A0A087YI72_POEFO Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A087YI72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 317 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	34.8	Very low	49.1	Very low	233 Å²	233	106.3 Å²	106.3	100%	1.148	59%	0.585	S	S	*	*				0	104.9	0	-78.7	168.3	73.3	0	0	110.2
2	N	41.5	Very low	49	Very low	135 Å²	135	103.9 Å²	103.9	72%	0.722	57%	0.57	S	S	*	*			trans	65.3	87.4	150.9	-55.1	-3.5	0	0	0	119.3	L4	N2-L4 PolarHBondContact O-N 3.13Å; N2-L4 VanDerWaalsContact O-N 3.13Å
3	G	39.9	Very low	49.3	Very low	86 Å²	86	107.6 Å²	107.6	89%	0.887	58%	0.578	S	S	*	*			trans	-75.2	30.3	158.8	0	0	0	0	0	114.1
4	L	51.6	Low	49.2	Very low	74 Å²	74	106.7 Å²	106.7	39%	0.387	58%	0.582	S	S	.	*			trans	-89.9	121.5	174.8	-71.6	169.3	0	0	0	108.8	N2 E8 L9 L26	N2-L4 PolarHBondContact O-N 3.13Å; N2-L4 VanDerWaalsContact O-N 3.13Å; L4-E8 WeakPolarHBondContact CA-OE2 3.25Å; L4-E8 HydrophobicContact CD2-CB 4.46Å; L4-L9 HydrophobicContact CB-CD1 4.26Å; L4-L9 HydrophobicContact CD1-CD1 4.25Å; L4-L26 HydrophobicContact CD2-CD1 3.96Å; L4-L26 HydrophobicContact CD2-CD2 4.36Å
5	S	58.3	Low	48.9	Very low	63 Å²	63	104.7 Å²	104.7	44%	0.441	58%	0.578	S	S	.	*			trans	-62.1	143.9	172.9	172.6	0	0	0	0	110	K7 E8 L9	S5-K7 PolarHBondContact O-N 2.73Å; S5-K7 PolarHBondContact OG-N 3.15Å; S5-E8 PolarHBondContact N-OE2 3.16Å; S5-E8 WeakPolarHBondContact O-CA 3.31Å; S5-E8 WeakPolarHBondContact O-CB 3.34Å; S5-E8 PolarHBondContact O-N 3.1Å; S5-L9 PolarHBondContact O-N 2.95Å; S5-L9 VanDerWaalsContact O-N 3.13Å
6	F	50.2	Low	48.4	Very low	171 Å²	171	105.9 Å²	105.9	75%	0.75	59%	0.592	S	S	*	*	H	α-helix	trans	-49.4	-32.6	172.1	-176.5	-100.9	0	0	0	112.2	L9 C10	F6-L9 PolarHBondContact O-N 3.11Å; F6-C10 WeakPolarHBondContact O-CB 3.26Å; F6-C10 PolarHBondContact O-N 2.82Å; F6-C10 PolarHBondContact O-SG 3.06Å; F6-C10 VanDerWaalsContact O-SG 3.34Å
7	K	50.5	Low	48.7	Very low	158 Å²	158	106.9 Å²	106.9	69%	0.687	60%	0.604	S	S	*	*	H	α-helix	trans	-66.2	-37.9	176.2	-167.6	177.1	-179.2	179.6	0	112.9	S5 C11	S5-K7 PolarHBondContact O-N 2.73Å; S5-K7 PolarHBondContact OG-N 3.15Å; K7-C11 PolarHBondContact O-N 2.93Å; K7-C11 PolarHBondContact O-SG 3.24Å
8	E	54.1	Low	48.7	Very low	71 Å²	71	104.4 Å²	104.4	33%	0.332	59%	0.594	S	S	.	*	H	α-helix	trans	-72.4	-37.8	178.6	-65.7	169.1	146	0	0	111	L4 S5 C11 L12	L4-E8 WeakPolarHBondContact CA-OE2 3.25Å; L4-E8 HydrophobicContact CD2-CB 4.46Å; S5-E8 PolarHBondContact N-OE2 3.16Å; S5-E8 WeakPolarHBondContact O-CA 3.31Å; S5-E8 WeakPolarHBondContact O-CB 3.34Å; S5-E8 PolarHBondContact O-N 3.1Å; E8-C11 PolarHBondContact O-N 2.8Å; E8-L12 PolarHBondContact O-N 3.33Å
9	L	54.7	Low	48.9	Very low	80 Å²	80	101.1 Å²	101.1	42%	0.419	58%	0.577	S	S	.	*	H	α-helix	trans	-62.9	-46.3	172.4	-132	90.7	0	0	0	111.3	L4 S5 F6 C11 L12 F13	L4-L9 HydrophobicContact CB-CD1 4.26Å; L4-L9 HydrophobicContact CD1-CD1 4.25Å; S5-L9 PolarHBondContact O-N 2.95Å; S5-L9 VanDerWaalsContact O-N 3.13Å; F6-L9 PolarHBondContact O-N 3.11Å; L9-C11 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.12Å; L9-L12 VanDerWaalsContact O-CB 3.29Å; L9-L12 WeakPolarHBondContact O-CB 3.42Å; L9-L12 PolarHBondContact O-N 3.24Å; L9-L12 VanDerWaalsContact O-N 3.09Å; L9-F13 HydrophobicContact CG-CE2 4.47Å; L9-F13 VanDerWaalsContact O-CD2 3.32Å; L9-F13 WeakPolarHBondContact O-CD2 3.47Å; L9-F13 PolarHBondContact O-N 2.68Å
10	C	52.7	Low	49	Very low	49 Å²	49	99.9 Å²	99.9	33%	0.331	58%	0.575	S	S	.	*	H	α-helix	trans	-63.2	-36.1	177.1	-73.8	0	0	0	0	112.8	F6 L12 F13 C14	F6-C10 WeakPolarHBondContact O-CB 3.26Å; F6-C10 PolarHBondContact O-N 2.82Å; F6-C10 PolarHBondContact O-SG 3.06Å; F6-C10 VanDerWaalsContact O-SG 3.34Å; C10-L12 VanDerWaalsContact C-N 3.26Å; C10-L12 PolarHBondContact O-N 3.01Å; C10-F13 PolarHBondContact O-N 2.94Å; C10-C14 VanDerWaalsContact O-CB 3.27Å; C10-C14 WeakPolarHBondContact O-CB 3.42Å; C10-C14 PolarHBondContact O-N 2.99Å
11	C	52.3	Low	48.9	Very low	49 Å²	49	104.6 Å²	104.6	33%	0.331	58%	0.583	S	S	.	*	H	α-helix	trans	-67.7	-25.7	174.4	-71.7	0	0	0	0	113.3	K7 E8 L9 I22	K7-C11 PolarHBondContact O-N 2.93Å; K7-C11 PolarHBondContact O-SG 3.24Å; E8-C11 PolarHBondContact O-N 2.8Å; L9-C11 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.12Å; C11-I22 HydrophobicContact CB-CD1 3.44Å; C11-I22 VanDerWaalsContact CB-CD1 3.44Å
12	L	47.7	Very low	49.6	Very low	78 Å²	78	95.2 Å²	95.2	41%	0.408	54%	0.537	S	S	.	.	H	α-helix	trans	-70.2	-37.6	175.5	-126	91.2	0	0	0	112.4	E8 L9 C10 F231	E8-L12 PolarHBondContact O-N 3.33Å; L9-L12 VanDerWaalsContact O-CB 3.29Å; L9-L12 WeakPolarHBondContact O-CB 3.42Å; L9-L12 PolarHBondContact O-N 3.24Å; L9-L12 VanDerWaalsContact O-N 3.09Å; C10-L12 VanDerWaalsContact C-N 3.26Å; C10-L12 PolarHBondContact O-N 3.01Å; L12-F231 HydrophobicContact CD2-CZ 4.16Å
13	F	52.1	Low	49.9	Very low	152 Å²	152	90.5 Å²	90.5	67%	0.667	52%	0.517	S	S	*	.	H	α-helix	trans	-106.9	-21.9	-169.6	-69.2	-76.2	0	0	0	115.1	L9 C10	L9-F13 HydrophobicContact CG-CE2 4.47Å; L9-F13 VanDerWaalsContact O-CD2 3.32Å; L9-F13 WeakPolarHBondContact O-CD2 3.47Å; L9-F13 PolarHBondContact O-N 2.68Å; C10-F13 PolarHBondContact O-N 2.94Å
14	C	48.3	Very low	50.5	Low	95 Å²	95	87.3 Å²	87.3	64%	0.642	48%	0.481	S	S	*	.	S	Bend	trans	-107.1	-2.5	-169.6	-58.1	0	0	0	0	115.5	C10	C10-C14 VanDerWaalsContact O-CB 3.27Å; C10-C14 WeakPolarHBondContact O-CB 3.42Å; C10-C14 PolarHBondContact O-N 2.99Å
15	C	44.5	Very low	50.6	Low	77 Å²	77	91.7 Å²	91.7	52%	0.52	50%	0.497	S	S	.	.			trans	-145.3	97.5	-179.1	-69.5	0	0	0	0	114.1	C18	C15-C18 PolarHBondContact O-N 3.42Å
16	P	41.3	Very low	50.6	Low	124 Å²	124	92.8 Å²	92.8	81%	0.805	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	132.3	160.4	30.5	-28	0	0	0	109.8
17	P	53.2	Low	51.6	Low	122 Å²	122	85.9 Å²	85.9	79%	0.792	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	cis	-116.4	89.1	2.7	36.2	-17.8	0	0	0	111.8	P19	P17-P19 VanDerWaalsContact C-CD 3.43Å
18	C	48.1	Very low	53.4	Low	63 Å²	63	78.7 Å²	78.7	43%	0.426	44%	0.441	S	S	.	.			trans	-109.3	10.5	164	-89	0	0	0	0	117.7	C15 S20	C15-C18 PolarHBondContact O-N 3.42Å; C18-S20 PolarHBondContact O-N 3.29Å
19	P	52.7	Low	55.1	Low	41 Å²	41	79.9 Å²	79.9	27%	0.266	45%	0.449	S	S	.	.	H	α-helix	trans	-60.5	-41.7	-179	-23.2	31.2	0	0	0	114.5	P17 R21 I22 A23 F240	P17-P19 VanDerWaalsContact C-CD 3.43Å; P19-R21 PolarHBondContact O-N 2.99Å; P19-I22 PolarHBondContact O-N 3.11Å; P19-A23 WeakPolarHBondContact O-CB 3.4Å; P19-A23 PolarHBondContact O-N 3.47Å; P19-F240 HydrophobicContact CB-CB 4.26Å; P19-F240 HydrophobicContact CG-CB 4.18Å
20	S	50.6	Low	56.9	Low	77 Å²	77	78.5 Å²	78.5	54%	0.538	45%	0.445	S	S	.	.	H	α-helix	trans	-69.5	-31.2	-168.1	63.5	0	0	0	0	114.4	C18 S24	C18-S20 PolarHBondContact O-N 3.29Å; S20-S24 WeakPolarHBondContact O-CB 3.33Å; S20-S24 PolarHBondContact O-N 3.04Å; S20-S24 VanDerWaalsContact O-N 3.1Å; S20-S24 PolarHBondContact O-OG 3.3Å
21	R	46.8	Very low	58.8	Low	199 Å²	199	77.7 Å²	77.7	75%	0.751	44%	0.439	S	S	*	.	H	α-helix	trans	-79	-28.5	179.5	-78.6	-172.4	178.6	173.9	1.8	113.7	P19 S24 K25	P19-R21 PolarHBondContact O-N 2.99Å; R21-S24 WeakPolarHBondContact CA-OG 3.48Å; R21-S24 PolarHBondContact O-OG 3Å; R21-K25 WeakPolarHBondContact O-CG 3.44Å; R21-K25 PolarHBondContact O-N 2.96Å
22	I	50.3	Low	60.8	Low	36 Å²	36	82 Å²	82	19%	0.185	45%	0.454	C	S	.	.	H	α-helix	trans	-86.4	-45.2	178.4	-65.5	164	0	0	0	109.3	C11 P19 S24 K25 L26	C11-I22 HydrophobicContact CB-CD1 3.44Å; C11-I22 VanDerWaalsContact CB-CD1 3.44Å; P19-I22 PolarHBondContact O-N 3.11Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 2.86Å; I22-K25 PolarHBondContact O-N 3.46Å; I22-K25 VanDerWaalsContact O-N 3.1Å; I22-L26 HydrophobicContact CG2-CD1 4.1Å; I22-L26 PolarHBondContact O-N 3.11Å
23	A	48.7	Very low	63.2	Low	35 Å²	35	80.6 Å²	80.6	29%	0.289	45%	0.45	S	S	.	.	H	α-helix	trans	-59.4	-40.5	174.3	0	0	0	0	0	112	P19 K25 L26 A27	P19-A23 WeakPolarHBondContact O-CB 3.4Å; P19-A23 PolarHBondContact O-N 3.47Å; A23-K25 PolarHBondContact O-N 3.16Å; A23-L26 PolarHBondContact O-N 2.9Å; A23-A27 WeakPolarHBondContact O-CB 3.19Å; A23-A27 PolarHBondContact O-N 2.91Å
24	S	50.7	Low	65.3	Low	20 Å²	20	73.5 Å²	73.5	14%	0.14	42%	0.419	C	S	.	.	H	α-helix	trans	-64.8	-35.6	174	52	0	0	0	0	113.6	S20 R21 I22 L26 F28	S20-S24 WeakPolarHBondContact O-CB 3.33Å; S20-S24 PolarHBondContact O-N 3.04Å; S20-S24 VanDerWaalsContact O-N 3.1Å; S20-S24 PolarHBondContact O-OG 3.3Å; R21-S24 WeakPolarHBondContact CA-OG 3.48Å; R21-S24 PolarHBondContact O-OG 3Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 2.86Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.47Å; S24-F28 VanDerWaalsContact O-CD2 3.23Å; S24-F28 WeakPolarHBondContact O-CD2 3.18Å; S24-F28 PolarHBondContact O-N 3.32Å; S24-F28 VanDerWaalsContact O-N 3.1Å
25	K	53.8	Low	67.7	Low	165 Å²	165	69.2 Å²	69.2	72%	0.717	39%	0.389	S	S	*	.	H	α-helix	trans	-69	-29.6	175.4	-81.6	-175.7	173.6	-167	0	113.4	R21 I22 A23	R21-K25 WeakPolarHBondContact O-CG 3.44Å; R21-K25 PolarHBondContact O-N 2.96Å; I22-K25 PolarHBondContact O-N 3.46Å; I22-K25 VanDerWaalsContact O-N 3.1Å; A23-K25 PolarHBondContact O-N 3.16Å
26	L	58.4	Low	70.2	Confident	87 Å²	87	67.2 Å²	67.2	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-84.8	-29.8	177.3	-67.7	170.6	0	0	0	112	L4 I22 A23 S24	L4-L26 HydrophobicContact CD2-CD1 3.96Å; L4-L26 HydrophobicContact CD2-CD2 4.36Å; I22-L26 HydrophobicContact CG2-CD1 4.1Å; I22-L26 PolarHBondContact O-N 3.11Å; A23-L26 PolarHBondContact O-N 2.9Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.47Å
27	A	72.5	Confident	72.8	Confident	26 Å²	26	62.1 Å²	62.1	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-82	-26.3	-179	0	0	0	0	0	113.8	A23 N129 I200 F243	A23-A27 WeakPolarHBondContact O-CB 3.19Å; A23-A27 PolarHBondContact O-N 2.91Å; A27-N129 PolarHBondContact O-ND2 3.44Å; A27-I200 HydrophobicContact CB-CD1 4.48Å; A27-I200 WeakPolarHBondContact O-CD1 3.44Å; A27-F243 HydrophobicContact CB-CE2 3.81Å; A27-F243 HydrophobicContact CB-CZ 4.26Å
28	F	86.9	Confident	74.7	Confident	7 Å²	7	60.2 Å²	60.2	3%	0.031	33%	0.326	C	S	.	.			trans	-113.2	118.6	178.7	-62.4	-69.7	0	0	0	110.7	S24 P30 Y159 P166 L171 I200 F243	S24-F28 VanDerWaalsContact O-CD2 3.23Å; S24-F28 WeakPolarHBondContact O-CD2 3.18Å; S24-F28 PolarHBondContact O-N 3.32Å; S24-F28 VanDerWaalsContact O-N 3.1Å; F28-P30 VanDerWaalsContact C-CD 3.48Å; F28-P30 WeakPolarHBondContact O-CD 3.36Å; F28-Y159 WeakPolarHBondContact CA-OH 3.35Å; F28-Y159 HydrophobicContact CB-CE2 4.24Å; F28-Y159 WeakPolarHBondContact CB-OH 3.42Å; F28-Y159 HydrophobicContact CD1-CE2 4.2Å; F28-P166 HydrophobicContact CB-CB 3.58Å; F28-P166 HydrophobicContact CB-CG 3.82Å; F28-P166 HydrophobicContact CD1-CB 4.12Å; F28-P166 HydrophobicContact CD2-CB 3.84Å; F28-P166 HydrophobicContact CD2-CG 4.47Å; F28-P166 WeakPolarHBondContact CD2-O 3.38Å; F28-P166 HydrophobicContact CG-CB 3.61Å; F28-P166 HydrophobicContact CG-CG 4.31Å; F28-L171 HydrophobicContact CE1-CD1 4.45Å; F28-L171 HydrophobicContact CE1-CD2 4.02Å; F28-L171 HydrophobicContact CZ-CD2 3.93Å; F28-I200 HydrophobicContact CD1-CD1 3.6Å; F28-I200 HydrophobicContact CE1-CD1 3.4Å; F28-I200 HydrophobicContact CE1-CG1 4.24Å; F28-I200 HydrophobicContact CG-CD1 4.46Å; F28-I200 HydrophobicContact CZ-CD1 4.13Å; F28-F243 HydrophobicContact CE1-CZ 4.38Å; F28-F243 HydrophobicContact CE2-CE1 4.28Å; F28-F243 AromaticContact CE2-CZ 3.74Å; F28-F243 HydrophobicContact CE2-CZ 3.74Å; F28-F243 AromaticContact CZ-CE1 3.88Å; F28-F243 HydrophobicContact CZ-CE1 3.88Å; F28-F243 AromaticContact CZ-CZ 3.54Å; F28-F243 HydrophobicContact CZ-CZ 3.54Å
29	L	90.8	Very high	76.7	Confident	96 Å²	96	61.7 Å²	61.7	50%	0.503	34%	0.335	S	S	.	.			trans	-123.4	68.9	179.4	-62.9	174.6	0	0	0	108.7	N129 A130 Y159	L29-N129 PolarHBondContact N-OD1 2.99Å; L29-A130 HydrophobicContact CB-CB 4.46Å; L29-A130 WeakPolarHBondContact O-CA 3.35Å; L29-A130 PolarHBondContact O-N 2.95Å; L29-Y159 PolarHBondContact N-OH 2.85Å
30	P	92	Very high	78.1	Confident	51 Å²	51	60.2 Å²	60.2	33%	0.331	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-56.8	130.9	177.5	24	-32.5	0	0	0	110	F28 G158 Y159	F28-P30 VanDerWaalsContact C-CD 3.48Å; F28-P30 WeakPolarHBondContact O-CD 3.36Å; P30-G158 WeakPolarHBondContact CB-O 3.43Å; P30-Y159 HydrophobicContact CB-CD1 3.89Å; P30-Y159 HydrophobicContact CB-CD2 3.77Å; P30-Y159 HydrophobicContact CB-CE1 3.95Å; P30-Y159 HydrophobicContact CB-CE2 3.81Å; P30-Y159 HydrophobicContact CB-CG 3.78Å; P30-Y159 HydrophobicContact CG-CD2 4.48Å; P30-Y159 HydrophobicContact CG-CE2 4.25Å
31	P	93	Very high	79	Confident	32 Å²	32	62.1 Å²	62.1	21%	0.208	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-71	166.7	175.3	32.3	-35.1	0	0	0	110.3	D132	P31-D132 HydrophobicContact CG-CB 4.07Å
32	E	94.8	Very high	80	Confident	138 Å²	138	59.7 Å²	59.7	65%	0.645	33%	0.332	S	S	*	.	S	Bend	trans	-58.9	129.1	161.6	-76.9	-66.5	147.4	0	0	108.9	T34	E32-T34 PolarHBondContact O-N 2.88Å
33	P	96.7	Very high	80.5	Confident	49 Å²	49	59.8 Å²	59.8	32%	0.318	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-53.2	130.8	-174.3	-29.2	35.2	0	0	0	112.7	R82 D132	P33-R82 PolarHBondContact O-NH2 2.85Å; P33-D132 WeakPolarHBondContact CA-OD2 3.4Å
34	T	97.5	Very high	80.7	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.018	36%	0.364	C	S	.	.	S	Bend	trans	-97.8	0	178.6	74.3	0	0	0	0	112.6	E32 T80 R82 D132 G134 Q135	E32-T34 PolarHBondContact O-N 2.88Å; T34-T80 WeakPolarHBondContact CA-OG1 3.25Å; T34-T80 WeakPolarHBondContact O-CB 3.43Å; T34-T80 WeakPolarHBondContact O-CG2 3.47Å; T34-T80 PolarHBondContact O-N 3.12Å; T34-T80 PolarHBondContact O-OG1 2.87Å; T34-R82 HydrophobicContact CG2-CB 4.03Å; T34-D132 PolarHBondContact N-OD2 3.36Å; T34-D132 PolarHBondContact OG1-OD1 3.12Å; T34-D132 PolarHBondContact OG1-OD2 2.81Å; T34-G134 WeakPolarHBondContact OG1-CA 3.45Å; T34-Q135 HydrophobicContact CG2-CG 3.49Å; T34-Q135 VanDerWaalsContact CG2-CG 3.49Å; T34-Q135 PolarHBondContact OG1-N 3.27Å
35	Y	97.7	Very high	80.6	Confident	6 Å²	6	69.6 Å²	69.6	2%	0.024	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	167.8	179.2	75.7	-79.5	0	0	0	112.2	F37 L77 H78 D132 L133 G134 D155 V161	Y35-F37 AromaticContact CD2-CD1 3.94Å; Y35-F37 HydrophobicContact CD2-CD1 3.94Å; Y35-F37 AromaticContact CD2-CE1 3.73Å; Y35-F37 HydrophobicContact CD2-CE1 3.73Å; Y35-F37 AromaticContact CE2-CD1 3.76Å; Y35-F37 HydrophobicContact CE2-CD1 3.76Å; Y35-F37 AromaticContact CE2-CE1 3.28Å; Y35-F37 HydrophobicContact CE2-CE1 3.28Å; Y35-F37 AromaticContact CE2-CZ 3.88Å; Y35-F37 HydrophobicContact CE2-CZ 3.88Å; Y35-L77 HydrophobicContact CD2-CD1 3.55Å; Y35-L77 HydrophobicContact CE2-CD1 4.42Å; Y35-L77 HydrophobicContact CG-CD1 4.02Å; Y35-H78 CarbonylContact C-O 3.59Å; Y35-H78 WeakPolarHBondContact CA-O 3.41Å; Y35-H78 WeakPolarHBondContact CB-O 3.46Å; Y35-D132 WeakPolarHBondContact CD1-OD2 3.12Å; Y35-D132 HydrophobicContact CE1-CB 4.04Å; Y35-L133 HydrophobicContact CE1-CB 3.82Å; Y35-G134 VanDerWaalsContact CD1-N 3.26Å; Y35-D155 VanDerWaalsContact CE1-OD2 3.28Å; Y35-D155 WeakPolarHBondContact CE1-OD2 3.13Å; Y35-D155 VanDerWaalsContact CZ-OD2 3.27Å; Y35-D155 PolarHBondContact OH-OD2 3.42Å; Y35-V161 HydrophobicContact CD2-CG1 4.24Å; Y35-V161 HydrophobicContact CE2-CB 4.36Å; Y35-V161 HydrophobicContact CE2-CG1 3.75Å; Y35-V161 HydrophobicContact CE2-CG2 3.76Å; Y35-V161 WeakPolarHBondContact OH-CG2 3.47Å
36	A	97.1	Very high	80.2	Confident	34 Å²	34	66 Å²	66	28%	0.281	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.6	170.1	0	0	0	0	0	110.8	L38 H78	A36-L38 HydrophobicContact CB-CD2 4.42Å; A36-H78 PolarHBondContact N-O 2.98Å; A36-H78 PolarHBondContact O-N 3.11Å
37	F	96	Very high	79.4	Confident	17 Å²	17	66.8 Å²	66.8	8%	0.075	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.1	165.6	-69.2	-4	0	0	0	108.8	Y35 W75 L77 V97 F98 F99 C110 V161	Y35-F37 AromaticContact CD2-CD1 3.94Å; Y35-F37 HydrophobicContact CD2-CD1 3.94Å; Y35-F37 AromaticContact CD2-CE1 3.73Å; Y35-F37 HydrophobicContact CD2-CE1 3.73Å; Y35-F37 AromaticContact CE2-CD1 3.76Å; Y35-F37 HydrophobicContact CE2-CD1 3.76Å; Y35-F37 AromaticContact CE2-CE1 3.28Å; Y35-F37 HydrophobicContact CE2-CE1 3.28Å; Y35-F37 AromaticContact CE2-CZ 3.88Å; Y35-F37 HydrophobicContact CE2-CZ 3.88Å; F37-W75 HydrophobicContact CB-CB 4.25Å; F37-W75 HydrophobicContact CB-CD2 4.22Å; F37-W75 HydrophobicContact CB-CE3 3.78Å; F37-W75 HydrophobicContact CB-CG 4.43Å; F37-L77 HydrophobicContact CD1-CD1 4.29Å; F37-L77 HydrophobicContact CE1-CD1 4.07Å; F37-V97 HydrophobicContact CD1-CB 3.91Å; F37-V97 HydrophobicContact CD1-CG1 4.3Å; F37-V97 HydrophobicContact CD1-CG2 3.78Å; F37-V97 HydrophobicContact CD2-CB 4.43Å; F37-V97 HydrophobicContact CE1-CB 3.4Å; F37-V97 HydrophobicContact CE1-CG1 3.51Å; F37-V97 HydrophobicContact CE1-CG2 3.81Å; F37-V97 HydrophobicContact CE2-CB 4Å; F37-V97 HydrophobicContact CG-CB 4.43Å; F37-V97 HydrophobicContact CG-CG2 4.22Å; F37-V97 HydrophobicContact CZ-CB 3.49Å; F37-V97 VanDerWaalsContact CZ-CB 3.49Å; F37-V97 HydrophobicContact CZ-CG1 3.82Å; F37-V97 HydrophobicContact CZ-CG2 4.28Å; F37-F98 WeakPolarHBondContact CE2-O 3.38Å; F37-F99 HydrophobicContact CB-CE2 4.16Å; F37-F99 HydrophobicContact CB-CZ 4.13Å; F37-F99 HydrophobicContact CD2-CD1 4.25Å; F37-F99 HydrophobicContact CD2-CD2 4.12Å; F37-F99 AromaticContact CD2-CE1 3.8Å; F37-F99 HydrophobicContact CD2-CE1 3.8Å; F37-F99 AromaticContact CD2-CE2 3.62Å; F37-F99 HydrophobicContact CD2-CE2 3.62Å; F37-F99 HydrophobicContact CD2-CG 4.42Å; F37-F99 AromaticContact CD2-CZ 3.45Å; F37-F99 HydrophobicContact CD2-CZ 3.45Å; F37-F99 VanDerWaalsContact CD2-CZ 3.45Å; F37-F99 HydrophobicContact CE2-CD1 4.28Å; F37-F99 HydrophobicContact CE2-CE1 4.08Å; F37-F99 HydrophobicContact CE2-CZ 4.21Å; F37-F99 HydrophobicContact CG-CE2 4.39Å; F37-F99 HydrophobicContact CG-CZ 4.17Å; F37-C110 WeakPolarHBondContact CZ-O 3.45Å; F37-V161 HydrophobicContact CD1-CG2 4.49Å; F37-V161 HydrophobicContact CD2-CG2 3.99Å; F37-V161 HydrophobicContact CE1-CG2 4.43Å; F37-V161 HydrophobicContact CE2-CG2 3.9Å; F37-V161 HydrophobicContact CG-CG2 4.25Å; F37-V161 HydrophobicContact CZ-CG2 4.1Å
38	L	93.9	Very high	77.9	Confident	82 Å²	82	73.9 Å²	73.9	43%	0.429	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142	175.8	-57.5	-177.6	0	0	0	109	A36 D40 W75 K76 H78	A36-L38 HydrophobicContact CB-CD2 4.42Å; L38-D40 PolarHBondContact O-N 3.4Å; L38-W75 CarbonylContact O-C 3.59Å; L38-W75 WeakPolarHBondContact O-CA 3.36Å; L38-K76 PolarHBondContact N-O 3.17Å; L38-K76 PolarHBondContact O-N 2.98Å; L38-H78 HydrophobicContact CD1-CB 3.69Å; L38-H78 HydrophobicContact CG-CB 3.94Å
39	P	90.4	Very high	75.6	Confident	94 Å²	94	76.9 Å²	76.9	61%	0.61	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.8	133.7	171.1	-22.6	33.2	0	0	0	110.1	P41 W75	P39-P41 WeakPolarHBondContact O-CD 3.42Å; P39-W75 HydrophobicContact CG-CZ3 4.09Å
40	D	81.8	Confident	73.2	Confident	10 Å²	10	77.3 Å²	77.3	5%	0.053	49%	0.487	C	S	.	.			trans	-73.3	110.7	174.6	-172.6	-0.5	0	0	0	108.9	L38 E42 A43 K74 K76	L38-D40 PolarHBondContact O-N 3.4Å; D40-E42 PolarHBondContact O-N 2.91Å; D40-E42 PolarHBondContact OD1-N 3.48Å; D40-A43 HydrophobicContact CB-CB 4.34Å; D40-A43 WeakPolarHBondContact O-CB 3.47Å; D40-A43 PolarHBondContact O-N 3.2Å; D40-K74 HydrophobicContact CB-CB 3.99Å; D40-K74 HydrophobicContact CB-CD 4.31Å; D40-K74 HydrophobicContact CB-CG 4.04Å; D40-K74 WeakPolarHBondContact CB-O 3.36Å; D40-K74 PolarHBondContact N-O 3.31Å; D40-K74 VanDerWaalsContact OD2-CD 3.28Å; D40-K74 WeakPolarHBondContact OD2-CD 3.29Å; D40-K74 VanDerWaalsContact OD2-CE 3.25Å; D40-K74 WeakPolarHBondContact OD2-CE 3.43Å; D40-K74 IonicContact OD2-NZ 3.27Å; D40-K74 PolarHBondContact OD2-NZ 3.44Å; D40-K76 HydrophobicContact CB-CD 4.27Å; D40-K76 HydrophobicContact CB-CG 4.03Å; D40-K76 VanDerWaalsContact CG-CE 3.44Å; D40-K76 WeakPolarHBondContact OD1-CD 3.38Å; D40-K76 WeakPolarHBondContact OD1-CE 3.33Å; D40-K76 IonicContact OD1-NZ 3.56Å; D40-K76 PolarHBondContact OD1-NZ 2.95Å; D40-K76 IonicContact OD2-NZ 3.68Å
41	P	68.4	Low	70.5	Confident	118 Å²	118	80.5 Å²	80.5	77%	0.766	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.5	-177.3	28.8	-35.1	0	0	0	113.1	P39	P39-P41 WeakPolarHBondContact O-CD 3.42Å
42	E	67.8	Low	67.6	Low	147 Å²	147	82.2 Å²	82.2	69%	0.687	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	6.1	179.3	-62.7	172.1	153.3	0	0	112.5	D40 D44 K76	D40-E42 PolarHBondContact O-N 2.91Å; D40-E42 PolarHBondContact OD1-N 3.48Å; E42-D44 PolarHBondContact O-N 3.19Å; E42-K76 IonicContact OE2-NZ 3.86Å; E42-K76 PolarHBondContact OE2-NZ 3.35Å
43	A	61.7	Low	64.9	Low	39 Å²	39	82.4 Å²	82.4	32%	0.322	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-67.3	119.7	174.3	0	0	0	0	0	109.8	D40 K74	D40-A43 HydrophobicContact CB-CB 4.34Å; D40-A43 WeakPolarHBondContact O-CB 3.47Å; D40-A43 PolarHBondContact O-N 3.2Å; A43-K74 HydrophobicContact CB-CB 3.8Å; A43-K74 HydrophobicContact CB-CD 4.4Å
44	D	52.7	Low	61.8	Low	152 Å²	152	85.7 Å²	85.7	81%	0.813	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-50.9	134.2	173.2	-78.3	-40	0	0	0	109.7	E42	E42-D44 PolarHBondContact O-N 3.19Å
45	P	49.3	Very low	58.7	Low	108 Å²	108	91.1 Å²	91.1	70%	0.701	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-57.6	142	172.8	23.4	-30.5	0	0	0	108.7	A47	P45-A47 PolarHBondContact O-N 2.93Å; P45-A47 VanDerWaalsContact O-N 3.13Å
46	P	45.2	Very low	55.6	Low	90 Å²	90	99.2 Å²	99.2	58%	0.584	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-54.5	127.2	-179.6	20.3	-30.2	0	0	0	109	L48 V71	P46-L48 PolarHBondContact O-N 2.91Å; P46-V71 HydrophobicContact CB-CG1 4.21Å; P46-V71 HydrophobicContact CG-CG1 4.4Å
47	A	41.9	Very low	52.5	Low	104 Å²	104	109.7 Å²	109.7	86%	0.86	68%	0.679	S	S	*	*			trans	-53.6	105.2	179.1	0	0	0	0	0	109	P45 G49	P45-A47 PolarHBondContact O-N 2.93Å; P45-A47 VanDerWaalsContact O-N 3.13Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 3.35Å
48	L	40.1	Very low	49.5	Very low	175 Å²	175	114.1 Å²	114.1	92%	0.916	71%	0.713	S	S	*	*			trans	-65.3	96.2	168.4	-82.9	159.8	0	0	0	106.3	P46 A50	P46-L48 PolarHBondContact O-N 2.91Å; L48-A50 PolarHBondContact O-N 2.78Å
49	G	38.4	Very low	46.5	Very low	70 Å²	70	122.1 Å²	122.1	72%	0.722	74%	0.737	S	S	*	*			trans	-52.9	115.1	173.9	0	0	0	0	0	109.3	A47 S51	A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 3.35Å; G49-S51 PolarHBondContact O-N 3.36Å
50	A	39.8	Very low	43.9	Very low	104 Å²	104	123.4 Å²	123.4	86%	0.86	75%	0.748	S	S	*	*			trans	-58.9	105.8	170.6	0	0	0	0	0	108.8	L48 G52	L48-A50 PolarHBondContact O-N 2.78Å; A50-G52 PolarHBondContact O-N 2.86Å; A50-G52 VanDerWaalsContact O-N 3.16Å
51	S	36.6	Very low	41.2	Very low	118 Å²	118	126.4 Å²	126.4	83%	0.825	78%	0.782	S	S	*	*			trans	-80.3	94.7	169.4	49.6	0	0	0	0	109	G49	G49-S51 PolarHBondContact O-N 3.36Å
52	G	32.5	Very low	39.6	Very low	69 Å²	69	126 Å²	126	71%	0.711	79%	0.788	S	S	*	*			trans	-58.6	139	161.4	0	0	0	0	0	110.8	A50	A50-G52 PolarHBondContact O-N 2.86Å; A50-G52 VanDerWaalsContact O-N 3.16Å
53	T	37.7	Very low	37.6	Very low	142 Å²	142	124.5 Å²	124.5	87%	0.871	79%	0.794	S	S	*	*			trans	-55.2	127.9	174.4	47.8	0	0	0	0	113.2
54	S	32.2	Very low	36.1	Very low	118 Å²	118	129.2 Å²	129.2	83%	0.825	82%	0.819	S	S	*	*			trans	-169.3	126.3	135.1	57.5	0	0	0	0	114.4
55	S	31.5	Very low	35	Very low	116 Å²	116	127.6 Å²	127.6	81%	0.811	82%	0.819	S	S	*	*			trans	21	124.7	147.4	-170.3	0	0	0	0	123.1
56	M	32.6	Very low	34	Very low	177 Å²	177	125.8 Å²	125.8	87%	0.872	82%	0.82	S	S	*	*			trans	-3.5	131.1	146.3	-71.8	-177.9	166.2	0	0	119.8
57	R	31.5	Very low	33.2	Very low	253 Å²	253	125.2 Å²	125.2	96%	0.955	83%	0.831	S	S	*	*				-166.6	137.8	115	-106.6	174.5	-178.7	-158.9	0.7	112.7
58	S	33.6	Very low	32.8	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	83%	0.831	S	S	*	*			trans	-69.4	142	178.2	55.9	0	0	0	0	113.9
59	R	31.4	Very low	32.6	Very low	250 Å²	250	120.7 Å²	120.7	94%	0.943	83%	0.826	S	S	*	*			trans	-168.6	139.4	134.2	-107.6	169.3	-177.3	-167.5	0.1	112.1
60	S	34.1	Very low	32.4	Very low	121 Å²	121	120.2 Å²	120.2	85%	0.846	82%	0.821	S	S	*	*			trans	-64.3	138.7	179.3	49.1	0	0	0	0	114.3
61	G	26.7	Very low	32.5	Very low	74 Å²	74	121 Å²	121	76%	0.763	82%	0.815	S	S	*	*			trans	-175.1	129.7	166.6	0	0	0	0	0	110.5
62	A	33.5	Very low	33.7	Very low	109 Å²	109	120.3 Å²	120.3	90%	0.901	80%	0.799	S	S	*	*			trans	-66.3	140.7	-175	0	0	0	0	0	113.4
63	S	27.1	Very low	35.3	Very low	115 Å²	115	119 Å²	119	80%	0.804	79%	0.786	S	S	*	*			trans	-158.8	121.2	154.7	60	0	0	0	0	111.5
64	V	30.4	Very low	37.7	Very low	139 Å²	139	118.4 Å²	118.4	84%	0.842	77%	0.771	S	S	*	*			trans	-15	125.7	160.3	-177	0	0	0	0	114.2	G66	V64-G66 PolarHBondContact O-N 3.44Å
65	S	28.5	Very low	40.6	Very low	117 Å²	117	116.3 Å²	116.3	82%	0.818	75%	0.745	S	S	*	*			trans	-57.2	100.2	173.8	52.1	0	0	0	0	111.1
66	G	28.1	Very low	43.5	Very low	70 Å²	70	114.8 Å²	114.8	72%	0.722	72%	0.724	S	S	*	*			trans	-61.9	129.5	164.8	0	0	0	0	0	109.7	V64 A68	V64-G66 PolarHBondContact O-N 3.44Å; G66-A68 PolarHBondContact O-N 2.91Å
67	G	29.8	Very low	46.5	Very low	79 Å²	79	107.4 Å²	107.4	81%	0.814	69%	0.688	S	S	*	*			trans	-54.9	134	176.3	0	0	0	0	0	110.8	G69	G67-G69 PolarHBondContact O-N 3.38Å
68	A	32.8	Very low	49.5	Very low	105 Å²	105	100.1 Å²	100.1	87%	0.868	67%	0.665	S	S	*	*			trans	-55.2	104.9	174.6	0	0	0	0	0	110.1	G66 G70	G66-A68 PolarHBondContact O-N 2.91Å; A68-G70 PolarHBondContact O-N 2.86Å
69	G	34.9	Very low	52.5	Low	78 Å²	78	96.1 Å²	96.1	80%	0.804	63%	0.634	S	S	*	*			trans	-66.9	87.7	158.7	0	0	0	0	0	107.8	G67 V71	G67-G69 PolarHBondContact O-N 3.38Å; G69-V71 PolarHBondContact O-N 2.9Å
70	G	34.9	Very low	55.5	Low	60 Å²	60	86.5 Å²	86.5	62%	0.619	60%	0.604	S	S	*	*			trans	-61.8	131.8	166.7	0	0	0	0	0	108.3	A68 E72	A68-G70 PolarHBondContact O-N 2.86Å; G70-E72 PolarHBondContact O-N 3.04Å
71	V	43	Very low	58.3	Low	120 Å²	120	88.4 Å²	88.4	73%	0.727	60%	0.604	S	S	*	*			trans	-58.2	103	174.4	-177.9	0	0	0	0	107.6	P46 G69 G73	P46-V71 HydrophobicContact CB-CG1 4.21Å; P46-V71 HydrophobicContact CG-CG1 4.4Å; G69-V71 PolarHBondContact O-N 2.9Å; V71-G73 PolarHBondContact O-N 3.4Å
72	E	61.2	Low	61.4	Low	104 Å²	104	91.1 Å²	91.1	49%	0.486	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-69.5	116.9	176	-81.8	176.5	179.6	0	0	108.2	G70 R185	G70-E72 PolarHBondContact O-N 3.04Å; E72-R185 IonicContact OE2-NH1 3.38Å
73	G	66.6	Low	64.2	Low	43 Å²	43	86 Å²	86	44%	0.443	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-57.1	147.6	169.4	0	0	0	0	0	110.1	V71 W75	V71-G73 PolarHBondContact O-N 3.4Å; G73-W75 PolarHBondContact O-NE1 3.25Å
74	K	86.6	Confident	67.3	Low	129 Å²	129	87.8 Å²	87.8	56%	0.561	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-71.5	135.4	171	-167.8	178.4	174.1	-143.8	0	108.2	D40 A43	D40-K74 HydrophobicContact CB-CB 3.99Å; D40-K74 HydrophobicContact CB-CD 4.31Å; D40-K74 HydrophobicContact CB-CG 4.04Å; D40-K74 WeakPolarHBondContact CB-O 3.36Å; D40-K74 PolarHBondContact N-O 3.31Å; D40-K74 VanDerWaalsContact OD2-CD 3.28Å; D40-K74 WeakPolarHBondContact OD2-CD 3.29Å; D40-K74 VanDerWaalsContact OD2-CE 3.25Å; D40-K74 WeakPolarHBondContact OD2-CE 3.43Å; D40-K74 IonicContact OD2-NZ 3.27Å; D40-K74 PolarHBondContact OD2-NZ 3.44Å; A43-K74 HydrophobicContact CB-CB 3.8Å; A43-K74 HydrophobicContact CB-CD 4.4Å
75	W	93.4	Very high	70.3	Confident	73 Å²	73	83.7 Å²	83.7	28%	0.277	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.4	-177	-57.5	90.9	0	0	0	109.9	F37 L38 P39 G73 V97 F99	F37-W75 HydrophobicContact CB-CB 4.25Å; F37-W75 HydrophobicContact CB-CD2 4.22Å; F37-W75 HydrophobicContact CB-CE3 3.78Å; F37-W75 HydrophobicContact CB-CG 4.43Å; L38-W75 CarbonylContact O-C 3.59Å; L38-W75 WeakPolarHBondContact O-CA 3.36Å; P39-W75 HydrophobicContact CG-CZ3 4.09Å; G73-W75 PolarHBondContact O-NE1 3.25Å; W75-V97 HydrophobicContact CB-CG2 4Å; W75-F99 HydrophobicContact CD2-CD2 4.2Å; W75-F99 AromaticContact CD2-CE2 3.98Å; W75-F99 HydrophobicContact CD2-CE2 3.98Å; W75-F99 AromaticContact CE2-CD2 3.64Å; W75-F99 AromaticContact CE2-CE2 3.77Å; W75-F99 HydrophobicContact CE3-CE2 4.16Å; W75-F99 HydrophobicContact CH2-CD2 4.43Å; W75-F99 AromaticContact CH2-CE2 3.97Å; W75-F99 HydrophobicContact CH2-CE2 3.97Å; W75-F99 AromaticContact CZ2-CD2 3.79Å; W75-F99 HydrophobicContact CZ2-CD2 3.79Å; W75-F99 AromaticContact CZ2-CE2 3.79Å; W75-F99 HydrophobicContact CZ2-CE2 3.79Å; W75-F99 HydrophobicContact CZ3-CE2 4.14Å; W75-F99 AromaticContact NE1-CD2 3.78Å
76	K	93.1	Very high	73.3	Confident	85 Å²	85	85.5 Å²	85.5	37%	0.37	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139	168.6	-80.3	179.2	167.9	154.1	0	109.6	L38 D40 E42	L38-K76 PolarHBondContact N-O 3.17Å; L38-K76 PolarHBondContact O-N 2.98Å; D40-K76 HydrophobicContact CB-CD 4.27Å; D40-K76 HydrophobicContact CB-CG 4.03Å; D40-K76 VanDerWaalsContact CG-CE 3.44Å; D40-K76 WeakPolarHBondContact OD1-CD 3.38Å; D40-K76 WeakPolarHBondContact OD1-CE 3.33Å; D40-K76 IonicContact OD1-NZ 3.56Å; D40-K76 PolarHBondContact OD1-NZ 2.95Å; D40-K76 IonicContact OD2-NZ 3.68Å; E42-K76 IonicContact OE2-NZ 3.86Å; E42-K76 PolarHBondContact OE2-NZ 3.35Å
77	L	95.4	Very high	76.3	Confident	21 Å²	21	85.6 Å²	85.6	11%	0.11	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125	174.9	178.6	59.9	0	0	0	109.5	Y35 F37 L79 L92 V95 V97 M111	Y35-L77 HydrophobicContact CD2-CD1 3.55Å; Y35-L77 HydrophobicContact CE2-CD1 4.42Å; Y35-L77 HydrophobicContact CG-CD1 4.02Å; F37-L77 HydrophobicContact CD1-CD1 4.29Å; F37-L77 HydrophobicContact CE1-CD1 4.07Å; L77-L79 HydrophobicContact CD1-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CD2 4.05Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.92Å; L77-L79 HydrophobicContact CG-CG 4.21Å; L77-L92 HydrophobicContact CD2-CD1 3.69Å; L77-L92 HydrophobicContact CG-CD1 4.29Å; L77-V95 HydrophobicContact CD2-CB 4.28Å; L77-V95 HydrophobicContact CD2-CG1 3.74Å; L77-V97 HydrophobicContact CB-CG1 3.95Å; L77-V97 HydrophobicContact CB-CG2 4.01Å; L77-V97 HydrophobicContact CD1-CG1 4.27Å; L77-V97 HydrophobicContact CD2-CG1 4.3Å; L77-V97 HydrophobicContact CG-CG1 4.42Å; L77-M111 HydrophobicContact CD1-CE 4.47Å; L77-M111 HydrophobicContact CD2-CE 3.65Å
78	H	95.2	Very high	79	Confident	101 Å²	101	86 Å²	86	47%	0.468	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.4	172.2	-177.9	72.8	0	0	0	109.3	Y35 A36 L38	Y35-H78 CarbonylContact C-O 3.59Å; Y35-H78 WeakPolarHBondContact CA-O 3.41Å; Y35-H78 WeakPolarHBondContact CB-O 3.46Å; A36-H78 PolarHBondContact N-O 2.98Å; A36-H78 PolarHBondContact O-N 3.11Å; L38-H78 HydrophobicContact CD1-CB 3.69Å; L38-H78 HydrophobicContact CG-CB 3.94Å
79	L	96.1	Very high	81.6	Confident	25 Å²	25	86.7 Å²	86.7	13%	0.131	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	142	177.8	-60.6	-178.6	0	0	0	110.5	L77 A83 F85 L92	L77-L79 HydrophobicContact CD1-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CD2 4.05Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.92Å; L77-L79 HydrophobicContact CG-CG 4.21Å; L79-A83 HydrophobicContact CB-CB 4.1Å; L79-A83 HydrophobicContact CD1-CB 4.48Å; L79-A83 HydrophobicContact CD2-CB 4.15Å; L79-A83 HydrophobicContact CG-CB 4.48Å; L79-F85 HydrophobicContact CD1-CB 3.72Å; L79-F85 HydrophobicContact CD1-CD1 4.28Å; L79-F85 HydrophobicContact CD1-CD2 3.49Å; L79-F85 VanDerWaalsContact CD1-CD2 3.49Å; L79-F85 HydrophobicContact CD1-CE2 4.12Å; L79-F85 HydrophobicContact CD1-CG 3.57Å; L79-L92 HydrophobicContact CD1-CD1 3.66Å; L79-L92 HydrophobicContact CD1-CD2 4.34Å; L79-L92 HydrophobicContact CG-CD1 4.16Å
80	T	95.1	Very high	84.1	Confident	49 Å²	49	92.5 Å²	92.5	30%	0.301	46%	0.457	S	S	.	.			trans	-89.2	163.9	167	70.3	0	0	0	0	109.9	T34 R82 A83	T34-T80 WeakPolarHBondContact CA-OG1 3.25Å; T34-T80 WeakPolarHBondContact O-CB 3.43Å; T34-T80 WeakPolarHBondContact O-CG2 3.47Å; T34-T80 PolarHBondContact O-N 3.12Å; T34-T80 PolarHBondContact O-OG1 2.87Å; T80-R82 PolarHBondContact O-N 3.19Å; T80-R82 PolarHBondContact OG1-N 3.39Å; T80-A83 VanDerWaalsContact O-CB 3.28Å; T80-A83 WeakPolarHBondContact O-CB 3.42Å; T80-A83 PolarHBondContact O-N 3.32Å
81	D	91.1	Very high	86.6	Confident	161 Å²	161	92.3 Å²	92.3	86%	0.861	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-57	-26.7	176.9	-61	-22.8	0	0	0	113.2	A83 E84	D81-A83 PolarHBondContact O-N 3.09Å; D81-E84 PolarHBondContact O-N 3.23Å; D81-E84 VanDerWaalsContact O-N 3.12Å
82	R	92.1	Very high	88.7	Confident	130 Å²	130	87.4 Å²	87.4	49%	0.491	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-68.7	-14.6	177.3	-61	-172.8	-64.4	-174.4	2	114	P33 T34 T80 E84	P33-R82 PolarHBondContact O-NH2 2.85Å; T34-R82 HydrophobicContact CG2-CB 4.03Å; T80-R82 PolarHBondContact O-N 3.19Å; T80-R82 PolarHBondContact OG1-N 3.39Å; R82-E84 PolarHBondContact O-N 3Å
83	A	93.3	Very high	89.9	Confident	3 Å²	3	87.6 Å²	87.6	3%	0.025	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-73.8	-14.2	173.4	0	0	0	0	0	112.2	L79 T80 D81 F85	L79-A83 HydrophobicContact CB-CB 4.1Å; L79-A83 HydrophobicContact CD1-CB 4.48Å; L79-A83 HydrophobicContact CD2-CB 4.15Å; L79-A83 HydrophobicContact CG-CB 4.48Å; T80-A83 VanDerWaalsContact O-CB 3.28Å; T80-A83 WeakPolarHBondContact O-CB 3.42Å; T80-A83 PolarHBondContact O-N 3.32Å; D81-A83 PolarHBondContact O-N 3.09Å; A83-F85 PolarHBondContact O-N 3.47Å
84	E	91.4	Very high	90.8	Very high	152 Å²	152	91.6 Å²	91.6	71%	0.71	42%	0.423	S	S	*	.			trans	49.7	44.6	179.4	-60.6	-174.8	175.9	0	0	112.7	D81 R82 Q86	D81-E84 PolarHBondContact O-N 3.23Å; D81-E84 VanDerWaalsContact O-N 3.12Å; R82-E84 PolarHBondContact O-N 3Å; E84-Q86 WeakPolarHBondContact O-CG 3.43Å; E84-Q86 PolarHBondContact O-N 3.28Å
85	F	92.8	Very high	91.2	Very high	52 Å²	52	86 Å²	86	23%	0.228	40%	0.399	C	S	.	.			trans	-64.3	127.8	-175.7	-168.3	-114	0	0	0	111.8	L79 A83 Y87 L92 S137 S138 I141	L79-F85 HydrophobicContact CD1-CB 3.72Å; L79-F85 HydrophobicContact CD1-CD1 4.28Å; L79-F85 HydrophobicContact CD1-CD2 3.49Å; L79-F85 VanDerWaalsContact CD1-CD2 3.49Å; L79-F85 HydrophobicContact CD1-CE2 4.12Å; L79-F85 HydrophobicContact CD1-CG 3.57Å; A83-F85 PolarHBondContact O-N 3.47Å; F85-Y87 WeakPolarHBondContact CD1-O 3.41Å; F85-Y87 WeakPolarHBondContact CE1-O 3.42Å; F85-Y87 HydrophobicContact CE2-CD2 4.4Å; F85-Y87 HydrophobicContact CZ-CD2 4.48Å; F85-L92 HydrophobicContact CE1-CB 3.95Å; F85-L92 HydrophobicContact CE1-CD1 4.28Å; F85-L92 HydrophobicContact CE2-CD1 4.11Å; F85-L92 HydrophobicContact CZ-CB 3.95Å; F85-L92 HydrophobicContact CZ-CD1 3.87Å; F85-L92 HydrophobicContact CZ-CG 4.46Å; F85-S137 WeakPolarHBondContact CD2-OG 3.37Å; F85-S138 WeakPolarHBondContact CA-OG 3.24Å; F85-S138 WeakPolarHBondContact CD2-OG 3.42Å; F85-I141 HydrophobicContact CE2-CD1 3.75Å; F85-I141 HydrophobicContact CZ-CD1 3.79Å
86	Q	92.3	Very high	91.3	Very high	156 Å²	156	85.3 Å²	85.3	73%	0.729	40%	0.399	S	S	*	.			trans	-102.8	-5	-169.6	-60.5	-177.3	-17.3	0	0	114	E84 S138	E84-Q86 WeakPolarHBondContact O-CG 3.43Å; E84-Q86 PolarHBondContact O-N 3.28Å; Q86-S138 PolarHBondContact N-OG 2.81Å
87	Y	90.4	Very high	91.5	Very high	72 Å²	72	81.5 Å²	81.5	28%	0.282	38%	0.383	S	S	.	.	S	Bend	trans	-108.4	176.1	-175.1	-66	-93.6	0	0	0	111.7	F85 D91 S138 I141 G142	F85-Y87 WeakPolarHBondContact CD1-O 3.41Å; F85-Y87 WeakPolarHBondContact CE1-O 3.42Å; F85-Y87 HydrophobicContact CE2-CD2 4.4Å; F85-Y87 HydrophobicContact CZ-CD2 4.48Å; Y87-D91 HydrophobicContact CG-CB 4.44Å; Y87-S138 VanDerWaalsContact CE2-O 3.22Å; Y87-S138 WeakPolarHBondContact CE2-O 3.28Å; Y87-I141 HydrophobicContact CD1-CG2 3.96Å; Y87-I141 HydrophobicContact CD2-CB 4.35Å; Y87-I141 HydrophobicContact CD2-CD1 4.17Å; Y87-I141 HydrophobicContact CD2-CG2 4.33Å; Y87-I141 HydrophobicContact CE1-CG2 3.73Å; Y87-I141 HydrophobicContact CE2-CB 4.08Å; Y87-I141 HydrophobicContact CE2-CG2 4.13Å; Y87-I141 HydrophobicContact CG-CD1 4.34Å; Y87-I141 HydrophobicContact CG-CG2 4.26Å; Y87-G142 WeakPolarHBondContact OH-CA 3.41Å; Y87-G142 PolarHBondContact OH-N 2.87Å
88	N	88.4	Confident	91.6	Very high	88 Å²	88	80.9 Å²	80.9	47%	0.471	38%	0.379	S	S	.	.			trans	-89	171.2	179.7	70.2	67.7	0	0	0	111.6	R90 D91 L92	N88-R90 VanDerWaalsContact C-N 3.27Å; N88-R90 PolarHBondContact O-N 3.03Å; N88-R90 WeakPolarHBondContact OD1-CA 3.35Å; N88-R90 VanDerWaalsContact OD1-CB 3.24Å; N88-R90 WeakPolarHBondContact OD1-CB 3.35Å; N88-R90 PolarHBondContact OD1-N 3.02Å; N88-D91 PolarHBondContact N-OD2 3.01Å; N88-D91 PolarHBondContact ND2-OD2 3.04Å; N88-D91 PolarHBondContact O-N 3.49Å; N88-D91 VanDerWaalsContact O-N 3.17Å; N88-D91 PolarHBondContact OD1-N 3.18Å; N88-D91 PolarHBondContact OD1-OD2 2.88Å; N88-L92 PolarHBondContact O-N 3.21Å
89	Q	86.8	Confident	91.7	Very high	118 Å²	118	77.3 Å²	77.3	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-59.2	-33.7	-177.8	-173.2	59.5	49.3	0	0	113.7	D91 L92 D93	Q89-D91 VanDerWaalsContact C-N 3.32Å; Q89-D91 PolarHBondContact O-N 3.19Å; Q89-L92 WeakPolarHBondContact O-CB 3.37Å; Q89-L92 PolarHBondContact O-N 3.21Å; Q89-L92 VanDerWaalsContact O-N 3.14Å; Q89-D93 PolarHBondContact NE2-OD1 2.83Å; Q89-D93 PolarHBondContact O-N 3.33Å
90	R	86.4	Confident	91.8	Very high	201 Å²	201	77 Å²	77	76%	0.758	36%	0.362	S	S	*	.	H	α-helix	trans	-65.6	-38.7	179.3	-57.8	-179.4	-173.9	166.3	2.3	111.4	N88 L92 D93 E94	N88-R90 VanDerWaalsContact C-N 3.27Å; N88-R90 PolarHBondContact O-N 3.03Å; N88-R90 WeakPolarHBondContact OD1-CA 3.35Å; N88-R90 VanDerWaalsContact OD1-CB 3.24Å; N88-R90 WeakPolarHBondContact OD1-CB 3.35Å; N88-R90 PolarHBondContact OD1-N 3.02Å; R90-L92 PolarHBondContact O-N 3.42Å; R90-D93 PolarHBondContact O-N 3.23Å; R90-E94 PolarHBondContact O-N 2.93Å
91	D	87.7	Confident	91.9	Very high	55 Å²	55	83.3 Å²	83.3	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-34.7	176.1	-57.3	-55.6	0	0	0	110.9	Y87 N88 Q89 I141	Y87-D91 HydrophobicContact CG-CB 4.44Å; N88-D91 PolarHBondContact N-OD2 3.01Å; N88-D91 PolarHBondContact ND2-OD2 3.04Å; N88-D91 PolarHBondContact O-N 3.49Å; N88-D91 VanDerWaalsContact O-N 3.17Å; N88-D91 PolarHBondContact OD1-N 3.18Å; N88-D91 PolarHBondContact OD1-OD2 2.88Å; Q89-D91 VanDerWaalsContact C-N 3.32Å; Q89-D91 PolarHBondContact O-N 3.19Å; D91-I141 HydrophobicContact CB-CD1 4.29Å
92	L	86.9	Confident	92.3	Very high	17 Å²	17	75.8 Å²	75.8	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-70.9	-34.9	175.6	-169	64.1	0	0	0	112.4	L77 L79 F85 N88 Q89 R90 E94 V95	L77-L92 HydrophobicContact CD2-CD1 3.69Å; L77-L92 HydrophobicContact CG-CD1 4.29Å; L79-L92 HydrophobicContact CD1-CD1 3.66Å; L79-L92 HydrophobicContact CD1-CD2 4.34Å; L79-L92 HydrophobicContact CG-CD1 4.16Å; F85-L92 HydrophobicContact CE1-CB 3.95Å; F85-L92 HydrophobicContact CE1-CD1 4.28Å; F85-L92 HydrophobicContact CE2-CD1 4.11Å; F85-L92 HydrophobicContact CZ-CB 3.95Å; F85-L92 HydrophobicContact CZ-CD1 3.87Å; F85-L92 HydrophobicContact CZ-CG 4.46Å; N88-L92 PolarHBondContact O-N 3.21Å; Q89-L92 WeakPolarHBondContact O-CB 3.37Å; Q89-L92 PolarHBondContact O-N 3.21Å; Q89-L92 VanDerWaalsContact O-N 3.14Å; R90-L92 PolarHBondContact O-N 3.42Å; L92-E94 PolarHBondContact O-N 2.77Å; L92-V95 VanDerWaalsContact O-CB 3.29Å; L92-V95 WeakPolarHBondContact O-CB 3.39Å; L92-V95 PolarHBondContact O-N 3.14Å; L92-V95 VanDerWaalsContact O-N 3.07Å
93	D	86.4	Confident	92.6	Very high	108 Å²	108	74.6 Å²	74.6	58%	0.578	35%	0.352	S	S	*	.	H	α-helix	trans	-67.2	-23.3	179.5	-64.1	-24.8	0	0	0	112.7	Q89 R90 V95	Q89-D93 PolarHBondContact NE2-OD1 2.83Å; Q89-D93 PolarHBondContact O-N 3.33Å; R90-D93 PolarHBondContact O-N 3.23Å; D93-V95 VanDerWaalsContact C-N 3.26Å; D93-V95 PolarHBondContact O-N 3.01Å
94	E	86.1	Confident	92.8	Very high	127 Å²	127	80.9 Å²	80.9	59%	0.593	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.4	173.7	-63.6	-62	144.6	0	0	113.4	R90 L92 E96	R90-E94 PolarHBondContact O-N 2.93Å; L92-E94 PolarHBondContact O-N 2.77Å; E94-E96 PolarHBondContact O-N 2.85Å
95	V	93.9	Very high	93.1	Very high	11 Å²	11	74.9 Å²	74.9	7%	0.067	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	106.2	177.1	-176.9	0	0	0	0	109.7	L77 L92 D93 V97 M111 I113 I141	L77-V95 HydrophobicContact CD2-CB 4.28Å; L77-V95 HydrophobicContact CD2-CG1 3.74Å; L92-V95 VanDerWaalsContact O-CB 3.29Å; L92-V95 WeakPolarHBondContact O-CB 3.39Å; L92-V95 PolarHBondContact O-N 3.14Å; L92-V95 VanDerWaalsContact O-N 3.07Å; D93-V95 VanDerWaalsContact C-N 3.26Å; D93-V95 PolarHBondContact O-N 3.01Å; V95-V97 HydrophobicContact CG1-CG1 4.16Å; V95-M111 HydrophobicContact CG1-CE 4.06Å; V95-M111 HydrophobicContact CG1-CG 3.45Å; V95-M111 VanDerWaalsContact CG1-CG 3.45Å; V95-M111 HydrophobicContact CG1-SD 3.96Å; V95-I113 HydrophobicContact CG1-CG1 4.2Å; V95-I113 HydrophobicContact CG2-CD1 4.19Å; V95-I113 HydrophobicContact CG2-CG1 4.16Å; V95-I113 HydrophobicContact CG2-CG2 4.39Å; V95-I141 HydrophobicContact CG2-CD1 4.43Å
96	E	95.9	Very high	93.3	Very high	60 Å²	60	73.6 Å²	73.6	28%	0.28	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.7	173.3	-173.6	177.1	163.5	0	0	110	E94 M111 Y112 R185 Y186	E94-E96 PolarHBondContact O-N 2.85Å; E96-M111 CarbonylContact O-C 3.48Å; E96-M111 WeakPolarHBondContact O-CA 3.34Å; E96-Y112 PolarHBondContact N-O 3.25Å; E96-Y112 PolarHBondContact O-N 2.89Å; E96-R185 IonicContact OE1-CZ 2.72Å; E96-R185 VanDerWaalsContact OE1-CZ 3.29Å; E96-R185 IonicContact OE1-NE 3.98Å; E96-R185 PolarHBondContact OE1-NE 3.19Å; E96-R185 IonicContact OE1-NH2 2.89Å; E96-R185 PolarHBondContact OE1-NH2 3.22Å; E96-Y186 PolarHBondContact OE1-OH 2.85Å; E96-Y186 VanDerWaalsContact OE1-OH 3.07Å; E96-Y186 WeakPolarHBondContact OE2-CE1 3.4Å; E96-Y186 PolarHBondContact OE2-OH 3.46Å
97	V	97.6	Very high	93.6	Very high	5 Å²	5	72 Å²	72	3%	0.03	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.5	175.6	-67.5	0	0	0	0	111.7	F37 W75 L77 V95 C110 M111	F37-V97 HydrophobicContact CD1-CB 3.91Å; F37-V97 HydrophobicContact CD1-CG1 4.3Å; F37-V97 HydrophobicContact CD1-CG2 3.78Å; F37-V97 HydrophobicContact CD2-CB 4.43Å; F37-V97 HydrophobicContact CE1-CB 3.4Å; F37-V97 HydrophobicContact CE1-CG1 3.51Å; F37-V97 HydrophobicContact CE1-CG2 3.81Å; F37-V97 HydrophobicContact CE2-CB 4Å; F37-V97 HydrophobicContact CG-CB 4.43Å; F37-V97 HydrophobicContact CG-CG2 4.22Å; F37-V97 HydrophobicContact CZ-CB 3.49Å; F37-V97 VanDerWaalsContact CZ-CB 3.49Å; F37-V97 HydrophobicContact CZ-CG1 3.82Å; F37-V97 HydrophobicContact CZ-CG2 4.28Å; W75-V97 HydrophobicContact CB-CG2 4Å; L77-V97 HydrophobicContact CB-CG1 3.95Å; L77-V97 HydrophobicContact CB-CG2 4.01Å; L77-V97 HydrophobicContact CD1-CG1 4.27Å; L77-V97 HydrophobicContact CD2-CG1 4.3Å; L77-V97 HydrophobicContact CG-CG1 4.42Å; V95-V97 HydrophobicContact CG1-CG1 4.16Å; V97-C110 WeakPolarHBondContact CA-O 3.47Å; V97-M111 HydrophobicContact CG1-CB 4.33Å; V97-M111 HydrophobicContact CG1-CG 4.39Å
98	F	97.6	Very high	94	Very high	7 Å²	7	68.6 Å²	68.6	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	168.8	-179.9	67.1	-78.4	0	0	0	110.7	F37 C110 F152 A181 Y186	F37-F98 WeakPolarHBondContact CE2-O 3.38Å; F98-C110 HydrophobicContact CD1-CB 4.11Å; F98-C110 HydrophobicContact CD2-CB 4.45Å; F98-C110 HydrophobicContact CE1-CB 3.66Å; F98-C110 HydrophobicContact CE2-CB 4.05Å; F98-C110 HydrophobicContact CG-CB 4.47Å; F98-C110 HydrophobicContact CZ-CB 3.63Å; F98-C110 PolarHBondContact N-O 2.9Å; F98-C110 VanDerWaalsContact N-O 3.13Å; F98-C110 PolarHBondContact O-N 3.42Å; F98-F152 AromaticContact CE1-CE2 3.84Å; F98-F152 HydrophobicContact CE1-CE2 3.84Å; F98-F152 HydrophobicContact CE1-CZ 4.36Å; F98-F152 AromaticContact CZ-CE2 3.65Å; F98-F152 HydrophobicContact CZ-CE2 3.65Å; F98-F152 AromaticContact CZ-CZ 3.89Å; F98-F152 HydrophobicContact CZ-CZ 3.89Å; F98-A181 HydrophobicContact CE2-CB 3.93Å; F98-A181 HydrophobicContact CZ-CB 3.99Å; F98-Y186 AromaticContact CE1-CE2 3.95Å; F98-Y186 HydrophobicContact CE1-CE2 3.95Å; F98-Y186 WeakPolarHBondContact CE1-OH 3.4Å; F98-Y186 HydrophobicContact CZ-CE2 4.2Å
99	F	98.1	Very high	94.5	Very high	27 Å²	27	64.4 Å²	64.4	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.7	173.7	-70.1	-69.4	0	0	0	110.5	F37 W75 R107 V108 V161	F37-F99 HydrophobicContact CB-CE2 4.16Å; F37-F99 HydrophobicContact CB-CZ 4.13Å; F37-F99 HydrophobicContact CD2-CD1 4.25Å; F37-F99 HydrophobicContact CD2-CD2 4.12Å; F37-F99 AromaticContact CD2-CE1 3.8Å; F37-F99 HydrophobicContact CD2-CE1 3.8Å; F37-F99 AromaticContact CD2-CE2 3.62Å; F37-F99 HydrophobicContact CD2-CE2 3.62Å; F37-F99 HydrophobicContact CD2-CG 4.42Å; F37-F99 AromaticContact CD2-CZ 3.45Å; F37-F99 HydrophobicContact CD2-CZ 3.45Å; F37-F99 VanDerWaalsContact CD2-CZ 3.45Å; F37-F99 HydrophobicContact CE2-CD1 4.28Å; F37-F99 HydrophobicContact CE2-CE1 4.08Å; F37-F99 HydrophobicContact CE2-CZ 4.21Å; F37-F99 HydrophobicContact CG-CE2 4.39Å; F37-F99 HydrophobicContact CG-CZ 4.17Å; W75-F99 HydrophobicContact CD2-CD2 4.2Å; W75-F99 AromaticContact CD2-CE2 3.98Å; W75-F99 HydrophobicContact CD2-CE2 3.98Å; W75-F99 AromaticContact CE2-CD2 3.64Å; W75-F99 AromaticContact CE2-CE2 3.77Å; W75-F99 HydrophobicContact CE3-CE2 4.16Å; W75-F99 HydrophobicContact CH2-CD2 4.43Å; W75-F99 AromaticContact CH2-CE2 3.97Å; W75-F99 HydrophobicContact CH2-CE2 3.97Å; W75-F99 AromaticContact CZ2-CD2 3.79Å; W75-F99 HydrophobicContact CZ2-CD2 3.79Å; W75-F99 AromaticContact CZ2-CE2 3.79Å; W75-F99 HydrophobicContact CZ2-CE2 3.79Å; W75-F99 HydrophobicContact CZ3-CE2 4.14Å; W75-F99 AromaticContact NE1-CD2 3.78Å; F99-R107 HydrophobicContact CB-CG 3.67Å; F99-R107 HydrophobicContact CD1-CG 3.46Å; F99-R107 VanDerWaalsContact CD1-CG 3.46Å; F99-R107 HydrophobicContact CD2-CG 4.48Å; F99-R107 HydrophobicContact CE1-CG 4.16Å; F99-R107 HydrophobicContact CG-CG 3.63Å; F99-V108 CarbonylContact C-O 3.54Å; F99-V108 VanDerWaalsContact CA-O 3.3Å; F99-V108 WeakPolarHBondContact CA-O 3.38Å; F99-V161 HydrophobicContact CE1-CB 4.08Å; F99-V161 HydrophobicContact CE1-CG2 3.5Å; F99-V161 HydrophobicContact CZ-CB 4.23Å; F99-V161 HydrophobicContact CZ-CG2 3.92Å
100	T	97.6	Very high	95	Very high	19 Å²	19	58.8 Å²	58.8	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	168.7	162	-171.9	0	0	0	0	109.9	R107 V108 C110 A177	T100-R107 WeakPolarHBondContact O-CA 3.47Å; T100-V108 HydrophobicContact CG2-CB 3.8Å; T100-V108 HydrophobicContact CG2-CG1 4.13Å; T100-V108 PolarHBondContact N-O 2.81Å; T100-V108 PolarHBondContact O-N 2.96Å; T100-C110 VanDerWaalsContact CG2-SG 3.58Å; T100-A177 HydrophobicContact CG2-CB 3.72Å
101	R	98.1	Very high	95.6	Very high	180 Å²	180	49.2 Å²	49.2	68%	0.679	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116	122.2	179.1	-173.4	169.6	-116.3	-91.4	-8.2	110.4	G105 N106	R101-G105 VanDerWaalsContact NH1-CA 3.35Å; R101-G105 PolarHBondContact NH1-O 2.89Å; R101-G105 PolarHBondContact NH2-O 2.89Å; R101-N106 WeakPolarHBondContact CA-O 3.46Å
102	S	98.5	Very high	96.1	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.028	23%	0.226	C	C	.	.			trans	-75	158.6	175.3	74.3	0	0	0	0	112.1	R104 G105 N106 A173 D174	S102-R104 PolarHBondContact O-N 2.81Å; S102-G105 PolarHBondContact O-N 2.77Å; S102-N106 PolarHBondContact N-O 3.25Å; S102-N106 PolarHBondContact OG-N 2.91Å; S102-A173 WeakPolarHBondContact CB-O 3.33Å; S102-D174 WeakPolarHBondContact CB-OD1 3.41Å; S102-D174 PolarHBondContact OG-OD1 2.88Å
103	S	98.2	Very high	96.5	Very high	104 Å²	104	46.3 Å²	46.3	73%	0.727	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.2	176	61	0	0	0	0	113.1
104	R	97.7	Very high	96.8	Very high	136 Å²	136	47.3 Å²	47.3	51%	0.513	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	4.7	176	-61	-172	60.3	69.3	12.2	113.4	S102 K169 N170 A173	S102-R104 PolarHBondContact O-N 2.81Å; R104-K169 VanDerWaalsContact CD-O 3.26Å; R104-K169 WeakPolarHBondContact CD-O 3.46Å; R104-N170 WeakPolarHBondContact CD-OD1 3.31Å; R104-N170 PolarHBondContact NE-OD1 2.91Å; R104-A173 HydrophobicContact CB-CB 4.26Å; R104-A173 HydrophobicContact CG-CB 3.63Å
105	G	97.4	Very high	96.7	Very high	26 Å²	26	43 Å²	43	27%	0.268	20%	0.2	S	C	.	.	S	Bend	trans	83.8	7.9	172.9	0	0	0	0	0	115.1	R101 S102	R101-G105 VanDerWaalsContact NH1-CA 3.35Å; R101-G105 PolarHBondContact NH1-O 2.89Å; R101-G105 PolarHBondContact NH2-O 2.89Å; S102-G105 PolarHBondContact O-N 2.77Å
106	N	98.3	Very high	95.7	Very high	24 Å²	24	43.7 Å²	43.7	13%	0.128	21%	0.208	C	C	.	.			trans	-80.8	142.7	175.1	-56.1	-36.9	0	0	0	109.7	R101 S102 S157 N170	R101-N106 WeakPolarHBondContact CA-O 3.46Å; S102-N106 PolarHBondContact N-O 3.25Å; S102-N106 PolarHBondContact OG-N 2.91Å; N106-S157 PolarHBondContact ND2-OG 3.19Å; N106-N170 VanDerWaalsContact ND2-CG 3.34Å; N106-N170 PolarHBondContact ND2-ND2 3.42Å; N106-N170 PolarHBondContact ND2-OD1 3.46Å
107	R	98.1	Very high	94.7	Very high	123 Å²	123	45.5 Å²	45.5	46%	0.464	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.8	164.3	-161.8	-162.4	-27.2	-84.1	-2.1	108.5	F99 T100 S162 T163	F99-R107 HydrophobicContact CB-CG 3.67Å; F99-R107 HydrophobicContact CD1-CG 3.46Å; F99-R107 VanDerWaalsContact CD1-CG 3.46Å; F99-R107 HydrophobicContact CD2-CG 4.48Å; F99-R107 HydrophobicContact CE1-CG 4.16Å; F99-R107 HydrophobicContact CG-CG 3.63Å; T100-R107 WeakPolarHBondContact O-CA 3.47Å; R107-S162 CarbonylContact O-C 3.6Å; R107-S162 WeakPolarHBondContact O-CA 3.23Å; R107-T163 HydrophobicContact CB-CG2 4.05Å; R107-T163 WeakPolarHBondContact CB-OG1 3.2Å; R107-T163 PolarHBondContact N-OG1 2.99Å; R107-T163 PolarHBondContact O-N 3.35Å; R107-T163 PolarHBondContact O-OG1 3.2Å
108	V	98.6	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.2	-176.6	174.8	0	0	0	0	108.2	F99 T100 Y154 D155 S162 D174	F99-V108 CarbonylContact C-O 3.54Å; F99-V108 VanDerWaalsContact CA-O 3.3Å; F99-V108 WeakPolarHBondContact CA-O 3.38Å; T100-V108 HydrophobicContact CG2-CB 3.8Å; T100-V108 HydrophobicContact CG2-CG1 4.13Å; T100-V108 PolarHBondContact N-O 2.81Å; T100-V108 PolarHBondContact O-N 2.96Å; V108-Y154 HydrophobicContact CG1-CD2 4.09Å; V108-D155 WeakPolarHBondContact CG1-O 3.47Å; V108-S162 WeakPolarHBondContact CA-OG 3.44Å; V108-D174 HydrophobicContact CG2-CB 4.08Å; V108-D174 VanDerWaalsContact CG2-OD1 3.31Å; V108-D174 WeakPolarHBondContact CG2-OD1 2.99Å
109	G	98.4	Very high	93.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.3	173	0	0	0	0	0	110.6	Y154 D155 S162	G109-Y154 VanDerWaalsContact O-CA 3.23Å; G109-Y154 WeakPolarHBondContact O-CA 3.46Å; G109-D155 PolarHBondContact O-N 2.86Å; G109-S162 PolarHBondContact N-OG 2.95Å
110	C	98.6	Very high	93.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.6	178	-63.9	0	0	0	0	110.5	F37 V97 F98 T100 F152 S153	F37-C110 WeakPolarHBondContact CZ-O 3.45Å; V97-C110 WeakPolarHBondContact CA-O 3.47Å; F98-C110 HydrophobicContact CD1-CB 4.11Å; F98-C110 HydrophobicContact CD2-CB 4.45Å; F98-C110 HydrophobicContact CE1-CB 3.66Å; F98-C110 HydrophobicContact CE2-CB 4.05Å; F98-C110 HydrophobicContact CG-CB 4.47Å; F98-C110 HydrophobicContact CZ-CB 3.63Å; F98-C110 PolarHBondContact N-O 2.9Å; F98-C110 VanDerWaalsContact N-O 3.13Å; F98-C110 PolarHBondContact O-N 3.42Å; T100-C110 VanDerWaalsContact CG2-SG 3.58Å; C110-F152 HydrophobicContact CB-CE1 4.36Å; C110-F152 HydrophobicContact CB-CE2 4.35Å; C110-F152 HydrophobicContact CB-CZ 3.77Å; C110-S153 WeakPolarHBondContact CA-O 3.36Å
111	M	98.3	Very high	93.3	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.1	177.2	177.1	-174.8	-75.7	0	0	108.7	L77 V95 E96 V97 I113 L133 Y140 F152 S153	L77-M111 HydrophobicContact CD1-CE 4.47Å; L77-M111 HydrophobicContact CD2-CE 3.65Å; V95-M111 HydrophobicContact CG1-CE 4.06Å; V95-M111 HydrophobicContact CG1-CG 3.45Å; V95-M111 VanDerWaalsContact CG1-CG 3.45Å; V95-M111 HydrophobicContact CG1-SD 3.96Å; E96-M111 CarbonylContact O-C 3.48Å; E96-M111 WeakPolarHBondContact O-CA 3.34Å; V97-M111 HydrophobicContact CG1-CB 4.33Å; V97-M111 HydrophobicContact CG1-CG 4.39Å; M111-I113 HydrophobicContact CG-CD1 4.4Å; M111-I113 HydrophobicContact CG-CG1 4.06Å; M111-I113 HydrophobicContact SD-CD1 3.96Å; M111-I113 HydrophobicContact SD-CG1 4.29Å; M111-L133 HydrophobicContact CB-CD1 3.98Å; M111-L133 HydrophobicContact CB-CD2 4.3Å; M111-L133 HydrophobicContact CE-CB 3.9Å; M111-L133 WeakPolarHBondContact CE-O 3.49Å; M111-Y140 HydrophobicContact SD-CD2 3.95Å; M111-Y140 HydrophobicContact SD-CE2 4.44Å; M111-F152 CarbonylContact O-C 3.5Å; M111-F152 WeakPolarHBondContact O-CA 3.37Å; M111-S153 PolarHBondContact N-O 3.44Å; M111-S153 PolarHBondContact O-N 2.72Å
112	Y	97.8	Very high	93.3	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.8	175.7	-175.2	-131.9	0	0	0	110.7	E96 R114 T122 N150 I151 F152 Y186	E96-Y112 PolarHBondContact N-O 3.25Å; E96-Y112 PolarHBondContact O-N 2.89Å; Y112-R114 HydrophobicContact CD1-CG 4.27Å; Y112-R114 HydrophobicContact CE1-CG 3.77Å; Y112-R114 VanDerWaalsContact CE1-CZ 3.42Å; Y112-T122 HydrophobicContact CE2-CG2 3.72Å; Y112-N150 HydrophobicContact CE2-CB 3.79Å; Y112-N150 PolarHBondContact OH-ND2 2.69Å; Y112-I151 CarbonylContact C-O 3.29Å; Y112-I151 WeakPolarHBondContact CA-O 3.42Å; Y112-I151 WeakPolarHBondContact CD2-O 3.15Å; Y112-F152 HydrophobicContact CD2-CB 3.84Å; Y112-F152 AromaticContact CD2-CD2 3.92Å; Y112-F152 HydrophobicContact CD2-CD2 3.92Å; Y112-F152 HydrophobicContact CD2-CG 4.38Å; Y112-F152 HydrophobicContact CE2-CB 4.4Å; Y112-F152 HydrophobicContact CG-CD2 4.16Å; Y112-Y186 AromaticContact CD1-CD1 3.89Å; Y112-Y186 HydrophobicContact CD1-CD1 3.89Å; Y112-Y186 HydrophobicContact CD1-CD2 4.12Å; Y112-Y186 AromaticContact CD1-CE1 3.4Å; Y112-Y186 HydrophobicContact CD1-CE1 3.4Å; Y112-Y186 AromaticContact CD1-CE2 3.67Å; Y112-Y186 HydrophobicContact CD1-CE2 3.67Å; Y112-Y186 HydrophobicContact CD1-CG 4.21Å; Y112-Y186 AromaticContact CD1-CZ 3.26Å; Y112-Y186 AromaticContact CE1-CD1 3.7Å; Y112-Y186 HydrophobicContact CE1-CD1 3.7Å; Y112-Y186 HydrophobicContact CE1-CD2 4.2Å; Y112-Y186 AromaticContact CE1-CE1 3.71Å; Y112-Y186 HydrophobicContact CE1-CE1 3.71Å; Y112-Y186 HydrophobicContact CE1-CE2 4.21Å; Y112-Y186 AromaticContact CE1-CG 3.94Å; Y112-Y186 HydrophobicContact CE1-CG 3.94Å; Y112-Y186 AromaticContact CE1-CZ 3.96Å; Y112-Y186 HydrophobicContact CG-CD2 4.46Å; Y112-Y186 HydrophobicContact CG-CE1 4.37Å; Y112-Y186 AromaticContact CG-CE2 3.88Å; Y112-Y186 HydrophobicContact CG-CE2 3.88Å; Y112-Y186 AromaticContact CG-CZ 3.81Å
113	I	95.4	Very high	93.3	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.8	-175.5	-44.3	-172.8	0	0	0	108.3	V95 M111 V115 Y140 I141 N150 I151	V95-I113 HydrophobicContact CG1-CG1 4.2Å; V95-I113 HydrophobicContact CG2-CD1 4.19Å; V95-I113 HydrophobicContact CG2-CG1 4.16Å; V95-I113 HydrophobicContact CG2-CG2 4.39Å; M111-I113 HydrophobicContact CG-CD1 4.4Å; M111-I113 HydrophobicContact CG-CG1 4.06Å; M111-I113 HydrophobicContact SD-CD1 3.96Å; M111-I113 HydrophobicContact SD-CG1 4.29Å; I113-V115 HydrophobicContact CB-CG2 4.11Å; I113-V115 HydrophobicContact CG2-CG2 3.54Å; I113-V115 PolarHBondContact O-N 2.93Å; I113-Y140 HydrophobicContact CD1-CD2 4.47Å; I113-I141 HydrophobicContact CD1-CG1 3.88Å; I113-I141 HydrophobicContact CG2-CG1 4.03Å; I113-N150 WeakPolarHBondContact O-CA 3.26Å; I113-N150 WeakPolarHBondContact O-CB 3.26Å; I113-I151 PolarHBondContact N-O 2.95Å; I113-I151 PolarHBondContact O-N 3.43Å
114	R	92.6	Very high	93.4	Very high	129 Å²	129	43.5 Å²	43.5	49%	0.487	23%	0.231	S	C	.	.			trans	-89.2	90.5	175.8	-66.2	-177.6	-172	-84.3	4.3	109.4	Y112 N150	Y112-R114 HydrophobicContact CD1-CG 4.27Å; Y112-R114 HydrophobicContact CE1-CG 3.77Å; Y112-R114 VanDerWaalsContact CE1-CZ 3.42Å; R114-N150 WeakPolarHBondContact CA-OD1 3.48Å
115	V	83.4	Confident	93.4	Very high	36 Å²	36	37 Å²	37	22%	0.218	21%	0.207	C	C	.	.			trans	-88.1	-25.4	-171.7	-166	0	0	0	0	112.8	I113 S145 N150	I113-V115 HydrophobicContact CB-CG2 4.11Å; I113-V115 HydrophobicContact CG2-CG2 3.54Å; I113-V115 PolarHBondContact O-N 2.93Å; V115-S145 VanDerWaalsContact CG1-CA 3.43Å; V115-S145 WeakPolarHBondContact CG1-OG 3.36Å; V115-N150 PolarHBondContact N-OD1 3.08Å
116	A	74.5	Confident	93.5	Very high	27 Å²	27	35.8 Å²	35.8	22%	0.223	19%	0.194	C	C	.	.			trans	-135.5	126.8	175.9	0	0	0	0	0	111	N118 A119	A116-N118 PolarHBondContact O-N 3.41Å; A116-A119 HydrophobicContact CB-CB 4.03Å; A116-A119 PolarHBondContact O-N 3Å; A116-A119 VanDerWaalsContact O-N 3.11Å
117	G	74	Confident	93.5	Very high	98 Å²	98	34.7 Å²	34.7	100%	1.01	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.4	-175.8	0	0	0	0	0	115.1
118	N	81.3	Confident	93.4	Very high	150 Å²	150	29.1 Å²	29.1	80%	0.802	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130	25.1	177.7	67.1	-17.4	0	0	0	113.3	A116 R120	A116-N118 PolarHBondContact O-N 3.41Å; N118-R120 PolarHBondContact O-N 2.91Å; N118-R120 VanDerWaalsContact O-N 3.15Å
119	A	90.8	Very high	93.2	Very high	21 Å²	21	31.2 Å²	31.2	17%	0.174	18%	0.18	C	C	.	.			trans	-56.3	120.1	176.6	0	0	0	0	0	111.3	A116 F121	A116-A119 HydrophobicContact CB-CB 4.03Å; A116-A119 PolarHBondContact O-N 3Å; A116-A119 VanDerWaalsContact O-N 3.11Å; A119-F121 VanDerWaalsContact C-N 3.35Å
120	R	92.8	Very high	92.9	Very high	119 Å²	119	33.6 Å²	33.6	45%	0.449	20%	0.2	S	C	.	.	S	Bend	trans	-64.1	-42.3	172.8	174.1	177.6	169	179.8	-7	111.1	N118 N192	N118-R120 PolarHBondContact O-N 2.91Å; N118-R120 VanDerWaalsContact O-N 3.15Å; R120-N192 WeakPolarHBondContact O-CB 3.22Å
121	F	97.3	Very high	92.7	Very high	10 Å²	10	35.2 Å²	35.2	4%	0.044	21%	0.21	C	C	.	.			trans	-108.6	147.6	-173.5	-60.2	-66.5	0	0	0	112.1	A119 N150 N192 I194 A215 I310 L314	A119-F121 VanDerWaalsContact C-N 3.35Å; F121-N150 PolarHBondContact O-N 2.78Å; F121-N192 WeakPolarHBondContact CA-O 3.36Å; F121-I194 HydrophobicContact CB-CD1 3.78Å; F121-I194 HydrophobicContact CB-CG1 4.21Å; F121-I194 HydrophobicContact CD1-CD1 4.33Å; F121-I194 HydrophobicContact CD1-CG1 4.31Å; F121-I194 HydrophobicContact CD2-CD1 4.28Å; F121-I194 HydrophobicContact CG-CD1 3.9Å; F121-I194 HydrophobicContact CG-CG1 4.32Å; F121-A215 HydrophobicContact CD1-CB 3.94Å; F121-A215 HydrophobicContact CE1-CB 3.78Å; F121-I310 HydrophobicContact CD2-CG2 3.82Å; F121-I310 HydrophobicContact CE2-CG2 4.31Å; F121-L314 HydrophobicContact CE2-CB 4.26Å; F121-L314 HydrophobicContact CZ-CB 4.03Å
122	T	98.3	Very high	92.7	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.025	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.6	167.2	-61.8	0	0	0	0	109.2	Y112 N150 F152 L182 I188 N192 I193 I194	Y112-T122 HydrophobicContact CE2-CG2 3.72Å; T122-N150 CarbonylContact C-O 3.51Å; T122-N150 WeakPolarHBondContact CA-O 3.38Å; T122-N150 HydrophobicContact CG2-CB 4.03Å; T122-F152 HydrophobicContact CG2-CB 4.15Å; T122-L182 HydrophobicContact CG2-CD1 3.99Å; T122-L182 HydrophobicContact CG2-CD2 4.36Å; T122-I188 HydrophobicContact CG2-CD1 4Å; T122-I188 WeakPolarHBondContact OG1-CD1 3.25Å; T122-N192 PolarHBondContact N-O 3.03Å; T122-I193 WeakPolarHBondContact O-CA 3.37Å; T122-I194 PolarHBondContact O-N 3.17Å
123	V	98.8	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.9	175.9	-179.1	0	0	0	0	108.8	F125 I147 C149 N150 I151 F152 I194 Y196	V123-F125 HydrophobicContact CG1-CB 4.19Å; V123-F125 HydrophobicContact CG1-CD2 4.15Å; V123-I147 HydrophobicContact CG2-CD1 4.18Å; V123-C149 HydrophobicContact CG2-CB 3.94Å; V123-N150 PolarHBondContact N-O 2.78Å; V123-I151 HydrophobicContact CB-CD1 3.76Å; V123-I151 HydrophobicContact CG1-CD1 4.48Å; V123-I151 HydrophobicContact CG2-CD1 3.95Å; V123-F152 PolarHBondContact O-N 3.49Å; V123-F152 VanDerWaalsContact O-O 3.07Å; V123-I194 CarbonylContact C-O 3.57Å; V123-I194 VanDerWaalsContact CA-O 3.28Å; V123-I194 WeakPolarHBondContact CA-O 3.32Å; V123-I194 HydrophobicContact CG2-CB 4.34Å; V123-Y196 VanDerWaalsContact CG1-CB 3.43Å; V123-Y196 HydrophobicContact CG1-CD2 4.42Å; V123-Y196 HydrophobicContact CG1-CG 4.29Å
124	L	98.9	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	101.8	162.6	171.9	55	0	0	0	107.8	F152 Y154 I175 A178 W179 L182 I193 I194 L195 Y196 L208	L124-F152 CarbonylContact C-O 3.59Å; L124-F152 WeakPolarHBondContact CA-O 3.28Å; L124-F152 HydrophobicContact CD1-CD1 3.42Å; L124-F152 VanDerWaalsContact CD1-CD1 3.42Å; L124-F152 HydrophobicContact CD1-CE1 3.92Å; L124-F152 HydrophobicContact CD1-CG 4.44Å; L124-Y154 HydrophobicContact CD1-CD1 3.9Å; L124-Y154 HydrophobicContact CD1-CE1 3.95Å; L124-I175 HydrophobicContact CD2-CG1 4.3Å; L124-A178 HydrophobicContact CD1-CB 4.02Å; L124-W179 HydrophobicContact CD2-CB 4.3Å; L124-W179 HydrophobicContact CD2-CE3 4.15Å; L124-L182 HydrophobicContact CB-CD2 4.14Å; L124-I193 HydrophobicContact CB-CG2 4.05Å; L124-I194 PolarHBondContact N-O 2.92Å; L124-L195 HydrophobicContact CB-CD2 3.9Å; L124-L195 HydrophobicContact CD2-CD2 3.7Å; L124-L195 HydrophobicContact CG-CD2 4.08Å; L124-Y196 PolarHBondContact O-N 2.93Å; L124-L208 HydrophobicContact CD2-CD2 4.16Å
125	F	98.9	Very high	93	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.6	-173	-159.3	-72.9	0	0	0	111.4	V123 H127 M136 F139 Y140 L143 I151 F152 S153 Y196 Q198	V123-F125 HydrophobicContact CG1-CB 4.19Å; V123-F125 HydrophobicContact CG1-CD2 4.15Å; F125-H127 HydrophobicContact CD1-CB 4.46Å; F125-H127 HydrophobicContact CE1-CB 4.46Å; F125-M136 HydrophobicContact CE1-CE 4.16Å; F125-F139 AromaticContact CE2-CE1 3.83Å; F125-F139 HydrophobicContact CE2-CE1 3.83Å; F125-F139 AromaticContact CZ-CE1 3.77Å; F125-F139 HydrophobicContact CZ-CE1 3.77Å; F125-Y140 HydrophobicContact CB-CE1 4.14Å; F125-Y140 AromaticContact CD1-CE1 3.54Å; F125-Y140 HydrophobicContact CD1-CE1 3.54Å; F125-Y140 AromaticContact CD1-CZ 3.96Å; F125-Y140 HydrophobicContact CD2-CE1 4.12Å; F125-Y140 AromaticContact CE1-CE1 3.9Å; F125-Y140 HydrophobicContact CE1-CE1 3.9Å; F125-Y140 HydrophobicContact CE2-CE1 4.42Å; F125-Y140 HydrophobicContact CG-CD1 4.44Å; F125-Y140 AromaticContact CG-CE1 3.67Å; F125-Y140 HydrophobicContact CG-CE1 3.67Å; F125-Y140 HydrophobicContact CZ-CE1 4.33Å; F125-L143 HydrophobicContact CD2-CD2 4.27Å; F125-L143 HydrophobicContact CE2-CD2 3.95Å; F125-I151 HydrophobicContact CB-CG2 4.35Å; F125-F152 PolarHBondContact N-O 2.86Å; F125-S153 WeakPolarHBondContact O-CB 3.45Å; F125-S153 PolarHBondContact O-OG 3.33Å; F125-Y196 CarbonylContact C-O 3.6Å; F125-Y196 VanDerWaalsContact CA-O 3.32Å; F125-Y196 WeakPolarHBondContact CA-O 3.21Å; F125-Y196 AromaticContact CD2-CD1 3.59Å; F125-Y196 HydrophobicContact CD2-CD1 3.59Å; F125-Y196 HydrophobicContact CD2-CD2 4.25Å; F125-Y196 HydrophobicContact CD2-CE1 4.25Å; F125-Y196 AromaticContact CD2-CG 3.63Å; F125-Y196 HydrophobicContact CD2-CG 3.63Å; F125-Y196 HydrophobicContact CE1-CD1 4.29Å; F125-Y196 AromaticContact CE2-CD1 3.17Å; F125-Y196 HydrophobicContact CE2-CD1 3.17Å; F125-Y196 HydrophobicContact CE2-CD2 4.05Å; F125-Y196 AromaticContact CE2-CE1 3.38Å; F125-Y196 HydrophobicContact CE2-CE1 3.38Å; F125-Y196 HydrophobicContact CE2-CE2 4.2Å; F125-Y196 AromaticContact CE2-CG 3.59Å; F125-Y196 HydrophobicContact CE2-CG 3.59Å; F125-Y196 AromaticContact CE2-CZ 3.91Å; F125-Y196 HydrophobicContact CG-CD1 4.31Å; F125-Y196 HydrophobicContact CG-CG 4.5Å; F125-Y196 AromaticContact CZ-CD1 3.58Å; F125-Y196 HydrophobicContact CZ-CD1 3.58Å; F125-Y196 AromaticContact CZ-CE1 3.57Å; F125-Y196 HydrophobicContact CZ-CE1 3.57Å; F125-Y196 HydrophobicContact CZ-CG 4.42Å; F125-Q198 HydrophobicContact CE1-CB 4.2Å; F125-Q198 HydrophobicContact CZ-CB 4.18Å
126	S	98.9	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	110.4	168.3	-61.9	0	0	0	0	109.2	Y154 Y156 Y196 Q198 G201 T205	S126-Y154 PolarHBondContact OG-OH 2.81Å; S126-Y156 VanDerWaalsContact C-OH 3.27Å; S126-Y156 WeakPolarHBondContact CB-OH 3.33Å; S126-Y196 PolarHBondContact N-O 3.13Å; S126-Q198 PolarHBondContact O-N 3.1Å; S126-Q198 VanDerWaalsContact O-N 3.08Å; S126-G201 WeakPolarHBondContact CB-O 3.41Å; S126-T205 PolarHBondContact OG-OG1 3.41Å
127	H	98.5	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.183	C	C	.	.			trans	-71.7	166	-172.7	65.9	80.7	0	0	0	114.7	F125 V131 M136 Y140 Y154 D155 Y156 Y159 G201	F125-H127 HydrophobicContact CD1-CB 4.46Å; F125-H127 HydrophobicContact CE1-CB 4.46Å; H127-V131 HydrophobicContact CB-CG2 4.07Å; H127-V131 PolarHBondContact CE1-O 3.11Å; H127-V131 VanDerWaalsContact CE1-O 3.3Å; H127-V131 PolarHBondContact ND1-O 3.19Å; H127-M136 HydrophobicContact CB-CG 4.27Å; H127-Y140 WeakPolarHBondContact CB-OH 3.43Å; H127-Y154 PolarHBondContact CD2-O 2.97Å; H127-Y154 VanDerWaalsContact CD2-O 3.23Å; H127-Y154 PolarHBondContact NE2-O 2.9Å; H127-D155 IonicContact CD2-OD1 3.2Å; H127-D155 IonicContact CE1-OD1 3.06Å; H127-D155 IonicContact NE2-OD1 3.62Å; H127-D155 PolarHBondContact NE2-OD1 2.96Å; H127-D155 VanDerWaalsContact NE2-OD1 3.17Å; H127-Y156 AromaticContact CE1-CD2 3.63Å; H127-Y156 AromaticContact CE1-CE2 3.46Å; H127-Y156 VanDerWaalsContact CE1-CE2 3.46Å; H127-Y156 WeakPolarHBondContact CE1-CE2 3.14Å; H127-Y156 PolarHBondContact N-OH 3.18Å; H127-Y156 VanDerWaalsContact N-OH 3.13Å; H127-Y156 AromaticContact ND1-CE2 3.77Å; H127-Y156 AromaticContact NE2-CD2 3.88Å; H127-Y156 AromaticContact NE2-CE2 3.78Å; H127-Y156 AromaticContact NE2-CZ 4Å; H127-Y156 PolarHBondContact O-OH 2.95Å; H127-Y159 AromaticContact CE1-CD1 3.82Å; H127-G201 WeakPolarHBondContact O-CA 3.42Å; H127-G201 PolarHBondContact O-N 3.46Å
128	G	95.9	Very high	95.7	Very high	7 Å²	7	25.4 Å²	25.4	7%	0.072	14%	0.138	C	C	.	.			trans	-66.3	178.5	175.5	0	0	0	0	0	113.7	V131 Q198	G128-V131 WeakPolarHBondContact O-CG2 3.37Å; G128-Q198 WeakPolarHBondContact CA-O 3.5Å
129	N	93.3	Very high	96.4	Very high	43 Å²	43	21 Å²	21	23%	0.23	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	165.8	168.8	-167.2	19.3	0	0	0	109.9	A27 L29 V131 Y159 I200	A27-N129 PolarHBondContact O-ND2 3.44Å; L29-N129 PolarHBondContact N-OD1 2.99Å; N129-V131 PolarHBondContact O-N 3.33Å; N129-Y159 PolarHBondContact OD1-OH 2.85Å; N129-I200 HydrophobicContact CB-CG2 3.92Å
130	A	92.3	Very high	96.7	Very high	51 Å²	51	20 Å²	20	42%	0.421	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	16.7	172.2	0	0	0	0	0	116.8	L29	L29-A130 HydrophobicContact CB-CB 4.46Å; L29-A130 WeakPolarHBondContact O-CA 3.35Å; L29-A130 PolarHBondContact O-N 2.95Å
131	V	95.2	Very high	96.9	Very high	34 Å²	34	14.8 Å²	14.8	21%	0.206	8%	0.084	C	C	.	.			trans	-129	157.1	171.8	-61.8	0	0	0	0	109.8	H127 G128 N129 M136 Y159	H127-V131 HydrophobicContact CB-CG2 4.07Å; H127-V131 PolarHBondContact CE1-O 3.11Å; H127-V131 VanDerWaalsContact CE1-O 3.3Å; H127-V131 PolarHBondContact ND1-O 3.19Å; G128-V131 WeakPolarHBondContact O-CG2 3.37Å; N129-V131 PolarHBondContact O-N 3.33Å; V131-M136 HydrophobicContact CB-CG 4.13Å; V131-M136 HydrophobicContact CB-SD 4.14Å; V131-M136 HydrophobicContact CG1-SD 4.36Å; V131-M136 HydrophobicContact CG2-CG 3.92Å; V131-M136 HydrophobicContact CG2-SD 3.9Å; V131-Y159 WeakPolarHBondContact O-CD1 3.45Å
132	D	97.9	Very high	96.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.			trans	-124.4	174.2	170.1	73.7	4.5	0	0	0	111.2	P31 P33 T34 Y35 G134 Q135 M136 D155	P31-D132 HydrophobicContact CG-CB 4.07Å; P33-D132 WeakPolarHBondContact CA-OD2 3.4Å; T34-D132 PolarHBondContact N-OD2 3.36Å; T34-D132 PolarHBondContact OG1-OD1 3.12Å; T34-D132 PolarHBondContact OG1-OD2 2.81Å; Y35-D132 WeakPolarHBondContact CD1-OD2 3.12Å; Y35-D132 HydrophobicContact CE1-CB 4.04Å; D132-G134 PolarHBondContact O-N 2.71Å; D132-G134 PolarHBondContact OD1-N 2.89Å; D132-Q135 PolarHBondContact O-N 3.44Å; D132-Q135 PolarHBondContact OD1-N 3.41Å; D132-M136 WeakPolarHBondContact O-CG 3.36Å; D132-M136 PolarHBondContact O-N 3.35Å; D132-M136 VanDerWaalsContact O-N 3.12Å; D132-D155 WeakPolarHBondContact CA-OD1 3.31Å
133	L	98.2	Very high	96.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55.9	-32.6	179	-68	178.5	0	0	0	113.8	Y35 M111 M136 S137 Y140 S153 D155	Y35-L133 HydrophobicContact CE1-CB 3.82Å; M111-L133 HydrophobicContact CB-CD1 3.98Å; M111-L133 HydrophobicContact CB-CD2 4.3Å; M111-L133 HydrophobicContact CE-CB 3.9Å; M111-L133 WeakPolarHBondContact CE-O 3.49Å; L133-M136 PolarHBondContact O-N 3.3Å; L133-S137 PolarHBondContact O-N 2.85Å; L133-Y140 HydrophobicContact CD2-CE2 4.11Å; L133-S153 WeakPolarHBondContact CD2-OG 3.34Å; L133-D155 HydrophobicContact CD1-CB 4.4Å; L133-D155 HydrophobicContact CG-CB 4.33Å; L133-D155 PolarHBondContact N-OD1 3.2Å; L133-D155 VanDerWaalsContact N-OD1 3.11Å
134	G	97.4	Very high	96.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-51.3	-180	0	0	0	0	0	111.2	T34 Y35 D132 M136 S137	T34-G134 WeakPolarHBondContact OG1-CA 3.45Å; Y35-G134 VanDerWaalsContact CD1-N 3.26Å; D132-G134 PolarHBondContact O-N 2.71Å; D132-G134 PolarHBondContact OD1-N 2.89Å; G134-M136 VanDerWaalsContact C-N 3.28Å; G134-M136 PolarHBondContact O-N 2.92Å; G134-S137 WeakPolarHBondContact O-CB 3.4Å; G134-S137 PolarHBondContact O-N 3.49Å; G134-S137 PolarHBondContact O-OG 3.07Å
135	Q	96.4	Very high	96.3	Very high	70 Å²	70	17.9 Å²	17.9	33%	0.327	11%	0.107	S	C	.	.	H	α-helix	trans	-63.1	-35.3	176.9	-64.6	179.4	-72.4	0	0	112.2	T34 D132 S137	T34-Q135 HydrophobicContact CG2-CG 3.49Å; T34-Q135 VanDerWaalsContact CG2-CG 3.49Å; T34-Q135 PolarHBondContact OG1-N 3.27Å; D132-Q135 PolarHBondContact O-N 3.44Å; D132-Q135 PolarHBondContact OD1-N 3.41Å; Q135-S137 VanDerWaalsContact C-N 3.35Å
136	M	97.2	Very high	96.1	Very high	17 Å²	17	23.7 Å²	23.7	8%	0.084	13%	0.129	C	C	.	.	H	α-helix	trans	-80.7	-12.9	-177.6	-65	-61.1	-67.6	0	0	114.1	F125 H127 V131 D132 L133 G134 S138 F139 Y140	F125-M136 HydrophobicContact CE1-CE 4.16Å; H127-M136 HydrophobicContact CB-CG 4.27Å; V131-M136 HydrophobicContact CB-CG 4.13Å; V131-M136 HydrophobicContact CB-SD 4.14Å; V131-M136 HydrophobicContact CG1-SD 4.36Å; V131-M136 HydrophobicContact CG2-CG 3.92Å; V131-M136 HydrophobicContact CG2-SD 3.9Å; D132-M136 WeakPolarHBondContact O-CG 3.36Å; D132-M136 PolarHBondContact O-N 3.35Å; D132-M136 VanDerWaalsContact O-N 3.12Å; L133-M136 PolarHBondContact O-N 3.3Å; G134-M136 VanDerWaalsContact C-N 3.28Å; G134-M136 PolarHBondContact O-N 2.92Å; M136-S138 PolarHBondContact O-N 3.34Å; M136-F139 HydrophobicContact CE-CB 4.49Å; M136-F139 HydrophobicContact CE-CD1 3.54Å; M136-F139 HydrophobicContact CE-CE1 4.04Å; M136-F139 HydrophobicContact CE-CG 4.2Å; M136-F139 WeakPolarHBondContact O-CB 3.32Å; M136-F139 PolarHBondContact O-N 3.34Å; M136-F139 VanDerWaalsContact O-N 3.09Å; M136-Y140 HydrophobicContact CB-CD2 3.97Å; M136-Y140 HydrophobicContact CB-CE1 4.04Å; M136-Y140 HydrophobicContact CB-CE2 3.32Å; M136-Y140 WeakPolarHBondContact CB-OH 3.29Å; M136-Y140 HydrophobicContact CE-CE1 3.85Å; M136-Y140 HydrophobicContact CG-CE2 4.41Å; M136-Y140 WeakPolarHBondContact O-CD2 3.28Å; M136-Y140 VanDerWaalsContact O-CG 3.31Å; M136-Y140 PolarHBondContact O-N 3.06Å
137	S	96.6	Very high	95.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.3	-48.7	-173.9	61.4	0	0	0	0	113.7	F85 L133 G134 Q135 F139 Y140 I141	F85-S137 WeakPolarHBondContact CD2-OG 3.37Å; L133-S137 PolarHBondContact O-N 2.85Å; G134-S137 WeakPolarHBondContact O-CB 3.4Å; G134-S137 PolarHBondContact O-N 3.49Å; G134-S137 PolarHBondContact O-OG 3.07Å; Q135-S137 VanDerWaalsContact C-N 3.35Å; S137-F139 VanDerWaalsContact C-N 3.32Å; S137-F139 PolarHBondContact O-N 3.28Å; S137-Y140 PolarHBondContact O-N 3.42Å; S137-I141 WeakPolarHBondContact O-CG1 3.26Å; S137-I141 PolarHBondContact O-N 2.79Å; S137-I141 VanDerWaalsContact O-N 3.09Å
138	S	95.8	Very high	95.7	Very high	8 Å²	8	26.3 Å²	26.3	6%	0.056	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-43.2	176.1	-62.7	0	0	0	0	112.1	F85 Q86 Y87 M136 Y140 G142	F85-S138 WeakPolarHBondContact CA-OG 3.24Å; F85-S138 WeakPolarHBondContact CD2-OG 3.42Å; Q86-S138 PolarHBondContact N-OG 2.81Å; Y87-S138 VanDerWaalsContact CE2-O 3.22Å; Y87-S138 WeakPolarHBondContact CE2-O 3.28Å; M136-S138 PolarHBondContact O-N 3.34Å; S138-Y140 VanDerWaalsContact C-N 3.35Å; S138-G142 PolarHBondContact O-N 3.43Å
139	F	95.9	Very high	95.8	Very high	56 Å²	56	26 Å²	26	25%	0.246	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-43.9	178.2	171.8	-98.8	0	0	0	110.8	F125 M136 S137 G142 L143 E297	F125-F139 AromaticContact CE2-CE1 3.83Å; F125-F139 HydrophobicContact CE2-CE1 3.83Å; F125-F139 AromaticContact CZ-CE1 3.77Å; F125-F139 HydrophobicContact CZ-CE1 3.77Å; M136-F139 HydrophobicContact CE-CB 4.49Å; M136-F139 HydrophobicContact CE-CD1 3.54Å; M136-F139 HydrophobicContact CE-CE1 4.04Å; M136-F139 HydrophobicContact CE-CG 4.2Å; M136-F139 WeakPolarHBondContact O-CB 3.32Å; M136-F139 PolarHBondContact O-N 3.34Å; M136-F139 VanDerWaalsContact O-N 3.09Å; S137-F139 VanDerWaalsContact C-N 3.32Å; S137-F139 PolarHBondContact O-N 3.28Å; F139-G142 PolarHBondContact O-N 2.91Å; F139-L143 HydrophobicContact CE1-CB 4.37Å; F139-L143 HydrophobicContact CE1-CD2 3.77Å; F139-L143 HydrophobicContact CZ-CB 4.32Å; F139-L143 HydrophobicContact CZ-CD2 3.85Å; F139-L143 HydrophobicContact CZ-CG 4.48Å; F139-L143 VanDerWaalsContact O-CB 3.26Å; F139-L143 WeakPolarHBondContact O-CB 3.4Å; F139-L143 PolarHBondContact O-N 3.4Å; F139-E297 HydrophobicContact CE2-CB 4.46Å; F139-E297 HydrophobicContact CE2-CG 3.95Å; F139-E297 HydrophobicContact CZ-CG 4.34Å
140	Y	97.4	Very high	96	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-45.4	179.3	-63.9	-31.3	0	0	0	113.4	M111 I113 F125 H127 L133 M136 S137 S138 G142 L143 G144 I151 S153	M111-Y140 HydrophobicContact SD-CD2 3.95Å; M111-Y140 HydrophobicContact SD-CE2 4.44Å; I113-Y140 HydrophobicContact CD1-CD2 4.47Å; F125-Y140 HydrophobicContact CB-CE1 4.14Å; F125-Y140 AromaticContact CD1-CE1 3.54Å; F125-Y140 HydrophobicContact CD1-CE1 3.54Å; F125-Y140 AromaticContact CD1-CZ 3.96Å; F125-Y140 HydrophobicContact CD2-CE1 4.12Å; F125-Y140 AromaticContact CE1-CE1 3.9Å; F125-Y140 HydrophobicContact CE1-CE1 3.9Å; F125-Y140 HydrophobicContact CE2-CE1 4.42Å; F125-Y140 HydrophobicContact CG-CD1 4.44Å; F125-Y140 AromaticContact CG-CE1 3.67Å; F125-Y140 HydrophobicContact CG-CE1 3.67Å; F125-Y140 HydrophobicContact CZ-CE1 4.33Å; H127-Y140 WeakPolarHBondContact CB-OH 3.43Å; L133-Y140 HydrophobicContact CD2-CE2 4.11Å; M136-Y140 HydrophobicContact CB-CD2 3.97Å; M136-Y140 HydrophobicContact CB-CE1 4.04Å; M136-Y140 HydrophobicContact CB-CE2 3.32Å; M136-Y140 WeakPolarHBondContact CB-OH 3.29Å; M136-Y140 HydrophobicContact CE-CE1 3.85Å; M136-Y140 HydrophobicContact CG-CE2 4.41Å; M136-Y140 WeakPolarHBondContact O-CD2 3.28Å; M136-Y140 VanDerWaalsContact O-CG 3.31Å; M136-Y140 PolarHBondContact O-N 3.06Å; S137-Y140 PolarHBondContact O-N 3.42Å; S138-Y140 VanDerWaalsContact C-N 3.35Å; Y140-G142 VanDerWaalsContact C-N 3.29Å; Y140-G142 PolarHBondContact O-N 3.09Å; Y140-L143 PolarHBondContact O-N 2.97Å; Y140-G144 PolarHBondContact O-N 2.76Å; Y140-I151 HydrophobicContact CD1-CG2 3.78Å; Y140-I151 HydrophobicContact CD2-CG2 4.39Å; Y140-I151 HydrophobicContact CE1-CG2 4.47Å; Y140-I151 HydrophobicContact CG-CG2 3.75Å; Y140-I151 WeakPolarHBondContact O-CG1 3.34Å; Y140-S153 PolarHBondContact OH-OG 3.13Å; Y140-S153 VanDerWaalsContact OH-OG 3.1Å
141	I	95.5	Very high	96.2	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.051	12%	0.12	C	C	.	.	H	α-helix	trans	-57.7	-47.8	175	-65.3	169	0	0	0	109.7	F85 Y87 D91 V95 I113 S137 S145	F85-I141 HydrophobicContact CE2-CD1 3.75Å; F85-I141 HydrophobicContact CZ-CD1 3.79Å; Y87-I141 HydrophobicContact CD1-CG2 3.96Å; Y87-I141 HydrophobicContact CD2-CB 4.35Å; Y87-I141 HydrophobicContact CD2-CD1 4.17Å; Y87-I141 HydrophobicContact CD2-CG2 4.33Å; Y87-I141 HydrophobicContact CE1-CG2 3.73Å; Y87-I141 HydrophobicContact CE2-CB 4.08Å; Y87-I141 HydrophobicContact CE2-CG2 4.13Å; Y87-I141 HydrophobicContact CG-CD1 4.34Å; Y87-I141 HydrophobicContact CG-CG2 4.26Å; D91-I141 HydrophobicContact CB-CD1 4.29Å; V95-I141 HydrophobicContact CG2-CD1 4.43Å; I113-I141 HydrophobicContact CD1-CG1 3.88Å; I113-I141 HydrophobicContact CG2-CG1 4.03Å; S137-I141 WeakPolarHBondContact O-CG1 3.26Å; S137-I141 PolarHBondContact O-N 2.79Å; S137-I141 VanDerWaalsContact O-N 3.09Å; I141-S145 WeakPolarHBondContact O-CB 3.39Å; I141-S145 PolarHBondContact O-N 3.01Å; I141-S145 VanDerWaalsContact O-N 3.09Å; I141-S145 PolarHBondContact O-OG 2.84Å
142	G	95.1	Very high	96.4	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-41.6	-178.9	0	0	0	0	0	113.8	Y87 S138 F139 Y140 R146	Y87-G142 WeakPolarHBondContact OH-CA 3.41Å; Y87-G142 PolarHBondContact OH-N 2.87Å; S138-G142 PolarHBondContact O-N 3.43Å; F139-G142 PolarHBondContact O-N 2.91Å; Y140-G142 VanDerWaalsContact C-N 3.29Å; Y140-G142 PolarHBondContact O-N 3.09Å; G142-R146 WeakPolarHBondContact O-CB 3.5Å; G142-R146 WeakPolarHBondContact O-CD 3.11Å; G142-R146 WeakPolarHBondContact O-CG 3.4Å; G142-R146 PolarHBondContact O-N 2.72Å; G142-R146 PolarHBondContact O-NH1 3.02Å
143	L	96	Very high	96.5	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-67.2	-54.7	178.8	177.9	63.5	0	0	0	109.8	F125 F139 Y140 S145 R146 I147 I151 Y302 L303 L306	F125-L143 HydrophobicContact CD2-CD2 4.27Å; F125-L143 HydrophobicContact CE2-CD2 3.95Å; F139-L143 HydrophobicContact CE1-CB 4.37Å; F139-L143 HydrophobicContact CE1-CD2 3.77Å; F139-L143 HydrophobicContact CZ-CB 4.32Å; F139-L143 HydrophobicContact CZ-CD2 3.85Å; F139-L143 HydrophobicContact CZ-CG 4.48Å; F139-L143 VanDerWaalsContact O-CB 3.26Å; F139-L143 WeakPolarHBondContact O-CB 3.4Å; F139-L143 PolarHBondContact O-N 3.4Å; Y140-L143 PolarHBondContact O-N 2.97Å; L143-S145 PolarHBondContact O-N 3.07Å; L143-R146 PolarHBondContact O-N 3.07Å; L143-I147 HydrophobicContact CD1-CD1 4.08Å; L143-I147 HydrophobicContact CD1-CG2 4.06Å; L143-I147 HydrophobicContact CG-CD1 3.93Å; L143-I147 WeakPolarHBondContact O-CG1 3.36Å; L143-I147 PolarHBondContact O-N 3.5Å; L143-I151 HydrophobicContact CD2-CD1 4.47Å; L143-Y302 HydrophobicContact CD1-CE1 4.29Å; L143-L303 HydrophobicContact CD1-CD2 4.41Å; L143-L306 HydrophobicContact CD1-CD1 3.99Å
144	G	95.7	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-55.2	-40.6	-178.5	0	0	0	0	0	112.6	Y140 R146 G148 C149	Y140-G144 PolarHBondContact O-N 2.76Å; G144-R146 PolarHBondContact O-N 2.77Å; G144-G148 WeakPolarHBondContact O-CA 3.18Å; G144-G148 PolarHBondContact O-N 2.92Å; G144-C149 CarbonylContact C-O 3.57Å; G144-C149 WeakPolarHBondContact CA-O 3.42Å; G144-C149 PolarHBondContact O-N 3.48Å
145	S	94.1	Very high	96.5	Very high	73 Å²	73	20.6 Å²	20.6	51%	0.51	11%	0.111	S	C	.	.	H	α-helix	trans	-64.1	-41.5	177.6	-62.2	0	0	0	0	111.8	V115 I141 L143	V115-S145 VanDerWaalsContact CG1-CA 3.43Å; V115-S145 WeakPolarHBondContact CG1-OG 3.36Å; I141-S145 WeakPolarHBondContact O-CB 3.39Å; I141-S145 PolarHBondContact O-N 3.01Å; I141-S145 VanDerWaalsContact O-N 3.09Å; I141-S145 PolarHBondContact O-OG 2.84Å; L143-S145 PolarHBondContact O-N 3.07Å
146	R	94.5	Very high	96.6	Very high	123 Å²	123	17.3 Å²	17.3	46%	0.464	10%	0.096	S	C	.	.	H	α-helix	trans	-78.5	-25.5	-174.4	-71.8	174.1	179.9	101.9	-6.9	113.2	G142 L143 G144 L303 R307	G142-R146 WeakPolarHBondContact O-CB 3.5Å; G142-R146 WeakPolarHBondContact O-CD 3.11Å; G142-R146 WeakPolarHBondContact O-CG 3.4Å; G142-R146 PolarHBondContact O-N 2.72Å; G142-R146 PolarHBondContact O-NH1 3.02Å; L143-R146 PolarHBondContact O-N 3.07Å; G144-R146 PolarHBondContact O-N 2.77Å; R146-L303 HydrophobicContact CB-CD2 4.11Å; R146-R307 PolarHBondContact O-NE 2.85Å; R146-R307 PolarHBondContact O-NH2 2.78Å
147	I	95	Very high	96.7	Very high	17 Å²	17	16.6 Å²	16.6	9%	0.087	9%	0.092	C	C	.	.	H	α-helix	trans	-106.8	-1.8	178.5	73.1	-177.4	0	0	0	113.4	V123 L143 C149 L306 I310	V123-I147 HydrophobicContact CG2-CD1 4.18Å; L143-I147 HydrophobicContact CD1-CD1 4.08Å; L143-I147 HydrophobicContact CD1-CG2 4.06Å; L143-I147 HydrophobicContact CG-CD1 3.93Å; L143-I147 WeakPolarHBondContact O-CG1 3.36Å; L143-I147 PolarHBondContact O-N 3.5Å; I147-C149 HydrophobicContact CD1-CB 4.07Å; I147-C149 HydrophobicContact CG1-CB 3.86Å; I147-L306 HydrophobicContact CG2-CB 4.07Å; I147-L306 HydrophobicContact CG2-CD1 4.47Å; I147-I310 HydrophobicContact CB-CD1 4.2Å; I147-I310 HydrophobicContact CD1-CD1 3.83Å; I147-I310 HydrophobicContact CG1-CD1 4.34Å
148	G	94.8	Very high	96.7	Very high	37 Å²	37	17.8 Å²	17.8	38%	0.381	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	34.7	178.5	0	0	0	0	0	114.1	G144	G144-G148 WeakPolarHBondContact O-CA 3.18Å; G144-G148 PolarHBondContact O-N 2.92Å
149	C	96.8	Very high	96.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.007	10%	0.102	C	C	.	.			trans	-123.3	148	-179.1	-64	0	0	0	0	111.3	V123 G144 I147	V123-C149 HydrophobicContact CG2-CB 3.94Å; G144-C149 CarbonylContact C-O 3.57Å; G144-C149 WeakPolarHBondContact CA-O 3.42Å; G144-C149 PolarHBondContact O-N 3.48Å; I147-C149 HydrophobicContact CD1-CB 4.07Å; I147-C149 HydrophobicContact CG1-CB 3.86Å
150	N	97.7	Very high	96.9	Very high	12 Å²	12	15.6 Å²	15.6	6%	0.064	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	151.5	163.5	-57.9	-44.5	0	0	0	109.3	Y112 I113 R114 V115 F121 T122 V123	Y112-N150 HydrophobicContact CE2-CB 3.79Å; Y112-N150 PolarHBondContact OH-ND2 2.69Å; I113-N150 WeakPolarHBondContact O-CA 3.26Å; I113-N150 WeakPolarHBondContact O-CB 3.26Å; R114-N150 WeakPolarHBondContact CA-OD1 3.48Å; V115-N150 PolarHBondContact N-OD1 3.08Å; F121-N150 PolarHBondContact O-N 2.78Å; T122-N150 CarbonylContact C-O 3.51Å; T122-N150 WeakPolarHBondContact CA-O 3.38Å; T122-N150 HydrophobicContact CG2-CB 4.03Å; V123-N150 PolarHBondContact N-O 2.78Å
151	I	98.3	Very high	96.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.6	177.5	-53.1	-60	0	0	0	109.3	Y112 I113 V123 F125 Y140 L143	Y112-I151 CarbonylContact C-O 3.29Å; Y112-I151 WeakPolarHBondContact CA-O 3.42Å; Y112-I151 WeakPolarHBondContact CD2-O 3.15Å; I113-I151 PolarHBondContact N-O 2.95Å; I113-I151 PolarHBondContact O-N 3.43Å; V123-I151 HydrophobicContact CB-CD1 3.76Å; V123-I151 HydrophobicContact CG1-CD1 4.48Å; V123-I151 HydrophobicContact CG2-CD1 3.95Å; F125-I151 HydrophobicContact CB-CG2 4.35Å; Y140-I151 HydrophobicContact CD1-CG2 3.78Å; Y140-I151 HydrophobicContact CD2-CG2 4.39Å; Y140-I151 HydrophobicContact CE1-CG2 4.47Å; Y140-I151 HydrophobicContact CG-CG2 3.75Å; Y140-I151 WeakPolarHBondContact O-CG1 3.34Å; L143-I151 HydrophobicContact CD2-CD1 4.47Å
152	F	98.7	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.9	167	-175.7	-75.8	0	0	0	108.3	F98 C110 M111 Y112 T122 V123 L124 F125 A178 A181 L182 Y186	F98-F152 AromaticContact CE1-CE2 3.84Å; F98-F152 HydrophobicContact CE1-CE2 3.84Å; F98-F152 HydrophobicContact CE1-CZ 4.36Å; F98-F152 AromaticContact CZ-CE2 3.65Å; F98-F152 HydrophobicContact CZ-CE2 3.65Å; F98-F152 AromaticContact CZ-CZ 3.89Å; F98-F152 HydrophobicContact CZ-CZ 3.89Å; C110-F152 HydrophobicContact CB-CE1 4.36Å; C110-F152 HydrophobicContact CB-CE2 4.35Å; C110-F152 HydrophobicContact CB-CZ 3.77Å; M111-F152 CarbonylContact O-C 3.5Å; M111-F152 WeakPolarHBondContact O-CA 3.37Å; Y112-F152 HydrophobicContact CD2-CB 3.84Å; Y112-F152 AromaticContact CD2-CD2 3.92Å; Y112-F152 HydrophobicContact CD2-CD2 3.92Å; Y112-F152 HydrophobicContact CD2-CG 4.38Å; Y112-F152 HydrophobicContact CE2-CB 4.4Å; Y112-F152 HydrophobicContact CG-CD2 4.16Å; T122-F152 HydrophobicContact CG2-CB 4.15Å; V123-F152 PolarHBondContact O-N 3.49Å; V123-F152 VanDerWaalsContact O-O 3.07Å; L124-F152 CarbonylContact C-O 3.59Å; L124-F152 WeakPolarHBondContact CA-O 3.28Å; L124-F152 HydrophobicContact CD1-CD1 3.42Å; L124-F152 VanDerWaalsContact CD1-CD1 3.42Å; L124-F152 HydrophobicContact CD1-CE1 3.92Å; L124-F152 HydrophobicContact CD1-CG 4.44Å; F125-F152 PolarHBondContact N-O 2.86Å; F152-A178 HydrophobicContact CE1-CB 3.78Å; F152-A178 HydrophobicContact CZ-CB 4.48Å; F152-A181 HydrophobicContact CZ-CB 4.36Å; F152-L182 HydrophobicContact CB-CD1 3.81Å; F152-L182 HydrophobicContact CB-CD2 4.47Å; F152-L182 HydrophobicContact CD2-CD1 3.56Å; F152-L182 HydrophobicContact CE2-CD1 4.26Å; F152-L182 HydrophobicContact CG-CD1 3.76Å; F152-Y186 HydrophobicContact CD2-CD2 4.46Å; F152-Y186 HydrophobicContact CD2-CE2 4.06Å; F152-Y186 HydrophobicContact CE2-CD2 4.45Å; F152-Y186 AromaticContact CE2-CE2 3.9Å; F152-Y186 HydrophobicContact CE2-CE2 3.9Å
153	S	98.8	Very high	97.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	167.7	172.8	-165.7	0	0	0	0	111.2	C110 M111 F125 L133 Y140	C110-S153 WeakPolarHBondContact CA-O 3.36Å; M111-S153 PolarHBondContact N-O 3.44Å; M111-S153 PolarHBondContact O-N 2.72Å; F125-S153 WeakPolarHBondContact O-CB 3.45Å; F125-S153 PolarHBondContact O-OG 3.33Å; L133-S153 WeakPolarHBondContact CD2-OG 3.34Å; Y140-S153 PolarHBondContact OH-OG 3.13Å; Y140-S153 VanDerWaalsContact OH-OG 3.1Å
154	Y	98.8	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.5	-177.8	65.8	-76.3	0	0	0	109.6	V108 G109 L124 S126 H127 Y156 D174 I175 A178	V108-Y154 HydrophobicContact CG1-CD2 4.09Å; G109-Y154 VanDerWaalsContact O-CA 3.23Å; G109-Y154 WeakPolarHBondContact O-CA 3.46Å; L124-Y154 HydrophobicContact CD1-CD1 3.9Å; L124-Y154 HydrophobicContact CD1-CE1 3.95Å; S126-Y154 PolarHBondContact OG-OH 2.81Å; H127-Y154 PolarHBondContact CD2-O 2.97Å; H127-Y154 VanDerWaalsContact CD2-O 3.23Å; H127-Y154 PolarHBondContact NE2-O 2.9Å; Y154-Y156 HydrophobicContact CD2-CD1 4.38Å; Y154-Y156 AromaticContact CE2-CD1 3.73Å; Y154-Y156 HydrophobicContact CE2-CD1 3.73Å; Y154-Y156 AromaticContact CE2-CE1 3.8Å; Y154-Y156 HydrophobicContact CE2-CE1 3.8Å; Y154-Y156 AromaticContact CZ-CE1 3.92Å; Y154-D174 HydrophobicContact CD2-CB 4.25Å; Y154-D174 HydrophobicContact CE2-CB 4Å; Y154-I175 HydrophobicContact CE1-CB 4.46Å; Y154-I175 HydrophobicContact CE1-CG1 4.02Å; Y154-I175 HydrophobicContact CE2-CB 4.31Å; Y154-I175 VanDerWaalsContact OH-CB 3.23Å; Y154-I175 WeakPolarHBondContact OH-CB 3.42Å; Y154-I175 VanDerWaalsContact OH-CG1 3.32Å; Y154-I175 WeakPolarHBondContact OH-CG1 3.32Å; Y154-A178 HydrophobicContact CD1-CB 3.48Å; Y154-A178 VanDerWaalsContact CD1-CB 3.48Å; Y154-A178 HydrophobicContact CD2-CB 4.23Å; Y154-A178 HydrophobicContact CE1-CB 3.96Å; Y154-A178 HydrophobicContact CG-CB 3.67Å
155	D	98.6	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-86.4	140.8	172.3	-93.5	-21.3	0	0	0	110.8	Y35 V108 G109 H127 D132 L133 G160 S162	Y35-D155 VanDerWaalsContact CE1-OD2 3.28Å; Y35-D155 WeakPolarHBondContact CE1-OD2 3.13Å; Y35-D155 VanDerWaalsContact CZ-OD2 3.27Å; Y35-D155 PolarHBondContact OH-OD2 3.42Å; V108-D155 WeakPolarHBondContact CG1-O 3.47Å; G109-D155 PolarHBondContact O-N 2.86Å; H127-D155 IonicContact CD2-OD1 3.2Å; H127-D155 IonicContact CE1-OD1 3.06Å; H127-D155 IonicContact NE2-OD1 3.62Å; H127-D155 PolarHBondContact NE2-OD1 2.96Å; H127-D155 VanDerWaalsContact NE2-OD1 3.17Å; D132-D155 WeakPolarHBondContact CA-OD1 3.31Å; L133-D155 HydrophobicContact CD1-CB 4.4Å; L133-D155 HydrophobicContact CG-CB 4.33Å; L133-D155 PolarHBondContact N-OD1 3.2Å; L133-D155 VanDerWaalsContact N-OD1 3.11Å; D155-G160 WeakPolarHBondContact OD2-CA 3.36Å; D155-S162 WeakPolarHBondContact CB-OG 3.35Å; D155-S162 PolarHBondContact O-OG 2.87Å
156	Y	98.3	Very high	97.2	Very high	2 Å²	2	27 Å²	27	1%	0.008	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-64.4	154	173	-47.6	-42.1	0	0	0	112	S126 H127 Y154 G158 Y159 S162 L171 I200 G201 P204	S126-Y156 VanDerWaalsContact C-OH 3.27Å; S126-Y156 WeakPolarHBondContact CB-OH 3.33Å; H127-Y156 AromaticContact CE1-CD2 3.63Å; H127-Y156 AromaticContact CE1-CE2 3.46Å; H127-Y156 VanDerWaalsContact CE1-CE2 3.46Å; H127-Y156 WeakPolarHBondContact CE1-CE2 3.14Å; H127-Y156 PolarHBondContact N-OH 3.18Å; H127-Y156 VanDerWaalsContact N-OH 3.13Å; H127-Y156 AromaticContact ND1-CE2 3.77Å; H127-Y156 AromaticContact NE2-CD2 3.88Å; H127-Y156 AromaticContact NE2-CE2 3.78Å; H127-Y156 AromaticContact NE2-CZ 4Å; H127-Y156 PolarHBondContact O-OH 2.95Å; Y154-Y156 HydrophobicContact CD2-CD1 4.38Å; Y154-Y156 AromaticContact CE2-CD1 3.73Å; Y154-Y156 HydrophobicContact CE2-CD1 3.73Å; Y154-Y156 AromaticContact CE2-CE1 3.8Å; Y154-Y156 HydrophobicContact CE2-CE1 3.8Å; Y154-Y156 AromaticContact CZ-CE1 3.92Å; Y156-G158 PolarHBondContact O-N 3.49Å; Y156-G158 VanDerWaalsContact O-N 3.11Å; Y156-Y159 HydrophobicContact CD2-CD1 4.5Å; Y156-Y159 HydrophobicContact CD2-CD2 4.32Å; Y156-Y159 HydrophobicContact CD2-CE1 4.41Å; Y156-Y159 HydrophobicContact CD2-CE2 4.24Å; Y156-Y159 HydrophobicContact CD2-CG 4.47Å; Y156-Y159 WeakPolarHBondContact O-CB 3.32Å; Y156-Y159 PolarHBondContact O-N 2.96Å; Y156-S162 WeakPolarHBondContact O-CB 3.32Å; Y156-L171 HydrophobicContact CD1-CD1 3.15Å; Y156-L171 HydrophobicContact CD2-CD1 3.87Å; Y156-L171 HydrophobicContact CE1-CD1 3.4Å; Y156-L171 HydrophobicContact CE2-CD1 4.09Å; Y156-L171 HydrophobicContact CG-CD1 3.39Å; Y156-I200 HydrophobicContact CE2-CG2 4.31Å; Y156-G201 WeakPolarHBondContact OH-CA 3.43Å; Y156-P204 HydrophobicContact CE1-CG 4.41Å
157	S	98.3	Very high	97.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	121.7	173.8	-69.1	0	0	0	0	111.1	N106 T163 K165 P166 D174	N106-S157 PolarHBondContact ND2-OG 3.19Å; S157-T163 WeakPolarHBondContact CA-O 3.37Å; S157-T163 WeakPolarHBondContact CB-O 3.38Å; S157-K165 CarbonylContact O-C 3.51Å; S157-P166 WeakPolarHBondContact O-CA 3.28Å; S157-P166 WeakPolarHBondContact O-CB 3.41Å; S157-D174 WeakPolarHBondContact CB-OD2 3.46Å; S157-D174 PolarHBondContact N-OD2 3.28Å; S157-D174 PolarHBondContact OG-OD1 2.97Å; S157-D174 PolarHBondContact OG-OD2 2.72Å
158	G	97.2	Very high	97.1	Very high	26 Å²	26	24.5 Å²	24.5	27%	0.268	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	5.6	-175.8	0	0	0	0	0	115.6	P30 Y156 S162 T163	P30-G158 WeakPolarHBondContact CB-O 3.43Å; Y156-G158 PolarHBondContact O-N 3.49Å; Y156-G158 VanDerWaalsContact O-N 3.11Å; G158-S162 WeakPolarHBondContact CA-O 3.23Å; G158-S162 PolarHBondContact N-O 3.4Å; G158-S162 VanDerWaalsContact N-O 3.12Å; G158-T163 PolarHBondContact N-O 3.38Å
159	Y	98.1	Very high	97.1	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.171	C	C	.	.	S	Bend	trans	-105.5	148.7	169.6	-75.4	-118.3	0	0	0	110.1	F28 L29 P30 H127 N129 V131 Y156 V161 S162 P166	F28-Y159 WeakPolarHBondContact CA-OH 3.35Å; F28-Y159 HydrophobicContact CB-CE2 4.24Å; F28-Y159 WeakPolarHBondContact CB-OH 3.42Å; F28-Y159 HydrophobicContact CD1-CE2 4.2Å; L29-Y159 PolarHBondContact N-OH 2.85Å; P30-Y159 HydrophobicContact CB-CD1 3.89Å; P30-Y159 HydrophobicContact CB-CD2 3.77Å; P30-Y159 HydrophobicContact CB-CE1 3.95Å; P30-Y159 HydrophobicContact CB-CE2 3.81Å; P30-Y159 HydrophobicContact CB-CG 3.78Å; P30-Y159 HydrophobicContact CG-CD2 4.48Å; P30-Y159 HydrophobicContact CG-CE2 4.25Å; H127-Y159 AromaticContact CE1-CD1 3.82Å; N129-Y159 PolarHBondContact OD1-OH 2.85Å; V131-Y159 WeakPolarHBondContact O-CD1 3.45Å; Y156-Y159 HydrophobicContact CD2-CD1 4.5Å; Y156-Y159 HydrophobicContact CD2-CD2 4.32Å; Y156-Y159 HydrophobicContact CD2-CE1 4.41Å; Y156-Y159 HydrophobicContact CD2-CE2 4.24Å; Y156-Y159 HydrophobicContact CD2-CG 4.47Å; Y156-Y159 WeakPolarHBondContact O-CB 3.32Å; Y156-Y159 PolarHBondContact O-N 2.96Å; Y159-V161 PolarHBondContact O-N 3.42Å; Y159-S162 WeakPolarHBondContact O-CA 3.48Å; Y159-S162 VanDerWaalsContact O-CB 3.23Å; Y159-S162 WeakPolarHBondContact O-CB 3.3Å; Y159-S162 PolarHBondContact O-N 3.47Å; Y159-P166 HydrophobicContact CD2-CB 4.25Å; Y159-P166 HydrophobicContact CE2-CB 3.72Å; Y159-P166 HydrophobicContact CE2-CG 4.47Å
160	G	97.4	Very high	97.2	Very high	17 Å²	17	30.3 Å²	30.3	18%	0.175	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	-122	177.4	0	0	0	0	0	112.9	D155	D155-G160 WeakPolarHBondContact OD2-CA 3.36Å
161	V	97.7	Very high	97.1	Very high	35 Å²	35	29.9 Å²	29.9	21%	0.212	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.6	177.6	-58.2	0	0	0	0	114.1	Y35 F37 F99 Y159	Y35-V161 HydrophobicContact CD2-CG1 4.24Å; Y35-V161 HydrophobicContact CE2-CB 4.36Å; Y35-V161 HydrophobicContact CE2-CG1 3.75Å; Y35-V161 HydrophobicContact CE2-CG2 3.76Å; Y35-V161 WeakPolarHBondContact OH-CG2 3.47Å; F37-V161 HydrophobicContact CD1-CG2 4.49Å; F37-V161 HydrophobicContact CD2-CG2 3.99Å; F37-V161 HydrophobicContact CE1-CG2 4.43Å; F37-V161 HydrophobicContact CE2-CG2 3.9Å; F37-V161 HydrophobicContact CG-CG2 4.25Å; F37-V161 HydrophobicContact CZ-CG2 4.1Å; F99-V161 HydrophobicContact CE1-CB 4.08Å; F99-V161 HydrophobicContact CE1-CG2 3.5Å; F99-V161 HydrophobicContact CZ-CB 4.23Å; F99-V161 HydrophobicContact CZ-CG2 3.92Å; Y159-V161 PolarHBondContact O-N 3.42Å
162	S	98.4	Very high	97.2	Very high	7 Å²	7	31.4 Å²	31.4	5%	0.049	18%	0.178	C	C	.	.			trans	-72.9	128.3	-179.4	-69.5	0	0	0	0	111.4	R107 V108 G109 D155 Y156 G158 Y159	R107-S162 CarbonylContact O-C 3.6Å; R107-S162 WeakPolarHBondContact O-CA 3.23Å; V108-S162 WeakPolarHBondContact CA-OG 3.44Å; G109-S162 PolarHBondContact N-OG 2.95Å; D155-S162 WeakPolarHBondContact CB-OG 3.35Å; D155-S162 PolarHBondContact O-OG 2.87Å; Y156-S162 WeakPolarHBondContact O-CB 3.32Å; G158-S162 WeakPolarHBondContact CA-O 3.23Å; G158-S162 PolarHBondContact N-O 3.4Å; G158-S162 VanDerWaalsContact N-O 3.12Å; Y159-S162 WeakPolarHBondContact O-CA 3.48Å; Y159-S162 VanDerWaalsContact O-CB 3.23Å; Y159-S162 WeakPolarHBondContact O-CB 3.3Å; Y159-S162 PolarHBondContact O-N 3.47Å
163	T	98.4	Very high	97.2	Very high	52 Å²	52	31.6 Å²	31.6	32%	0.319	18%	0.179	S	C	.	.			trans	-75.7	169.9	177.8	60.5	0	0	0	0	112.1	R107 S157 G158	R107-T163 HydrophobicContact CB-CG2 4.05Å; R107-T163 WeakPolarHBondContact CB-OG1 3.2Å; R107-T163 PolarHBondContact N-OG1 2.99Å; R107-T163 PolarHBondContact O-N 3.35Å; R107-T163 PolarHBondContact O-OG1 3.2Å; S157-T163 WeakPolarHBondContact CA-O 3.37Å; S157-T163 WeakPolarHBondContact CB-O 3.38Å; G158-T163 PolarHBondContact N-O 3.38Å
164	G	96.4	Very high	97.2	Very high	45 Å²	45	31.6 Å²	31.6	46%	0.464	18%	0.179	S	C	.	.	S	Bend	trans	97.6	-148.9	173.4	0	0	0	0	0	112.6
165	K	95.4	Very high	97.2	Very high	155 Å²	155	31.6 Å²	31.6	67%	0.674	18%	0.179	S	C	*	.			trans	-136.4	145.6	-178.1	-69.4	-177.4	180	178	0	110.7	S157 T167 N170	S157-K165 CarbonylContact O-C 3.51Å; K165-T167 HydrophobicContact CB-CG2 4.35Å; K165-T167 PolarHBondContact O-N 3.14Å; K165-N170 PolarHBondContact O-ND2 3.46Å
166	P	93.1	Very high	97.2	Very high	33 Å²	33	34 Å²	34	21%	0.214	19%	0.192	C	C	.	.			trans	-79	102.8	-179.2	33.8	-36.3	0	0	0	109.1	F28 S157 Y159	F28-P166 HydrophobicContact CB-CB 3.58Å; F28-P166 HydrophobicContact CB-CG 3.82Å; F28-P166 HydrophobicContact CD1-CB 4.12Å; F28-P166 HydrophobicContact CD2-CB 3.84Å; F28-P166 HydrophobicContact CD2-CG 4.47Å; F28-P166 WeakPolarHBondContact CD2-O 3.38Å; F28-P166 HydrophobicContact CG-CB 3.61Å; F28-P166 HydrophobicContact CG-CG 4.31Å; S157-P166 WeakPolarHBondContact O-CA 3.28Å; S157-P166 WeakPolarHBondContact O-CB 3.41Å; Y159-P166 HydrophobicContact CD2-CB 4.25Å; Y159-P166 HydrophobicContact CE2-CB 3.72Å; Y159-P166 HydrophobicContact CE2-CG 4.47Å
167	T	93.8	Very high	97.2	Very high	44 Å²	44	34.2 Å²	34.2	27%	0.27	19%	0.194	S	C	.	.			trans	-138.9	151.2	179.3	64.9	0	0	0	0	108.3	K165 K169 N170 L171	K165-T167 HydrophobicContact CB-CG2 4.35Å; K165-T167 PolarHBondContact O-N 3.14Å; T167-K169 PolarHBondContact O-N 3.21Å; T167-N170 PolarHBondContact O-N 2.95Å; T167-N170 PolarHBondContact OG1-N 3.3Å; T167-N170 PolarHBondContact OG1-ND2 3.48Å; T167-L171 PolarHBondContact O-N 3.49Å
168	E	93.8	Very high	97.2	Very high	45 Å²	45	34.1 Å²	34.1	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-51.2	-42.5	178.1	-176.4	171	-162.3	0	0	113.3	N170 L171 Y172 F243	E168-N170 VanDerWaalsContact C-N 3.33Å; E168-N170 PolarHBondContact O-N 3.4Å; E168-L171 WeakPolarHBondContact O-CB 3.49Å; E168-L171 PolarHBondContact O-N 2.9Å; E168-Y172 HydrophobicContact CG-CD2 4.18Å; E168-Y172 HydrophobicContact CG-CE2 3.47Å; E168-Y172 VanDerWaalsContact CG-CE2 3.47Å; E168-Y172 WeakPolarHBondContact O-CD2 3.16Å; E168-Y172 PolarHBondContact O-N 2.87Å; E168-Y172 VanDerWaalsContact O-N 3.09Å; E168-Y172 PolarHBondContact OE1-OH 3.45Å; E168-F243 HydrophobicContact CB-CD1 4.04Å; E168-F243 HydrophobicContact CB-CE1 3.58Å; E168-F243 HydrophobicContact CG-CD1 3.65Å; E168-F243 HydrophobicContact CG-CE1 3.73Å; E168-F243 VanDerWaalsContact OE1-CA 3.29Å; E168-F243 WeakPolarHBondContact OE1-CA 3.41Å; E168-F243 PolarHBondContact OE1-N 3.13Å
169	K	95.8	Very high	97.3	Very high	147 Å²	147	33.3 Å²	33.3	64%	0.639	18%	0.183	S	C	*	.	H	α-helix	trans	-65	-36.1	178.2	-68.2	-178	179.2	-178.9	0	113	R104 T167 A173	R104-K169 VanDerWaalsContact CD-O 3.26Å; R104-K169 WeakPolarHBondContact CD-O 3.46Å; T167-K169 PolarHBondContact O-N 3.21Å; K169-A173 PolarHBondContact O-N 2.89Å
170	N	97.6	Very high	97.3	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-73.7	-41.7	175	-72.6	-12.9	0	0	0	110.1	R104 N106 K165 T167 E168 Y172 A173 D174	R104-N170 WeakPolarHBondContact CD-OD1 3.31Å; R104-N170 PolarHBondContact NE-OD1 2.91Å; N106-N170 VanDerWaalsContact ND2-CG 3.34Å; N106-N170 PolarHBondContact ND2-ND2 3.42Å; N106-N170 PolarHBondContact ND2-OD1 3.46Å; K165-N170 PolarHBondContact O-ND2 3.46Å; T167-N170 PolarHBondContact O-N 2.95Å; T167-N170 PolarHBondContact OG1-N 3.3Å; T167-N170 PolarHBondContact OG1-ND2 3.48Å; E168-N170 VanDerWaalsContact C-N 3.33Å; E168-N170 PolarHBondContact O-N 3.4Å; N170-Y172 VanDerWaalsContact C-N 3.28Å; N170-Y172 PolarHBondContact O-N 3.04Å; N170-A173 CarbonylContact O-C 3.55Å; N170-A173 WeakPolarHBondContact O-CA 3.33Å; N170-A173 PolarHBondContact O-N 3.18Å; N170-D174 WeakPolarHBondContact O-CB 3.39Å; N170-D174 PolarHBondContact O-N 3.09Å; N170-D174 VanDerWaalsContact O-OD2 3.05Å
171	L	97.3	Very high	97.4	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-52	-44.9	176.8	-170.4	64.4	0	0	0	112.4	F28 Y156 T167 E168 D174 I175 V203 P204 F243	F28-L171 HydrophobicContact CE1-CD1 4.45Å; F28-L171 HydrophobicContact CE1-CD2 4.02Å; F28-L171 HydrophobicContact CZ-CD2 3.93Å; Y156-L171 HydrophobicContact CD1-CD1 3.15Å; Y156-L171 HydrophobicContact CD2-CD1 3.87Å; Y156-L171 HydrophobicContact CE1-CD1 3.4Å; Y156-L171 HydrophobicContact CE2-CD1 4.09Å; Y156-L171 HydrophobicContact CG-CD1 3.39Å; T167-L171 PolarHBondContact O-N 3.49Å; E168-L171 WeakPolarHBondContact O-CB 3.49Å; E168-L171 PolarHBondContact O-N 2.9Å; L171-D174 PolarHBondContact O-N 3.09Å; L171-I175 PolarHBondContact O-N 3.01Å; L171-V203 HydrophobicContact CD2-CB 4.12Å; L171-V203 HydrophobicContact CD2-CG1 4.01Å; L171-P204 HydrophobicContact CD1-CB 4.5Å; L171-P204 HydrophobicContact CD1-CG 4Å; L171-P204 HydrophobicContact CD2-CG 4.27Å; L171-P204 HydrophobicContact CG-CB 4.03Å; L171-P204 HydrophobicContact CG-CG 3.89Å; L171-F243 HydrophobicContact CD2-CE1 4.35Å
172	Y	98.6	Very high	97.3	Very high	33 Å²	33	36.2 Å²	36.2	13%	0.129	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-41.7	173.8	-60.3	-34	0	0	0	113.4	E168 N170 D174 I175 D176 V203 D207 K248	E168-Y172 HydrophobicContact CG-CD2 4.18Å; E168-Y172 HydrophobicContact CG-CE2 3.47Å; E168-Y172 VanDerWaalsContact CG-CE2 3.47Å; E168-Y172 WeakPolarHBondContact O-CD2 3.16Å; E168-Y172 PolarHBondContact O-N 2.87Å; E168-Y172 VanDerWaalsContact O-N 3.09Å; E168-Y172 PolarHBondContact OE1-OH 3.45Å; N170-Y172 VanDerWaalsContact C-N 3.28Å; N170-Y172 PolarHBondContact O-N 3.04Å; Y172-D174 VanDerWaalsContact C-N 3.27Å; Y172-D174 PolarHBondContact O-N 3.49Å; Y172-I175 VanDerWaalsContact O-CG2 3.32Å; Y172-I175 WeakPolarHBondContact O-CG2 3.25Å; Y172-D176 PolarHBondContact O-N 3.19Å; Y172-D176 VanDerWaalsContact O-N 3.13Å; Y172-V203 HydrophobicContact CE1-CG1 3.75Å; Y172-D207 HydrophobicContact CD1-CB 3.59Å; Y172-D207 HydrophobicContact CE1-CB 3.45Å; Y172-D207 VanDerWaalsContact CE1-CB 3.45Å; Y172-D207 HydrophobicContact CG-CB 4.46Å; Y172-K248 PolarHBondContact OH-NZ 3.11Å
173	A	98.8	Very high	97.3	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-29.7	177.4	0	0	0	0	0	112.8	S102 R104 K169 N170 A177	S102-A173 WeakPolarHBondContact CB-O 3.33Å; R104-A173 HydrophobicContact CB-CB 4.26Å; R104-A173 HydrophobicContact CG-CB 3.63Å; K169-A173 PolarHBondContact O-N 2.89Å; N170-A173 CarbonylContact O-C 3.55Å; N170-A173 WeakPolarHBondContact O-CA 3.33Å; N170-A173 PolarHBondContact O-N 3.18Å; A173-A177 PolarHBondContact O-N 2.57Å; A173-A177 VanDerWaalsContact O-N 3.14Å
174	D	98.8	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-75.8	-42.2	-178.5	-60.9	-24.8	0	0	0	110.6	S102 V108 Y154 S157 N170 L171 Y172 D176 A177 A178	S102-D174 WeakPolarHBondContact CB-OD1 3.41Å; S102-D174 PolarHBondContact OG-OD1 2.88Å; V108-D174 HydrophobicContact CG2-CB 4.08Å; V108-D174 VanDerWaalsContact CG2-OD1 3.31Å; V108-D174 WeakPolarHBondContact CG2-OD1 2.99Å; Y154-D174 HydrophobicContact CD2-CB 4.25Å; Y154-D174 HydrophobicContact CE2-CB 4Å; S157-D174 WeakPolarHBondContact CB-OD2 3.46Å; S157-D174 PolarHBondContact N-OD2 3.28Å; S157-D174 PolarHBondContact OG-OD1 2.97Å; S157-D174 PolarHBondContact OG-OD2 2.72Å; N170-D174 WeakPolarHBondContact O-CB 3.39Å; N170-D174 PolarHBondContact O-N 3.09Å; N170-D174 VanDerWaalsContact O-OD2 3.05Å; L171-D174 PolarHBondContact O-N 3.09Å; Y172-D174 VanDerWaalsContact C-N 3.27Å; Y172-D174 PolarHBondContact O-N 3.49Å; D174-D176 VanDerWaalsContact C-N 3.34Å; D174-D176 PolarHBondContact O-N 2.7Å; D174-A177 WeakPolarHBondContact O-CB 3.45Å; D174-A177 PolarHBondContact O-N 2.86Å; D174-A178 PolarHBondContact O-N 3.1Å
175	I	98.9	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-35.7	172.8	-159.1	176.8	0	0	0	112.2	L124 Y154 L171 Y172 A177 A178 W179 P204 L208	L124-I175 HydrophobicContact CD2-CG1 4.3Å; Y154-I175 HydrophobicContact CE1-CB 4.46Å; Y154-I175 HydrophobicContact CE1-CG1 4.02Å; Y154-I175 HydrophobicContact CE2-CB 4.31Å; Y154-I175 VanDerWaalsContact OH-CB 3.23Å; Y154-I175 WeakPolarHBondContact OH-CB 3.42Å; Y154-I175 VanDerWaalsContact OH-CG1 3.32Å; Y154-I175 WeakPolarHBondContact OH-CG1 3.32Å; L171-I175 PolarHBondContact O-N 3.01Å; Y172-I175 VanDerWaalsContact O-CG2 3.32Å; Y172-I175 WeakPolarHBondContact O-CG2 3.25Å; I175-A177 VanDerWaalsContact C-N 3.25Å; I175-A177 PolarHBondContact O-N 3.05Å; I175-A178 PolarHBondContact O-N 3.17Å; I175-W179 VanDerWaalsContact O-CB 3.28Å; I175-W179 WeakPolarHBondContact O-CB 3.36Å; I175-W179 PolarHBondContact O-N 3.22Å; I175-P204 HydrophobicContact CB-CB 3.78Å; I175-P204 HydrophobicContact CD1-CB 3.85Å; I175-P204 WeakPolarHBondContact CD1-O 3.34Å; I175-P204 HydrophobicContact CG1-CB 4.34Å; I175-P204 HydrophobicContact CG2-CB 3.67Å; I175-L208 HydrophobicContact CD1-CB 3.96Å; I175-L208 HydrophobicContact CD1-CD2 3.81Å; I175-L208 HydrophobicContact CD1-CG 4.5Å; I175-L208 HydrophobicContact CG1-CD2 3.96Å; I175-L208 HydrophobicContact CG2-CB 4.28Å
176	D	98.8	Very high	97.1	Very high	50 Å²	50	39.5 Å²	39.5	27%	0.267	19%	0.186	S	C	.	.	H	α-helix	trans	-60	-39.4	173.4	-79.5	-25.7	0	0	0	111	Y172 D174 H180 R211	Y172-D176 PolarHBondContact O-N 3.19Å; Y172-D176 VanDerWaalsContact O-N 3.13Å; D174-D176 VanDerWaalsContact C-N 3.34Å; D174-D176 PolarHBondContact O-N 2.7Å; D176-H180 WeakPolarHBondContact O-CB 3.43Å; D176-H180 PolarHBondContact O-N 2.91Å; D176-R211 IonicContact OD1-CZ 3.99Å; D176-R211 VanDerWaalsContact OD1-CZ 3.27Å; D176-R211 IonicContact OD1-NH1 3.66Å; D176-R211 PolarHBondContact OD1-NH1 2.98Å; D176-R211 IonicContact OD1-NH2 3.09Å; D176-R211 PolarHBondContact OD1-NH2 3.14Å; D176-R211 IonicContact OD2-NH1 3.87Å; D176-R211 IonicContact OD2-NH2 3.61Å
177	A	98.8	Very high	97.3	Very high	7 Å²	7	42.8 Å²	42.8	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-68.8	-41.3	177.4	0	0	0	0	0	112.2	T100 A173 D174 I175 H180 A181	T100-A177 HydrophobicContact CG2-CB 3.72Å; A173-A177 PolarHBondContact O-N 2.57Å; A173-A177 VanDerWaalsContact O-N 3.14Å; D174-A177 WeakPolarHBondContact O-CB 3.45Å; D174-A177 PolarHBondContact O-N 2.86Å; I175-A177 VanDerWaalsContact C-N 3.25Å; I175-A177 PolarHBondContact O-N 3.05Å; A177-H180 PolarHBondContact O-N 2.84Å; A177-A181 WeakPolarHBondContact O-CB 3.39Å; A177-A181 PolarHBondContact O-N 3.36Å
178	A	98.8	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-48.5	174.9	0	0	0	0	0	111.9	L124 F152 Y154 D174 I175 H180 A181 L182	L124-A178 HydrophobicContact CD1-CB 4.02Å; F152-A178 HydrophobicContact CE1-CB 3.78Å; F152-A178 HydrophobicContact CZ-CB 4.48Å; Y154-A178 HydrophobicContact CD1-CB 3.48Å; Y154-A178 VanDerWaalsContact CD1-CB 3.48Å; Y154-A178 HydrophobicContact CD2-CB 4.23Å; Y154-A178 HydrophobicContact CE1-CB 3.96Å; Y154-A178 HydrophobicContact CG-CB 3.67Å; D174-A178 PolarHBondContact O-N 3.1Å; I175-A178 PolarHBondContact O-N 3.17Å; A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.44Å; A178-A181 PolarHBondContact O-N 3.17Å; A178-L182 WeakPolarHBondContact O-CB 3.39Å; A178-L182 PolarHBondContact O-N 2.86Å
179	W	98.8	Very high	97.6	Very high	8 Å²	8	43.8 Å²	43.8	3%	0.03	21%	0.213	C	C	.	.	H	α-helix	trans	-56.5	-46.1	174.1	174.2	-107.8	0	0	0	111.7	L124 I175 L182 R183 P190 I193 L195 L208 Y212 C214	L124-W179 HydrophobicContact CD2-CB 4.3Å; L124-W179 HydrophobicContact CD2-CE3 4.15Å; I175-W179 VanDerWaalsContact O-CB 3.28Å; I175-W179 WeakPolarHBondContact O-CB 3.36Å; I175-W179 PolarHBondContact O-N 3.22Å; W179-L182 PolarHBondContact O-N 3.25Å; W179-R183 VanDerWaalsContact CE2-CD 3.49Å; W179-R183 WeakPolarHBondContact O-CG 3.15Å; W179-R183 PolarHBondContact O-N 3.14Å; W179-P190 HydrophobicContact CH2-CB 3.79Å; W179-P190 HydrophobicContact CH2-CG 4.16Å; W179-P190 HydrophobicContact CZ2-CB 4.02Å; W179-P190 HydrophobicContact CZ2-CG 3.93Å; W179-I193 HydrophobicContact CE3-CD1 4.06Å; W179-I193 HydrophobicContact CE3-CG2 4.28Å; W179-I193 HydrophobicContact CH2-CD1 4.03Å; W179-I193 HydrophobicContact CZ3-CB 3.94Å; W179-I193 HydrophobicContact CZ3-CD1 3.62Å; W179-I193 HydrophobicContact CZ3-CG1 4.37Å; W179-I193 HydrophobicContact CZ3-CG2 3.69Å; W179-L195 HydrophobicContact CE3-CD2 4.12Å; W179-L195 HydrophobicContact CZ3-CD2 3.99Å; W179-L208 HydrophobicContact CB-CD1 4.17Å; W179-L208 HydrophobicContact CB-CD2 3.89Å; W179-L208 HydrophobicContact CD2-CD2 3.96Å; W179-L208 HydrophobicContact CE3-CD2 3.79Å; W179-L208 HydrophobicContact CG-CD1 4.1Å; W179-L208 HydrophobicContact CG-CD2 4.04Å; W179-Y212 HydrophobicContact CZ2-CG 4.34Å; W179-C214 HydrophobicContact CH2-CB 4.21Å; W179-C214 HydrophobicContact CZ3-CB 4.44Å
180	H	98.5	Very high	97.7	Very high	110 Å²	110	37.8 Å²	37.8	51%	0.509	19%	0.189	S	C	.	.	H	α-helix	trans	-62.9	-47.5	177.2	-173.5	69.6	0	0	0	111.6	D176 A177 A178 L182 R183 T184	D176-H180 WeakPolarHBondContact O-CB 3.43Å; D176-H180 PolarHBondContact O-N 2.91Å; A177-H180 PolarHBondContact O-N 2.84Å; A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.44Å; H180-L182 VanDerWaalsContact C-N 3.33Å; H180-L182 PolarHBondContact O-N 2.92Å; H180-R183 PolarHBondContact O-N 3.4Å; H180-T184 WeakPolarHBondContact CE1-CG2 3.4Å; H180-T184 PolarHBondContact O-N 3.26Å; H180-T184 PolarHBondContact O-OG1 3.18Å
181	A	98	Very high	97.6	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-43.3	178.7	0	0	0	0	0	111.9	F98 F152 A177 A178 R183 T184 R185	F98-A181 HydrophobicContact CE2-CB 3.93Å; F98-A181 HydrophobicContact CZ-CB 3.99Å; F152-A181 HydrophobicContact CZ-CB 4.36Å; A177-A181 WeakPolarHBondContact O-CB 3.39Å; A177-A181 PolarHBondContact O-N 3.36Å; A178-A181 PolarHBondContact O-N 3.17Å; A181-R183 VanDerWaalsContact C-N 3.28Å; A181-R183 PolarHBondContact O-N 2.79Å; A181-T184 PolarHBondContact O-N 3.31Å; A181-R185 WeakPolarHBondContact O-CA 3.17Å; A181-R185 WeakPolarHBondContact O-CB 3.24Å; A181-R185 PolarHBondContact O-N 3.26Å
182	L	96.5	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-42.1	177.8	-167.3	60.6	0	0	0	112	T122 L124 F152 A178 W179 H180 Y186 I188 I193	T122-L182 HydrophobicContact CG2-CD1 3.99Å; T122-L182 HydrophobicContact CG2-CD2 4.36Å; L124-L182 HydrophobicContact CB-CD2 4.14Å; F152-L182 HydrophobicContact CB-CD1 3.81Å; F152-L182 HydrophobicContact CB-CD2 4.47Å; F152-L182 HydrophobicContact CD2-CD1 3.56Å; F152-L182 HydrophobicContact CE2-CD1 4.26Å; F152-L182 HydrophobicContact CG-CD1 3.76Å; A178-L182 WeakPolarHBondContact O-CB 3.39Å; A178-L182 PolarHBondContact O-N 2.86Å; W179-L182 PolarHBondContact O-N 3.25Å; H180-L182 VanDerWaalsContact C-N 3.33Å; H180-L182 PolarHBondContact O-N 2.92Å; L182-Y186 HydrophobicContact CD1-CD2 4.08Å; L182-I188 HydrophobicContact CD1-CD1 3.66Å; L182-I188 HydrophobicContact CD1-CG1 4.46Å; L182-I188 HydrophobicContact CG-CB 4.4Å; L182-I188 HydrophobicContact CG-CD1 4.15Å; L182-I188 PolarHBondContact O-N 3.24Å; L182-I193 HydrophobicContact CD2-CB 4.5Å; L182-I193 HydrophobicContact CD2-CD1 3.72Å; L182-I193 HydrophobicContact CD2-CG1 3.83Å; L182-I193 HydrophobicContact CD2-CG2 3.84Å; L182-I193 HydrophobicContact CG-CD1 4.13Å; L182-I193 HydrophobicContact CG-CG1 4.49Å
183	R	97.6	Very high	97.7	Very high	109 Å²	109	43.3 Å²	43.3	41%	0.411	22%	0.217	S	C	.	.	H	α-helix	trans	-77.1	-34.3	-178.6	-68.1	-176.9	62.7	-155.4	0.3	113.8	W179 H180 A181 C187 I188 I193	W179-R183 VanDerWaalsContact CE2-CD 3.49Å; W179-R183 WeakPolarHBondContact O-CG 3.15Å; W179-R183 PolarHBondContact O-N 3.14Å; H180-R183 PolarHBondContact O-N 3.4Å; A181-R183 VanDerWaalsContact C-N 3.28Å; A181-R183 PolarHBondContact O-N 2.79Å; R183-C187 VanDerWaalsContact O-CA 3.25Å; R183-C187 WeakPolarHBondContact O-CA 3.08Å; R183-C187 PolarHBondContact O-N 2.8Å; R183-I188 WeakPolarHBondContact CG-O 3.45Å; R183-I193 HydrophobicContact CG-CD1 4Å
184	T	96.9	Very high	97.7	Very high	79 Å²	79	43.1 Å²	43.1	49%	0.485	22%	0.216	S	C	.	.	H	α-helix	trans	-95.7	-41.9	-174.7	57.9	0	0	0	0	113.2	H180 A181	H180-T184 WeakPolarHBondContact CE1-CG2 3.4Å; H180-T184 PolarHBondContact O-N 3.26Å; H180-T184 PolarHBondContact O-OG1 3.18Å; A181-T184 PolarHBondContact O-N 3.31Å
185	R	95.6	Very high	97.7	Very high	111 Å²	111	43.2 Å²	43.2	42%	0.419	22%	0.216	S	C	.	.	H	α-helix	trans	-74.3	-41.5	-180	-173	-180	179.9	88.6	3.5	112	E72 E96 A181	E72-R185 IonicContact OE2-NH1 3.38Å; E96-R185 IonicContact OE1-CZ 2.72Å; E96-R185 VanDerWaalsContact OE1-CZ 3.29Å; E96-R185 IonicContact OE1-NE 3.98Å; E96-R185 PolarHBondContact OE1-NE 3.19Å; E96-R185 IonicContact OE1-NH2 2.89Å; E96-R185 PolarHBondContact OE1-NH2 3.22Å; A181-R185 WeakPolarHBondContact O-CA 3.17Å; A181-R185 WeakPolarHBondContact O-CB 3.24Å; A181-R185 PolarHBondContact O-N 3.26Å
186	Y	94.9	Very high	97.7	Very high	29 Å²	29	43.2 Å²	43.2	11%	0.114	22%	0.216	C	C	.	.	S	Bend	trans	-108.3	1.9	-175.1	-57	-64.7	0	0	0	113.6	E96 F98 Y112 F152 L182 I188	E96-Y186 PolarHBondContact OE1-OH 2.85Å; E96-Y186 VanDerWaalsContact OE1-OH 3.07Å; E96-Y186 WeakPolarHBondContact OE2-CE1 3.4Å; E96-Y186 PolarHBondContact OE2-OH 3.46Å; F98-Y186 AromaticContact CE1-CE2 3.95Å; F98-Y186 HydrophobicContact CE1-CE2 3.95Å; F98-Y186 WeakPolarHBondContact CE1-OH 3.4Å; F98-Y186 HydrophobicContact CZ-CE2 4.2Å; Y112-Y186 AromaticContact CD1-CD1 3.89Å; Y112-Y186 HydrophobicContact CD1-CD1 3.89Å; Y112-Y186 HydrophobicContact CD1-CD2 4.12Å; Y112-Y186 AromaticContact CD1-CE1 3.4Å; Y112-Y186 HydrophobicContact CD1-CE1 3.4Å; Y112-Y186 AromaticContact CD1-CE2 3.67Å; Y112-Y186 HydrophobicContact CD1-CE2 3.67Å; Y112-Y186 HydrophobicContact CD1-CG 4.21Å; Y112-Y186 AromaticContact CD1-CZ 3.26Å; Y112-Y186 AromaticContact CE1-CD1 3.7Å; Y112-Y186 HydrophobicContact CE1-CD1 3.7Å; Y112-Y186 HydrophobicContact CE1-CD2 4.2Å; Y112-Y186 AromaticContact CE1-CE1 3.71Å; Y112-Y186 HydrophobicContact CE1-CE1 3.71Å; Y112-Y186 HydrophobicContact CE1-CE2 4.21Å; Y112-Y186 AromaticContact CE1-CG 3.94Å; Y112-Y186 HydrophobicContact CE1-CG 3.94Å; Y112-Y186 AromaticContact CE1-CZ 3.96Å; Y112-Y186 HydrophobicContact CG-CD2 4.46Å; Y112-Y186 HydrophobicContact CG-CE1 4.37Å; Y112-Y186 AromaticContact CG-CE2 3.88Å; Y112-Y186 HydrophobicContact CG-CE2 3.88Å; Y112-Y186 AromaticContact CG-CZ 3.81Å; F152-Y186 HydrophobicContact CD2-CD2 4.46Å; F152-Y186 HydrophobicContact CD2-CE2 4.06Å; F152-Y186 HydrophobicContact CE2-CD2 4.45Å; F152-Y186 AromaticContact CE2-CE2 3.9Å; F152-Y186 HydrophobicContact CE2-CE2 3.9Å; L182-Y186 HydrophobicContact CD1-CD2 4.08Å; Y186-I188 WeakPolarHBondContact O-CG1 3.45Å; Y186-I188 PolarHBondContact O-N 2.74Å; Y186-I188 VanDerWaalsContact O-N 3.11Å
187	C	95.9	Very high	97.7	Very high	101 Å²	101	40.9 Å²	40.9	68%	0.682	20%	0.203	S	C	*	.			trans	54.1	29.8	178.5	-56.9	0	0	0	0	113.8	R183	R183-C187 VanDerWaalsContact O-CA 3.25Å; R183-C187 WeakPolarHBondContact O-CA 3.08Å; R183-C187 PolarHBondContact O-N 2.8Å
188	I	96.5	Very high	97.7	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.108	21%	0.205	C	C	.	.			trans	-82.6	122.4	-179.7	-48.9	-172.8	0	0	0	108.6	T122 L182 R183 Y186 N192 I193	T122-I188 HydrophobicContact CG2-CD1 4Å; T122-I188 WeakPolarHBondContact OG1-CD1 3.25Å; L182-I188 HydrophobicContact CD1-CD1 3.66Å; L182-I188 HydrophobicContact CD1-CG1 4.46Å; L182-I188 HydrophobicContact CG-CB 4.4Å; L182-I188 HydrophobicContact CG-CD1 4.15Å; L182-I188 PolarHBondContact O-N 3.24Å; R183-I188 WeakPolarHBondContact CG-O 3.45Å; Y186-I188 WeakPolarHBondContact O-CG1 3.45Å; Y186-I188 PolarHBondContact O-N 2.74Å; Y186-I188 VanDerWaalsContact O-N 3.11Å; I188-N192 HydrophobicContact CG2-CB 3.98Å; I188-I193 HydrophobicContact CB-CD1 4.42Å; I188-I193 HydrophobicContact CB-CG1 4.35Å; I188-I193 HydrophobicContact CG2-CD1 4.2Å; I188-I193 HydrophobicContact CG2-CG1 3.63Å
189	I	97.3	Very high	97.6	Very high	90 Å²	90	42.1 Å²	42.1	46%	0.462	21%	0.21	S	C	.	.			trans	-76.9	149.6	177.9	63.6	175.7	0	0	0	110.9	E191 N192	I189-E191 WeakPolarHBondContact CB-OE2 3.28Å; I189-E191 HydrophobicContact CD1-CB 4.41Å; I189-E191 HydrophobicContact CG1-CB 4.49Å; I189-E191 WeakPolarHBondContact CG1-OE2 3.29Å; I189-E191 PolarHBondContact O-N 3.09Å; I189-E191 VanDerWaalsContact O-N 3.11Å; I189-N192 HydrophobicContact CG1-CB 4.24Å; I189-N192 PolarHBondContact O-N 3.36Å
190	P	98	Very high	97.5	Very high	21 Å²	21	42.3 Å²	42.3	14%	0.136	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-49.6	-36.5	-178.5	-30.2	37.9	0	0	0	115.2	W179 N192 I193 E213 C214 A215	W179-P190 HydrophobicContact CH2-CB 3.79Å; W179-P190 HydrophobicContact CH2-CG 4.16Å; W179-P190 HydrophobicContact CZ2-CB 4.02Å; W179-P190 HydrophobicContact CZ2-CG 3.93Å; P190-N192 PolarHBondContact O-N 3.31Å; P190-N192 VanDerWaalsContact O-N 3.16Å; P190-I193 PolarHBondContact O-N 2.91Å; P190-E213 WeakPolarHBondContact CB-O 3.27Å; P190-C214 WeakPolarHBondContact O-CA 3.44Å; P190-A215 PolarHBondContact O-N 3.42Å; P190-A215 VanDerWaalsContact O-N 3.12Å
191	E	97.4	Very high	97.5	Very high	115 Å²	115	37 Å²	37	54%	0.537	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-67.7	-13	-178.9	-58.1	73.3	-159.1	0	0	113.1	I189 A215	I189-E191 WeakPolarHBondContact CB-OE2 3.28Å; I189-E191 HydrophobicContact CD1-CB 4.41Å; I189-E191 HydrophobicContact CG1-CB 4.49Å; I189-E191 WeakPolarHBondContact CG1-OE2 3.29Å; I189-E191 PolarHBondContact O-N 3.09Å; I189-E191 VanDerWaalsContact O-N 3.11Å; E191-A215 WeakPolarHBondContact O-CB 3.3Å
192	N	97.5	Very high	97.5	Very high	50 Å²	50	36.8 Å²	36.8	27%	0.267	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-108.6	8.4	174.4	-72.5	-13.1	0	0	0	112.6	R120 F121 T122 I188 I189 P190	R120-N192 WeakPolarHBondContact O-CB 3.22Å; F121-N192 WeakPolarHBondContact CA-O 3.36Å; T122-N192 PolarHBondContact N-O 3.03Å; I188-N192 HydrophobicContact CG2-CB 3.98Å; I189-N192 HydrophobicContact CG1-CB 4.24Å; I189-N192 PolarHBondContact O-N 3.36Å; P190-N192 PolarHBondContact O-N 3.31Å; P190-N192 VanDerWaalsContact O-N 3.16Å
193	I	98.7	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.3	179.4	-58.6	168	0	0	0	109.8	T122 L124 W179 L182 R183 I188 P190 L195 C214 A215	T122-I193 WeakPolarHBondContact O-CA 3.37Å; L124-I193 HydrophobicContact CB-CG2 4.05Å; W179-I193 HydrophobicContact CE3-CD1 4.06Å; W179-I193 HydrophobicContact CE3-CG2 4.28Å; W179-I193 HydrophobicContact CH2-CD1 4.03Å; W179-I193 HydrophobicContact CZ3-CB 3.94Å; W179-I193 HydrophobicContact CZ3-CD1 3.62Å; W179-I193 HydrophobicContact CZ3-CG1 4.37Å; W179-I193 HydrophobicContact CZ3-CG2 3.69Å; L182-I193 HydrophobicContact CD2-CB 4.5Å; L182-I193 HydrophobicContact CD2-CD1 3.72Å; L182-I193 HydrophobicContact CD2-CG1 3.83Å; L182-I193 HydrophobicContact CD2-CG2 3.84Å; L182-I193 HydrophobicContact CG-CD1 4.13Å; L182-I193 HydrophobicContact CG-CG1 4.49Å; R183-I193 HydrophobicContact CG-CD1 4Å; I188-I193 HydrophobicContact CB-CD1 4.42Å; I188-I193 HydrophobicContact CB-CG1 4.35Å; I188-I193 HydrophobicContact CG2-CD1 4.2Å; I188-I193 HydrophobicContact CG2-CG1 3.63Å; P190-I193 PolarHBondContact O-N 2.91Å; I193-L195 HydrophobicContact CG2-CD2 4.01Å; I193-C214 WeakPolarHBondContact O-CB 3.4Å; I193-A215 WeakPolarHBondContact O-CB 3.22Å; I193-A215 PolarHBondContact O-N 3.05Å
194	I	98.9	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.3	169.2	-61.4	173	0	0	0	107.4	F121 T122 V123 L124 A215 A216 I218 I310 L314	F121-I194 HydrophobicContact CB-CD1 3.78Å; F121-I194 HydrophobicContact CB-CG1 4.21Å; F121-I194 HydrophobicContact CD1-CD1 4.33Å; F121-I194 HydrophobicContact CD1-CG1 4.31Å; F121-I194 HydrophobicContact CD2-CD1 4.28Å; F121-I194 HydrophobicContact CG-CD1 3.9Å; F121-I194 HydrophobicContact CG-CG1 4.32Å; T122-I194 PolarHBondContact O-N 3.17Å; V123-I194 CarbonylContact C-O 3.57Å; V123-I194 VanDerWaalsContact CA-O 3.28Å; V123-I194 WeakPolarHBondContact CA-O 3.32Å; V123-I194 HydrophobicContact CG2-CB 4.34Å; L124-I194 PolarHBondContact N-O 2.92Å; I194-A215 HydrophobicContact CG1-CB 4.06Å; I194-A216 WeakPolarHBondContact CA-O 3.4Å; I194-A216 HydrophobicContact CG1-CB 4.39Å; I194-A216 HydrophobicContact CG2-CB 4.33Å; I194-I218 HydrophobicContact CG2-CD1 3.72Å; I194-I218 HydrophobicContact CG2-CG1 4.08Å; I194-I310 HydrophobicContact CD1-CD1 4.1Å; I194-I310 HydrophobicContact CD1-CG1 3.92Å; I194-I310 HydrophobicContact CD1-CG2 4.15Å; I194-L314 HydrophobicContact CD1-CD1 4Å; I194-L314 HydrophobicContact CG1-CD1 4.37Å
195	L	98.9	Very high	97.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.4	172.7	-56.4	-179.4	0	0	0	109	L124 W179 I193 T205 L208 A209 C214 A216 V217 I218	L124-L195 HydrophobicContact CB-CD2 3.9Å; L124-L195 HydrophobicContact CD2-CD2 3.7Å; L124-L195 HydrophobicContact CG-CD2 4.08Å; W179-L195 HydrophobicContact CE3-CD2 4.12Å; W179-L195 HydrophobicContact CZ3-CD2 3.99Å; I193-L195 HydrophobicContact CG2-CD2 4.01Å; L195-T205 HydrophobicContact CB-CG2 3.89Å; L195-L208 HydrophobicContact CD1-CB 4.37Å; L195-L208 HydrophobicContact CD1-CD2 3.91Å; L195-L208 HydrophobicContact CD1-CG 4.26Å; L195-L208 HydrophobicContact CD2-CD2 3.81Å; L195-A209 HydrophobicContact CD1-CB 3.87Å; L195-C214 HydrophobicContact CG-CB 4.34Å; L195-A216 PolarHBondContact N-O 3.28Å; L195-V217 CarbonylContact O-C 3.5Å; L195-V217 WeakPolarHBondContact O-CA 3.33Å; L195-I218 PolarHBondContact O-N 2.9Å
196	Y	98.9	Very high	97.9	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.3	178.2	-167.9	-56.9	0	0	0	109.2	V123 L124 F125 S126 Q198 I218 H220 Y302 L306	V123-Y196 VanDerWaalsContact CG1-CB 3.43Å; V123-Y196 HydrophobicContact CG1-CD2 4.42Å; V123-Y196 HydrophobicContact CG1-CG 4.29Å; L124-Y196 PolarHBondContact O-N 2.93Å; F125-Y196 CarbonylContact C-O 3.6Å; F125-Y196 VanDerWaalsContact CA-O 3.32Å; F125-Y196 WeakPolarHBondContact CA-O 3.21Å; F125-Y196 AromaticContact CD2-CD1 3.59Å; F125-Y196 HydrophobicContact CD2-CD1 3.59Å; F125-Y196 HydrophobicContact CD2-CD2 4.25Å; F125-Y196 HydrophobicContact CD2-CE1 4.25Å; F125-Y196 AromaticContact CD2-CG 3.63Å; F125-Y196 HydrophobicContact CD2-CG 3.63Å; F125-Y196 HydrophobicContact CE1-CD1 4.29Å; F125-Y196 AromaticContact CE2-CD1 3.17Å; F125-Y196 HydrophobicContact CE2-CD1 3.17Å; F125-Y196 HydrophobicContact CE2-CD2 4.05Å; F125-Y196 AromaticContact CE2-CE1 3.38Å; F125-Y196 HydrophobicContact CE2-CE1 3.38Å; F125-Y196 HydrophobicContact CE2-CE2 4.2Å; F125-Y196 AromaticContact CE2-CG 3.59Å; F125-Y196 HydrophobicContact CE2-CG 3.59Å; F125-Y196 AromaticContact CE2-CZ 3.91Å; F125-Y196 HydrophobicContact CG-CD1 4.31Å; F125-Y196 HydrophobicContact CG-CG 4.5Å; F125-Y196 AromaticContact CZ-CD1 3.58Å; F125-Y196 HydrophobicContact CZ-CD1 3.58Å; F125-Y196 AromaticContact CZ-CE1 3.57Å; F125-Y196 HydrophobicContact CZ-CE1 3.57Å; F125-Y196 HydrophobicContact CZ-CG 4.42Å; S126-Y196 PolarHBondContact N-O 3.13Å; Y196-Q198 HydrophobicContact CE1-CB 4.37Å; Y196-I218 WeakPolarHBondContact CA-O 3.41Å; Y196-I218 HydrophobicContact CD2-CB 3.67Å; Y196-I218 HydrophobicContact CD2-CD1 3.73Å; Y196-I218 HydrophobicContact CD2-CG1 4.29Å; Y196-I218 HydrophobicContact CD2-CG2 3.66Å; Y196-I218 HydrophobicContact CE1-CG2 4.47Å; Y196-I218 HydrophobicContact CE2-CB 4.03Å; Y196-I218 HydrophobicContact CE2-CD1 4.14Å; Y196-I218 HydrophobicContact CE2-CG2 3.45Å; Y196-I218 VanDerWaalsContact CE2-CG2 3.45Å; Y196-I218 HydrophobicContact CG-CB 4.07Å; Y196-I218 HydrophobicContact CG-CG2 4.25Å; Y196-H220 HydrophobicContact CE1-CB 3.65Å; Y196-H220 WeakPolarHBondContact OH-CB 3.32Å; Y196-H220 PolarHBondContact OH-ND1 2.85Å; Y196-Y302 WeakPolarHBondContact OH-CE2 3.35Å; Y196-Y302 PolarHBondContact OH-OH 3.05Å; Y196-L306 HydrophobicContact CE2-CD2 4.23Å
197	G	98.8	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.7	172.6	0	0	0	0	0	111.4	T202 T205 I218 H220	G197-T202 WeakPolarHBondContact O-CG2 3.42Å; G197-T205 WeakPolarHBondContact CA-OG1 3.44Å; G197-T205 PolarHBondContact N-OG1 3.23Å; G197-I218 PolarHBondContact N-O 3.34Å; G197-H220 PolarHBondContact O-N 3.45Å
198	Q	98.6	Very high	98.2	Very high	20 Å²	20	17.3 Å²	17.3	9%	0.093	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.4	171.4	-177.8	177.1	21.3	0	0	110.9	F125 S126 G128 Y196 I200 G201 H220 E297	F125-Q198 HydrophobicContact CE1-CB 4.2Å; F125-Q198 HydrophobicContact CZ-CB 4.18Å; S126-Q198 PolarHBondContact O-N 3.1Å; S126-Q198 VanDerWaalsContact O-N 3.08Å; G128-Q198 WeakPolarHBondContact CA-O 3.5Å; Y196-Q198 HydrophobicContact CE1-CB 4.37Å; Q198-I200 PolarHBondContact O-N 3.18Å; Q198-G201 WeakPolarHBondContact O-CA 3.24Å; Q198-G201 PolarHBondContact O-N 3.25Å; Q198-H220 CarbonylContact C-O 3.09Å; Q198-H220 WeakPolarHBondContact CA-O 3.43Å; Q198-H220 HydrophobicContact CB-CB 4.39Å; Q198-H220 HydrophobicContact CG-CB 4.45Å; Q198-E297 PolarHBondContact NE2-OE1 2.85Å
199	S	97.1	Very high	98.3	Very high	14 Å²	14	16.3 Å²	16.3	10%	0.098	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	51.7	-120.9	178.4	-173.7	0	0	0	0	110.7	G201 T202 H220 S221 H293	S199-G201 PolarHBondContact O-N 3.36Å; S199-G201 VanDerWaalsContact O-N 3.14Å; S199-T202 WeakPolarHBondContact O-CB 3.23Å; S199-T202 WeakPolarHBondContact O-CG2 3.25Å; S199-T202 PolarHBondContact O-N 3.38Å; S199-T202 PolarHBondContact O-OG1 2.74Å; S199-H220 PolarHBondContact N-O 3.09Å; S199-S221 WeakPolarHBondContact CA-O 3.49Å; S199-H293 VanDerWaalsContact CB-NE2 3.27Å; S199-H293 WeakPolarHBondContact CB-NE2 3.43Å; S199-H293 PolarHBondContact OG-CE1 2.85Å; S199-H293 PolarHBondContact OG-NE2 3.06Å
200	I	96.6	Very high	98.4	Very high	11 Å²	11	13.1 Å²	13.1	6%	0.056	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-57	-26.7	174.5	-160.5	165.7	0	0	0	113.9	A27 F28 N129 Y156 Q198 T202 V203 P204 F243	A27-I200 HydrophobicContact CB-CD1 4.48Å; A27-I200 WeakPolarHBondContact O-CD1 3.44Å; F28-I200 HydrophobicContact CD1-CD1 3.6Å; F28-I200 HydrophobicContact CE1-CD1 3.4Å; F28-I200 HydrophobicContact CE1-CG1 4.24Å; F28-I200 HydrophobicContact CG-CD1 4.46Å; F28-I200 HydrophobicContact CZ-CD1 4.13Å; N129-I200 HydrophobicContact CB-CG2 3.92Å; Y156-I200 HydrophobicContact CE2-CG2 4.31Å; Q198-I200 PolarHBondContact O-N 3.18Å; I200-T202 PolarHBondContact O-N 2.88Å; I200-V203 HydrophobicContact CG1-CG2 4.39Å; I200-V203 VanDerWaalsContact O-CB 3.23Å; I200-V203 WeakPolarHBondContact O-CB 3.49Å; I200-V203 VanDerWaalsContact O-CG2 3.23Å; I200-V203 WeakPolarHBondContact O-CG2 3.48Å; I200-V203 PolarHBondContact O-N 2.83Å; I200-P204 WeakPolarHBondContact O-CD 3.47Å; I200-F243 HydrophobicContact CD1-CE2 4.21Å; I200-F243 HydrophobicContact CD1-CZ 4.31Å
201	G	98.4	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-64.9	-16	175	0	0	0	0	0	114.1	S126 H127 Y156 Q198 S199 V203 P204 T205	S126-G201 WeakPolarHBondContact CB-O 3.41Å; H127-G201 WeakPolarHBondContact O-CA 3.42Å; H127-G201 PolarHBondContact O-N 3.46Å; Y156-G201 WeakPolarHBondContact OH-CA 3.43Å; Q198-G201 WeakPolarHBondContact O-CA 3.24Å; Q198-G201 PolarHBondContact O-N 3.25Å; S199-G201 PolarHBondContact O-N 3.36Å; S199-G201 VanDerWaalsContact O-N 3.14Å; G201-V203 PolarHBondContact O-N 3.26Å; G201-P204 VanDerWaalsContact O-CD 3.28Å; G201-P204 WeakPolarHBondContact O-CD 3.3Å; G201-P204 WeakPolarHBondContact O-CG 3.41Å; G201-T205 WeakPolarHBondContact O-CB 3.41Å; G201-T205 PolarHBondContact O-N 2.97Å; G201-T205 PolarHBondContact O-OG1 3.13Å
202	T	98.8	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.1	-23.3	171.3	64.5	0	0	0	0	112.2	G197 S199 I200 T205 V206 L219 P222 L223	G197-T202 WeakPolarHBondContact O-CG2 3.42Å; S199-T202 WeakPolarHBondContact O-CB 3.23Å; S199-T202 WeakPolarHBondContact O-CG2 3.25Å; S199-T202 PolarHBondContact O-N 3.38Å; S199-T202 PolarHBondContact O-OG1 2.74Å; I200-T202 PolarHBondContact O-N 2.88Å; T202-T205 PolarHBondContact O-N 3.01Å; T202-V206 WeakPolarHBondContact O-CB 3.31Å; T202-V206 VanDerWaalsContact O-CG2 3.25Å; T202-V206 WeakPolarHBondContact O-CG2 3.19Å; T202-V206 PolarHBondContact O-N 2.97Å; T202-L219 HydrophobicContact CG2-CB 4.3Å; T202-L219 HydrophobicContact CG2-CD2 4.22Å; T202-P222 HydrophobicContact CG2-CB 3.74Å; T202-L223 WeakPolarHBondContact OG1-CD2 3.29Å
203	V	98.4	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-58	179.7	179.2	0	0	0	0	113.1	L171 Y172 I200 G201 T205 D207 L223 F243 N245	L171-V203 HydrophobicContact CD2-CB 4.12Å; L171-V203 HydrophobicContact CD2-CG1 4.01Å; Y172-V203 HydrophobicContact CE1-CG1 3.75Å; I200-V203 HydrophobicContact CG1-CG2 4.39Å; I200-V203 VanDerWaalsContact O-CB 3.23Å; I200-V203 WeakPolarHBondContact O-CB 3.49Å; I200-V203 VanDerWaalsContact O-CG2 3.23Å; I200-V203 WeakPolarHBondContact O-CG2 3.48Å; I200-V203 PolarHBondContact O-N 2.83Å; G201-V203 PolarHBondContact O-N 3.26Å; V203-T205 VanDerWaalsContact C-N 3.28Å; V203-T205 PolarHBondContact O-N 2.89Å; V203-D207 PolarHBondContact O-N 3.05Å; V203-L223 HydrophobicContact CG2-CD1 4.42Å; V203-L223 HydrophobicContact CG2-CD2 3.62Å; V203-L223 HydrophobicContact CG2-CG 4.27Å; V203-F243 HydrophobicContact CB-CB 4.3Å; V203-F243 HydrophobicContact CB-CD1 4.42Å; V203-F243 HydrophobicContact CB-CG 4.44Å; V203-F243 HydrophobicContact CG1-CB 3.69Å; V203-F243 HydrophobicContact CG1-CD1 3.49Å; V203-F243 VanDerWaalsContact CG1-CD1 3.49Å; V203-F243 HydrophobicContact CG1-CE1 4.32Å; V203-F243 HydrophobicContact CG1-CG 3.81Å; V203-F243 HydrophobicContact CG2-CB 3.6Å; V203-F243 HydrophobicContact CG2-CD1 4.28Å; V203-F243 HydrophobicContact CG2-CD2 4.33Å; V203-F243 HydrophobicContact CG2-CG 3.84Å; V203-N245 WeakPolarHBondContact CA-OD1 3.19Å
204	P	98.8	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-33.5	175.8	26.2	-34.2	0	0	0	111.6	Y156 L171 I175 I200 G201 D207 L208	Y156-P204 HydrophobicContact CE1-CG 4.41Å; L171-P204 HydrophobicContact CD1-CB 4.5Å; L171-P204 HydrophobicContact CD1-CG 4Å; L171-P204 HydrophobicContact CD2-CG 4.27Å; L171-P204 HydrophobicContact CG-CB 4.03Å; L171-P204 HydrophobicContact CG-CG 3.89Å; I175-P204 HydrophobicContact CB-CB 3.78Å; I175-P204 HydrophobicContact CD1-CB 3.85Å; I175-P204 WeakPolarHBondContact CD1-O 3.34Å; I175-P204 HydrophobicContact CG1-CB 4.34Å; I175-P204 HydrophobicContact CG2-CB 3.67Å; I200-P204 WeakPolarHBondContact O-CD 3.47Å; G201-P204 VanDerWaalsContact O-CD 3.28Å; G201-P204 WeakPolarHBondContact O-CD 3.3Å; G201-P204 WeakPolarHBondContact O-CG 3.41Å; P204-D207 PolarHBondContact O-N 2.78Å; P204-L208 WeakPolarHBondContact O-CB 3.48Å; P204-L208 PolarHBondContact O-N 2.96Å
205	T	98.9	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-51.8	178	-66.3	0	0	0	0	111.9	S126 L195 G197 G201 T202 V203 D207 L208 A209 V217 L219	S126-T205 PolarHBondContact OG-OG1 3.41Å; L195-T205 HydrophobicContact CB-CG2 3.89Å; G197-T205 WeakPolarHBondContact CA-OG1 3.44Å; G197-T205 PolarHBondContact N-OG1 3.23Å; G201-T205 WeakPolarHBondContact O-CB 3.41Å; G201-T205 PolarHBondContact O-N 2.97Å; G201-T205 PolarHBondContact O-OG1 3.13Å; T202-T205 PolarHBondContact O-N 3.01Å; V203-T205 VanDerWaalsContact C-N 3.28Å; V203-T205 PolarHBondContact O-N 2.89Å; T205-D207 VanDerWaalsContact C-N 3.35Å; T205-D207 PolarHBondContact O-N 2.85Å; T205-L208 PolarHBondContact O-N 2.56Å; T205-A209 VanDerWaalsContact O-CB 3.24Å; T205-A209 WeakPolarHBondContact O-CB 3.39Å; T205-A209 PolarHBondContact O-N 3.14Å; T205-V217 HydrophobicContact CG2-CG1 3.74Å; T205-L219 HydrophobicContact CG2-CD2 3.76Å
206	V	98.9	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.1	-40.3	177.5	167.5	0	0	0	0	111.1	T202 S210 L219 N245 K248 V249 I252	T202-V206 WeakPolarHBondContact O-CB 3.31Å; T202-V206 VanDerWaalsContact O-CG2 3.25Å; T202-V206 WeakPolarHBondContact O-CG2 3.19Å; T202-V206 PolarHBondContact O-N 2.97Å; V206-S210 VanDerWaalsContact O-CB 3.29Å; V206-S210 WeakPolarHBondContact O-CB 3.42Å; V206-S210 PolarHBondContact O-N 3.18Å; V206-S210 PolarHBondContact O-OG 3.32Å; V206-L219 HydrophobicContact CG2-CD1 3.82Å; V206-L219 HydrophobicContact CG2-CD2 3.74Å; V206-L219 HydrophobicContact CG2-CG 4.47Å; V206-N245 HydrophobicContact CB-CB 4.47Å; V206-N245 HydrophobicContact CG1-CB 4.13Å; V206-N245 HydrophobicContact CG2-CB 4.49Å; V206-K248 HydrophobicContact CG1-CB 3.75Å; V206-V249 HydrophobicContact CG1-CB 4.45Å; V206-I252 HydrophobicContact CG1-CD1 4.29Å; V206-I252 HydrophobicContact CG2-CD1 4.36Å
207	D	98.8	Very high	98.4	Very high	19 Å²	19	20.2 Å²	20.2	10%	0.102	10%	0.095	C	C	.	.	H	α-helix	trans	-60.4	-47.8	177	-177.3	87	0	0	0	112.3	Y172 V203 P204 T205 S210 R211 K248	Y172-D207 HydrophobicContact CD1-CB 3.59Å; Y172-D207 HydrophobicContact CE1-CB 3.45Å; Y172-D207 VanDerWaalsContact CE1-CB 3.45Å; Y172-D207 HydrophobicContact CG-CB 4.46Å; V203-D207 PolarHBondContact O-N 3.05Å; P204-D207 PolarHBondContact O-N 2.78Å; T205-D207 VanDerWaalsContact C-N 3.35Å; T205-D207 PolarHBondContact O-N 2.85Å; D207-S210 PolarHBondContact O-N 2.64Å; D207-S210 PolarHBondContact O-OG 2.81Å; D207-R211 PolarHBondContact O-NE 3.5Å; D207-R211 IonicContact OD2-CZ 3.01Å; D207-R211 IonicContact OD2-NE 3.01Å; D207-R211 PolarHBondContact OD2-NE 3.49Å; D207-R211 IonicContact OD2-NH2 3.8Å; D207-R211 PolarHBondContact OD2-NH2 3.16Å; D207-K248 HydrophobicContact CB-CD 4.36Å; D207-K248 IonicContact OD1-NZ 2.81Å; D207-K248 PolarHBondContact OD1-NZ 2.99Å
208	L	98.8	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-47.6	178.9	-173.2	73.5	0	0	0	111.2	L124 I175 W179 L195 P204 T205 S210 R211 Y212	L124-L208 HydrophobicContact CD2-CD2 4.16Å; I175-L208 HydrophobicContact CD1-CB 3.96Å; I175-L208 HydrophobicContact CD1-CD2 3.81Å; I175-L208 HydrophobicContact CD1-CG 4.5Å; I175-L208 HydrophobicContact CG1-CD2 3.96Å; I175-L208 HydrophobicContact CG2-CB 4.28Å; W179-L208 HydrophobicContact CB-CD1 4.17Å; W179-L208 HydrophobicContact CB-CD2 3.89Å; W179-L208 HydrophobicContact CD2-CD2 3.96Å; W179-L208 HydrophobicContact CE3-CD2 3.79Å; W179-L208 HydrophobicContact CG-CD1 4.1Å; W179-L208 HydrophobicContact CG-CD2 4.04Å; L195-L208 HydrophobicContact CD1-CB 4.37Å; L195-L208 HydrophobicContact CD1-CD2 3.91Å; L195-L208 HydrophobicContact CD1-CG 4.26Å; L195-L208 HydrophobicContact CD2-CD2 3.81Å; P204-L208 WeakPolarHBondContact O-CB 3.48Å; P204-L208 PolarHBondContact O-N 2.96Å; T205-L208 PolarHBondContact O-N 2.56Å; L208-S210 PolarHBondContact O-N 2.81Å; L208-R211 PolarHBondContact O-N 3.47Å; L208-Y212 HydrophobicContact CD1-CD2 3.61Å; L208-Y212 HydrophobicContact CD1-CE2 3.81Å; L208-Y212 HydrophobicContact CG-CD2 4.18Å; L208-Y212 PolarHBondContact O-N 2.73Å
209	A	98.8	Very high	98.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-63.5	-25.3	179.5	0	0	0	0	0	113.5	L195 T205 R211 V217 I252	L195-A209 HydrophobicContact CD1-CB 3.87Å; T205-A209 VanDerWaalsContact O-CB 3.24Å; T205-A209 WeakPolarHBondContact O-CB 3.39Å; T205-A209 PolarHBondContact O-N 3.14Å; A209-R211 PolarHBondContact O-N 2.79Å; A209-V217 HydrophobicContact CB-CG2 3.59Å; A209-I252 HydrophobicContact CB-CD1 3.87Å; A209-I252 HydrophobicContact CB-CG1 3.85Å; A209-I252 HydrophobicContact CB-CG2 4.12Å
210	S	98.6	Very high	98.5	Very high	23 Å²	23	18.7 Å²	18.7	16%	0.161	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.6	175	76.2	0	0	0	0	113.6	V206 D207 L208	V206-S210 VanDerWaalsContact O-CB 3.29Å; V206-S210 WeakPolarHBondContact O-CB 3.42Å; V206-S210 PolarHBondContact O-N 3.18Å; V206-S210 PolarHBondContact O-OG 3.32Å; D207-S210 PolarHBondContact O-N 2.64Å; D207-S210 PolarHBondContact O-OG 2.81Å; L208-S210 PolarHBondContact O-N 2.81Å
211	R	98.3	Very high	98.6	Very high	101 Å²	101	18.2 Å²	18.2	38%	0.381	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-25.8	-177	-65.1	-177.7	-73.2	129.3	-3.5	113.2	D176 D207 L208 A209	D176-R211 IonicContact OD1-CZ 3.99Å; D176-R211 VanDerWaalsContact OD1-CZ 3.27Å; D176-R211 IonicContact OD1-NH1 3.66Å; D176-R211 PolarHBondContact OD1-NH1 2.98Å; D176-R211 IonicContact OD1-NH2 3.09Å; D176-R211 PolarHBondContact OD1-NH2 3.14Å; D176-R211 IonicContact OD2-NH1 3.87Å; D176-R211 IonicContact OD2-NH2 3.61Å; D207-R211 PolarHBondContact O-NE 3.5Å; D207-R211 IonicContact OD2-CZ 3.01Å; D207-R211 IonicContact OD2-NE 3.01Å; D207-R211 PolarHBondContact OD2-NE 3.49Å; D207-R211 IonicContact OD2-NH2 3.8Å; D207-R211 PolarHBondContact OD2-NH2 3.16Å; L208-R211 PolarHBondContact O-N 3.47Å; A209-R211 PolarHBondContact O-N 2.79Å
212	Y	97.9	Very high	98.6	Very high	95 Å²	95	18.2 Å²	18.2	37%	0.373	8%	0.084	S	C	.	.	S	Bend	trans	-132.7	139.9	-176.8	-59.7	-77.4	0	0	0	111.2	W179 L208	W179-Y212 HydrophobicContact CZ2-CG 4.34Å; L208-Y212 HydrophobicContact CD1-CD2 3.61Å; L208-Y212 HydrophobicContact CD1-CE2 3.81Å; L208-Y212 HydrophobicContact CG-CD2 4.18Å; L208-Y212 PolarHBondContact O-N 2.73Å
213	E	97.5	Very high	98.5	Very high	120 Å²	120	18.7 Å²	18.7	56%	0.561	9%	0.087	S	C	*	.			trans	-76.6	141.3	166.3	-168.8	165	-164.2	0	0	109.8	P190	P190-E213 WeakPolarHBondContact CB-O 3.27Å
214	C	98.3	Very high	98.5	Very high	7 Å²	7	19 Å²	19	5%	0.047	9%	0.088	C	C	.	.			trans	-142.3	175	177.8	62.6	0	0	0	0	109.7	W179 P190 I193 L195 A216 S254	W179-C214 HydrophobicContact CH2-CB 4.21Å; W179-C214 HydrophobicContact CZ3-CB 4.44Å; P190-C214 WeakPolarHBondContact O-CA 3.44Å; I193-C214 WeakPolarHBondContact O-CB 3.4Å; L195-C214 HydrophobicContact CG-CB 4.34Å; C214-A216 VanDerWaalsContact C-N 3.29Å; C214-A216 PolarHBondContact O-N 3.49Å; C214-A216 PolarHBondContact SG-O 3.18Å; C214-A216 VanDerWaalsContact SG-O 3.36Å; C214-S254 PolarHBondContact N-OG 3.29Å; C214-S254 WeakPolarHBondContact O-CB 3.47Å; C214-S254 PolarHBondContact O-OG 3.23Å; C214-S254 PolarHBondContact SG-OG 3.07Å
215	A	98.4	Very high	98.3	Very high	14 Å²	14	19 Å²	19	12%	0.116	9%	0.088	C	C	.	.	S	Bend	trans	-55.6	-46.3	179.4	0	0	0	0	0	112	F121 P190 E191 I193 I194	F121-A215 HydrophobicContact CD1-CB 3.94Å; F121-A215 HydrophobicContact CE1-CB 3.78Å; P190-A215 PolarHBondContact O-N 3.42Å; P190-A215 VanDerWaalsContact O-N 3.12Å; E191-A215 WeakPolarHBondContact O-CB 3.3Å; I193-A215 WeakPolarHBondContact O-CB 3.22Å; I193-A215 PolarHBondContact O-N 3.05Å; I194-A215 HydrophobicContact CG1-CB 4.06Å
216	A	98.8	Very high	97.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	165.5	179.3	0	0	0	0	0	111.7	I194 L195 C214 P255 F309 L314	I194-A216 WeakPolarHBondContact CA-O 3.4Å; I194-A216 HydrophobicContact CG1-CB 4.39Å; I194-A216 HydrophobicContact CG2-CB 4.33Å; L195-A216 PolarHBondContact N-O 3.28Å; C214-A216 VanDerWaalsContact C-N 3.29Å; C214-A216 PolarHBondContact O-N 3.49Å; C214-A216 PolarHBondContact SG-O 3.18Å; C214-A216 VanDerWaalsContact SG-O 3.36Å; A216-P255 WeakPolarHBondContact CA-O 3.46Å; A216-F309 HydrophobicContact CB-CE1 3.69Å; A216-F309 HydrophobicContact CB-CZ 3.57Å; A216-L314 HydrophobicContact CB-CD1 3.47Å; A216-L314 VanDerWaalsContact CB-CD1 3.47Å; A216-L314 HydrophobicContact CB-CD2 3.88Å; A216-L314 HydrophobicContact CB-CG 4.3Å
217	V	98.9	Very high	97.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.6	171.3	-174.8	0	0	0	0	109.4	L195 T205 A209 L219 I252 P255 V256 L257	L195-V217 CarbonylContact O-C 3.5Å; L195-V217 WeakPolarHBondContact O-CA 3.33Å; T205-V217 HydrophobicContact CG2-CG1 3.74Å; A209-V217 HydrophobicContact CB-CG2 3.59Å; V217-L219 HydrophobicContact CG1-CD2 3.64Å; V217-L219 HydrophobicContact CG1-CG 3.98Å; V217-I252 HydrophobicContact CG2-CG2 3.93Å; V217-P255 PolarHBondContact N-O 3.18Å; V217-V256 HydrophobicContact CB-CG1 4.27Å; V217-V256 HydrophobicContact CB-CG2 4.22Å; V217-V256 HydrophobicContact CG1-CG1 4.41Å; V217-V256 CarbonylContact O-C 3.55Å; V217-V256 WeakPolarHBondContact O-CA 3.28Å; V217-L257 PolarHBondContact O-N 3.11Å
218	I	98.9	Very high	97.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.8	171.6	-57.8	167	0	0	0	107.8	I194 L195 Y196 G197 L257 I259 L306 F309 I310	I194-I218 HydrophobicContact CG2-CD1 3.72Å; I194-I218 HydrophobicContact CG2-CG1 4.08Å; L195-I218 PolarHBondContact O-N 2.9Å; Y196-I218 WeakPolarHBondContact CA-O 3.41Å; Y196-I218 HydrophobicContact CD2-CB 3.67Å; Y196-I218 HydrophobicContact CD2-CD1 3.73Å; Y196-I218 HydrophobicContact CD2-CG1 4.29Å; Y196-I218 HydrophobicContact CD2-CG2 3.66Å; Y196-I218 HydrophobicContact CE1-CG2 4.47Å; Y196-I218 HydrophobicContact CE2-CB 4.03Å; Y196-I218 HydrophobicContact CE2-CD1 4.14Å; Y196-I218 HydrophobicContact CE2-CG2 3.45Å; Y196-I218 VanDerWaalsContact CE2-CG2 3.45Å; Y196-I218 HydrophobicContact CG-CB 4.07Å; Y196-I218 HydrophobicContact CG-CG2 4.25Å; G197-I218 PolarHBondContact N-O 3.34Å; I218-L257 CarbonylContact C-O 3.55Å; I218-L257 WeakPolarHBondContact CA-O 3.39Å; I218-L257 HydrophobicContact CG1-CB 4.31Å; I218-L257 HydrophobicContact CG1-CD2 4.47Å; I218-L257 HydrophobicContact CG2-CD2 4.45Å; I218-I259 HydrophobicContact CG2-CD1 3.99Å; I218-I259 HydrophobicContact CG2-CG1 4.47Å; I218-L306 HydrophobicContact CD1-CD2 3.78Å; I218-L306 HydrophobicContact CG2-CD2 4.28Å; I218-F309 HydrophobicContact CD1-CD1 4.2Å; I218-F309 HydrophobicContact CD1-CE1 4.3Å; I218-F309 HydrophobicContact CG1-CD1 4.1Å; I218-F309 HydrophobicContact CG1-CE1 3.82Å; I218-I310 HydrophobicContact CD1-CD1 4.41Å
219	L	98.9	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.6	177.7	-57.4	-176.4	0	0	0	109	T202 T205 V206 V217 P222 V256 L257 I258 I259	T202-L219 HydrophobicContact CG2-CB 4.3Å; T202-L219 HydrophobicContact CG2-CD2 4.22Å; T205-L219 HydrophobicContact CG2-CD2 3.76Å; V206-L219 HydrophobicContact CG2-CD1 3.82Å; V206-L219 HydrophobicContact CG2-CD2 3.74Å; V206-L219 HydrophobicContact CG2-CG 4.47Å; V217-L219 HydrophobicContact CG1-CD2 3.64Å; V217-L219 HydrophobicContact CG1-CG 3.98Å; L219-P222 HydrophobicContact CB-CB 4.06Å; L219-P222 HydrophobicContact CB-CG 4.05Å; L219-V256 HydrophobicContact CD1-CG1 4.11Å; L219-V256 HydrophobicContact CG-CG1 4.21Å; L219-L257 PolarHBondContact N-O 2.65Å; L219-I258 HydrophobicContact CB-CG1 4.25Å; L219-I258 HydrophobicContact CD1-CG1 4.39Å; L219-I258 WeakPolarHBondContact O-CA 3.36Å; L219-I259 PolarHBondContact O-N 3.12Å
220	H	98.8	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.8	-178.8	-174.9	-177.5	0	0	0	110.2	Y196 G197 Q198 S199 I259 I296 E297 Y302	Y196-H220 HydrophobicContact CE1-CB 3.65Å; Y196-H220 WeakPolarHBondContact OH-CB 3.32Å; Y196-H220 PolarHBondContact OH-ND1 2.85Å; G197-H220 PolarHBondContact O-N 3.45Å; Q198-H220 CarbonylContact C-O 3.09Å; Q198-H220 WeakPolarHBondContact CA-O 3.43Å; Q198-H220 HydrophobicContact CB-CB 4.39Å; Q198-H220 HydrophobicContact CG-CB 4.45Å; S199-H220 PolarHBondContact N-O 3.09Å; H220-I259 WeakPolarHBondContact CA-O 3.38Å; H220-I296 WeakPolarHBondContact NE2-CB 3.22Å; H220-I296 VanDerWaalsContact NE2-CD1 3.29Å; H220-I296 WeakPolarHBondContact NE2-CD1 3.42Å; H220-I296 VanDerWaalsContact NE2-CG2 3.31Å; H220-I296 WeakPolarHBondContact NE2-CG2 3.15Å; H220-E297 VanDerWaalsContact CE1-CD 3.46Å; H220-E297 IonicContact CE1-OE1 3.6Å; H220-E297 PolarHBondContact CE1-OE1 3.5Å; H220-E297 IonicContact CE1-OE2 3.16Å; H220-E297 IonicContact ND1-OE1 3.72Å; H220-Y302 AromaticContact CE1-CE2 3.79Å; H220-Y302 AromaticContact ND1-CE2 3.97Å
221	S	98.4	Very high	95.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.156	C	C	.	.	S	Bend	trans	46.4	53.6	-173.3	-55.4	0	0	0	0	112.7	S199 I259 I296	S199-S221 WeakPolarHBondContact CA-O 3.49Å; S221-I259 PolarHBondContact N-O 2.73Å; S221-I296 VanDerWaalsContact OG-CD1 3.25Å; S221-I296 WeakPolarHBondContact OG-CD1 3.23Å
222	P	98.5	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.			trans	-72.4	149.3	-173.1	32	-37.9	0	0	0	112.9	T202 L219 I258 I267 H271 L275	T202-P222 HydrophobicContact CG2-CB 3.74Å; L219-P222 HydrophobicContact CB-CB 4.06Å; L219-P222 HydrophobicContact CB-CG 4.05Å; P222-I258 HydrophobicContact CG-CG2 4.01Å; P222-I267 WeakPolarHBondContact O-CG2 3.23Å; P222-H271 WeakPolarHBondContact O-CB 3.22Å; P222-L275 HydrophobicContact CB-CD1 3.5Å; P222-L275 HydrophobicContact CG-CD1 3.72Å
223	L	97.1	Very high	95	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.058	18%	0.182	C	C	.	.			trans	-95.9	146.8	166.5	68.7	170.1	0	0	0	111.8	T202 V203 V229 F243 N245 I267	T202-L223 WeakPolarHBondContact OG1-CD2 3.29Å; V203-L223 HydrophobicContact CG2-CD1 4.42Å; V203-L223 HydrophobicContact CG2-CD2 3.62Å; V203-L223 HydrophobicContact CG2-CG 4.27Å; L223-V229 HydrophobicContact CB-CG2 3.7Å; L223-V229 HydrophobicContact CD1-CG2 4.04Å; L223-F243 HydrophobicContact CD1-CB 4.45Å; L223-F243 HydrophobicContact CD1-CD2 4.22Å; L223-N245 WeakPolarHBondContact O-CB 3.38Å; L223-N245 PolarHBondContact O-ND2 3.19Å; L223-I267 HydrophobicContact CB-CD1 4.25Å; L223-I267 HydrophobicContact CB-CG2 4.1Å
224	T	97.3	Very high	94.6	Very high	6 Å²	6	27 Å²	27	4%	0.037	16%	0.161	C	C	.	.	S	Bend	trans	-81.3	-42.5	175.2	56.3	0	0	0	0	111.6	R228 P244 N245 I246 H271 A274 L275	T224-R228 WeakPolarHBondContact OG1-CB 3.21Å; T224-R228 WeakPolarHBondContact OG1-CD 3.33Å; T224-P244 CarbonylContact O-C 3.58Å; T224-N245 PolarHBondContact O-N 3.48Å; T224-I246 HydrophobicContact CG2-CD1 3.98Å; T224-I246 PolarHBondContact O-N 3.41Å; T224-H271 HydrophobicContact CG2-CB 3.94Å; T224-H271 WeakPolarHBondContact CG2-O 3.45Å; T224-H271 PolarHBondContact N-ND1 2.86Å; T224-H271 PolarHBondContact OG1-CE1 3.06Å; T224-H271 VanDerWaalsContact OG1-CE1 3.26Å; T224-H271 PolarHBondContact OG1-ND1 3.39Å; T224-A274 HydrophobicContact CG2-CB 3.98Å; T224-L275 HydrophobicContact CG2-CD2 4.2Å; T224-L275 HydrophobicContact CG2-CG 3.94Å
225	S	96.1	Very high	94.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.			trans	-165.8	162.3	166.9	72.7	0	0	0	0	111.7	M227 R228 V229 D241 F243	S225-M227 PolarHBondContact O-N 3.02Å; S225-R228 PolarHBondContact O-N 2.66Å; S225-R228 WeakPolarHBondContact OG-CG 3.48Å; S225-R228 PolarHBondContact OG-N 3.49Å; S225-R228 PolarHBondContact OG-NH1 2.76Å; S225-V229 WeakPolarHBondContact O-CG2 3.49Å; S225-V229 PolarHBondContact O-N 2.91Å; S225-V229 VanDerWaalsContact O-N 3.12Å; S225-D241 WeakPolarHBondContact CB-OD1 3.35Å; S225-D241 WeakPolarHBondContact CB-OD2 3.02Å; S225-D241 VanDerWaalsContact OG-CG 3.29Å; S225-D241 PolarHBondContact OG-OD1 3.23Å; S225-D241 PolarHBondContact OG-OD2 3.09Å; S225-F243 WeakPolarHBondContact CA-O 3.37Å
226	G	91.1	Very high	93.8	Very high	17 Å²	17	41 Å²	41	18%	0.175	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-37.3	179.1	0	0	0	0	0	113.2	R228 V229 A230 V242	G226-R228 VanDerWaalsContact C-N 3.31Å; G226-R228 PolarHBondContact O-N 2.77Å; G226-V229 PolarHBondContact O-N 2.85Å; G226-A230 PolarHBondContact O-N 3.26Å; G226-V242 PolarHBondContact N-O 3.21Å
227	M	90.3	Very high	93.5	Very high	40 Å²	40	43.2 Å²	43.2	20%	0.197	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-36.1	173.8	-76.2	-69.7	-60.8	0	0	112.2	S225 V229 A230 F231 T234 F240 D241	S225-M227 PolarHBondContact O-N 3.02Å; M227-V229 VanDerWaalsContact C-N 3.33Å; M227-A230 PolarHBondContact O-N 3.24Å; M227-F231 HydrophobicContact CE-CD2 3.58Å; M227-F231 HydrophobicContact CE-CE2 3.97Å; M227-F231 CarbonylContact O-C 3.46Å; M227-F231 WeakPolarHBondContact O-CA 3.16Å; M227-F231 WeakPolarHBondContact O-CB 3.32Å; M227-F231 PolarHBondContact O-N 2.91Å; M227-F231 HydrophobicContact SD-CD2 4.07Å; M227-F231 HydrophobicContact SD-CE2 4.18Å; M227-T234 HydrophobicContact CB-CG2 4.22Å; M227-F240 HydrophobicContact CE-CE2 4.02Å; M227-F240 HydrophobicContact SD-CD2 4.3Å; M227-F240 HydrophobicContact SD-CE2 4.06Å; M227-D241 HydrophobicContact CB-CB 4.38Å; M227-D241 WeakPolarHBondContact CB-OD1 3.44Å; M227-D241 HydrophobicContact CG-CB 3.89Å; M227-D241 VanDerWaalsContact CG-OD1 3.24Å; M227-D241 WeakPolarHBondContact CG-OD1 3.45Å; M227-D241 PolarHBondContact N-OD1 3.06Å
228	R	93.9	Very high	92.9	Very high	23 Å²	23	48.4 Å²	48.4	9%	0.087	25%	0.252	C	S	.	.	H	α-helix	trans	-71.9	-29.9	178.8	-75	173.8	179.5	91.4	-8	112.3	T224 S225 G226 F231 P232 T234 K235 K236 T237 D241	T224-R228 WeakPolarHBondContact OG1-CB 3.21Å; T224-R228 WeakPolarHBondContact OG1-CD 3.33Å; S225-R228 PolarHBondContact O-N 2.66Å; S225-R228 WeakPolarHBondContact OG-CG 3.48Å; S225-R228 PolarHBondContact OG-N 3.49Å; S225-R228 PolarHBondContact OG-NH1 2.76Å; G226-R228 VanDerWaalsContact C-N 3.31Å; G226-R228 PolarHBondContact O-N 2.77Å; R228-F231 CarbonylContact O-C 3.54Å; R228-P232 VanDerWaalsContact O-CA 3.26Å; R228-P232 WeakPolarHBondContact O-CA 3.26Å; R228-T234 HydrophobicContact CG-CG2 4.07Å; R228-T234 WeakPolarHBondContact CG-O 3.29Å; R228-T234 PolarHBondContact NE-O 2.77Å; R228-K235 PolarHBondContact NH2-O 2.96Å; R228-K236 VanDerWaalsContact NH2-C 3.28Å; R228-T237 PolarHBondContact NH1-OG1 3.18Å; R228-T237 VanDerWaalsContact NH1-OG1 3.1Å; R228-T237 PolarHBondContact NH2-OG1 2.81Å; R228-T237 VanDerWaalsContact NH2-OG1 3.17Å; R228-D241 IonicContact NH1-OD2 3.47Å; R228-D241 PolarHBondContact NH1-OD2 2.64Å
229	V	90.1	Very high	92.2	Very high	50 Å²	50	54.9 Å²	54.9	30%	0.303	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-48.5	170.7	174.6	0	0	0	0	110.6	L223 S225 G226 M227 I267	L223-V229 HydrophobicContact CB-CG2 3.7Å; L223-V229 HydrophobicContact CD1-CG2 4.04Å; S225-V229 WeakPolarHBondContact O-CG2 3.49Å; S225-V229 PolarHBondContact O-N 2.91Å; S225-V229 VanDerWaalsContact O-N 3.12Å; G226-V229 PolarHBondContact O-N 2.85Å; M227-V229 VanDerWaalsContact C-N 3.33Å; V229-I267 HydrophobicContact CB-CD1 4.31Å; V229-I267 HydrophobicContact CG1-CD1 3.72Å; V229-I267 HydrophobicContact CG2-CD1 3.53Å
230	A	87	Confident	91.5	Very high	65 Å²	65	59.5 Å²	59.5	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-73	-30.2	-178.6	0	0	0	0	0	113.5	G226 M227	G226-A230 PolarHBondContact O-N 3.26Å; M227-A230 PolarHBondContact O-N 3.24Å
231	F	89.4	Confident	90.9	Very high	90 Å²	90	60.1 Å²	60.1	40%	0.395	32%	0.319	S	S	.	.			trans	-140.1	85.4	-175.6	-53.2	-76.1	0	0	0	109.7	L12 M227 R228 D233 T234	L12-F231 HydrophobicContact CD2-CZ 4.16Å; M227-F231 HydrophobicContact CE-CD2 3.58Å; M227-F231 HydrophobicContact CE-CE2 3.97Å; M227-F231 CarbonylContact O-C 3.46Å; M227-F231 WeakPolarHBondContact O-CA 3.16Å; M227-F231 WeakPolarHBondContact O-CB 3.32Å; M227-F231 PolarHBondContact O-N 2.91Å; M227-F231 HydrophobicContact SD-CD2 4.07Å; M227-F231 HydrophobicContact SD-CE2 4.18Å; R228-F231 CarbonylContact O-C 3.54Å; F231-D233 PolarHBondContact O-N 3Å; F231-T234 WeakPolarHBondContact CB-OG1 3.45Å; F231-T234 VanDerWaalsContact O-CB 3.22Å; F231-T234 WeakPolarHBondContact O-CB 3.2Å; F231-T234 PolarHBondContact O-N 2.85Å; F231-T234 PolarHBondContact O-OG1 3.42Å
232	P	87.9	Confident	90.5	Very high	90 Å²	90	61 Å²	61	58%	0.584	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.4	-173	-30.2	37	0	0	0	115.4	R228 T234	R228-P232 VanDerWaalsContact O-CA 3.26Å; R228-P232 WeakPolarHBondContact O-CA 3.26Å; P232-T234 PolarHBondContact O-N 2.54Å
233	D	88.9	Confident	90.3	Very high	134 Å²	134	61.2 Å²	61.2	72%	0.717	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.7	178	-69.3	-45.1	0	0	0	114.5	F231 K235	F231-D233 PolarHBondContact O-N 3Å; D233-K235 WeakPolarHBondContact O-CD 3.24Å; D233-K235 WeakPolarHBondContact O-CE 3.2Å; D233-K235 WeakPolarHBondContact O-CG 3.2Å; D233-K235 PolarHBondContact O-N 3.35Å
234	T	89.3	Confident	90.1	Very high	19 Å²	19	61.9 Å²	61.9	12%	0.117	33%	0.33	C	S	.	.			trans	-64.2	103.2	179.6	-63	0	0	0	0	111.7	M227 R228 F231 P232 K236 Y238	M227-T234 HydrophobicContact CB-CG2 4.22Å; R228-T234 HydrophobicContact CG-CG2 4.07Å; R228-T234 WeakPolarHBondContact CG-O 3.29Å; R228-T234 PolarHBondContact NE-O 2.77Å; F231-T234 WeakPolarHBondContact CB-OG1 3.45Å; F231-T234 VanDerWaalsContact O-CB 3.22Å; F231-T234 WeakPolarHBondContact O-CB 3.2Å; F231-T234 PolarHBondContact O-N 2.85Å; F231-T234 PolarHBondContact O-OG1 3.42Å; P232-T234 PolarHBondContact O-N 2.54Å; T234-K236 WeakPolarHBondContact CG2-O 3.47Å; T234-Y238 HydrophobicContact CG2-CD2 4.33Å; T234-Y238 HydrophobicContact CG2-CE2 4.04Å
235	K	89.6	Confident	90.2	Very high	165 Å²	165	61.6 Å²	61.6	72%	0.717	33%	0.329	S	S	*	.			trans	-86.1	-26.6	-179	-53.6	-51.2	176.6	-169.6	0	114.2	R228 D233	R228-K235 PolarHBondContact NH2-O 2.96Å; D233-K235 WeakPolarHBondContact O-CD 3.24Å; D233-K235 WeakPolarHBondContact O-CE 3.2Å; D233-K235 WeakPolarHBondContact O-CG 3.2Å; D233-K235 PolarHBondContact O-N 3.35Å
236	K	90.6	Very high	90.2	Very high	150 Å²	150	61.9 Å²	61.9	65%	0.652	33%	0.33	S	S	*	.	S	Bend	trans	-112.5	150.1	-177	-64.2	-178.4	-179.1	177.9	0	111.2	R228 T234	R228-K236 VanDerWaalsContact NH2-C 3.28Å; T234-K236 WeakPolarHBondContact CG2-O 3.47Å
237	T	91.6	Very high	90.5	Very high	45 Å²	45	65.5 Å²	65.5	28%	0.276	34%	0.342	S	S	.	.			trans	-88.8	118.7	172.6	-54.2	0	0	0	0	109.2	R228 D241 P244 E247	R228-T237 PolarHBondContact NH1-OG1 3.18Å; R228-T237 VanDerWaalsContact NH1-OG1 3.1Å; R228-T237 PolarHBondContact NH2-OG1 2.81Å; R228-T237 VanDerWaalsContact NH2-OG1 3.17Å; T237-D241 HydrophobicContact CG2-CB 4.17Å; T237-P244 HydrophobicContact CG2-CB 3.76Å; T237-E247 WeakPolarHBondContact CB-OE1 3.33Å; T237-E247 HydrophobicContact CG2-CG 3.81Å; T237-E247 PolarHBondContact OG1-OE1 2.99Å
238	Y	86.3	Confident	90.8	Very high	110 Å²	110	65 Å²	65	43%	0.431	34%	0.339	S	S	.	.			trans	-93.7	159.5	-179.2	-62.3	-77.9	0	0	0	111.2	T234 F240 D241	T234-Y238 HydrophobicContact CG2-CD2 4.33Å; T234-Y238 HydrophobicContact CG2-CE2 4.04Å; Y238-F240 HydrophobicContact CD1-CE1 4.43Å; Y238-F240 HydrophobicContact CD1-CZ 4.21Å; Y238-F240 HydrophobicContact CD2-CE2 4.38Å; Y238-F240 HydrophobicContact CD2-CZ 4.19Å; Y238-F240 HydrophobicContact CG-CE1 4.19Å; Y238-F240 HydrophobicContact CG-CE2 4.22Å; Y238-F240 AromaticContact CG-CZ 3.73Å; Y238-F240 HydrophobicContact CG-CZ 3.73Å; Y238-F240 PolarHBondContact O-N 2.81Å; Y238-F240 VanDerWaalsContact O-N 3.11Å; Y238-D241 WeakPolarHBondContact O-CB 3.19Å; Y238-D241 PolarHBondContact O-N 3.41Å
239	C	84.9	Confident	91	Very high	136 Å²	136	63.9 Å²	63.9	92%	0.919	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.1	-179.1	61.8	0	0	0	0	114.6
240	F	84	Confident	91.4	Very high	98 Å²	98	64.7 Å²	64.7	43%	0.43	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.9	175.5	53.6	-99.4	0	0	0	112.8	P19 M227 Y238	P19-F240 HydrophobicContact CB-CB 4.26Å; P19-F240 HydrophobicContact CG-CB 4.18Å; M227-F240 HydrophobicContact CE-CE2 4.02Å; M227-F240 HydrophobicContact SD-CD2 4.3Å; M227-F240 HydrophobicContact SD-CE2 4.06Å; Y238-F240 HydrophobicContact CD1-CE1 4.43Å; Y238-F240 HydrophobicContact CD1-CZ 4.21Å; Y238-F240 HydrophobicContact CD2-CE2 4.38Å; Y238-F240 HydrophobicContact CD2-CZ 4.19Å; Y238-F240 HydrophobicContact CG-CE1 4.19Å; Y238-F240 HydrophobicContact CG-CE2 4.22Å; Y238-F240 AromaticContact CG-CZ 3.73Å; Y238-F240 HydrophobicContact CG-CZ 3.73Å; Y238-F240 PolarHBondContact O-N 2.81Å; Y238-F240 VanDerWaalsContact O-N 3.11Å
241	D	87.3	Confident	92	Very high	12 Å²	12	67.5 Å²	67.5	6%	0.064	34%	0.343	C	S	.	.			trans	-70.1	128.2	173.2	-163.7	-1.4	0	0	0	109.3	S225 M227 R228 T237 Y238	S225-D241 WeakPolarHBondContact CB-OD1 3.35Å; S225-D241 WeakPolarHBondContact CB-OD2 3.02Å; S225-D241 VanDerWaalsContact OG-CG 3.29Å; S225-D241 PolarHBondContact OG-OD1 3.23Å; S225-D241 PolarHBondContact OG-OD2 3.09Å; M227-D241 HydrophobicContact CB-CB 4.38Å; M227-D241 WeakPolarHBondContact CB-OD1 3.44Å; M227-D241 HydrophobicContact CG-CB 3.89Å; M227-D241 VanDerWaalsContact CG-OD1 3.24Å; M227-D241 WeakPolarHBondContact CG-OD1 3.45Å; M227-D241 PolarHBondContact N-OD1 3.06Å; R228-D241 IonicContact NH1-OD2 3.47Å; R228-D241 PolarHBondContact NH1-OD2 2.64Å; T237-D241 HydrophobicContact CG2-CB 4.17Å; Y238-D241 WeakPolarHBondContact O-CB 3.19Å; Y238-D241 PolarHBondContact O-N 3.41Å
242	V	89.9	Confident	92.4	Very high	20 Å²	20	63.2 Å²	63.2	12%	0.121	32%	0.324	C	S	.	.	S	Bend	trans	-92.4	146.8	178.5	-63.2	0	0	0	0	109.1	G226	G226-V242 PolarHBondContact N-O 3.21Å
243	F	93.1	Very high	92.9	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.022	32%	0.316	C	S	.	.			trans	58.8	47.6	174.7	-41.6	-42.8	0	0	0	114.8	A27 F28 E168 L171 I200 V203 L223 S225 N245	A27-F243 HydrophobicContact CB-CE2 3.81Å; A27-F243 HydrophobicContact CB-CZ 4.26Å; F28-F243 HydrophobicContact CE1-CZ 4.38Å; F28-F243 HydrophobicContact CE2-CE1 4.28Å; F28-F243 AromaticContact CE2-CZ 3.74Å; F28-F243 HydrophobicContact CE2-CZ 3.74Å; F28-F243 AromaticContact CZ-CE1 3.88Å; F28-F243 HydrophobicContact CZ-CE1 3.88Å; F28-F243 AromaticContact CZ-CZ 3.54Å; F28-F243 HydrophobicContact CZ-CZ 3.54Å; E168-F243 HydrophobicContact CB-CD1 4.04Å; E168-F243 HydrophobicContact CB-CE1 3.58Å; E168-F243 HydrophobicContact CG-CD1 3.65Å; E168-F243 HydrophobicContact CG-CE1 3.73Å; E168-F243 VanDerWaalsContact OE1-CA 3.29Å; E168-F243 WeakPolarHBondContact OE1-CA 3.41Å; E168-F243 PolarHBondContact OE1-N 3.13Å; L171-F243 HydrophobicContact CD2-CE1 4.35Å; I200-F243 HydrophobicContact CD1-CE2 4.21Å; I200-F243 HydrophobicContact CD1-CZ 4.31Å; V203-F243 HydrophobicContact CB-CB 4.3Å; V203-F243 HydrophobicContact CB-CD1 4.42Å; V203-F243 HydrophobicContact CB-CG 4.44Å; V203-F243 HydrophobicContact CG1-CB 3.69Å; V203-F243 HydrophobicContact CG1-CD1 3.49Å; V203-F243 VanDerWaalsContact CG1-CD1 3.49Å; V203-F243 HydrophobicContact CG1-CE1 4.32Å; V203-F243 HydrophobicContact CG1-CG 3.81Å; V203-F243 HydrophobicContact CG2-CB 3.6Å; V203-F243 HydrophobicContact CG2-CD1 4.28Å; V203-F243 HydrophobicContact CG2-CD2 4.33Å; V203-F243 HydrophobicContact CG2-CG 3.84Å; L223-F243 HydrophobicContact CD1-CB 4.45Å; L223-F243 HydrophobicContact CD1-CD2 4.22Å; S225-F243 WeakPolarHBondContact CA-O 3.37Å; F243-N245 PolarHBondContact O-N 3.12Å
244	P	94.5	Very high	93.3	Very high	24 Å²	24	55.8 Å²	55.8	16%	0.156	28%	0.282	C	S	.	.			trans	-74	65.6	-175.2	34.2	-38.3	0	0	0	112.5	T224 T237 I246 E247	T224-P244 CarbonylContact O-C 3.58Å; T237-P244 HydrophobicContact CG2-CB 3.76Å; P244-I246 PolarHBondContact O-N 3.07Å; P244-E247 HydrophobicContact CB-CB 4.47Å; P244-E247 HydrophobicContact CB-CG 4.02Å; P244-E247 PolarHBondContact O-N 3.21Å
245	N	97.6	Very high	93.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-54.2	-35.8	177	-75.6	-16.8	0	0	0	111.5	V203 V206 L223 T224 F243 E247 K248 V249 L275	V203-N245 WeakPolarHBondContact CA-OD1 3.19Å; V206-N245 HydrophobicContact CB-CB 4.47Å; V206-N245 HydrophobicContact CG1-CB 4.13Å; V206-N245 HydrophobicContact CG2-CB 4.49Å; L223-N245 WeakPolarHBondContact O-CB 3.38Å; L223-N245 PolarHBondContact O-ND2 3.19Å; T224-N245 PolarHBondContact O-N 3.48Å; F243-N245 PolarHBondContact O-N 3.12Å; N245-E247 PolarHBondContact O-N 3.26Å; N245-E247 VanDerWaalsContact O-N 3.14Å; N245-K248 PolarHBondContact O-N 3.01Å; N245-V249 WeakPolarHBondContact O-CB 3.35Å; N245-V249 PolarHBondContact O-N 3.35Å; N245-L275 HydrophobicContact CB-CD2 4.38Å
246	I	97.1	Very high	94.2	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.6	-25.9	179	-160.6	67.7	0	0	0	114	T224 P244 A274 L275	T224-I246 HydrophobicContact CG2-CD1 3.98Å; T224-I246 PolarHBondContact O-N 3.41Å; P244-I246 PolarHBondContact O-N 3.07Å; I246-A274 HydrophobicContact CD1-CB 4.41Å; I246-L275 HydrophobicContact CD1-CD2 3.82Å
247	E	96.6	Very high	94.6	Very high	93 Å²	93	40.6 Å²	40.6	44%	0.435	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-87.4	-11.4	177.3	-58.7	-59.1	148.5	0	0	113.1	T237 P244 N245	T237-E247 WeakPolarHBondContact CB-OE1 3.33Å; T237-E247 HydrophobicContact CG2-CG 3.81Å; T237-E247 PolarHBondContact OG1-OE1 2.99Å; P244-E247 HydrophobicContact CB-CB 4.47Å; P244-E247 HydrophobicContact CB-CG 4.02Å; P244-E247 PolarHBondContact O-N 3.21Å; N245-E247 PolarHBondContact O-N 3.26Å; N245-E247 VanDerWaalsContact O-N 3.14Å
248	K	98.1	Very high	95	Very high	30 Å²	30	38.4 Å²	38.4	13%	0.13	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-31.4	-172.9	-60.9	-177.6	-172.1	-176.6	0	112.5	Y172 V206 D207 N245 S250 K251	Y172-K248 PolarHBondContact OH-NZ 3.11Å; V206-K248 HydrophobicContact CG1-CB 3.75Å; D207-K248 HydrophobicContact CB-CD 4.36Å; D207-K248 IonicContact OD1-NZ 2.81Å; D207-K248 PolarHBondContact OD1-NZ 2.99Å; N245-K248 PolarHBondContact O-N 3.01Å; K248-S250 VanDerWaalsContact C-N 3.26Å; K248-S250 PolarHBondContact O-N 3.37Å; K248-K251 VanDerWaalsContact O-CB 3.31Å; K248-K251 WeakPolarHBondContact O-CB 3.2Å; K248-K251 PolarHBondContact O-N 2.91Å
249	V	98.3	Very high	95.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-59	-33.9	-170.3	76.4	0	0	0	0	113.6	V206 N245 K251 I252 L275 R278 C279	V206-V249 HydrophobicContact CG1-CB 4.45Å; N245-V249 WeakPolarHBondContact O-CB 3.35Å; N245-V249 PolarHBondContact O-N 3.35Å; V249-K251 PolarHBondContact O-N 2.97Å; V249-K251 VanDerWaalsContact O-N 3.12Å; V249-I252 HydrophobicContact CG2-CD1 4.06Å; V249-I252 WeakPolarHBondContact O-CB 3.36Å; V249-I252 WeakPolarHBondContact O-CG1 3.36Å; V249-I252 PolarHBondContact O-N 2.67Å; V249-I252 VanDerWaalsContact O-N 3.11Å; V249-L275 HydrophobicContact CB-CD2 3.95Å; V249-L275 HydrophobicContact CG1-CD2 3.8Å; V249-L275 HydrophobicContact CG2-CB 4.5Å; V249-L275 HydrophobicContact CG2-CD2 4.14Å; V249-R278 HydrophobicContact CG1-CB 3.74Å; V249-C279 WeakPolarHBondContact CG2-SG 3.37Å
250	S	98.1	Very high	96.2	Very high	66 Å²	66	26.7 Å²	26.7	46%	0.462	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-67.6	-11.1	178.3	58.1	0	0	0	0	114.2	K248 R278 P280	K248-S250 VanDerWaalsContact C-N 3.26Å; K248-S250 PolarHBondContact O-N 3.37Å; S250-R278 WeakPolarHBondContact CA-O 3.46Å; S250-P280 VanDerWaalsContact O-CG 3.23Å; S250-P280 WeakPolarHBondContact O-CG 3.47Å
251	K	98.6	Very high	96.9	Very high	124 Å²	124	22 Å²	22	54%	0.539	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-91.9	-8.2	177.2	-56.9	172.8	-176.2	170.6	0	112.7	K248 V249 T253	K248-K251 VanDerWaalsContact O-CB 3.31Å; K248-K251 WeakPolarHBondContact O-CB 3.2Å; K248-K251 PolarHBondContact O-N 2.91Å; V249-K251 PolarHBondContact O-N 2.97Å; V249-K251 VanDerWaalsContact O-N 3.12Å; K251-T253 PolarHBondContact O-N 3.38Å
252	I	98.6	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.			trans	-72.4	119.3	179.5	-59.1	176.2	0	0	0	108.6	V206 A209 V217 V249 V256	V206-I252 HydrophobicContact CG1-CD1 4.29Å; V206-I252 HydrophobicContact CG2-CD1 4.36Å; A209-I252 HydrophobicContact CB-CD1 3.87Å; A209-I252 HydrophobicContact CB-CG1 3.85Å; A209-I252 HydrophobicContact CB-CG2 4.12Å; V217-I252 HydrophobicContact CG2-CG2 3.93Å; V249-I252 HydrophobicContact CG2-CD1 4.06Å; V249-I252 WeakPolarHBondContact O-CB 3.36Å; V249-I252 WeakPolarHBondContact O-CG1 3.36Å; V249-I252 PolarHBondContact O-N 2.67Å; V249-I252 VanDerWaalsContact O-N 3.11Å; I252-V256 HydrophobicContact CB-CG2 4.28Å; I252-V256 HydrophobicContact CG2-CG2 3.58Å
253	T	97.9	Very high	97.8	Very high	68 Å²	68	27.8 Å²	27.8	42%	0.417	15%	0.146	S	C	.	.			trans	-100.1	-5	-179.9	56.6	0	0	0	0	113.5	K251 K281	K251-T253 PolarHBondContact O-N 3.38Å; T253-K281 WeakPolarHBondContact O-CD 3.38Å; T253-K281 WeakPolarHBondContact O-CE 3.33Å; T253-K281 PolarHBondContact O-NZ 3.12Å
254	S	98.5	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-83.7	157.7	172.3	-65.8	0	0	0	0	111.7	C214 V256	C214-S254 PolarHBondContact N-OG 3.29Å; C214-S254 WeakPolarHBondContact O-CB 3.47Å; C214-S254 PolarHBondContact O-OG 3.23Å; C214-S254 PolarHBondContact SG-OG 3.07Å; S254-V256 WeakPolarHBondContact O-CG2 3.36Å; S254-V256 PolarHBondContact O-N 3.05Å
255	P	98.5	Very high	97.9	Very high	15 Å²	15	35.1 Å²	35.1	10%	0.097	18%	0.178	C	C	.	.			trans	-55.4	133.1	168.3	-23.3	34	0	0	0	111.4	A216 V217 K281 V283 F309 L314	A216-P255 WeakPolarHBondContact CA-O 3.46Å; V217-P255 PolarHBondContact N-O 3.18Å; P255-K281 WeakPolarHBondContact CA-O 3.44Å; P255-V283 HydrophobicContact CB-CG1 4.11Å; P255-F309 HydrophobicContact CB-CE2 4.22Å; P255-F309 HydrophobicContact CB-CZ 4.15Å; P255-L314 HydrophobicContact CB-CD2 4.16Å; P255-L314 HydrophobicContact CG-CD2 4.07Å
256	V	98.8	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.5	-177.5	-170.5	0	0	0	0	110.9	V217 L219 I252 S254 I258 K281 A282 V283	V217-V256 HydrophobicContact CB-CG1 4.27Å; V217-V256 HydrophobicContact CB-CG2 4.22Å; V217-V256 HydrophobicContact CG1-CG1 4.41Å; V217-V256 CarbonylContact O-C 3.55Å; V217-V256 WeakPolarHBondContact O-CA 3.28Å; L219-V256 HydrophobicContact CD1-CG1 4.11Å; L219-V256 HydrophobicContact CG-CG1 4.21Å; I252-V256 HydrophobicContact CB-CG2 4.28Å; I252-V256 HydrophobicContact CG2-CG2 3.58Å; S254-V256 WeakPolarHBondContact O-CG2 3.36Å; S254-V256 PolarHBondContact O-N 3.05Å; V256-I258 HydrophobicContact CG1-CG1 4.15Å; V256-K281 PolarHBondContact N-O 3.06Å; V256-A282 WeakPolarHBondContact O-CA 3.47Å; V256-V283 WeakPolarHBondContact O-CG2 3.38Å; V256-V283 PolarHBondContact O-N 3.4Å
257	L	98.9	Very high	97.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.1	167.6	173.5	61.2	0	0	0	109.3	V217 I218 L219 I259 V283 E284 R305 L306 F309	V217-L257 PolarHBondContact O-N 3.11Å; I218-L257 CarbonylContact C-O 3.55Å; I218-L257 WeakPolarHBondContact CA-O 3.39Å; I218-L257 HydrophobicContact CG1-CB 4.31Å; I218-L257 HydrophobicContact CG1-CD2 4.47Å; I218-L257 HydrophobicContact CG2-CD2 4.45Å; L219-L257 PolarHBondContact N-O 2.65Å; L257-I259 HydrophobicContact CD2-CD1 4.13Å; L257-I259 HydrophobicContact CD2-CG1 4.22Å; L257-I259 HydrophobicContact CG-CD1 4.47Å; L257-I259 HydrophobicContact CG-CG1 4.05Å; L257-V283 HydrophobicContact CB-CG2 3.84Å; L257-V283 HydrophobicContact CD1-CG2 4.14Å; L257-E284 VanDerWaalsContact CD1-O 3.28Å; L257-E284 WeakPolarHBondContact CD1-O 3.32Å; L257-R305 HydrophobicContact CD1-CG 4.05Å; L257-R305 HydrophobicContact CD2-CG 4.03Å; L257-L306 HydrophobicContact CD2-CD2 4.07Å; L257-F309 HydrophobicContact CB-CD1 3.84Å; L257-F309 HydrophobicContact CB-CE1 3.66Å; L257-F309 HydrophobicContact CB-CG 4.34Å; L257-F309 HydrophobicContact CB-CZ 4.03Å; L257-F309 HydrophobicContact CD2-CB 4.06Å; L257-F309 HydrophobicContact CD2-CD1 3.69Å; L257-F309 HydrophobicContact CD2-CE1 4.36Å; L257-F309 HydrophobicContact CD2-CG 4.01Å; L257-F309 HydrophobicContact CG-CD1 4.41Å
258	I	98.9	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.9	172.2	-60	169.2	0	0	0	108.5	L219 P222 V256 L275 Y276 P285 L286 W287	L219-I258 HydrophobicContact CB-CG1 4.25Å; L219-I258 HydrophobicContact CD1-CG1 4.39Å; L219-I258 WeakPolarHBondContact O-CA 3.36Å; P222-I258 HydrophobicContact CG-CG2 4.01Å; V256-I258 HydrophobicContact CG1-CG1 4.15Å; I258-L275 HydrophobicContact CD1-CB 4.1Å; I258-Y276 HydrophobicContact CD1-CD2 4.31Å; I258-Y276 HydrophobicContact CD1-CG 4.47Å; I258-P285 WeakPolarHBondContact O-CA 3.14Å; I258-L286 PolarHBondContact O-N 2.81Å; I258-W287 HydrophobicContact CB-CH2 4.11Å; I258-W287 HydrophobicContact CB-CZ3 4.28Å; I258-W287 HydrophobicContact CG2-CH2 3.76Å; I258-W287 HydrophobicContact CG2-CZ3 3.65Å
259	I	98.9	Very high	97.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.8	177.9	-52.3	179.1	0	0	0	107.6	I218 L219 H220 S221 L257 L286 I296 Y302 L306	I218-I259 HydrophobicContact CG2-CD1 3.99Å; I218-I259 HydrophobicContact CG2-CG1 4.47Å; L219-I259 PolarHBondContact O-N 3.12Å; H220-I259 WeakPolarHBondContact CA-O 3.38Å; S221-I259 PolarHBondContact N-O 2.73Å; L257-I259 HydrophobicContact CD2-CD1 4.13Å; L257-I259 HydrophobicContact CD2-CG1 4.22Å; L257-I259 HydrophobicContact CG-CD1 4.47Å; L257-I259 HydrophobicContact CG-CG1 4.05Å; I259-L286 CarbonylContact C-O 3.56Å; I259-L286 VanDerWaalsContact CA-O 3.3Å; I259-L286 WeakPolarHBondContact CA-O 3.44Å; I259-L286 HydrophobicContact CG1-CB 4.3Å; I259-L286 HydrophobicContact CG2-CB 4.31Å; I259-L286 HydrophobicContact CG2-CD2 3.92Å; I259-L286 HydrophobicContact CG2-CG 4.2Å; I259-I296 HydrophobicContact CG2-CG2 3.8Å; I259-Y302 HydrophobicContact CD1-CD2 4.08Å; I259-Y302 HydrophobicContact CD1-CE2 3.93Å; I259-Y302 HydrophobicContact CG2-CD2 4.24Å; I259-L306 HydrophobicContact CD1-CD2 3.9Å; I259-L306 HydrophobicContact CD1-CG 4.3Å
260	H	98.8	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	142	179.8	-142.7	124.5	0	0	0	110.9	D264 I267 F269 G272 L286 W287 V288	H260-D264 IonicContact CD2-OD2 3.41Å; H260-D264 IonicContact NE2-OD2 2.73Å; H260-D264 PolarHBondContact NE2-OD2 3.17Å; H260-D264 VanDerWaalsContact NE2-OD2 3.16Å; H260-I267 PolarHBondContact CE1-O 3.19Å; H260-I267 PolarHBondContact NE2-O 2.83Å; H260-F269 HydrophobicContact CB-CD2 4.17Å; H260-F269 HydrophobicContact CB-CE2 4.49Å; H260-G272 WeakPolarHBondContact ND1-CA 3.45Å; H260-G272 PolarHBondContact ND1-N 3.2Å; H260-L286 PolarHBondContact N-O 2.84Å; H260-W287 HydrophobicContact CB-CE3 3.8Å; H260-W287 HydrophobicContact CB-CZ3 3.74Å; H260-W287 CarbonylContact O-C 3.54Å; H260-W287 WeakPolarHBondContact O-CA 3.35Å; H260-V288 PolarHBondContact O-N 2.84Å
261	G	98.6	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	143.6	170.2	0	0	0	0	0	111.6	E263 V288 A291 I296	G261-E263 VanDerWaalsContact C-N 3.31Å; G261-V288 WeakPolarHBondContact CA-O 3.23Å; G261-A291 CarbonylContact C-O 3.51Å; G261-A291 VanDerWaalsContact C-O 3.29Å; G261-A291 WeakPolarHBondContact CA-O 3.34Å; G261-I296 VanDerWaalsContact N-CD1 3.29Å
262	T	98.4	Very high	97.4	Very high	36 Å²	36	34.1 Å²	34.1	22%	0.221	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.4	-179.5	60.9	0	0	0	0	113.2	F269 W287 V288 E289 G290 A291	T262-F269 HydrophobicContact CG2-CD2 4.46Å; T262-F269 HydrophobicContact CG2-CE2 4.4Å; T262-W287 HydrophobicContact CG2-CB 4.37Å; T262-V288 PolarHBondContact N-O 2.95Å; T262-E289 WeakPolarHBondContact OG1-CA 3.2Å; T262-E289 PolarHBondContact OG1-OE1 2.79Å; T262-G290 PolarHBondContact OG1-N 3.48Å; T262-A291 PolarHBondContact N-O 3.47Å
263	E	97.8	Very high	97.4	Very high	117 Å²	117	37.1 Å²	37.1	55%	0.547	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	33.2	178.5	-60.8	-171.8	-174.6	0	0	111.5	G261 E265 A291 G292	G261-E263 VanDerWaalsContact C-N 3.31Å; E263-E265 PolarHBondContact O-N 2.49Å; E263-E265 VanDerWaalsContact O-N 3.07Å; E263-A291 CarbonylContact C-O 3.6Å; E263-A291 WeakPolarHBondContact CA-O 3.2Å; E263-A291 PolarHBondContact N-O 2.81Å; E263-G292 WeakPolarHBondContact O-CA 3.43Å
264	D	97.1	Very high	97.4	Very high	6 Å²	6	35 Å²	35	3%	0.032	19%	0.188	C	C	.	.			trans	-72.6	98.5	178.6	-170.2	-22.8	0	0	0	112.1	H260 V266 I267 D268 H293	H260-D264 IonicContact CD2-OD2 3.41Å; H260-D264 IonicContact NE2-OD2 2.73Å; H260-D264 PolarHBondContact NE2-OD2 3.17Å; H260-D264 VanDerWaalsContact NE2-OD2 3.16Å; D264-V266 VanDerWaalsContact C-N 3.3Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-V266 PolarHBondContact OD1-N 2.95Å; D264-I267 VanDerWaalsContact CB-O 3.3Å; D264-I267 WeakPolarHBondContact CB-O 3.23Å; D264-I267 CarbonylContact O-C 3.44Å; D264-I267 PolarHBondContact OD1-N 3.07Å; D264-D268 WeakPolarHBondContact O-CA 3.46Å; D264-H293 VanDerWaalsContact CG-ND1 3.28Å; D264-H293 VanDerWaalsContact OD1-CB 3.24Å; D264-H293 WeakPolarHBondContact OD1-CB 3.37Å; D264-H293 IonicContact OD1-CG 2.85Å; D264-H293 IonicContact OD1-ND1 2.72Å; D264-H293 PolarHBondContact OD1-ND1 3.18Å; D264-H293 IonicContact OD2-CE1 3.17Å; D264-H293 IonicContact OD2-CG 3.29Å; D264-H293 IonicContact OD2-ND1 3.76Å; D264-H293 PolarHBondContact OD2-ND1 3.3Å
265	E	91.6	Very high	97.4	Very high	177 Å²	177	35 Å²	35	83%	0.827	19%	0.188	S	C	*	.	S	Bend	trans	-78.3	-5.8	179	-64.6	-64.9	155.6	0	0	114.6	E263	E263-E265 PolarHBondContact O-N 2.49Å; E263-E265 VanDerWaalsContact O-N 3.07Å
266	V	91.4	Very high	97.5	Very high	82 Å²	82	37.9 Å²	37.9	50%	0.497	20%	0.197	S	C	.	.	S	Bend	trans	-98.5	-48.7	179.4	-178.2	0	0	0	0	110.2	D264 H293	D264-V266 VanDerWaalsContact C-N 3.3Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-V266 PolarHBondContact OD1-N 2.95Å; V266-H293 HydrophobicContact CB-CB 3.82Å; V266-H293 HydrophobicContact CG2-CB 3.66Å
267	I	94.1	Very high	97.4	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.051	23%	0.229	C	C	.	.	S	Bend	trans	-128.2	99.5	176.3	-52.8	-63.9	0	0	0	106.9	P222 L223 V229 H260 D264 F269 H271 H293	P222-I267 WeakPolarHBondContact O-CG2 3.23Å; L223-I267 HydrophobicContact CB-CD1 4.25Å; L223-I267 HydrophobicContact CB-CG2 4.1Å; V229-I267 HydrophobicContact CB-CD1 4.31Å; V229-I267 HydrophobicContact CG1-CD1 3.72Å; V229-I267 HydrophobicContact CG2-CD1 3.53Å; H260-I267 PolarHBondContact CE1-O 3.19Å; H260-I267 PolarHBondContact NE2-O 2.83Å; D264-I267 VanDerWaalsContact CB-O 3.3Å; D264-I267 WeakPolarHBondContact CB-O 3.23Å; D264-I267 CarbonylContact O-C 3.44Å; D264-I267 PolarHBondContact OD1-N 3.07Å; I267-F269 PolarHBondContact O-N 2.89Å; I267-H271 HydrophobicContact CG2-CB 3.83Å; I267-H293 VanDerWaalsContact CG1-CE1 3.44Å; I267-H293 WeakPolarHBondContact CG1-CE1 3.26Å
268	D	97	Very high	97.4	Very high	84 Å²	84	50.6 Å²	50.6	45%	0.449	25%	0.251	S	S	.	.			trans	-48.6	141.1	-176	177.5	-92.4	0	0	0	112.7	D264 S270 H271	D264-D268 WeakPolarHBondContact O-CA 3.46Å; D268-S270 PolarHBondContact O-N 3.12Å; D268-S270 WeakPolarHBondContact OD1-CA 3.45Å; D268-S270 WeakPolarHBondContact OD1-CB 3.34Å; D268-S270 PolarHBondContact OD1-N 3.11Å; D268-S270 PolarHBondContact OD1-OG 2.76Å; D268-H271 WeakPolarHBondContact O-CB 3.43Å; D268-H271 PolarHBondContact O-CD2 2.84Å; D268-H271 VanDerWaalsContact O-CD2 3.24Å; D268-H271 PolarHBondContact O-N 2.86Å
269	F	97.9	Very high	97.2	Very high	51 Å²	51	51.2 Å²	51.2	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-50.4	-31	-178.8	171.8	-106.2	0	0	0	113.7	H260 T262 I267 H271 G272 L273 W287	H260-F269 HydrophobicContact CB-CD2 4.17Å; H260-F269 HydrophobicContact CB-CE2 4.49Å; T262-F269 HydrophobicContact CG2-CD2 4.46Å; T262-F269 HydrophobicContact CG2-CE2 4.4Å; I267-F269 PolarHBondContact O-N 2.89Å; F269-H271 PolarHBondContact O-N 3.33Å; F269-H271 VanDerWaalsContact O-N 3.09Å; F269-G272 PolarHBondContact O-N 2.84Å; F269-G272 VanDerWaalsContact O-N 3.09Å; F269-L273 HydrophobicContact CE1-CB 4.4Å; F269-L273 HydrophobicContact CE1-CD2 4.41Å; F269-L273 PolarHBondContact O-N 2.93Å; F269-W287 HydrophobicContact CD2-CE3 4.49Å; F269-W287 HydrophobicContact CE2-CB 4.07Å; F269-W287 AromaticContact CE2-CD2 3.6Å; F269-W287 HydrophobicContact CE2-CD2 3.6Å; F269-W287 AromaticContact CE2-CE3 3.57Å; F269-W287 HydrophobicContact CE2-CE3 3.57Å; F269-W287 AromaticContact CE2-CG 3.82Å; F269-W287 HydrophobicContact CE2-CG 3.82Å; F269-W287 HydrophobicContact CE2-CZ3 4.19Å; F269-W287 HydrophobicContact CZ-CB 4.46Å; F269-W287 AromaticContact CZ-CD2 3.93Å; F269-W287 HydrophobicContact CZ-CD2 3.93Å; F269-W287 HydrophobicContact CZ-CE3 4.31Å; F269-W287 AromaticContact CZ-CG 3.99Å; F269-W287 HydrophobicContact CZ-CG 3.99Å
270	S	97.9	Very high	97.1	Very high	62 Å²	62	55.3 Å²	55.3	43%	0.434	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-23.3	177.1	69.2	0	0	0	0	113.6	D268 A274	D268-S270 PolarHBondContact O-N 3.12Å; D268-S270 WeakPolarHBondContact OD1-CA 3.45Å; D268-S270 WeakPolarHBondContact OD1-CB 3.34Å; D268-S270 PolarHBondContact OD1-N 3.11Å; D268-S270 PolarHBondContact OD1-OG 2.76Å; S270-A274 WeakPolarHBondContact O-CB 3.41Å; S270-A274 PolarHBondContact O-N 3.45Å
271	H	98.4	Very high	97	Very high	9 Å²	9	60.2 Å²	60.2	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-46.6	174.9	-72.9	-95.5	0	0	0	112.1	P222 T224 I267 D268 F269 A274 L275	P222-H271 WeakPolarHBondContact O-CB 3.22Å; T224-H271 HydrophobicContact CG2-CB 3.94Å; T224-H271 WeakPolarHBondContact CG2-O 3.45Å; T224-H271 PolarHBondContact N-ND1 2.86Å; T224-H271 PolarHBondContact OG1-CE1 3.06Å; T224-H271 VanDerWaalsContact OG1-CE1 3.26Å; T224-H271 PolarHBondContact OG1-ND1 3.39Å; I267-H271 HydrophobicContact CG2-CB 3.83Å; D268-H271 WeakPolarHBondContact O-CB 3.43Å; D268-H271 PolarHBondContact O-CD2 2.84Å; D268-H271 VanDerWaalsContact O-CD2 3.24Å; D268-H271 PolarHBondContact O-N 2.86Å; F269-H271 PolarHBondContact O-N 3.33Å; F269-H271 VanDerWaalsContact O-N 3.09Å; H271-A274 PolarHBondContact O-N 2.81Å; H271-L275 WeakPolarHBondContact O-CG 3.43Å; H271-L275 PolarHBondContact O-N 3.39Å; H271-L275 VanDerWaalsContact O-N 3.12Å
272	G	98.3	Very high	97	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-46.5	175.3	0	0	0	0	0	111.6	H260 F269 A274 L275 Y276	H260-G272 WeakPolarHBondContact ND1-CA 3.45Å; H260-G272 PolarHBondContact ND1-N 3.2Å; F269-G272 PolarHBondContact O-N 2.84Å; F269-G272 VanDerWaalsContact O-N 3.09Å; G272-A274 PolarHBondContact O-N 3.47Å; G272-L275 PolarHBondContact O-N 3.06Å; G272-Y276 WeakPolarHBondContact O-CB 3.46Å; G272-Y276 PolarHBondContact O-N 3.46Å
273	L	98.5	Very high	97	Very high	62 Å²	62	61.3 Å²	61.3	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-46.4	177.1	-175.9	62.1	0	0	0	112.1	F269 L275 Y276 E277	F269-L273 HydrophobicContact CE1-CB 4.4Å; F269-L273 HydrophobicContact CE1-CD2 4.41Å; F269-L273 PolarHBondContact O-N 2.93Å; L273-L275 VanDerWaalsContact C-N 3.32Å; L273-L275 PolarHBondContact O-N 2.75Å; L273-Y276 WeakPolarHBondContact O-CB 3.5Å; L273-Y276 PolarHBondContact O-N 2.89Å; L273-E277 HydrophobicContact CD1-CG 4.47Å; L273-E277 WeakPolarHBondContact O-CG 3.24Å; L273-E277 PolarHBondContact O-N 3.35Å
274	A	98.3	Very high	97	Very high	24 Å²	24	61.1 Å²	61.1	20%	0.198	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-32	-179	0	0	0	0	0	113.4	T224 I246 S270 H271 G272 R278	T224-A274 HydrophobicContact CG2-CB 3.98Å; I246-A274 HydrophobicContact CD1-CB 4.41Å; S270-A274 WeakPolarHBondContact O-CB 3.41Å; S270-A274 PolarHBondContact O-N 3.45Å; H271-A274 PolarHBondContact O-N 2.81Å; G272-A274 PolarHBondContact O-N 3.47Å; A274-R278 WeakPolarHBondContact O-CG 3.49Å
275	L	98.5	Very high	97.1	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-73.9	-40.6	172.8	-68.8	176.8	0	0	0	111.2	P222 T224 N245 I246 V249 I258 H271 G272 L273 E277 R278 C279	P222-L275 HydrophobicContact CB-CD1 3.5Å; P222-L275 HydrophobicContact CG-CD1 3.72Å; T224-L275 HydrophobicContact CG2-CD2 4.2Å; T224-L275 HydrophobicContact CG2-CG 3.94Å; N245-L275 HydrophobicContact CB-CD2 4.38Å; I246-L275 HydrophobicContact CD1-CD2 3.82Å; V249-L275 HydrophobicContact CB-CD2 3.95Å; V249-L275 HydrophobicContact CG1-CD2 3.8Å; V249-L275 HydrophobicContact CG2-CB 4.5Å; V249-L275 HydrophobicContact CG2-CD2 4.14Å; I258-L275 HydrophobicContact CD1-CB 4.1Å; H271-L275 WeakPolarHBondContact O-CG 3.43Å; H271-L275 PolarHBondContact O-N 3.39Å; H271-L275 VanDerWaalsContact O-N 3.12Å; G272-L275 PolarHBondContact O-N 3.06Å; L273-L275 VanDerWaalsContact C-N 3.32Å; L273-L275 PolarHBondContact O-N 2.75Å; L275-E277 VanDerWaalsContact C-N 3.35Å; L275-E277 PolarHBondContact O-N 2.77Å; L275-R278 PolarHBondContact O-N 3.4Å; L275-R278 VanDerWaalsContact O-N 3.11Å; L275-C279 PolarHBondContact O-N 3.43Å; L275-C279 PolarHBondContact O-SG 2.79Å; L275-C279 VanDerWaalsContact O-SG 3.33Å
276	Y	98.6	Very high	97.4	Very high	76 Å²	76	54.4 Å²	54.4	30%	0.298	28%	0.283	S	S	.	.	H	α-helix	trans	-55.7	-48.9	176	176.1	-101.9	0	0	0	112	I258 G272 L273 R278 C279 A282 V283 P285 W287	I258-Y276 HydrophobicContact CD1-CD2 4.31Å; I258-Y276 HydrophobicContact CD1-CG 4.47Å; G272-Y276 WeakPolarHBondContact O-CB 3.46Å; G272-Y276 PolarHBondContact O-N 3.46Å; L273-Y276 WeakPolarHBondContact O-CB 3.5Å; L273-Y276 PolarHBondContact O-N 2.89Å; Y276-R278 PolarHBondContact O-N 3.06Å; Y276-R278 VanDerWaalsContact O-N 3.17Å; Y276-C279 PolarHBondContact O-N 2.98Å; Y276-A282 HydrophobicContact CD2-CB 3.58Å; Y276-A282 HydrophobicContact CE2-CB 3.48Å; Y276-A282 VanDerWaalsContact CE2-CB 3.48Å; Y276-A282 HydrophobicContact CG-CB 4.5Å; Y276-V283 WeakPolarHBondContact CE2-O 3.44Å; Y276-P285 HydrophobicContact CD2-CB 3.97Å; Y276-P285 HydrophobicContact CD2-CG 4.02Å; Y276-P285 HydrophobicContact CE1-CG 4.49Å; Y276-P285 HydrophobicContact CE2-CB 4.03Å; Y276-P285 HydrophobicContact CE2-CG 3.7Å; Y276-W287 HydrophobicContact CD1-CZ2 4.38Å; Y276-W287 HydrophobicContact CD2-CZ2 4.46Å; Y276-W287 HydrophobicContact CG-CH2 4.39Å; Y276-W287 HydrophobicContact CG-CZ2 4.07Å
277	E	98.3	Very high	97.7	Very high	142 Å²	142	54 Å²	54	66%	0.664	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.7	179.4	-69.4	177.4	159.6	0	0	113.8	L273 L275	L273-E277 HydrophobicContact CD1-CG 4.47Å; L273-E277 WeakPolarHBondContact O-CG 3.24Å; L273-E277 PolarHBondContact O-N 3.35Å; L275-E277 VanDerWaalsContact C-N 3.35Å; L275-E277 PolarHBondContact O-N 2.77Å
278	R	97.8	Very high	97.9	Very high	125 Å²	125	53.6 Å²	53.6	47%	0.472	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-8.9	-179.5	-65.1	-172.7	-161.7	-171	4.3	113.9	V249 S250 A274 L275 Y276 P280	V249-R278 HydrophobicContact CG1-CB 3.74Å; S250-R278 WeakPolarHBondContact CA-O 3.46Å; A274-R278 WeakPolarHBondContact O-CG 3.49Å; L275-R278 PolarHBondContact O-N 3.4Å; L275-R278 VanDerWaalsContact O-N 3.11Å; Y276-R278 PolarHBondContact O-N 3.06Å; Y276-R278 VanDerWaalsContact O-N 3.17Å; R278-P280 WeakPolarHBondContact O-CD 3.22Å
279	C	96.1	Very high	98	Very high	12 Å²	12	56.2 Å²	56.2	8%	0.081	28%	0.28	C	S	.	.			trans	-74.9	117.1	175.2	-86.3	0	0	0	0	109.9	V249 L275 Y276 K281 A282	V249-C279 WeakPolarHBondContact CG2-SG 3.37Å; L275-C279 PolarHBondContact O-N 3.43Å; L275-C279 PolarHBondContact O-SG 2.79Å; L275-C279 VanDerWaalsContact O-SG 3.33Å; Y276-C279 PolarHBondContact O-N 2.98Å; C279-K281 PolarHBondContact O-N 2.94Å; C279-A282 HydrophobicContact CB-CB 3.69Å; C279-A282 PolarHBondContact O-N 3.26Å
280	P	95.9	Very high	98	Very high	87 Å²	87	55 Å²	55	57%	0.565	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.1	-178	-6.9	18.6	0	0	0	112.9	S250 R278	S250-P280 VanDerWaalsContact O-CG 3.23Å; S250-P280 WeakPolarHBondContact O-CG 3.47Å; R278-P280 WeakPolarHBondContact O-CD 3.22Å
281	K	96.8	Very high	98	Very high	103 Å²	103	52 Å²	52	45%	0.448	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	40.6	179	-65.4	-162	-169.6	169.4	0	111.9	T253 P255 V256 C279 V283	T253-K281 WeakPolarHBondContact O-CD 3.38Å; T253-K281 WeakPolarHBondContact O-CE 3.33Å; T253-K281 PolarHBondContact O-NZ 3.12Å; P255-K281 WeakPolarHBondContact CA-O 3.44Å; V256-K281 PolarHBondContact N-O 3.06Å; C279-K281 PolarHBondContact O-N 2.94Å; K281-V283 PolarHBondContact O-N 3.22Å
282	A	97.8	Very high	97.8	Very high	32 Å²	32	52.3 Å²	52.3	26%	0.264	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-61.4	130.5	169.7	0	0	0	0	0	110.1	V256 Y276 C279	V256-A282 WeakPolarHBondContact O-CA 3.47Å; Y276-A282 HydrophobicContact CD2-CB 3.58Å; Y276-A282 HydrophobicContact CE2-CB 3.48Å; Y276-A282 VanDerWaalsContact CE2-CB 3.48Å; Y276-A282 HydrophobicContact CG-CB 4.5Å; C279-A282 HydrophobicContact CB-CB 3.69Å; C279-A282 PolarHBondContact O-N 3.26Å
283	V	98.3	Very high	97.7	Very high	26 Å²	26	53.1 Å²	53.1	16%	0.158	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-90.4	173.5	166	-60.2	0	0	0	0	109.8	P255 V256 L257 Y276 K281 P285 F309	P255-V283 HydrophobicContact CB-CG1 4.11Å; V256-V283 WeakPolarHBondContact O-CG2 3.38Å; V256-V283 PolarHBondContact O-N 3.4Å; L257-V283 HydrophobicContact CB-CG2 3.84Å; L257-V283 HydrophobicContact CD1-CG2 4.14Å; Y276-V283 WeakPolarHBondContact CE2-O 3.44Å; K281-V283 PolarHBondContact O-N 3.22Å; V283-P285 WeakPolarHBondContact O-CD 3.48Å; V283-F309 HydrophobicContact CB-CE2 4.3Å; V283-F309 HydrophobicContact CG1-CE2 3.9Å; V283-F309 HydrophobicContact CG2-CD2 3.9Å; V283-F309 HydrophobicContact CG2-CE2 3.6Å; V283-F309 HydrophobicContact CG2-CZ 4.16Å
284	E	98.3	Very high	97.3	Very high	113 Å²	113	56.1 Å²	56.1	53%	0.528	29%	0.287	S	S	.	.	S	Bend	trans	-49.5	117.7	176.9	-174.1	173.2	-168.4	0	0	110.4	L257 R305 R308	L257-E284 VanDerWaalsContact CD1-O 3.28Å; L257-E284 WeakPolarHBondContact CD1-O 3.32Å; E284-R305 VanDerWaalsContact O-CZ 3.22Å; E284-R305 PolarHBondContact O-NE 3.49Å; E284-R305 PolarHBondContact O-NH2 2.81Å; E284-R308 IonicContact OE2-NH1 3.44Å; E284-R308 IonicContact OE2-NH2 3.74Å
285	P	98.6	Very high	97.2	Very high	24 Å²	24	57.3 Å²	57.3	16%	0.156	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-75.9	170.2	-175.1	32.6	-34.2	0	0	0	110.6	I258 Y276 V283 W287	I258-P285 WeakPolarHBondContact O-CA 3.14Å; Y276-P285 HydrophobicContact CD2-CB 3.97Å; Y276-P285 HydrophobicContact CD2-CG 4.02Å; Y276-P285 HydrophobicContact CE1-CG 4.49Å; Y276-P285 HydrophobicContact CE2-CB 4.03Å; Y276-P285 HydrophobicContact CE2-CG 3.7Å; V283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-W287 HydrophobicContact CB-CD2 4.09Å; P285-W287 HydrophobicContact CB-CE3 4.31Å; P285-W287 HydrophobicContact CB-CH2 3.64Å; P285-W287 HydrophobicContact CB-CZ2 3.32Å; P285-W287 HydrophobicContact CB-CZ3 4.12Å; P285-W287 HydrophobicContact CG-CD2 4.27Å; P285-W287 VanDerWaalsContact CG-CE2 3.43Å; P285-W287 HydrophobicContact CG-CH2 4.26Å; P285-W287 HydrophobicContact CG-CZ2 3.42Å; P285-W287 VanDerWaalsContact CG-CZ2 3.42Å
286	L	98.8	Very high	97.1	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.099	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	107.4	166.8	172.8	64.3	0	0	0	109.9	I258 I259 H260 V288 Q301 R305	I258-L286 PolarHBondContact O-N 2.81Å; I259-L286 CarbonylContact C-O 3.56Å; I259-L286 VanDerWaalsContact CA-O 3.3Å; I259-L286 WeakPolarHBondContact CA-O 3.44Å; I259-L286 HydrophobicContact CG1-CB 4.3Å; I259-L286 HydrophobicContact CG2-CB 4.31Å; I259-L286 HydrophobicContact CG2-CD2 3.92Å; I259-L286 HydrophobicContact CG2-CG 4.2Å; H260-L286 PolarHBondContact N-O 2.84Å; L286-V288 HydrophobicContact CD1-CG2 4Å; L286-V288 HydrophobicContact CD2-CG2 3.84Å; L286-V288 HydrophobicContact CG-CG2 3.64Å; L286-Q301 HydrophobicContact CD1-CB 4.13Å; L286-R305 HydrophobicContact CB-CB 4.23Å; L286-R305 HydrophobicContact CB-CG 3.85Å; L286-R305 HydrophobicContact CD2-CB 3.76Å; L286-R305 HydrophobicContact CD2-CG 4.26Å; L286-R305 HydrophobicContact CG-CB 4.41Å
287	W	98.7	Very high	96.9	Very high	74 Å²	74	55.8 Å²	55.8	28%	0.28	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.6	167.7	-45.8	137.4	0	0	0	107.9	I258 H260 T262 F269 Y276 P285 E289	I258-W287 HydrophobicContact CB-CH2 4.11Å; I258-W287 HydrophobicContact CB-CZ3 4.28Å; I258-W287 HydrophobicContact CG2-CH2 3.76Å; I258-W287 HydrophobicContact CG2-CZ3 3.65Å; H260-W287 HydrophobicContact CB-CE3 3.8Å; H260-W287 HydrophobicContact CB-CZ3 3.74Å; H260-W287 CarbonylContact O-C 3.54Å; H260-W287 WeakPolarHBondContact O-CA 3.35Å; T262-W287 HydrophobicContact CG2-CB 4.37Å; F269-W287 HydrophobicContact CD2-CE3 4.49Å; F269-W287 HydrophobicContact CE2-CB 4.07Å; F269-W287 AromaticContact CE2-CD2 3.6Å; F269-W287 HydrophobicContact CE2-CD2 3.6Å; F269-W287 AromaticContact CE2-CE3 3.57Å; F269-W287 HydrophobicContact CE2-CE3 3.57Å; F269-W287 AromaticContact CE2-CG 3.82Å; F269-W287 HydrophobicContact CE2-CG 3.82Å; F269-W287 HydrophobicContact CE2-CZ3 4.19Å; F269-W287 HydrophobicContact CZ-CB 4.46Å; F269-W287 AromaticContact CZ-CD2 3.93Å; F269-W287 HydrophobicContact CZ-CD2 3.93Å; F269-W287 HydrophobicContact CZ-CE3 4.31Å; F269-W287 AromaticContact CZ-CG 3.99Å; F269-W287 HydrophobicContact CZ-CG 3.99Å; Y276-W287 HydrophobicContact CD1-CZ2 4.38Å; Y276-W287 HydrophobicContact CD2-CZ2 4.46Å; Y276-W287 HydrophobicContact CG-CH2 4.39Å; Y276-W287 HydrophobicContact CG-CZ2 4.07Å; P285-W287 HydrophobicContact CB-CD2 4.09Å; P285-W287 HydrophobicContact CB-CE3 4.31Å; P285-W287 HydrophobicContact CB-CH2 3.64Å; P285-W287 HydrophobicContact CB-CZ2 3.32Å; P285-W287 HydrophobicContact CB-CZ3 4.12Å; P285-W287 HydrophobicContact CG-CD2 4.27Å; P285-W287 VanDerWaalsContact CG-CE2 3.43Å; P285-W287 HydrophobicContact CG-CH2 4.26Å; P285-W287 HydrophobicContact CG-CZ2 3.42Å; P285-W287 VanDerWaalsContact CG-CZ2 3.42Å; W287-E289 PolarHBondContact O-N 3.06Å
288	V	98.4	Very high	96.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	104.4	-177.9	-172.3	0	0	0	0	108.5	H260 G261 T262 L286 G290 A291 I296 Y299	H260-V288 PolarHBondContact O-N 2.84Å; G261-V288 WeakPolarHBondContact CA-O 3.23Å; T262-V288 PolarHBondContact N-O 2.95Å; L286-V288 HydrophobicContact CD1-CG2 4Å; L286-V288 HydrophobicContact CD2-CG2 3.84Å; L286-V288 HydrophobicContact CG-CG2 3.64Å; V288-G290 PolarHBondContact O-N 3.26Å; V288-A291 HydrophobicContact CB-CB 3.75Å; V288-A291 HydrophobicContact CG1-CB 3.5Å; V288-A291 PolarHBondContact O-N 2.78Å; V288-I296 HydrophobicContact CG2-CG2 4.01Å; V288-Y299 HydrophobicContact CG1-CD1 3.64Å; V288-Y299 HydrophobicContact CG1-CD2 3.84Å; V288-Y299 HydrophobicContact CG1-CE1 4.18Å; V288-Y299 HydrophobicContact CG1-CE2 4.36Å; V288-Y299 HydrophobicContact CG1-CG 3.46Å; V288-Y299 VanDerWaalsContact CG1-CG 3.46Å
289	E	98.1	Very high	96.7	Very high	140 Å²	140	53.7 Å²	53.7	65%	0.654	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	127.2	-177.7	-166.2	63.6	-117.2	0	0	111.3	T262 W287 A291	T262-E289 WeakPolarHBondContact OG1-CA 3.2Å; T262-E289 PolarHBondContact OG1-OE1 2.79Å; W287-E289 PolarHBondContact O-N 3.06Å; E289-A291 PolarHBondContact O-N 3.29Å
290	G	97.5	Very high	96.7	Very high	25 Å²	25	58.1 Å²	58.1	26%	0.258	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-2.6	179.8	0	0	0	0	0	115.2	T262 V288 Y299	T262-G290 PolarHBondContact OG1-N 3.48Å; V288-G290 PolarHBondContact O-N 3.26Å; G290-Y299 PolarHBondContact O-OH 2.64Å
291	A	98	Very high	96.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.			trans	-81	142.7	174.2	0	0	0	0	0	111.3	G261 T262 E263 V288 E289 I296 Y299	G261-A291 CarbonylContact C-O 3.51Å; G261-A291 VanDerWaalsContact C-O 3.29Å; G261-A291 WeakPolarHBondContact CA-O 3.34Å; T262-A291 PolarHBondContact N-O 3.47Å; E263-A291 CarbonylContact C-O 3.6Å; E263-A291 WeakPolarHBondContact CA-O 3.2Å; E263-A291 PolarHBondContact N-O 2.81Å; V288-A291 HydrophobicContact CB-CB 3.75Å; V288-A291 HydrophobicContact CG1-CB 3.5Å; V288-A291 PolarHBondContact O-N 2.78Å; E289-A291 PolarHBondContact O-N 3.29Å; A291-I296 HydrophobicContact CB-CG1 3.77Å; A291-Y299 HydrophobicContact CB-CD2 3.93Å; A291-Y299 HydrophobicContact CB-CE2 3.46Å; A291-Y299 VanDerWaalsContact CB-CE2 3.46Å
292	G	94.8	Very high	96.9	Very high	15 Å²	15	53.5 Å²	53.5	16%	0.155	28%	0.281	C	S	.	.			trans	-93.9	-159.1	169.7	0	0	0	0	0	112.9	E263 D295 I296	E263-G292 WeakPolarHBondContact O-CA 3.43Å; G292-D295 WeakPolarHBondContact CA-OD1 3.48Å; G292-D295 PolarHBondContact N-OD1 3.1Å; G292-I296 WeakPolarHBondContact O-CG1 3.39Å
293	H	94.8	Very high	96.9	Very high	16 Å²	16	53.7 Å²	53.7	7%	0.074	28%	0.277	C	S	.	.	S	Bend	trans	-71	-32.2	-174.3	-160.8	67.2	0	0	0	114.7	S199 D264 V266 I267	S199-H293 VanDerWaalsContact CB-NE2 3.27Å; S199-H293 WeakPolarHBondContact CB-NE2 3.43Å; S199-H293 PolarHBondContact OG-CE1 2.85Å; S199-H293 PolarHBondContact OG-NE2 3.06Å; D264-H293 VanDerWaalsContact CG-ND1 3.28Å; D264-H293 VanDerWaalsContact OD1-CB 3.24Å; D264-H293 WeakPolarHBondContact OD1-CB 3.37Å; D264-H293 IonicContact OD1-CG 2.85Å; D264-H293 IonicContact OD1-ND1 2.72Å; D264-H293 PolarHBondContact OD1-ND1 3.18Å; D264-H293 IonicContact OD2-CE1 3.17Å; D264-H293 IonicContact OD2-CG 3.29Å; D264-H293 IonicContact OD2-ND1 3.76Å; D264-H293 PolarHBondContact OD2-ND1 3.3Å; V266-H293 HydrophobicContact CB-CB 3.82Å; V266-H293 HydrophobicContact CG2-CB 3.66Å; I267-H293 VanDerWaalsContact CG1-CE1 3.44Å; I267-H293 WeakPolarHBondContact CG1-CE1 3.26Å
294	N	91.9	Very high	96.9	Very high	126 Å²	126	56.4 Å²	56.4	67%	0.674	29%	0.291	S	S	*	.	S	Bend	trans	-121.2	9.1	-163.7	-60.2	-53.5	0	0	0	113.5
295	D	94.6	Very high	96.9	Very high	48 Å²	48	51.9 Å²	51.9	26%	0.257	27%	0.269	S	S	.	.			trans	-125.1	-0.8	-175.6	68.5	-10.4	0	0	0	113.6	G292 E297 L298 Y299	G292-D295 WeakPolarHBondContact CA-OD1 3.48Å; G292-D295 PolarHBondContact N-OD1 3.1Å; D295-E297 PolarHBondContact O-N 3.49Å; D295-L298 HydrophobicContact CB-CD1 4.02Å; D295-L298 HydrophobicContact CB-CG 4.45Å; D295-L298 WeakPolarHBondContact O-CB 3.38Å; D295-L298 WeakPolarHBondContact O-CG 3.28Å; D295-L298 PolarHBondContact O-N 3.47Å; D295-Y299 VanDerWaalsContact O-CD2 3.24Å; D295-Y299 WeakPolarHBondContact O-CD2 3.45Å
296	I	96.4	Very high	96.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-53.2	-40.4	179.8	-71.5	163.8	0	0	0	111.5	H220 S221 I259 G261 V288 A291 G292 L298 Y299 Y302	H220-I296 WeakPolarHBondContact NE2-CB 3.22Å; H220-I296 VanDerWaalsContact NE2-CD1 3.29Å; H220-I296 WeakPolarHBondContact NE2-CD1 3.42Å; H220-I296 VanDerWaalsContact NE2-CG2 3.31Å; H220-I296 WeakPolarHBondContact NE2-CG2 3.15Å; S221-I296 VanDerWaalsContact OG-CD1 3.25Å; S221-I296 WeakPolarHBondContact OG-CD1 3.23Å; I259-I296 HydrophobicContact CG2-CG2 3.8Å; G261-I296 VanDerWaalsContact N-CD1 3.29Å; V288-I296 HydrophobicContact CG2-CG2 4.01Å; A291-I296 HydrophobicContact CB-CG1 3.77Å; G292-I296 WeakPolarHBondContact O-CG1 3.39Å; I296-L298 PolarHBondContact O-N 3.1Å; I296-Y299 WeakPolarHBondContact O-CB 3.47Å; I296-Y299 PolarHBondContact O-N 3.22Å; I296-Y302 HydrophobicContact CG2-CD2 3.79Å; I296-Y302 HydrophobicContact CG2-CE2 4.47Å; I296-Y302 HydrophobicContact CG2-CG 4.38Å
297	E	95.2	Very high	96.8	Very high	45 Å²	45	55.1 Å²	55.1	21%	0.21	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-66.8	-15.6	-179.3	-57.5	92	158.9	0	0	113.5	F139 Q198 H220 D295 Y299 Y302	F139-E297 HydrophobicContact CE2-CB 4.46Å; F139-E297 HydrophobicContact CE2-CG 3.95Å; F139-E297 HydrophobicContact CZ-CG 4.34Å; Q198-E297 PolarHBondContact NE2-OE1 2.85Å; H220-E297 VanDerWaalsContact CE1-CD 3.46Å; H220-E297 IonicContact CE1-OE1 3.6Å; H220-E297 PolarHBondContact CE1-OE1 3.5Å; H220-E297 IonicContact CE1-OE2 3.16Å; H220-E297 IonicContact ND1-OE1 3.72Å; D295-E297 PolarHBondContact O-N 3.49Å; E297-Y299 VanDerWaalsContact C-N 3.32Å; E297-Y302 HydrophobicContact CB-CD1 4.22Å; E297-Y302 HydrophobicContact CB-CE1 4.19Å; E297-Y302 HydrophobicContact CG-CD1 4.25Å; E297-Y302 HydrophobicContact CG-CE1 3.83Å; E297-Y302 HydrophobicContact CG-CE2 4.26Å
298	L	94.8	Very high	96.7	Very high	147 Å²	147	57.3 Å²	57.3	77%	0.77	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-78.3	-18.6	174.8	-52.6	-177.6	0	0	0	112.2	D295 I296	D295-L298 HydrophobicContact CB-CD1 4.02Å; D295-L298 HydrophobicContact CB-CG 4.45Å; D295-L298 WeakPolarHBondContact O-CB 3.38Å; D295-L298 WeakPolarHBondContact O-CG 3.28Å; D295-L298 PolarHBondContact O-N 3.47Å; I296-L298 PolarHBondContact O-N 3.1Å
299	Y	97.5	Very high	96.7	Very high	75 Å²	75	57.3 Å²	57.3	29%	0.294	29%	0.285	S	S	.	.	S	Bend	trans	-84.4	129.3	179.2	-67.2	-103.3	0	0	0	110.5	V288 G290 A291 D295 I296 E297 Q301 Y302	V288-Y299 HydrophobicContact CG1-CD1 3.64Å; V288-Y299 HydrophobicContact CG1-CD2 3.84Å; V288-Y299 HydrophobicContact CG1-CE1 4.18Å; V288-Y299 HydrophobicContact CG1-CE2 4.36Å; V288-Y299 HydrophobicContact CG1-CG 3.46Å; V288-Y299 VanDerWaalsContact CG1-CG 3.46Å; G290-Y299 PolarHBondContact O-OH 2.64Å; A291-Y299 HydrophobicContact CB-CD2 3.93Å; A291-Y299 HydrophobicContact CB-CE2 3.46Å; A291-Y299 VanDerWaalsContact CB-CE2 3.46Å; D295-Y299 VanDerWaalsContact O-CD2 3.24Å; D295-Y299 WeakPolarHBondContact O-CD2 3.45Å; I296-Y299 WeakPolarHBondContact O-CB 3.47Å; I296-Y299 PolarHBondContact O-N 3.22Å; E297-Y299 VanDerWaalsContact C-N 3.32Å; Y299-Q301 PolarHBondContact O-N 3.38Å; Y299-Y302 VanDerWaalsContact O-CB 3.26Å; Y299-Y302 WeakPolarHBondContact O-CB 3.4Å; Y299-Y302 PolarHBondContact O-N 3.28Å
300	V	95.9	Very high	96.6	Very high	105 Å²	105	51 Å²	51	64%	0.636	26%	0.256	S	S	*	.	H	α-helix	trans	-55.4	-32.5	-179.4	66.9	0	0	0	0	113.2	Y302 L303 D304	V300-Y302 PolarHBondContact O-N 3.1Å; V300-L303 PolarHBondContact O-N 2.94Å; V300-D304 PolarHBondContact O-N 3.34Å
301	Q	97.8	Very high	96.4	Very high	91 Å²	91	52.2 Å²	52.2	43%	0.425	27%	0.269	S	S	.	.	H	α-helix	trans	-57.4	-31.7	179.3	-62	163.7	-4	0	0	112.5	L286 Y299 D304 R305	L286-Q301 HydrophobicContact CD1-CB 4.13Å; Y299-Q301 PolarHBondContact O-N 3.38Å; Q301-D304 PolarHBondContact O-N 3.37Å; Q301-R305 WeakPolarHBondContact O-CB 3.18Å; Q301-R305 PolarHBondContact O-N 3.24Å
302	Y	98.4	Very high	96.1	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-54.8	177.2	172.6	-104.3	0	0	0	111.6	L143 Y196 H220 I259 I296 E297 Y299 V300 L306	L143-Y302 HydrophobicContact CD1-CE1 4.29Å; Y196-Y302 WeakPolarHBondContact OH-CE2 3.35Å; Y196-Y302 PolarHBondContact OH-OH 3.05Å; H220-Y302 AromaticContact CE1-CE2 3.79Å; H220-Y302 AromaticContact ND1-CE2 3.97Å; I259-Y302 HydrophobicContact CD1-CD2 4.08Å; I259-Y302 HydrophobicContact CD1-CE2 3.93Å; I259-Y302 HydrophobicContact CG2-CD2 4.24Å; I296-Y302 HydrophobicContact CG2-CD2 3.79Å; I296-Y302 HydrophobicContact CG2-CE2 4.47Å; I296-Y302 HydrophobicContact CG2-CG 4.38Å; E297-Y302 HydrophobicContact CB-CD1 4.22Å; E297-Y302 HydrophobicContact CB-CE1 4.19Å; E297-Y302 HydrophobicContact CG-CD1 4.25Å; E297-Y302 HydrophobicContact CG-CE1 3.83Å; E297-Y302 HydrophobicContact CG-CE2 4.26Å; Y299-Y302 VanDerWaalsContact O-CB 3.26Å; Y299-Y302 WeakPolarHBondContact O-CB 3.4Å; Y299-Y302 PolarHBondContact O-N 3.28Å; V300-Y302 PolarHBondContact O-N 3.1Å; Y302-L306 HydrophobicContact CD1-CD1 4.13Å; Y302-L306 HydrophobicContact CD2-CD1 4.3Å; Y302-L306 HydrophobicContact CE1-CD1 3.6Å; Y302-L306 HydrophobicContact CE2-CD1 3.83Å; Y302-L306 HydrophobicContact CG-CD1 4.44Å; Y302-L306 VanDerWaalsContact CZ-CD1 3.44Å; Y302-L306 WeakPolarHBondContact O-CG 3.38Å; Y302-L306 PolarHBondContact O-N 3.39Å; Y302-L306 VanDerWaalsContact O-N 3.14Å
303	L	97.5	Very high	96	Very high	35 Å²	35	59.8 Å²	59.8	18%	0.183	30%	0.3	C	S	.	.	H	α-helix	trans	-68.1	-37.8	-179.6	-72.2	174.2	0	0	0	111.9	L143 R146 V300 L306 R307	L143-L303 HydrophobicContact CD1-CD2 4.41Å; R146-L303 HydrophobicContact CB-CD2 4.11Å; V300-L303 PolarHBondContact O-N 2.94Å; L303-L306 PolarHBondContact O-N 3.39Å; L303-R307 WeakPolarHBondContact O-CB 3.42Å; L303-R307 VanDerWaalsContact O-CG 3.29Å; L303-R307 WeakPolarHBondContact O-CG 3.41Å; L303-R307 PolarHBondContact O-N 3.18Å
304	D	98.1	Very high	96	Very high	83 Å²	83	59.2 Å²	59.2	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-43.9	179.8	-73	-15.1	0	0	0	111.7	V300 Q301 R307 R308	V300-D304 PolarHBondContact O-N 3.34Å; Q301-D304 PolarHBondContact O-N 3.37Å; D304-R307 PolarHBondContact O-N 3.41Å; D304-R307 IonicContact OD1-NH1 3.74Å; D304-R308 WeakPolarHBondContact O-CB 3.46Å; D304-R308 PolarHBondContact O-N 3.09Å
305	R	98.4	Very high	95.3	Very high	19 Å²	19	55.4 Å²	55.4	7%	0.072	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-46.1	175.6	180	72.7	-166.6	95.6	-8.3	111.4	L257 E284 L286 Q301 R308 F309 E313	L257-R305 HydrophobicContact CD1-CG 4.05Å; L257-R305 HydrophobicContact CD2-CG 4.03Å; E284-R305 VanDerWaalsContact O-CZ 3.22Å; E284-R305 PolarHBondContact O-NE 3.49Å; E284-R305 PolarHBondContact O-NH2 2.81Å; L286-R305 HydrophobicContact CB-CB 4.23Å; L286-R305 HydrophobicContact CB-CG 3.85Å; L286-R305 HydrophobicContact CD2-CB 3.76Å; L286-R305 HydrophobicContact CD2-CG 4.26Å; L286-R305 HydrophobicContact CG-CB 4.41Å; Q301-R305 WeakPolarHBondContact O-CB 3.18Å; Q301-R305 PolarHBondContact O-N 3.24Å; R305-R308 PolarHBondContact O-N 3.36Å; R305-F309 WeakPolarHBondContact O-CB 3.2Å; R305-F309 PolarHBondContact O-N 3.13Å; R305-E313 IonicContact CZ-OE1 2.7Å; R305-E313 IonicContact CZ-OE2 2.8Å; R305-E313 IonicContact NH1-OE1 2.91Å; R305-E313 PolarHBondContact NH1-OE1 3.34Å; R305-E313 IonicContact NH1-OE2 3.33Å; R305-E313 IonicContact NH2-OE1 3.85Å; R305-E313 PolarHBondContact NH2-OE1 2.98Å; R305-E313 IonicContact NH2-OE2 2.74Å; R305-E313 PolarHBondContact NH2-OE2 3Å
306	L	98.3	Very high	94.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-45.4	-180	-74.5	177.3	0	0	0	111.7	L143 I147 Y196 I218 L257 I259 Y302 L303 R308 F309 I310	L143-L306 HydrophobicContact CD1-CD1 3.99Å; I147-L306 HydrophobicContact CG2-CB 4.07Å; I147-L306 HydrophobicContact CG2-CD1 4.47Å; Y196-L306 HydrophobicContact CE2-CD2 4.23Å; I218-L306 HydrophobicContact CD1-CD2 3.78Å; I218-L306 HydrophobicContact CG2-CD2 4.28Å; L257-L306 HydrophobicContact CD2-CD2 4.07Å; I259-L306 HydrophobicContact CD1-CD2 3.9Å; I259-L306 HydrophobicContact CD1-CG 4.3Å; Y302-L306 HydrophobicContact CD1-CD1 4.13Å; Y302-L306 HydrophobicContact CD2-CD1 4.3Å; Y302-L306 HydrophobicContact CE1-CD1 3.6Å; Y302-L306 HydrophobicContact CE2-CD1 3.83Å; Y302-L306 HydrophobicContact CG-CD1 4.44Å; Y302-L306 VanDerWaalsContact CZ-CD1 3.44Å; Y302-L306 WeakPolarHBondContact O-CG 3.38Å; Y302-L306 PolarHBondContact O-N 3.39Å; Y302-L306 VanDerWaalsContact O-N 3.14Å; L303-L306 PolarHBondContact O-N 3.39Å; L306-R308 VanDerWaalsContact C-N 3.35Å; L306-R308 PolarHBondContact O-N 3.4Å; L306-F309 PolarHBondContact O-N 2.82Å; L306-I310 WeakPolarHBondContact O-CB 3.21Å; L306-I310 WeakPolarHBondContact O-CG1 3.39Å; L306-I310 PolarHBondContact O-N 2.84Å
307	R	96.9	Very high	92.9	Very high	110 Å²	110	65 Å²	65	42%	0.415	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-42.6	176.3	-75.6	171.5	177.1	152.7	-3.3	112.2	R146 L303 D304 G311	R146-R307 PolarHBondContact O-NE 2.85Å; R146-R307 PolarHBondContact O-NH2 2.78Å; L303-R307 WeakPolarHBondContact O-CB 3.42Å; L303-R307 VanDerWaalsContact O-CG 3.29Å; L303-R307 WeakPolarHBondContact O-CG 3.41Å; L303-R307 PolarHBondContact O-N 3.18Å; D304-R307 PolarHBondContact O-N 3.41Å; D304-R307 IonicContact OD1-NH1 3.74Å; R307-G311 WeakPolarHBondContact O-CA 3.29Å; R307-G311 PolarHBondContact O-N 3.29Å
308	R	97.8	Very high	92.8	Very high	120 Å²	120	66 Å²	66	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-47.2	176	-175.6	177.7	174.5	-177.1	-9.9	111.2	E284 D304 R305 L306 Q312 E313	E284-R308 IonicContact OE2-NH1 3.44Å; E284-R308 IonicContact OE2-NH2 3.74Å; D304-R308 WeakPolarHBondContact O-CB 3.46Å; D304-R308 PolarHBondContact O-N 3.09Å; R305-R308 PolarHBondContact O-N 3.36Å; L306-R308 VanDerWaalsContact C-N 3.35Å; L306-R308 PolarHBondContact O-N 3.4Å; R308-Q312 WeakPolarHBondContact O-CA 3.5Å; R308-Q312 VanDerWaalsContact O-CB 3.25Å; R308-Q312 WeakPolarHBondContact O-CB 3.41Å; R308-Q312 PolarHBondContact O-N 3.07Å; R308-E313 IonicContact NE-OE1 3.65Å; R308-E313 PolarHBondContact O-N 3.47Å; R308-E313 VanDerWaalsContact O-N 3.1Å
309	F	98.3	Very high	92.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.327	C	S	.	.	I	π-helix	trans	-60	-54.5	179.6	-175.6	-137.1	0	0	0	111.3	A216 I218 P255 L257 V283 R305 L306 E313 L314	A216-F309 HydrophobicContact CB-CE1 3.69Å; A216-F309 HydrophobicContact CB-CZ 3.57Å; I218-F309 HydrophobicContact CD1-CD1 4.2Å; I218-F309 HydrophobicContact CD1-CE1 4.3Å; I218-F309 HydrophobicContact CG1-CD1 4.1Å; I218-F309 HydrophobicContact CG1-CE1 3.82Å; P255-F309 HydrophobicContact CB-CE2 4.22Å; P255-F309 HydrophobicContact CB-CZ 4.15Å; L257-F309 HydrophobicContact CB-CD1 3.84Å; L257-F309 HydrophobicContact CB-CE1 3.66Å; L257-F309 HydrophobicContact CB-CG 4.34Å; L257-F309 HydrophobicContact CB-CZ 4.03Å; L257-F309 HydrophobicContact CD2-CB 4.06Å; L257-F309 HydrophobicContact CD2-CD1 3.69Å; L257-F309 HydrophobicContact CD2-CE1 4.36Å; L257-F309 HydrophobicContact CD2-CG 4.01Å; L257-F309 HydrophobicContact CG-CD1 4.41Å; V283-F309 HydrophobicContact CB-CE2 4.3Å; V283-F309 HydrophobicContact CG1-CE2 3.9Å; V283-F309 HydrophobicContact CG2-CD2 3.9Å; V283-F309 HydrophobicContact CG2-CE2 3.6Å; V283-F309 HydrophobicContact CG2-CZ 4.16Å; R305-F309 WeakPolarHBondContact O-CB 3.2Å; R305-F309 PolarHBondContact O-N 3.13Å; L306-F309 PolarHBondContact O-N 2.82Å; F309-E313 HydrophobicContact CD2-CB 4.12Å; F309-E313 WeakPolarHBondContact CD2-OE2 3.5Å; F309-E313 WeakPolarHBondContact O-CB 3.48Å; F309-E313 PolarHBondContact O-N 3.13Å; F309-L314 HydrophobicContact CD1-CD1 4.45Å; F309-L314 HydrophobicContact CD2-CG 4.29Å; F309-L314 HydrophobicContact CE1-CD1 4.18Å; F309-L314 HydrophobicContact CE2-CD1 4.49Å; F309-L314 HydrophobicContact CE2-CD2 3.84Å; F309-L314 HydrophobicContact CE2-CG 4.06Å; F309-L314 HydrophobicContact CZ-CD1 4.22Å; F309-L314 HydrophobicContact CZ-CD2 4Å; F309-L314 HydrophobicContact CZ-CG 4.24Å; F309-L314 WeakPolarHBondContact O-CG 3.41Å; F309-L314 PolarHBondContact O-N 3.4Å
310	I	96.3	Very high	92.4	Very high	7 Å²	7	61 Å²	61	4%	0.036	33%	0.329	C	S	.	.	I	π-helix	trans	-75.2	-46.8	-172.2	-62.4	172.9	0	0	0	111.4	F121 I147 I194 I218 L306	F121-I310 HydrophobicContact CD2-CG2 3.82Å; F121-I310 HydrophobicContact CE2-CG2 4.31Å; I147-I310 HydrophobicContact CB-CD1 4.2Å; I147-I310 HydrophobicContact CD1-CD1 3.83Å; I147-I310 HydrophobicContact CG1-CD1 4.34Å; I194-I310 HydrophobicContact CD1-CD1 4.1Å; I194-I310 HydrophobicContact CD1-CG1 3.92Å; I194-I310 HydrophobicContact CD1-CG2 4.15Å; I218-I310 HydrophobicContact CD1-CD1 4.41Å; L306-I310 WeakPolarHBondContact O-CB 3.21Å; L306-I310 WeakPolarHBondContact O-CG1 3.39Å; L306-I310 PolarHBondContact O-N 2.84Å
311	G	92.7	Very high	92.2	Very high	52 Å²	52	58.4 Å²	58.4	54%	0.536	31%	0.31	S	S	.	.	I	π-helix	trans	-83.9	-18.7	-172	0	0	0	0	0	114.7	R307 A315	R307-G311 WeakPolarHBondContact O-CA 3.29Å; R307-G311 PolarHBondContact O-N 3.29Å; G311-A315 VanDerWaalsContact O-CB 3.31Å; G311-A315 WeakPolarHBondContact O-CB 3.32Å
312	Q	91.1	Very high	91.9	Very high	127 Å²	127	56.4 Å²	56.4	59%	0.593	30%	0.303	S	S	*	.	I	π-helix	trans	-122.2	-56.6	-176.7	-51.7	176.8	1.2	0	0	111.6	R308 A316	R308-Q312 WeakPolarHBondContact O-CA 3.5Å; R308-Q312 VanDerWaalsContact O-CB 3.25Å; R308-Q312 WeakPolarHBondContact O-CB 3.41Å; R308-Q312 PolarHBondContact O-N 3.07Å; Q312-A316 VanDerWaalsContact O-CB 3.26Å; Q312-A316 WeakPolarHBondContact O-CB 3.27Å; Q312-A316 PolarHBondContact O-N 2.95Å; Q312-A316 VanDerWaalsContact O-N 3.13Å
313	E	94.3	Very high	91.5	Very high	46 Å²	46	59.9 Å²	59.9	22%	0.215	32%	0.323	C	S	.	.	I	π-helix	trans	-71	-42	-173.1	-66.3	164.8	-138.5	0	0	112.7	R305 R308 F309 Q317	R305-E313 IonicContact CZ-OE1 2.7Å; R305-E313 IonicContact CZ-OE2 2.8Å; R305-E313 IonicContact NH1-OE1 2.91Å; R305-E313 PolarHBondContact NH1-OE1 3.34Å; R305-E313 IonicContact NH1-OE2 3.33Å; R305-E313 IonicContact NH2-OE1 3.85Å; R305-E313 PolarHBondContact NH2-OE1 2.98Å; R305-E313 IonicContact NH2-OE2 2.74Å; R305-E313 PolarHBondContact NH2-OE2 3Å; R308-E313 IonicContact NE-OE1 3.65Å; R308-E313 PolarHBondContact O-N 3.47Å; R308-E313 VanDerWaalsContact O-N 3.1Å; F309-E313 HydrophobicContact CD2-CB 4.12Å; F309-E313 WeakPolarHBondContact CD2-OE2 3.5Å; F309-E313 WeakPolarHBondContact O-CB 3.48Å; F309-E313 PolarHBondContact O-N 3.13Å; E313-Q317 PolarHBondContact O-NE2 3.32Å
314	L	93.2	Very high	91	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-27.1	175.9	-62	-177.8	0	0	0	112.9	F121 I194 A216 P255 F309 A316	F121-L314 HydrophobicContact CE2-CB 4.26Å; F121-L314 HydrophobicContact CZ-CB 4.03Å; I194-L314 HydrophobicContact CD1-CD1 4Å; I194-L314 HydrophobicContact CG1-CD1 4.37Å; A216-L314 HydrophobicContact CB-CD1 3.47Å; A216-L314 VanDerWaalsContact CB-CD1 3.47Å; A216-L314 HydrophobicContact CB-CD2 3.88Å; A216-L314 HydrophobicContact CB-CG 4.3Å; P255-L314 HydrophobicContact CB-CD2 4.16Å; P255-L314 HydrophobicContact CG-CD2 4.07Å; F309-L314 HydrophobicContact CD1-CD1 4.45Å; F309-L314 HydrophobicContact CD2-CG 4.29Å; F309-L314 HydrophobicContact CE1-CD1 4.18Å; F309-L314 HydrophobicContact CE2-CD1 4.49Å; F309-L314 HydrophobicContact CE2-CD2 3.84Å; F309-L314 HydrophobicContact CE2-CG 4.06Å; F309-L314 HydrophobicContact CZ-CD1 4.22Å; F309-L314 HydrophobicContact CZ-CD2 4Å; F309-L314 HydrophobicContact CZ-CG 4.24Å; F309-L314 WeakPolarHBondContact O-CG 3.41Å; F309-L314 PolarHBondContact O-N 3.4Å; L314-A316 VanDerWaalsContact C-N 3.31Å
315	A	78.9	Confident	90.5	Very high	46 Å²	46	60.1 Å²	60.1	38%	0.38	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-26.8	178.9	0	0	0	0	0	112.7	G311	G311-A315 VanDerWaalsContact O-CB 3.31Å; G311-A315 WeakPolarHBondContact O-CB 3.32Å
316	A	76	Confident	89.8	Confident	90 Å²	90	63.5 Å²	63.5	74%	0.744	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.6	179.5	0	0	0	0	0	114.5	Q312 L314	Q312-A316 VanDerWaalsContact O-CB 3.26Å; Q312-A316 WeakPolarHBondContact O-CB 3.27Å; Q312-A316 PolarHBondContact O-N 2.95Å; Q312-A316 VanDerWaalsContact O-N 3.13Å; L314-A316 VanDerWaalsContact C-N 3.31Å
317	Q	64.4	Low	89.1	Confident	159 Å²	159	69.3 Å²	69.3	74%	0.743	38%	0.376	S	S	*	.			trans	-91.4	0	173.2	-65.4	174.9	38.3	0	0	110.3	E313	E313-Q317 PolarHBondContact O-NE2 3.32Å

Retrieved 317 of 317 residues in 188.7 ms (Link to these results)

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