobicContact CB-CB 3.73Å; T233-H269 VanDerWaalsContact CA-O 3.31Å; T233-H269 WeakPolarHBondContact CA-O 3.32Å; T233-H269 WeakPolarHBondContact CB-O 3.14Å; T233-H269 PolarHBondContact OG1-CD2 3.28Å; T233-H269 VanDerWaalsContact OG1-CD2 3.28Å; T233-H269 PolarHBondContact OG1-O 2.76Å; H247-H269 AromaticContact CE1-CD2 3.84Å; H247-H269 AromaticContact CE1-NE2 3.37Å; H247-H269 PolarHBondContact CE1-NE2 3.28Å; H247-H269 AromaticContact ND1-CD2 3.92Å; H247-H269 AromaticContact ND1-NE2 3.92Å
270	F	94.1	Very high	88.3	Confident	35 Å²	35	56.1 Å²	56.1	15%	0.154	28%	0.281	C	S	.	.			trans	-75	142.2	-179.9	-48.9	-64.8	0	0	0	111.6	A232 L267 T268 H272 L309 I312 L327	A232-F270 WeakPolarHBondContact O-CD1 3.32Å; L267-F270 HydrophobicContact CB-CE1 3.88Å; L267-F270 HydrophobicContact CB-CZ 3.83Å; L267-F270 WeakPolarHBondContact O-CZ 3.29Å; T268-F270 VanDerWaalsContact C-N 3.33Å; T268-F270 PolarHBondContact O-N 3.19Å; F270-H272 PolarHBondContact O-N 3.18Å; F270-L309 HydrophobicContact CB-CD1 3.73Å; F270-L309 HydrophobicContact CD1-CD1 3.6Å; F270-L309 HydrophobicContact CD2-CD1 3.95Å; F270-L309 HydrophobicContact CD2-CD2 3.65Å; F270-L309 HydrophobicContact CD2-CG 4.44Å; F270-L309 HydrophobicContact CE1-CD1 4.13Å; F270-L309 HydrophobicContact CE2-CD1 4.45Å; F270-L309 HydrophobicContact CE2-CD2 3.78Å; F270-L309 HydrophobicContact CG-CD1 3.47Å; F270-L309 VanDerWaalsContact CG-CD1 3.47Å; F270-L309 HydrophobicContact CG-CD2 4.09Å; F270-L309 HydrophobicContact CG-CG 4.41Å; F270-L309 HydrophobicContact CZ-CD2 4.31Å; F270-I312 HydrophobicContact CD1-CD1 3.86Å; F270-I312 HydrophobicContact CD1-CG2 4.4Å; F270-I312 HydrophobicContact CE1-CD1 4.45Å; F270-I312 HydrophobicContact CE1-CG2 4.02Å; F270-L327 HydrophobicContact CE1-CD2 4.2Å; F270-L327 HydrophobicContact CE2-CB 4.34Å; F270-L327 HydrophobicContact CZ-CB 4.1Å; F270-L327 HydrophobicContact CZ-CD2 3.76Å; F270-L327 HydrophobicContact CZ-CG 4.43Å
271	S	93.2	Very high	85.7	Confident	37 Å²	37	62.6 Å²	62.6	26%	0.259	32%	0.316	S	S	.	.			trans	-59.3	137.9	173.4	177.5	0	0	0	0	111.5	T233 R273 Y274	T233-S271 WeakPolarHBondContact O-CB 3.4Å; T233-S271 PolarHBondContact O-N 3.46Å; S271-R273 PolarHBondContact O-N 3.27Å; S271-R273 WeakPolarHBondContact OG-CG 3.31Å; S271-R273 PolarHBondContact OG-N 3.24Å; S271-Y274 WeakPolarHBondContact O-CD2 3.49Å; S271-Y274 PolarHBondContact O-N 2.97Å; S271-Y274 VanDerWaalsContact O-N 3.08Å
272	H	90.9	Very high	83.1	Confident	174 Å²	174	65.4 Å²	65.4	81%	0.806	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-6.1	173.9	-66.9	-65.1	0	0	0	114.7	F270 Y274 K306	F270-H272 PolarHBondContact O-N 3.18Å; H272-Y274 PolarHBondContact O-N 3.06Å; H272-K306 PolarHBondContact O-NZ 2.62Å
273	R	92.7	Very high	80	Confident	97 Å²	97	69.4 Å²	69.4	37%	0.366	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.9	172.6	75.4	-175.3	-70.4	153.9	-3.8	112.8	L234 S271 K306	L234-R273 VanDerWaalsContact CD2-CD 3.48Å; S271-R273 PolarHBondContact O-N 3.27Å; S271-R273 WeakPolarHBondContact OG-CG 3.31Å; S271-R273 PolarHBondContact OG-N 3.24Å; R273-K306 VanDerWaalsContact O-CB 3.26Å; R273-K306 WeakPolarHBondContact O-CB 3.41Å; R273-K306 WeakPolarHBondContact O-CD 3.49Å; R273-K306 VanDerWaalsContact O-CG 3.27Å; R273-K306 WeakPolarHBondContact O-CG 3.32Å
274	Y	92.2	Very high	77	Confident	14 Å²	14	71.9 Å²	71.9	6%	0.055	37%	0.37	C	S	.	.	S	Bend	trans	-88	137.4	-178.7	-57.6	-74	0	0	0	110.6	L234 D235 S271 H272 P307 L309 I311 I312	L234-Y274 HydrophobicContact CD2-CE2 4.24Å; D235-Y274 HydrophobicContact CB-CE1 4.46Å; D235-Y274 WeakPolarHBondContact CB-OH 3.29Å; D235-Y274 PolarHBondContact N-OH 3.37Å; D235-Y274 PolarHBondContact OD2-OH 2.9Å; S271-Y274 WeakPolarHBondContact O-CD2 3.49Å; S271-Y274 PolarHBondContact O-N 2.97Å; S271-Y274 VanDerWaalsContact O-N 3.08Å; H272-Y274 PolarHBondContact O-N 3.06Å; Y274-P307 CarbonylContact C-O 3.44Å; Y274-P307 WeakPolarHBondContact CA-O 3.42Å; Y274-P307 HydrophobicContact CD1-CB 3.97Å; Y274-P307 HydrophobicContact CD1-CG 3.63Å; Y274-P307 HydrophobicContact CE1-CB 4.14Å; Y274-P307 HydrophobicContact CE1-CG 3.74Å; Y274-L309 HydrophobicContact CD2-CD1 4.31Å; Y274-L309 HydrophobicContact CG-CD1 4.22Å; Y274-I311 HydrophobicContact CD1-CG2 4.07Å; Y274-I311 HydrophobicContact CE1-CG2 3.73Å; Y274-I312 HydrophobicContact CD2-CD1 4.02Å; Y274-I312 HydrophobicContact CE2-CD1 3.79Å
275	D	90.6	Very high	74	Confident	56 Å²	56	78.4 Å²	78.4	30%	0.299	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-78.8	137.9	164	-85.1	-19.9	0	0	0	108.7	K306 P307 L309	D275-K306 HydrophobicContact CB-CB 4.25Å; D275-K306 WeakPolarHBondContact OD1-CD 3.43Å; D275-P307 PolarHBondContact N-O 3Å; D275-L309 WeakPolarHBondContact O-CB 3.39Å; D275-L309 PolarHBondContact O-N 2.77Å
276	R	86.4	Confident	70.8	Confident	146 Å²	146	86 Å²	86	55%	0.551	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-66.2	153.2	179	-66.9	-170.9	179.4	173.8	-0.6	110.1	D278 D329	R276-D278 PolarHBondContact O-N 2.94Å; R276-D278 VanDerWaalsContact O-N 3.1Å; R276-D329 WeakPolarHBondContact CD-OD1 3.23Å; R276-D329 IonicContact CZ-OD1 3.72Å; R276-D329 IonicContact CZ-OD2 3.58Å; R276-D329 IonicContact NE-OD1 2.76Å; R276-D329 PolarHBondContact NE-OD1 2.87Å; R276-D329 IonicContact NE-OD2 2.65Å; R276-D329 IonicContact NH1-OD1 3.36Å; R276-D329 PolarHBondContact NH1-OD1 3.29Å; R276-D329 IonicContact NH1-OD2 2.78Å; R276-D329 PolarHBondContact NH1-OD2 2.75Å; R276-D329 IonicContact NH2-OD1 2.77Å; R276-D329 PolarHBondContact NH2-OD1 2.76Å
277	I	82.2	Confident	67.6	Low	68 Å²	68	92.3 Å²	92.3	35%	0.349	47%	0.47	S	S	.	.			trans	-70.7	108.2	171.7	-58.2	162.4	0	0	0	106	S279 L309 Q310 L313 L327	I277-S279 PolarHBondContact O-N 3.36Å; I277-L309 HydrophobicContact CG1-CB 4.34Å; I277-Q310 HydrophobicContact CD1-CB 4.34Å; I277-Q310 VanDerWaalsContact CD1-OE1 3.28Å; I277-Q310 HydrophobicContact CG1-CB 4.26Å; I277-L313 HydrophobicContact CD1-CD2 4.48Å; I277-L327 HydrophobicContact CD1-CD1 3.55Å
278	D	70.6	Confident	64.5	Low	123 Å²	123	102.1 Å²	102.1	66%	0.658	51%	0.513	S	S	*	.			trans	-58.5	127.6	172.5	-74.2	-32.2	0	0	0	107.8	R276 S280	R276-D278 PolarHBondContact O-N 2.94Å; R276-D278 VanDerWaalsContact O-N 3.1Å; D278-S280 WeakPolarHBondContact CB-OG 3.46Å; D278-S280 PolarHBondContact O-N 3.34Å
279	S	54.4	Low	61.5	Low	93 Å²	93	107.7 Å²	107.7	65%	0.65	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	16.8	171.3	66.5	0	0	0	0	112.4	I277 D281 E282	I277-S279 PolarHBondContact O-N 3.36Å; S279-D281 PolarHBondContact O-N 2.85Å; S279-D281 VanDerWaalsContact O-N 3.16Å; S279-E282 PolarHBondContact O-N 2.9Å
280	S	45.5	Very low	58.4	Low	64 Å²	64	108.1 Å²	108.1	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-63.1	-16	178.5	48	0	0	0	0	113	D278 E282 N283	D278-S280 WeakPolarHBondContact CB-OG 3.46Å; D278-S280 PolarHBondContact O-N 3.34Å; S280-E282 VanDerWaalsContact C-N 3.26Å; S280-E282 PolarHBondContact O-N 2.56Å; S280-N283 PolarHBondContact O-N 2.89Å; S280-N283 VanDerWaalsContact O-N 3.08Å
281	D	43.4	Very low	55.5	Low	137 Å²	137	115.2 Å²	115.2	73%	0.733	60%	0.597	S	S	*	*	H	α-helix	trans	-71.4	-17.8	169.9	-76.1	-15.2	0	0	0	113.3	S279	S279-D281 PolarHBondContact O-N 2.85Å; S279-D281 VanDerWaalsContact O-N 3.16Å
282	E	40.7	Very low	52.4	Low	153 Å²	153	122.7 Å²	122.7	72%	0.715	63%	0.628	S	S	*	*	H	α-helix	trans	-78.3	-23.4	166.1	-71.8	-164.8	158.1	0	0	112.5	S279 S280 T284 I285	S279-E282 PolarHBondContact O-N 2.9Å; S280-E282 VanDerWaalsContact C-N 3.26Å; S280-E282 PolarHBondContact O-N 2.56Å; E282-T284 VanDerWaalsContact C-N 3.27Å; E282-T284 PolarHBondContact O-N 3.08Å; E282-I285 PolarHBondContact O-N 3.16Å
283	N	33.5	Very low	49.5	Very low	84 Å²	84	118.2 Å²	118.2	45%	0.449	62%	0.621	S	S	.	*	H	α-helix	trans	-76.6	-10.4	179.5	-94.6	-12.1	0	0	0	114.1	S280 I285 K286 N287	S280-N283 PolarHBondContact O-N 2.89Å; S280-N283 VanDerWaalsContact O-N 3.08Å; N283-I285 PolarHBondContact O-N 2.98Å; N283-K286 PolarHBondContact O-N 3.01Å; N283-K286 VanDerWaalsContact O-N 3.07Å; N283-N287 PolarHBondContact O-N 3.1Å
284	T	32.5	Very low	46.3	Very low	114 Å²	114	121.3 Å²	121.3	70%	0.699	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-18.2	167.7	-56	0	0	0	0	111.7	E282	E282-T284 VanDerWaalsContact C-N 3.27Å; E282-T284 PolarHBondContact O-N 3.08Å
285	I	33	Very low	43.3	Very low	152 Å²	152	130.4 Å²	130.4	78%	0.779	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-19.2	174.2	-57.1	-179.9	0	0	0	112.4	E282 N283	E282-I285 PolarHBondContact O-N 3.16Å; N283-I285 PolarHBondContact O-N 2.98Å
286	K	30.6	Very low	40.3	Very low	159 Å²	159	132.5 Å²	132.5	69%	0.691	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-12.4	-175.8	-75.6	-173.2	177.5	175.7	0	116.3	N283 K288 I289	N283-K286 PolarHBondContact O-N 3.01Å; N283-K286 VanDerWaalsContact O-N 3.07Å; K286-K288 PolarHBondContact O-N 2.93Å; K286-I289 PolarHBondContact O-N 3.02Å
287	N	28.9	Very low	37.5	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	26.1	-179.3	-82.3	-10.9	0	0	0	116.2	N283	N283-N287 PolarHBondContact O-N 3.1Å
288	K	30.1	Very low	34.9	Very low	207 Å²	207	138.9 Å²	138.9	90%	0.9	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	5.7	164	-90.9	-168.1	177.2	-178.9	0	114.6	K286	K286-K288 PolarHBondContact O-N 2.93Å
289	I	32.2	Very low	33	Very low	142 Å²	142	137.7 Å²	137.7	73%	0.728	74%	0.736	S	S	*	*	S	Bend	trans	-124.1	104.6	175.1	-56	177.9	0	0	0	107.5	K286 E291	K286-I289 PolarHBondContact O-N 3.02Å; I289-E291 PolarHBondContact O-N 3.07Å
290	G	28.7	Very low	32.1	Very low	79 Å²	79	143.1 Å²	143.1	81%	0.814	75%	0.748	S	S	*	*			trans	-66.9	117.3	-179.6	0	0	0	0	0	110.7
291	E	33.6	Very low	31.9	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	76%	0.757	S	S	*	*			trans	-142.7	124.7	161.5	-105.3	173.7	-174.5	0	0	109	I289 A293	I289-E291 PolarHBondContact O-N 3.07Å; E291-A293 PolarHBondContact O-N 2.55Å; E291-A293 VanDerWaalsContact O-N 3.16Å
292	Q	27.7	Very low	32	Very low	194 Å²	194	145.5 Å²	145.5	91%	0.907	76%	0.763	S	S	*	*			trans	-70.7	100.9	-179	-67.4	172.5	-4.6	0	0	109.4
293	A	29.5	Very low	32.6	Very low	79 Å²	79	146.1 Å²	146.1	65%	0.653	76%	0.763	S	S	*	*			trans	-104.4	101.1	169.3	0	0	0	0	0	110.1	E291 Y295	E291-A293 PolarHBondContact O-N 2.55Å; E291-A293 VanDerWaalsContact O-N 3.16Å; A293-Y295 HydrophobicContact CB-CD2 4.12Å; A293-Y295 HydrophobicContact CB-CE2 4.11Å; A293-Y295 PolarHBondContact O-N 3.29Å; A293-Y295 VanDerWaalsContact O-N 3.12Å
294	I	26.1	Very low	33.8	Very low	162 Å²	162	151.1 Å²	151.1	83%	0.831	78%	0.781	S	S	*	*			trans	-69.3	96.9	171.9	-61.3	163.6	0	0	0	107.6
295	Y	30	Very low	35.9	Very low	205 Å²	205	153.9 Å²	153.9	80%	0.804	79%	0.791	S	S	*	*			trans	-103.4	115.5	165.6	-83	-80.9	0	0	0	110.4	A293 N297	A293-Y295 HydrophobicContact CB-CD2 4.12Å; A293-Y295 HydrophobicContact CB-CE2 4.11Å; A293-Y295 PolarHBondContact O-N 3.29Å; A293-Y295 VanDerWaalsContact O-N 3.12Å; Y295-N297 PolarHBondContact O-N 3.21Å
296	S	26.7	Very low	38.5	Very low	101 Å²	101	151.1 Å²	151.1	71%	0.706	77%	0.774	S	S	*	*			trans	-43.6	122.8	172.8	47.6	0	0	0	0	113.4	K298	S296-K298 PolarHBondContact O-N 3.41Å
297	N	27.1	Very low	41.3	Very low	158 Å²	158	146 Å²	146	85%	0.845	76%	0.757	S	S	*	*			trans	-62.5	93.6	168.5	-82.6	-36.8	0	0	0	110.6	Y295 S299	Y295-N297 PolarHBondContact O-N 3.21Å; N297-S299 PolarHBondContact O-N 3.15Å
298	K	28.2	Very low	44.4	Very low	190 Å²	190	142.1 Å²	142.1	83%	0.826	74%	0.74	S	S	*	*			trans	-69.1	112.1	161.5	-94.1	-179.1	175.7	175.7	0	108.7	S296 K300	S296-K298 PolarHBondContact O-N 3.41Å; K298-K300 PolarHBondContact O-N 2.9Å
299	S	31.3	Very low	47.4	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	70%	0.699	S	S	*	*			trans	10.7	99.7	157.6	55.3	0	0	0	0	116.1	N297 S301	N297-S299 PolarHBondContact O-N 3.15Å; S299-S301 PolarHBondContact O-N 3.42Å
300	K	35.4	Very low	50.3	Low	207 Å²	207	128.8 Å²	128.8	90%	0.9	68%	0.678	S	S	*	*			trans	-70.2	73.4	164.3	-72.6	179.1	175.5	177.2	0	109.8	K298	K298-K300 PolarHBondContact O-N 2.9Å
301	S	40.6	Very low	53.4	Low	92 Å²	92	127.9 Å²	127.9	64%	0.643	65%	0.654	S	S	*	*			trans	-85.7	108	165.3	56.7	0	0	0	0	108.2	S299 K303	S299-S301 PolarHBondContact O-N 3.42Å; S301-K303 VanDerWaalsContact C-N 3.33Å; S301-K303 PolarHBondContact O-N 3.48Å
302	D	46.5	Very low	56.3	Low	159 Å²	159	119 Å²	119	85%	0.85	61%	0.613	S	S	*	*			trans	34.3	52.5	160.7	-62	-23.9	0	0	0	116.9	K304	D302-K304 PolarHBondContact O-N 2.96Å
303	K	51.6	Low	59.5	Low	166 Å²	166	110.8 Å²	110.8	72%	0.722	58%	0.575	S	S	*	*			trans	-64.1	87.9	159.9	-83	-165.4	175.6	-164	0	107	S301 N305	S301-K303 VanDerWaalsContact C-N 3.33Å; S301-K303 PolarHBondContact O-N 3.48Å; K303-N305 PolarHBondContact O-N 3.23Å
304	K	60.1	Low	62.7	Low	188 Å²	188	111.2 Å²	111.2	82%	0.817	57%	0.566	S	S	*	*			trans	-41.8	126.3	153	-80	-178.7	174.9	177.9	0	105.9	D302 K306	D302-K304 PolarHBondContact O-N 2.96Å; K304-K306 VanDerWaalsContact C-N 3.32Å; K304-K306 PolarHBondContact O-N 3.25Å
305	N	76.5	Confident	66	Low	173 Å²	173	105.1 Å²	105.1	93%	0.925	53%	0.534	S	S	*	.			trans	-52.8	97.4	-178.7	-125.6	13.2	0	0	0	108.3	K303	K303-N305 PolarHBondContact O-N 3.23Å
306	K	86.5	Confident	69.2	Low	93 Å²	93	95.3 Å²	95.3	40%	0.404	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-74.6	136.4	179.6	-80.9	-176.2	176.3	-169	0	107.3	H272 R273 D275 K304	H272-K306 PolarHBondContact O-NZ 2.62Å; R273-K306 VanDerWaalsContact O-CB 3.26Å; R273-K306 WeakPolarHBondContact O-CB 3.41Å; R273-K306 WeakPolarHBondContact O-CD 3.49Å; R273-K306 VanDerWaalsContact O-CG 3.27Å; R273-K306 WeakPolarHBondContact O-CG 3.32Å; D275-K306 HydrophobicContact CB-CB 4.25Å; D275-K306 WeakPolarHBondContact OD1-CD 3.43Å; K304-K306 VanDerWaalsContact C-N 3.32Å; K304-K306 PolarHBondContact O-N 3.25Å
307	P	90.7	Very high	72.4	Confident	53 Å²	53	96.6 Å²	96.6	34%	0.344	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-58.8	143.6	172.1	24.8	-32.9	0	0	0	109.8	Y274 D275	Y274-P307 CarbonylContact C-O 3.44Å; Y274-P307 WeakPolarHBondContact CA-O 3.42Å; Y274-P307 HydrophobicContact CD1-CB 3.97Å; Y274-P307 HydrophobicContact CD1-CG 3.63Å; Y274-P307 HydrophobicContact CE1-CB 4.14Å; Y274-P307 HydrophobicContact CE1-CG 3.74Å; D275-P307 PolarHBondContact N-O 3Å
308	S	92.9	Very high	75.6	Confident	53 Å²	53	93.6 Å²	93.6	37%	0.371	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-71.1	144.4	173.4	175.1	0	0	0	0	110.2	Q310 I311	S308-Q310 PolarHBondContact O-N 2.87Å; S308-Q310 VanDerWaalsContact O-N 3.08Å; S308-Q310 WeakPolarHBondContact OG-CB 3.38Å; S308-Q310 PolarHBondContact OG-N 3.45Å; S308-Q310 VanDerWaalsContact OG-N 3.16Å; S308-I311 VanDerWaalsContact O-CG2 3.26Å; S308-I311 WeakPolarHBondContact O-CG2 3.25Å; S308-I311 PolarHBondContact O-N 3.08Å
309	L	92.6	Very high	78.7	Confident	9 Å²	9	86.7 Å²	86.7	5%	0.047	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-17	171.3	-172.3	65.2	0	0	0	112.6	F270 Y274 D275 I277 I311 I312 L327	F270-L309 HydrophobicContact CB-CD1 3.73Å; F270-L309 HydrophobicContact CD1-CD1 3.6Å; F270-L309 HydrophobicContact CD2-CD1 3.95Å; F270-L309 HydrophobicContact CD2-CD2 3.65Å; F270-L309 HydrophobicContact CD2-CG 4.44Å; F270-L309 HydrophobicContact CE1-CD1 4.13Å; F270-L309 HydrophobicContact CE2-CD1 4.45Å; F270-L309 HydrophobicContact CE2-CD2 3.78Å; F270-L309 HydrophobicContact CG-CD1 3.47Å; F270-L309 VanDerWaalsContact CG-CD1 3.47Å; F270-L309 HydrophobicContact CG-CD2 4.09Å; F270-L309 HydrophobicContact CG-CG 4.41Å; F270-L309 HydrophobicContact CZ-CD2 4.31Å; Y274-L309 HydrophobicContact CD2-CD1 4.31Å; Y274-L309 HydrophobicContact CG-CD1 4.22Å; D275-L309 WeakPolarHBondContact O-CB 3.39Å; D275-L309 PolarHBondContact O-N 2.77Å; I277-L309 HydrophobicContact CG1-CB 4.34Å; L309-I311 PolarHBondContact O-N 2.77Å; L309-I311 VanDerWaalsContact O-N 3.1Å; L309-I312 HydrophobicContact CD1-CB 4.26Å; L309-I312 HydrophobicContact CD1-CD1 3.62Å; L309-I312 HydrophobicContact CD1-CG1 4.07Å; L309-I312 WeakPolarHBondContact O-CB 3.26Å; L309-I312 PolarHBondContact O-N 3.38Å; L309-L327 HydrophobicContact CD2-CD1 3.99Å; L309-L327 HydrophobicContact CG-CD1 3.96Å
310	Q	93.2	Very high	81.7	Confident	60 Å²	60	89.8 Å²	89.8	28%	0.28	46%	0.462	S	S	.	.	H	α-helix	trans	-51.4	-32	172.8	-170.9	60	45.7	0	0	112.9	I277 S308 I312 L313 D314	I277-Q310 HydrophobicContact CD1-CB 4.34Å; I277-Q310 VanDerWaalsContact CD1-OE1 3.28Å; I277-Q310 HydrophobicContact CG1-CB 4.26Å; S308-Q310 PolarHBondContact O-N 2.87Å; S308-Q310 VanDerWaalsContact O-N 3.08Å; S308-Q310 WeakPolarHBondContact OG-CB 3.38Å; S308-Q310 PolarHBondContact OG-N 3.45Å; S308-Q310 VanDerWaalsContact OG-N 3.16Å; Q310-I312 VanDerWaalsContact C-N 3.26Å; Q310-I312 PolarHBondContact O-N 3.26Å; Q310-L313 WeakPolarHBondContact O-CB 3.35Å; Q310-L313 PolarHBondContact O-N 2.95Å; Q310-L313 VanDerWaalsContact O-N 3.12Å; Q310-D314 PolarHBondContact NE2-OD1 3.36Å; Q310-D314 VanDerWaalsContact O-CG 3.24Å; Q310-D314 PolarHBondContact O-N 3.16Å
311	I	95.2	Very high	84.5	Confident	60 Å²	60	81.4 Å²	81.4	31%	0.308	43%	0.426	S	S	.	.	H	α-helix	trans	-58.6	-37.9	177.4	-166.6	171.1	0	0	0	112.7	D235 Y274 S308 L309 D314 Q315	D235-I311 HydrophobicContact CB-CD1 4.21Å; D235-I311 HydrophobicContact CB-CG1 4.29Å; D235-I311 HydrophobicContact CB-CG2 3.97Å; Y274-I311 HydrophobicContact CD1-CG2 4.07Å; Y274-I311 HydrophobicContact CE1-CG2 3.73Å; S308-I311 VanDerWaalsContact O-CG2 3.26Å; S308-I311 WeakPolarHBondContact O-CG2 3.25Å; S308-I311 PolarHBondContact O-N 3.08Å; L309-I311 PolarHBondContact O-N 2.77Å; L309-I311 VanDerWaalsContact O-N 3.1Å; I311-D314 PolarHBondContact O-N 3.19Å; I311-Q315 WeakPolarHBondContact O-CB 3.23Å; I311-Q315 VanDerWaalsContact O-CG 3.25Å; I311-Q315 WeakPolarHBondContact O-CG 3.49Å; I311-Q315 PolarHBondContact O-N 2.76Å
312	I	94.5	Very high	86.9	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-68.3	-41.7	178.7	-63	-164.6	0	0	0	109.7	A232 D235 P250 L267 F270 Y274 L309 Q310 A316	A232-I312 HydrophobicContact CB-CG2 4.2Å; A232-I312 WeakPolarHBondContact O-CD1 3.3Å; D235-I312 HydrophobicContact CB-CG1 4.36Å; P250-I312 HydrophobicContact CG-CB 4.24Å; P250-I312 HydrophobicContact CG-CG2 3.68Å; L267-I312 HydrophobicContact CD1-CG2 4.25Å; F270-I312 HydrophobicContact CD1-CD1 3.86Å; F270-I312 HydrophobicContact CD1-CG2 4.4Å; F270-I312 HydrophobicContact CE1-CD1 4.45Å; F270-I312 HydrophobicContact CE1-CG2 4.02Å; Y274-I312 HydrophobicContact CD2-CD1 4.02Å; Y274-I312 HydrophobicContact CE2-CD1 3.79Å; L309-I312 HydrophobicContact CD1-CB 4.26Å; L309-I312 HydrophobicContact CD1-CD1 3.62Å; L309-I312 HydrophobicContact CD1-CG1 4.07Å; L309-I312 WeakPolarHBondContact O-CB 3.26Å; L309-I312 PolarHBondContact O-N 3.38Å; Q310-I312 VanDerWaalsContact C-N 3.26Å; Q310-I312 PolarHBondContact O-N 3.26Å; I312-A316 WeakPolarHBondContact O-CB 3.49Å; I312-A316 PolarHBondContact O-N 2.83Å
313	L	94.4	Very high	89.1	Confident	20 Å²	20	76.3 Å²	76.3	11%	0.105	41%	0.406	C	S	.	.	H	α-helix	trans	-65.9	-43.4	177	-175	56.2	0	0	0	112	I277 Q310 A316 K317 I325 L327	I277-L313 HydrophobicContact CD1-CD2 4.48Å; Q310-L313 WeakPolarHBondContact O-CB 3.35Å; Q310-L313 PolarHBondContact O-N 2.95Å; Q310-L313 VanDerWaalsContact O-N 3.12Å; L313-A316 PolarHBondContact O-N 2.9Å; L313-K317 HydrophobicContact CD1-CD 4.14Å; L313-K317 HydrophobicContact CD1-CG 4.26Å; L313-K317 HydrophobicContact CG-CD 4.1Å; L313-K317 WeakPolarHBondContact O-CB 3.39Å; L313-K317 WeakPolarHBondContact O-CG 3.2Å; L313-K317 PolarHBondContact O-N 3.1Å; L313-I325 HydrophobicContact CD1-CB 4.37Å; L313-I325 HydrophobicContact CD1-CG2 3.84Å; L313-L327 HydrophobicContact CB-CD1 3.81Å; L313-L327 HydrophobicContact CB-CD2 4.38Å; L313-L327 HydrophobicContact CB-CG 4.3Å; L313-L327 HydrophobicContact CD1-CD2 4.31Å; L313-L327 HydrophobicContact CD1-CG 4.24Å; L313-L327 HydrophobicContact CD2-CD1 4.21Å; L313-L327 HydrophobicContact CG-CD1 4.43Å
314	D	95.8	Very high	91.1	Very high	88 Å²	88	73.5 Å²	73.5	47%	0.471	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-42.7	179.6	-67.9	-16.6	0	0	0	111.1	Q310 I311 K317 S318	Q310-D314 PolarHBondContact NE2-OD1 3.36Å; Q310-D314 VanDerWaalsContact O-CG 3.24Å; Q310-D314 PolarHBondContact O-N 3.16Å; I311-D314 PolarHBondContact O-N 3.19Å; D314-K317 PolarHBondContact O-N 2.84Å; D314-S318 PolarHBondContact O-N 3.08Å
315	Q	96.8	Very high	92.8	Very high	34 Å²	34	65.9 Å²	65.9	16%	0.159	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-45.8	174.1	-76.9	172.7	-9.5	0	0	111.6	D235 P250 I311 K317 S318	D235-Q315 VanDerWaalsContact CA-OE1 3.26Å; D235-Q315 VanDerWaalsContact CB-OE1 3.28Å; P250-Q315 HydrophobicContact CB-CB 3.87Å; P250-Q315 HydrophobicContact CG-CB 4.09Å; I311-Q315 WeakPolarHBondContact O-CB 3.23Å; I311-Q315 VanDerWaalsContact O-CG 3.25Å; I311-Q315 WeakPolarHBondContact O-CG 3.49Å; I311-Q315 PolarHBondContact O-N 2.76Å; Q315-K317 VanDerWaalsContact C-N 3.35Å; Q315-K317 PolarHBondContact O-N 3.44Å; Q315-S318 WeakPolarHBondContact O-CB 3.25Å; Q315-S318 PolarHBondContact O-N 3.19Å; Q315-S318 PolarHBondContact O-OG 2.78Å
316	A	95.7	Very high	93.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-45	176.6	0	0	0	0	0	111.7	P250 M254 L267 I312 L313 S318 T319 I325	P250-A316 HydrophobicContact CB-CB 4.32Å; M254-A316 WeakPolarHBondContact CE-O 3.28Å; M254-A316 HydrophobicContact CG-CB 4.05Å; M254-A316 HydrophobicContact SD-CB 3.84Å; L267-A316 HydrophobicContact CD1-CB 4.05Å; I312-A316 WeakPolarHBondContact O-CB 3.49Å; I312-A316 PolarHBondContact O-N 2.83Å; L313-A316 PolarHBondContact O-N 2.9Å; A316-S318 PolarHBondContact O-N 3.18Å; A316-T319 PolarHBondContact O-N 3.07Å; A316-I325 HydrophobicContact CB-CD1 4.01Å; A316-I325 HydrophobicContact CB-CG2 4.35Å
317	K	94.8	Very high	93.9	Very high	128 Å²	128	57.5 Å²	57.5	56%	0.557	33%	0.325	S	S	*	.	H	α-helix	trans	-71.3	-12.4	178.1	-75	-179.5	174.4	176.6	0	114.7	L313 D314 Q315 T319 I325	L313-K317 HydrophobicContact CD1-CD 4.14Å; L313-K317 HydrophobicContact CD1-CG 4.26Å; L313-K317 HydrophobicContact CG-CD 4.1Å; L313-K317 WeakPolarHBondContact O-CB 3.39Å; L313-K317 WeakPolarHBondContact O-CG 3.2Å; L313-K317 PolarHBondContact O-N 3.1Å; D314-K317 PolarHBondContact O-N 2.84Å; Q315-K317 VanDerWaalsContact C-N 3.35Å; Q315-K317 PolarHBondContact O-N 3.44Å; K317-T319 PolarHBondContact O-N 3.15Å; K317-I325 HydrophobicContact CG-CD1 4.09Å
318	S	94.5	Very high	93.8	Very high	94 Å²	94	55.2 Å²	55.2	66%	0.657	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.5	174.5	76.9	0	0	0	0	113.1	D314 Q315 A316	D314-S318 PolarHBondContact O-N 3.08Å; Q315-S318 WeakPolarHBondContact O-CB 3.25Å; Q315-S318 PolarHBondContact O-N 3.19Å; Q315-S318 PolarHBondContact O-OG 2.78Å; A316-S318 PolarHBondContact O-N 3.18Å
319	T	93.9	Very high	93.2	Very high	46 Å²	46	55.9 Å²	55.9	28%	0.282	31%	0.31	S	S	.	.	S	Bend	trans	-87.9	138.4	174	-55.1	0	0	0	0	110.3	M254 A316 K317 F321	M254-T319 HydrophobicContact CB-CG2 4.18Å; M254-T319 HydrophobicContact CE-CG2 4.43Å; A316-T319 PolarHBondContact O-N 3.07Å; K317-T319 PolarHBondContact O-N 3.15Å; T319-F321 PolarHBondContact O-N 2.79Å
320	D	93.1	Very high	92.2	Very high	162 Å²	162	61 Å²	61	87%	0.866	34%	0.338	S	S	*	.			trans	-65.2	97.1	172	-173.5	19.4	0	0	0	110.1
321	F	94.8	Very high	91.2	Very high	31 Å²	31	67.5 Å²	67.5	14%	0.136	37%	0.368	C	S	.	.			trans	-136.1	121.6	-174.2	-179.3	-111.3	0	0	0	109.3	M254 A257 V262 L265 T319 G323 I325	M254-F321 HydrophobicContact CE-CB 3.44Å; M254-F321 VanDerWaalsContact CE-CB 3.44Å; M254-F321 HydrophobicContact CE-CD1 3.78Å; M254-F321 HydrophobicContact CE-CD2 3.9Å; M254-F321 HydrophobicContact CE-CE1 4.47Å; M254-F321 HydrophobicContact CE-CG 3.44Å; M254-F321 VanDerWaalsContact CE-CG 3.44Å; A257-F321 HydrophobicContact CB-CD2 4.47Å; A257-F321 HydrophobicContact CB-CE2 3.88Å; A257-F321 HydrophobicContact CB-CZ 4.35Å; V262-F321 HydrophobicContact CB-CE2 4.02Å; V262-F321 HydrophobicContact CB-CZ 3.99Å; V262-F321 HydrophobicContact CG1-CZ 4.07Å; V262-F321 WeakPolarHBondContact O-CE2 3.39Å; V262-F321 WeakPolarHBondContact O-CZ 3.18Å; L265-F321 HydrophobicContact CB-CE1 4.26Å; L265-F321 HydrophobicContact CB-CZ 4.21Å; T319-F321 PolarHBondContact O-N 2.79Å; F321-G323 VanDerWaalsContact CD1-O 3.25Å; F321-G323 WeakPolarHBondContact CD1-O 3.4Å; F321-G323 VanDerWaalsContact CE1-O 3.29Å; F321-G323 WeakPolarHBondContact CE1-O 3.12Å; F321-I325 HydrophobicContact CD1-CD1 3.9Å; F321-I325 HydrophobicContact CD1-CG1 3.73Å; F321-I325 HydrophobicContact CE1-CD1 4.4Å; F321-I325 HydrophobicContact CE1-CG1 3.76Å
322	S	90.2	Very high	90.5	Very high	128 Å²	128	69 Å²	69	90%	0.895	38%	0.376	S	S	*	.			trans	-85.5	-9.6	-176	57.3	0	0	0	0	114
323	G	93	Very high	89.9	Confident	17 Å²	17	77.1 Å²	77.1	18%	0.175	42%	0.419	C	S	.	.	S	Bend	trans	-85.8	171.4	178.5	0	0	0	0	0	113.6	R263 F321	R263-G323 CarbonylContact O-C 3.42Å; R263-G323 WeakPolarHBondContact O-CA 3.37Å; F321-G323 VanDerWaalsContact CD1-O 3.25Å; F321-G323 WeakPolarHBondContact CD1-O 3.4Å; F321-G323 VanDerWaalsContact CE1-O 3.29Å; F321-G323 WeakPolarHBondContact CE1-O 3.12Å
324	D	94.8	Very high	89.5	Confident	106 Å²	106	78.5 Å²	78.5	57%	0.567	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	140.1	174.1	-64.6	-42.5	0	0	0	110.7	R263 Q264 L265	R263-D324 PolarHBondContact O-N 2.89Å; Q264-D324 CarbonylContact C-O 3.6Å; Q264-D324 WeakPolarHBondContact CA-O 3.19Å; L265-D324 PolarHBondContact N-O 3.49Å
325	I	95.7	Very high	89.2	Confident	29 Å²	29	83.1 Å²	83.1	15%	0.149	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.9	173.4	-56.8	170.6	0	0	0	108.6	M254 L265 L267 L313 A316 K317 F321	M254-I325 HydrophobicContact CE-CD1 3.88Å; M254-I325 HydrophobicContact SD-CD1 4Å; L265-I325 HydrophobicContact CB-CG1 4.5Å; L265-I325 CarbonylContact O-C 3.35Å; L265-I325 WeakPolarHBondContact O-CA 3.23Å; L267-I325 HydrophobicContact CD1-CG2 4.14Å; L267-I325 HydrophobicContact CG-CG2 4.46Å; L313-I325 HydrophobicContact CD1-CB 4.37Å; L313-I325 HydrophobicContact CD1-CG2 3.84Å; A316-I325 HydrophobicContact CB-CD1 4.01Å; A316-I325 HydrophobicContact CB-CG2 4.35Å; K317-I325 HydrophobicContact CG-CD1 4.09Å; F321-I325 HydrophobicContact CD1-CD1 3.9Å; F321-I325 HydrophobicContact CD1-CG1 3.73Å; F321-I325 HydrophobicContact CE1-CD1 4.4Å; F321-I325 HydrophobicContact CE1-CG1 3.76Å
326	I	93.2	Very high	88.8	Confident	51 Å²	51	85.1 Å²	85.1	26%	0.262	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.8	-179.2	-57.6	174.4	0	0	0	108.3	Q264 L265 V266 L267 L332 V334	Q264-I326 HydrophobicContact CG-CD1 3.88Å; L265-I326 PolarHBondContact O-N 3.43Å; V266-I326 CarbonylContact C-O 3.6Å; V266-I326 WeakPolarHBondContact CA-O 3.38Å; V266-I326 HydrophobicContact CG2-CB 4.43Å; L267-I326 PolarHBondContact N-O 3.38Å; I326-L332 HydrophobicContact CG2-CD2 4.27Å; I326-V334 HydrophobicContact CD1-CG1 4.03Å
327	L	92.7	Very high	88.4	Confident	38 Å²	38	86.2 Å²	86.2	20%	0.199	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121	164.9	-57.4	-175.3	0	0	0	108.3	L267 F270 I277 L309 L313	L267-L327 HydrophobicContact CB-CD2 3.95Å; L267-L327 HydrophobicContact CD1-CD2 4.06Å; F270-L327 HydrophobicContact CE1-CD2 4.2Å; F270-L327 HydrophobicContact CE2-CB 4.34Å; F270-L327 HydrophobicContact CZ-CB 4.1Å; F270-L327 HydrophobicContact CZ-CD2 3.76Å; F270-L327 HydrophobicContact CZ-CG 4.43Å; I277-L327 HydrophobicContact CD1-CD1 3.55Å; L309-L327 HydrophobicContact CD2-CD1 3.99Å; L309-L327 HydrophobicContact CG-CD1 3.96Å; L313-L327 HydrophobicContact CB-CD1 3.81Å; L313-L327 HydrophobicContact CB-CD2 4.38Å; L313-L327 HydrophobicContact CB-CG 4.3Å; L313-L327 HydrophobicContact CD1-CD2 4.31Å; L313-L327 HydrophobicContact CD1-CG 4.24Å; L313-L327 HydrophobicContact CD2-CD1 4.21Å; L313-L327 HydrophobicContact CG-CD1 4.43Å
328	A	88.2	Confident	87.8	Confident	5 Å²	5	84.6 Å²	84.6	4%	0.041	47%	0.465	C	S	.	.			trans	-112	124.5	-177.9	0	0	0	0	0	111.6	V266 L267 T268 L332	V266-A328 HydrophobicContact CG1-CB 3.42Å; V266-A328 VanDerWaalsContact CG1-CB 3.42Å; L267-A328 PolarHBondContact O-N 3.36Å; T268-A328 PolarHBondContact OG1-O 3.37Å; T268-A328 VanDerWaalsContact OG1-O 3.09Å; A328-L332 HydrophobicContact CB-CB 4.11Å; A328-L332 HydrophobicContact CB-CD2 3.68Å
329	D	79.6	Confident	87	Confident	68 Å²	68	81.3 Å²	81.3	36%	0.364	44%	0.441	S	S	.	.			trans	-66.8	158.6	159.5	-78.7	-22.3	0	0	0	110.4	R276 Q331 L332	R276-D329 WeakPolarHBondContact CD-OD1 3.23Å; R276-D329 IonicContact CZ-OD1 3.72Å; R276-D329 IonicContact CZ-OD2 3.58Å; R276-D329 IonicContact NE-OD1 2.76Å; R276-D329 PolarHBondContact NE-OD1 2.87Å; R276-D329 IonicContact NE-OD2 2.65Å; R276-D329 IonicContact NH1-OD1 3.36Å; R276-D329 PolarHBondContact NH1-OD1 3.29Å; R276-D329 IonicContact NH1-OD2 2.78Å; R276-D329 PolarHBondContact NH1-OD2 2.75Å; R276-D329 IonicContact NH2-OD1 2.77Å; R276-D329 PolarHBondContact NH2-OD1 2.76Å; D329-Q331 PolarHBondContact O-N 3.18Å; D329-L332 WeakPolarHBondContact O-CB 3.45Å; D329-L332 PolarHBondContact O-N 2.97Å
330	D	73.1	Confident	85.7	Confident	117 Å²	117	82.8 Å²	82.8	63%	0.626	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	136	172.1	-60.6	-28.3	0	0	0	110.2	L332	D330-L332 VanDerWaalsContact C-N 3.29Å; D330-L332 PolarHBondContact O-N 3.12Å
331	Q	72.2	Confident	84	Confident	195 Å²	195	84 Å²	84	91%	0.911	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	12.9	177.6	-46	172.1	8.2	0	0	115.7	D329 L333	D329-Q331 PolarHBondContact O-N 3.18Å; Q331-L333 PolarHBondContact O-N 3.16Å
332	L	79.2	Confident	83.4	Confident	92 Å²	92	86.7 Å²	86.7	48%	0.482	47%	0.466	S	S	.	.			trans	-61.4	129.7	172.2	-175.9	64.8	0	0	0	111.4	I326 A328 D329 D330 V334	I326-L332 HydrophobicContact CG2-CD2 4.27Å; A328-L332 HydrophobicContact CB-CB 4.11Å; A328-L332 HydrophobicContact CB-CD2 3.68Å; D329-L332 WeakPolarHBondContact O-CB 3.45Å; D329-L332 PolarHBondContact O-N 2.97Å; D330-L332 VanDerWaalsContact C-N 3.29Å; D330-L332 PolarHBondContact O-N 3.12Å; L332-V334 HydrophobicContact CD2-CG2 3.86Å; L332-V334 HydrophobicContact CG-CG2 3.97Å; L332-V334 PolarHBondContact O-N 2.92Å
333	L	83.2	Confident	83.1	Confident	170 Å²	170	84.5 Å²	84.5	89%	0.89	44%	0.443	S	S	*	.			trans	-81.7	111.3	168.6	-71.5	172.5	0	0	0	109.5	Q331	Q331-L333 PolarHBondContact O-N 3.16Å
334	V	85.8	Confident	82.5	Confident	49 Å²	49	88.2 Å²	88.2	30%	0.297	46%	0.458	S	S	.	.			trans	-104.2	128	177.5	-176.7	0	0	0	0	109.9	V266 I326 L332 I336	V266-V334 HydrophobicContact CG1-CG2 4.34Å; V266-V334 HydrophobicContact CG2-CG1 4.05Å; V266-V334 HydrophobicContact CG2-CG2 4.35Å; I326-V334 HydrophobicContact CD1-CG1 4.03Å; L332-V334 HydrophobicContact CD2-CG2 3.86Å; L332-V334 HydrophobicContact CG-CG2 3.97Å; L332-V334 PolarHBondContact O-N 2.92Å; V334-I336 PolarHBondContact O-N 3.45Å
335	K	88.6	Confident	81.8	Confident	186 Å²	186	87.2 Å²	87.2	81%	0.809	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-77.2	122.8	172.9	-172.9	179	179.5	-178.1	0	109.4	Q264	Q264-K335 PolarHBondContact NE2-O 3.39Å; Q264-K335 VanDerWaalsContact NE2-O 3.15Å
336	I	88.4	Confident	80.9	Confident	75 Å²	75	90.8 Å²	90.8	39%	0.385	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-66.3	128	174.1	-60.5	149.3	0	0	0	108.5	H193 I195 V334	H193-I336 WeakPolarHBondContact ND1-CG2 3.08Å; I195-I336 HydrophobicContact CD1-CD1 3.34Å; I195-I336 HydrophobicContact CD1-CG1 3.76Å; I195-I336 HydrophobicContact CD1-CG2 4.15Å; I195-I336 HydrophobicContact CG1-CG2 4.41Å; V334-I336 PolarHBondContact O-N 3.45Å
337	P	87	Confident	80.1	Confident	23 Å²	23	93.5 Å²	93.5	15%	0.149	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-65.3	147.8	180	28.5	-35.3	0	0	0	110.3	H193 T227 Q264	H193-P337 PolarHBondContact CE1-O 3.45Å; H193-P337 PolarHBondContact ND1-O 3.07Å; T227-P337 WeakPolarHBondContact OG1-CD 3.35Å; Q264-P337 HydrophobicContact CB-CG 4.03Å
338	P	83.3	Confident	79.2	Confident	95 Å²	95	97.4 Å²	97.4	62%	0.617	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-62.4	143	177.7	28.2	-34.5	0	0	0	110.5	T340	P338-T340 PolarHBondContact O-N 2.93Å
339	V	76.5	Confident	78.5	Confident	25 Å²	25	104.5 Å²	104.5	15%	0.152	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-69.1	118.4	172.7	-162.8	0	0	0	0	108.6	R191 H193	R191-V339 HydrophobicContact CB-CG1 3.79Å; R191-V339 HydrophobicContact CG-CG1 4.45Å; R191-V339 VanDerWaalsContact O-CG1 3.31Å; R191-V339 WeakPolarHBondContact O-CG1 3.31Å; R191-V339 WeakPolarHBondContact O-CG2 3.27Å; H193-V339 HydrophobicContact CB-CG2 4.24Å; H193-V339 WeakPolarHBondContact CE1-CG2 3.35Å; H193-V339 VanDerWaalsContact CG-CG2 3.41Å; H193-V339 VanDerWaalsContact ND1-CG2 3.29Å; H193-V339 WeakPolarHBondContact ND1-CG2 3.26Å
340	T	67	Low	78.4	Confident	77 Å²	77	107.6 Å²	107.6	47%	0.472	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-86.6	158.1	164.5	63.3	0	0	0	0	109.8	R263 P338	R263-T340 PolarHBondContact NH1-OG1 3.39Å; R263-T340 PolarHBondContact NH2-OG1 3.22Å; P338-T340 PolarHBondContact O-N 2.93Å
341	Q	57.2	Low	78.9	Confident	187 Å²	187	106.7 Å²	106.7	87%	0.874	55%	0.549	S	S	*	.			trans	-47.5	0	177.4	-71.3	175.9	-2.2	0	0	113.1	P188	P188-Q341 HydrophobicContact CB-CG 4.47Å

Retrieved 341 of 341 residues in 276 ms (Link to these results)

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