A0A5K4F049_SCHMA Loading...

AB hydrolase-1 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F049, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 297 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.1	Very low	48.3	Very low	204 Å²	204	91.6 Å²	91.6	100%	1.005	53%	0.526	S	S	*	.				0	135	0	-69.7	-179.2	-165.8	0	0	107.8	V3	M1-V3 PolarHBondContact O-N 2.74Å
2	A	51.6	Low	48.4	Very low	23 Å²	23	88.8 Å²	88.8	19%	0.19	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-59.1	130.7	173.9	0	0	0	0	0	109.6	F51 V53 F154	A2-F51 HydrophobicContact CB-CD1 4.23Å; A2-V53 HydrophobicContact CB-CG2 4.31Å; A2-F154 HydrophobicContact CB-CD1 4.48Å; A2-F154 HydrophobicContact CB-CE1 3.98Å; A2-F154 HydrophobicContact CB-CZ 4.07Å
3	V	53	Low	47.8	Very low	95 Å²	95	89.8 Å²	89.8	58%	0.576	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	119	177.3	-176.7	0	0	0	0	107.3	M1 C5	M1-V3 PolarHBondContact O-N 2.74Å; V3-C5 PolarHBondContact O-N 2.93Å
4	P	57	Low	47.3	Very low	98 Å²	98	88.4 Å²	88.4	64%	0.636	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	122.4	169.7	-16	27.5	0	0	0	108.1	F51	P4-F51 HydrophobicContact CB-CE1 4.11Å; P4-F51 HydrophobicContact CG-CE1 4.14Å
5	C	55.4	Low	47	Very low	28 Å²	28	96.4 Å²	96.4	19%	0.189	55%	0.549	C	S	.	.			trans	-106.1	129	176.8	-167.4	0	0	0	0	107.3	V3 I7 F52	V3-C5 PolarHBondContact O-N 2.93Å; C5-I7 PolarHBondContact O-N 2.85Å; C5-F52 HydrophobicContact CB-CD2 4.33Å
6	N	47.4	Very low	46.5	Very low	131 Å²	131	102.2 Å²	102.2	70%	0.701	57%	0.57	S	S	*	*			trans	-56.4	141.3	159.4	-99.1	-36.7	0	0	0	107.2	G8 D9	N6-G8 PolarHBondContact O-N 2.84Å; N6-D9 PolarHBondContact O-N 3.34Å
7	I	43.4	Very low	46.3	Very low	85 Å²	85	98.6 Å²	98.6	44%	0.436	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.3	-3.6	-171.7	-69.1	164.2	0	0	0	113.1	C5 K34 Q38 A50	C5-I7 PolarHBondContact O-N 2.85Å; I7-K34 WeakPolarHBondContact O-CE 3.09Å; I7-K34 PolarHBondContact O-NZ 3.48Å; I7-Q38 VanDerWaalsContact CG2-NE2 3.3Å; I7-A50 HydrophobicContact CG1-CB 4.35Å
8	G	40.5	Very low	46.5	Very low	45 Å²	45	107.3 Å²	107.3	46%	0.464	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-35.4	179.5	0	0	0	0	0	118.9	N6	N6-G8 PolarHBondContact O-N 2.84Å
9	D	46.3	Very low	46.8	Very low	121 Å²	121	109.1 Å²	109.1	65%	0.647	58%	0.579	S	S	*	*			trans	-103.5	12.6	-141.4	-56.9	-35.5	0	0	0	118.1	N6	N6-D9 PolarHBondContact O-N 3.34Å
10	I	45.6	Very low	47	Very low	49 Å²	49	107 Å²	107	25%	0.251	57%	0.571	S	S	.	*			trans	-123.4	98	177.2	-63.3	167.7	0	0	0	110	V12 F52	I10-V12 HydrophobicContact CG2-CG2 4.38Å; I10-F52 HydrophobicContact CB-CD2 4.27Å; I10-F52 HydrophobicContact CB-CE2 4.15Å; I10-F52 HydrophobicContact CB-CZ 4.3Å; I10-F52 HydrophobicContact CD1-CB 3.34Å; I10-F52 HydrophobicContact CD1-CD1 4.16Å; I10-F52 HydrophobicContact CD1-CD2 3.42Å; I10-F52 VanDerWaalsContact CD1-CD2 3.42Å; I10-F52 HydrophobicContact CD1-CE2 4.16Å; I10-F52 HydrophobicContact CD1-CG 3.38Å; I10-F52 HydrophobicContact CG1-CD2 4.29Å; I10-F52 HydrophobicContact CG1-CG 4.49Å; I10-F52 HydrophobicContact CG2-CD1 4.47Å; I10-F52 HydrophobicContact CG2-CE1 4.4Å
11	D	44.1	Very low	47.2	Very low	129 Å²	129	109.9 Å²	109.9	69%	0.69	58%	0.579	S	S	*	*			trans	-88.6	109	172	-165.4	7.7	0	0	0	109.6	S13 N30	D11-S13 PolarHBondContact O-N 3.36Å; D11-N30 PolarHBondContact OD1-ND2 3.16Å
12	V	49.8	Very low	47.3	Very low	58 Å²	58	108.7 Å²	108.7	35%	0.352	56%	0.564	S	S	.	*			trans	-80.9	82.1	173.7	-174.1	0	0	0	0	106.9	I10 S14 N30	I10-V12 HydrophobicContact CG2-CG2 4.38Å; V12-S14 PolarHBondContact O-N 2.91Å; V12-N30 PolarHBondContact N-ND2 3.4Å; V12-N30 PolarHBondContact O-ND2 3.17Å
13	S	40	Very low	47.2	Very low	102 Å²	102	113 Å²	113	71%	0.713	58%	0.583	S	S	*	*			trans	-30.4	114	-178.3	177.1	0	0	0	0	113.9	D11	D11-S13 PolarHBondContact O-N 3.36Å
14	S	41.5	Very low	46.7	Very low	69 Å²	69	113.4 Å²	113.4	48%	0.483	58%	0.577	S	S	.	*			trans	-84.8	124.2	166.5	59.7	0	0	0	0	109.7	V12 E16	V12-S14 PolarHBondContact O-N 2.91Å; S14-E16 PolarHBondContact O-N 2.99Å; S14-E16 VanDerWaalsContact O-N 3.16Å
15	K	41.9	Very low	46	Very low	209 Å²	209	113.4 Å²	113.4	91%	0.909	56%	0.564	S	S	*	*			trans	-62.6	114.6	161.6	-75.6	-178.1	176.3	179.7	0	108.5	S17	K15-S17 PolarHBondContact O-N 3.15Å
16	E	38.8	Very low	45.8	Very low	189 Å²	189	114.7 Å²	114.7	88%	0.883	57%	0.574	S	S	*	*			trans	-60.9	128.3	175.9	-71.5	-160.1	146.2	0	0	111.2	S14	S14-E16 PolarHBondContact O-N 2.99Å; S14-E16 VanDerWaalsContact O-N 3.16Å
17	S	43.2	Very low	46	Very low	42 Å²	42	116.6 Å²	116.6	29%	0.294	57%	0.571	S	S	.	*			trans	-99.7	134	172.9	73	0	0	0	0	111.1	K15 F19	K15-S17 PolarHBondContact O-N 3.15Å; S17-F19 PolarHBondContact O-N 2.75Å
18	R	50.6	Low	46.8	Very low	255 Å²	255	116.3 Å²	116.3	96%	0.962	57%	0.573	S	S	*	*			trans	-67	16.7	-175.1	-66.4	-177.3	173.4	176	-2.5	117.2
19	F	52.6	Low	48.1	Very low	141 Å²	141	115.7 Å²	115.7	62%	0.618	56%	0.562	S	S	*	*	S	Bend	trans	-91.9	148.3	-175.2	-81	-79.6	0	0	0	114.1	S17 K24	S17-F19 PolarHBondContact O-N 2.75Å; F19-K24 WeakPolarHBondContact O-CE 3.09Å
20	P	50.7	Low	49.4	Very low	66 Å²	66	111.2 Å²	111.2	43%	0.429	54%	0.538	S	S	.	.			trans	-59.4	144.4	-179.3	-20.9	31.5	0	0	0	113.8	W22 L23	P20-W22 VanDerWaalsContact C-N 3.31Å; P20-W22 PolarHBondContact O-N 3.21Å; P20-L23 PolarHBondContact O-N 2.86Å
21	F	51	Low	51	Low	169 Å²	169	114.3 Å²	114.3	74%	0.741	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-62.3	-28.4	-167.2	106	-86.7	0	0	0	115.5	K24	F21-K24 VanDerWaalsContact O-CB 3.3Å; F21-K24 WeakPolarHBondContact O-CB 3.26Å; F21-K24 PolarHBondContact O-N 3.05Å
22	W	49.2	Very low	52.7	Low	178 Å²	178	113.6 Å²	113.6	67%	0.674	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-82.5	-15	-176.5	60.4	-76.7	0	0	0	113.9	P20	P20-W22 VanDerWaalsContact C-N 3.31Å; P20-W22 PolarHBondContact O-N 3.21Å
23	L	50.1	Low	54.3	Low	113 Å²	113	113.7 Å²	113.7	59%	0.592	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-93.3	0.6	167.3	-78.2	161.9	0	0	0	112.2	P20 W25	P20-L23 PolarHBondContact O-N 2.86Å; L23-W25 PolarHBondContact O-N 3.38Å; L23-W25 VanDerWaalsContact O-N 3.12Å
24	K	42.2	Very low	56.4	Low	104 Å²	104	110.8 Å²	110.8	45%	0.452	52%	0.523	S	S	.	.			trans	-78.4	98.4	178.2	-70	-177.8	-179.3	177.5	0	109.9	F19 F21 S26	F19-K24 WeakPolarHBondContact O-CE 3.09Å; F21-K24 VanDerWaalsContact O-CB 3.3Å; F21-K24 WeakPolarHBondContact O-CB 3.26Å; F21-K24 PolarHBondContact O-N 3.05Å; K24-S26 PolarHBondContact O-N 2.94Å; K24-S26 VanDerWaalsContact O-N 3.13Å
25	W	42.5	Very low	58.5	Low	98 Å²	98	110.6 Å²	110.6	37%	0.371	52%	0.522	S	S	.	.			trans	-54.3	114.9	131	-168.7	81	0	0	0	105.3	L23 R27 R231	L23-W25 PolarHBondContact O-N 3.38Å; L23-W25 VanDerWaalsContact O-N 3.12Å; W25-R27 VanDerWaalsContact C-N 3.34Å; W25-R27 HydrophobicContact CE3-CG 4.32Å; W25-R27 PolarHBondContact O-N 3.42Å; W25-R231 HydrophobicContact CD2-CB 4.48Å; W25-R231 HydrophobicContact CD2-CG 4.22Å; W25-R231 HydrophobicContact CE3-CG 4.45Å; W25-R231 HydrophobicContact CH2-CG 4.1Å; W25-R231 HydrophobicContact CZ2-CG 3.83Å; W25-R231 HydrophobicContact CZ3-CG 4.38Å
26	S	49.8	Very low	60.6	Low	56 Å²	56	103 Å²	103	39%	0.392	50%	0.498	S	S	.	.			trans	-60.3	104	178.7	-165.9	0	0	0	0	106.9	K24 T28	K24-S26 PolarHBondContact O-N 2.94Å; K24-S26 VanDerWaalsContact O-N 3.13Å; S26-T28 PolarHBondContact O-N 3.23Å
27	R	51.7	Low	63	Low	171 Å²	171	94.5 Å²	94.5	65%	0.645	46%	0.459	S	S	*	.	S	Bend	trans	-63.4	85.5	173.3	-74.6	-177.2	-175.3	-179.9	1.8	105.6	W25	W25-R27 VanDerWaalsContact C-N 3.34Å; W25-R27 HydrophobicContact CE3-CG 4.32Å; W25-R27 PolarHBondContact O-N 3.42Å
28	T	60	Low	65.1	Low	78 Å²	78	96.6 Å²	96.6	48%	0.479	46%	0.464	S	S	.	.			trans	49.9	88.6	178.4	54.9	0	0	0	0	114.1	S26	S26-T28 PolarHBondContact O-N 3.23Å
29	S	68.4	Low	66.9	Low	33 Å²	33	91 Å²	91	23%	0.231	45%	0.446	C	S	.	.			trans	-82.5	115.5	162	167.1	0	0	0	0	108.9	D31 L32 L33	S29-D31 PolarHBondContact O-N 3.27Å; S29-D31 PolarHBondContact OG-N 2.82Å; S29-L32 PolarHBondContact O-N 2.84Å; S29-L32 PolarHBondContact OG-N 3.33Å; S29-L32 VanDerWaalsContact OG-N 3.11Å; S29-L33 WeakPolarHBondContact O-CB 3.4Å; S29-L33 PolarHBondContact O-N 2.87Å
30	N	74.1	Confident	68.7	Low	26 Å²	26	86.4 Å²	86.4	14%	0.139	43%	0.428	C	S	.	.	H	α-helix	trans	-57.3	-36.7	173.1	-73.1	-37.7	0	0	0	111.1	D11 V12 L33 K34	D11-N30 PolarHBondContact OD1-ND2 3.16Å; V12-N30 PolarHBondContact N-ND2 3.4Å; V12-N30 PolarHBondContact O-ND2 3.17Å; N30-L33 PolarHBondContact O-N 2.84Å; N30-K34 WeakPolarHBondContact O-CB 3.29Å; N30-K34 PolarHBondContact O-N 3.1Å
31	D	78.2	Confident	70.5	Confident	115 Å²	115	84.2 Å²	84.2	62%	0.615	41%	0.413	S	S	*	.	H	α-helix	trans	-67	-43.3	178.5	-60.5	-41.9	0	0	0	112.8	S29 L33 K34 S35	S29-D31 PolarHBondContact O-N 3.27Å; S29-D31 PolarHBondContact OG-N 2.82Å; D31-L33 VanDerWaalsContact C-N 3.33Å; D31-K34 PolarHBondContact O-N 3.22Å; D31-S35 VanDerWaalsContact O-CB 3.3Å; D31-S35 WeakPolarHBondContact O-CB 3.17Å; D31-S35 PolarHBondContact O-N 3.17Å; D31-S35 PolarHBondContact O-OG 3.49Å
32	L	80.4	Confident	72.4	Confident	114 Å²	114	80.6 Å²	80.6	60%	0.597	41%	0.409	S	S	*	.	H	α-helix	trans	-65.5	-39.6	175.4	-69	-179.9	0	0	0	111.1	S29 S35 A36	S29-L32 PolarHBondContact O-N 2.84Å; S29-L32 PolarHBondContact OG-N 3.33Å; S29-L32 VanDerWaalsContact OG-N 3.11Å; L32-S35 PolarHBondContact O-N 3.39Å; L32-A36 WeakPolarHBondContact O-CB 3.44Å; L32-A36 PolarHBondContact O-N 2.82Å
33	L	82.3	Confident	74.3	Confident	59 Å²	59	75.5 Å²	75.5	31%	0.309	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-44	176.9	-177.2	60.7	0	0	0	111.4	S29 N30 D31 A36 E37 G125 R126	S29-L33 WeakPolarHBondContact O-CB 3.4Å; S29-L33 PolarHBondContact O-N 2.87Å; N30-L33 PolarHBondContact O-N 2.84Å; D31-L33 VanDerWaalsContact C-N 3.33Å; L33-A36 PolarHBondContact O-N 3.34Å; L33-E37 VanDerWaalsContact O-CB 3.26Å; L33-E37 WeakPolarHBondContact O-CB 3.33Å; L33-E37 PolarHBondContact O-N 3.04Å; L33-G125 VanDerWaalsContact CD2-O 3.26Å; L33-G125 WeakPolarHBondContact CD2-O 3.12Å; L33-R126 HydrophobicContact CD2-CG 3.52Å; L33-R126 HydrophobicContact CG-CG 3.77Å
34	K	85.4	Confident	76.3	Confident	41 Å²	41	71 Å²	71	18%	0.178	37%	0.366	C	S	.	.	H	α-helix	trans	-60.8	-44.4	173.7	177.8	178.1	171.2	176.5	0	111.6	I7 N30 D31 E37 Q38	I7-K34 WeakPolarHBondContact O-CE 3.09Å; I7-K34 PolarHBondContact O-NZ 3.48Å; N30-K34 WeakPolarHBondContact O-CB 3.29Å; N30-K34 PolarHBondContact O-N 3.1Å; D31-K34 PolarHBondContact O-N 3.22Å; K34-E37 PolarHBondContact O-N 3.34Å; K34-Q38 WeakPolarHBondContact O-CB 3.46Å; K34-Q38 VanDerWaalsContact O-CG 3.27Å; K34-Q38 WeakPolarHBondContact O-CG 3.49Å; K34-Q38 PolarHBondContact O-N 3.38Å
35	S	85.1	Confident	78.6	Confident	65 Å²	65	73.7 Å²	73.7	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-64	-41.8	177.1	-59.1	0	0	0	0	111.8	D31 L32 K39	D31-S35 VanDerWaalsContact O-CB 3.3Å; D31-S35 WeakPolarHBondContact O-CB 3.17Å; D31-S35 PolarHBondContact O-N 3.17Å; D31-S35 PolarHBondContact O-OG 3.49Å; L32-S35 PolarHBondContact O-N 3.39Å; S35-K39 VanDerWaalsContact O-CB 3.3Å; S35-K39 WeakPolarHBondContact O-CB 3.34Å; S35-K39 PolarHBondContact O-N 3.2Å
36	A	86.1	Confident	81	Confident	49 Å²	49	69.5 Å²	69.5	41%	0.405	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-44.4	176.4	0	0	0	0	0	111.9	L32 L33 K39 L40	L32-A36 WeakPolarHBondContact O-CB 3.44Å; L32-A36 PolarHBondContact O-N 2.82Å; L33-A36 PolarHBondContact O-N 3.34Å; A36-K39 PolarHBondContact O-N 3.26Å; A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 3.11Å
37	E	88.7	Confident	83	Confident	12 Å²	12	69.8 Å²	69.8	6%	0.056	36%	0.361	C	S	.	.	H	α-helix	trans	-56.9	-50.9	173.6	174.6	-179.3	96.9	0	0	111	L33 K34 K39 L40 L41 R63 F65 A101 R126	L33-E37 VanDerWaalsContact O-CB 3.26Å; L33-E37 WeakPolarHBondContact O-CB 3.33Å; L33-E37 PolarHBondContact O-N 3.04Å; K34-E37 PolarHBondContact O-N 3.34Å; E37-K39 PolarHBondContact O-N 2.9Å; E37-L40 PolarHBondContact O-N 3.38Å; E37-L41 HydrophobicContact CG-CD1 3.86Å; E37-L41 WeakPolarHBondContact O-CB 3.33Å; E37-L41 VanDerWaalsContact O-CG 3.32Å; E37-L41 WeakPolarHBondContact O-CG 3.36Å; E37-L41 PolarHBondContact O-N 3.49Å; E37-R63 IonicContact OE1-CZ 3.85Å; E37-R63 IonicContact OE1-NE 2.86Å; E37-R63 PolarHBondContact OE1-NE 2.77Å; E37-R63 VanDerWaalsContact OE1-NE 3.15Å; E37-R63 IonicContact OE1-NH2 2.84Å; E37-R63 PolarHBondContact OE1-NH2 2.77Å; E37-R63 IonicContact OE2-NE 3.79Å; E37-R63 PolarHBondContact OE2-NE 3.02Å; E37-F65 HydrophobicContact CG-CE2 4.39Å; E37-F65 HydrophobicContact CG-CZ 3.71Å; E37-A101 HydrophobicContact CG-CB 4.48Å; E37-R126 VanDerWaalsContact CD-CD 3.5Å; E37-R126 WeakPolarHBondContact OE1-CD 3.39Å; E37-R126 IonicContact OE1-CZ 3.06Å; E37-R126 IonicContact OE1-NH1 2.82Å; E37-R126 PolarHBondContact OE1-NH1 3.3Å; E37-R126 WeakPolarHBondContact OE2-CD 3.39Å
38	Q	88.6	Confident	85	Confident	85 Å²	85	65 Å²	65	40%	0.397	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-42.5	177	-75.7	174.6	-26.8	0	0	112.3	I7 K34 L40 L41 S42	I7-Q38 VanDerWaalsContact CG2-NE2 3.3Å; K34-Q38 WeakPolarHBondContact O-CB 3.46Å; K34-Q38 VanDerWaalsContact O-CG 3.27Å; K34-Q38 WeakPolarHBondContact O-CG 3.49Å; K34-Q38 PolarHBondContact O-N 3.38Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 3.43Å; Q38-L41 PolarHBondContact O-N 3.44Å; Q38-S42 WeakPolarHBondContact O-CB 3.41Å; Q38-S42 PolarHBondContact O-N 2.86Å
39	K	88.7	Confident	86.7	Confident	138 Å²	138	65.5 Å²	65.5	60%	0.6	35%	0.347	S	S	*	.	H	α-helix	trans	-63.8	-35.5	178.3	-177.2	179.2	-179.8	179.7	0	112.9	S35 A36 E37 S42	S35-K39 VanDerWaalsContact O-CB 3.3Å; S35-K39 WeakPolarHBondContact O-CB 3.34Å; S35-K39 PolarHBondContact O-N 3.2Å; A36-K39 PolarHBondContact O-N 3.26Å; E37-K39 PolarHBondContact O-N 2.9Å; K39-S42 PolarHBondContact O-OG 3.08Å
40	L	88.7	Confident	87.9	Confident	44 Å²	44	64.8 Å²	64.8	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-73.4	-43.3	176.2	-73.6	173.5	0	0	0	111	A36 E37 Q38 R43 A101 C104 F252	A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 3.11Å; E37-L40 PolarHBondContact O-N 3.38Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 3.43Å; L40-R43 WeakPolarHBondContact O-CB 3.43Å; L40-R43 PolarHBondContact O-N 3.07Å; L40-A101 HydrophobicContact CB-CB 3.8Å; L40-A101 HydrophobicContact CD1-CB 3.76Å; L40-A101 HydrophobicContact CG-CB 4.45Å; L40-C104 WeakPolarHBondContact O-CB 3.45Å; L40-F252 HydrophobicContact CD2-CD1 3.89Å; L40-F252 HydrophobicContact CD2-CE1 4.18Å; L40-F252 HydrophobicContact CD2-CG 4.41Å
41	L	90.3	Very high	88.9	Confident	20 Å²	20	64.2 Å²	64.2	11%	0.105	34%	0.34	C	S	.	.	H	α-helix	trans	-75.6	-22.7	-177.7	-67.3	173.9	0	0	0	113.8	E37 Q38 R43 V44 F65 F67 A101 I107	E37-L41 HydrophobicContact CG-CD1 3.86Å; E37-L41 WeakPolarHBondContact O-CB 3.33Å; E37-L41 VanDerWaalsContact O-CG 3.32Å; E37-L41 WeakPolarHBondContact O-CG 3.36Å; E37-L41 PolarHBondContact O-N 3.49Å; Q38-L41 PolarHBondContact O-N 3.44Å; L41-R43 PolarHBondContact O-N 3.26Å; L41-V44 HydrophobicContact CD2-CG2 4.26Å; L41-V44 WeakPolarHBondContact O-CB 3.36Å; L41-V44 PolarHBondContact O-N 3.17Å; L41-F65 HydrophobicContact CD1-CD1 3.77Å; L41-F65 HydrophobicContact CD1-CE1 3.1Å; L41-F65 HydrophobicContact CD1-CE2 4.05Å; L41-F65 HydrophobicContact CD1-CG 4.41Å; L41-F65 HydrophobicContact CD1-CZ 3.25Å; L41-F67 HydrophobicContact CD2-CE1 3.95Å; L41-F67 HydrophobicContact CD2-CZ 3.76Å; L41-A101 HydrophobicContact CD2-CB 4.26Å; L41-A101 HydrophobicContact CG-CB 4.1Å; L41-I107 HydrophobicContact CD2-CD1 4.4Å
42	S	90.5	Very high	89.7	Confident	94 Å²	94	59.4 Å²	59.4	66%	0.657	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.7	173.6	68.6	0	0	0	0	113.7	Q38 K39	Q38-S42 WeakPolarHBondContact O-CB 3.41Å; Q38-S42 PolarHBondContact O-N 2.86Å; K39-S42 PolarHBondContact O-OG 3.08Å
43	R	88.2	Confident	90.4	Very high	70 Å²	70	54 Å²	54	26%	0.264	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-13	175.6	-60.5	175.5	173.7	149.2	-10	113.4	L40 L41 F252	L40-R43 WeakPolarHBondContact O-CB 3.43Å; L40-R43 PolarHBondContact O-N 3.07Å; L41-R43 PolarHBondContact O-N 3.26Å; R43-F252 PolarHBondContact NH1-O 2.8Å; R43-F252 PolarHBondContact NH2-O 2.87Å
44	V	91.5	Very high	91	Very high	18 Å²	18	53.1 Å²	53.1	11%	0.109	28%	0.283	C	S	.	.			trans	-79.6	130.7	177.5	177.3	0	0	0	0	108.3	L41 F67 C104 I107 D108	L41-V44 HydrophobicContact CD2-CG2 4.26Å; L41-V44 WeakPolarHBondContact O-CB 3.36Å; L41-V44 PolarHBondContact O-N 3.17Å; V44-F67 HydrophobicContact CG1-CD1 3.89Å; V44-F67 HydrophobicContact CG1-CE1 4.12Å; V44-F67 HydrophobicContact CG2-CE1 4.48Å; V44-C104 HydrophobicContact CG2-CB 4.1Å; V44-I107 HydrophobicContact CG1-CB 4.3Å; V44-I107 HydrophobicContact CG1-CG2 3.58Å; V44-I107 HydrophobicContact CG2-CB 4.34Å; V44-I107 HydrophobicContact CG2-CD1 4.05Å; V44-I107 HydrophobicContact CG2-CG2 4.41Å; V44-D108 WeakPolarHBondContact CG1-OD1 3.2Å
45	K	92.2	Very high	91.5	Very high	161 Å²	161	51.3 Å²	51.3	70%	0.7	28%	0.275	S	S	*	.			trans	-90.4	-25.6	-179.5	-61.1	-179.6	-178.2	-179.3	0	113.1	N70 D108	K45-N70 PolarHBondContact O-ND2 3.15Å; K45-D108 PolarHBondContact N-OD1 3.15Å; K45-D108 PolarHBondContact N-OD2 3.45Å; K45-D108 VanDerWaalsContact N-OD2 3.14Å
46	S	91.6	Very high	92	Very high	10 Å²	10	50.5 Å²	50.5	7%	0.07	26%	0.264	C	S	.	.	S	Bend	trans	-61.6	150	176.1	-58.9	0	0	0	0	111.8	V48 R68 D108 A111	S46-V48 PolarHBondContact O-N 3.32Å; S46-R68 CarbonylContact C-O 3.5Å; S46-R68 VanDerWaalsContact CB-O 3.28Å; S46-R68 WeakPolarHBondContact CB-O 3.15Å; S46-D108 WeakPolarHBondContact CB-OD1 2.85Å; S46-D108 PolarHBondContact N-OD1 3.25Å; S46-D108 PolarHBondContact OG-OD1 3.28Å; S46-A111 VanDerWaalsContact OG-CB 3.23Å; S46-A111 WeakPolarHBondContact OG-CB 3.31Å
47	D	93	Very high	92.2	Very high	63 Å²	63	56.5 Å²	56.5	34%	0.337	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	131.7	173.3	-69.4	-17.2	0	0	0	109	F67 R68	D47-F67 CarbonylContact O-C 3.56Å; D47-F67 WeakPolarHBondContact O-CA 3.3Å; D47-R68 PolarHBondContact N-O 2.86Å; D47-R68 PolarHBondContact O-N 2.9Å
48	V	93.8	Very high	92.3	Very high	71 Å²	71	57.2 Å²	57.2	43%	0.43	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.1	-176.4	60	0	0	0	0	111.4	S46 F65 V66 F67	S46-V48 PolarHBondContact O-N 3.32Å; V48-F65 HydrophobicContact CG2-CB 4.45Å; V48-F65 HydrophobicContact CG2-CD1 3.83Å; V48-V66 WeakPolarHBondContact CA-O 2.92Å; V48-F67 HydrophobicContact CB-CD1 3.69Å; V48-F67 HydrophobicContact CB-CE1 3.79Å; V48-F67 HydrophobicContact CG2-CD1 3.62Å; V48-F67 HydrophobicContact CG2-CE1 3.3Å; V48-F67 HydrophobicContact CG2-CZ 4.05Å
49	E	94	Very high	92.5	Very high	88 Å²	88	57.4 Å²	57.4	41%	0.411	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.1	167.5	-66.7	179.7	-101.8	0	0	110.1	F51 F65 V66 R68	E49-F51 HydrophobicContact CB-CE2 3.47Å; E49-F51 VanDerWaalsContact CB-CE2 3.47Å; E49-F51 HydrophobicContact CB-CZ 3.73Å; E49-F65 CarbonylContact O-C 3.56Å; E49-F65 VanDerWaalsContact O-CA 3.26Å; E49-F65 WeakPolarHBondContact O-CA 3.17Å; E49-V66 HydrophobicContact CB-CB 4.47Å; E49-V66 PolarHBondContact N-O 3.19Å; E49-V66 PolarHBondContact O-N 3.08Å; E49-R68 IonicContact OE1-CZ 3.85Å; E49-R68 IonicContact OE1-NH1 3.86Å; E49-R68 PolarHBondContact OE1-NH1 2.93Å; E49-R68 IonicContact OE1-NH2 3.62Å
50	A	94.1	Very high	92.7	Very high	18 Å²	18	51.2 Å²	51.2	15%	0.149	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.8	-174.7	0	0	0	0	0	110.8	I7 R63 F65	I7-A50 HydrophobicContact CG1-CB 4.35Å; A50-R63 VanDerWaalsContact CB-NH1 3.34Å; A50-F65 HydrophobicContact CB-CD1 4.09Å; A50-F65 HydrophobicContact CB-CE1 4.05Å
51	F	95	Very high	93	Very high	14 Å²	14	53.4 Å²	53.4	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.5	-176.6	-53.9	-91.4	0	0	0	111.5	A2 P4 E49 V53 R63 T64 V66 F154	A2-F51 HydrophobicContact CB-CD1 4.23Å; P4-F51 HydrophobicContact CB-CE1 4.11Å; P4-F51 HydrophobicContact CG-CE1 4.14Å; E49-F51 HydrophobicContact CB-CE2 3.47Å; E49-F51 VanDerWaalsContact CB-CE2 3.47Å; E49-F51 HydrophobicContact CB-CZ 3.73Å; F51-V53 HydrophobicContact CB-CG2 4.15Å; F51-R63 PolarHBondContact O-NH1 3.08Å; F51-T64 PolarHBondContact N-O 2.91Å; F51-T64 PolarHBondContact O-N 2.91Å; F51-V66 HydrophobicContact CD2-CG2 4.03Å; F51-V66 HydrophobicContact CE2-CB 4.18Å; F51-V66 HydrophobicContact CE2-CG2 3.65Å; F51-F154 HydrophobicContact CB-CZ 4.42Å; F51-F154 HydrophobicContact CD2-CE1 4.31Å; F51-F154 AromaticContact CD2-CZ 3.98Å; F51-F154 HydrophobicContact CD2-CZ 3.98Å; F51-F154 HydrophobicContact CE2-CE1 4.37Å; F51-F154 HydrophobicContact CE2-CZ 4.47Å; F51-F154 HydrophobicContact CG-CZ 4.13Å
52	F	94.6	Very high	93.3	Very high	13 Å²	13	52.5 Å²	52.5	6%	0.057	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	108.9	157.4	-76.5	-90.2	0	0	0	107.6	C5 I10 P54 Y61 R63 R126	C5-F52 HydrophobicContact CB-CD2 4.33Å; I10-F52 HydrophobicContact CB-CD2 4.27Å; I10-F52 HydrophobicContact CB-CE2 4.15Å; I10-F52 HydrophobicContact CB-CZ 4.3Å; I10-F52 HydrophobicContact CD1-CB 3.34Å; I10-F52 HydrophobicContact CD1-CD1 4.16Å; I10-F52 HydrophobicContact CD1-CD2 3.42Å; I10-F52 VanDerWaalsContact CD1-CD2 3.42Å; I10-F52 HydrophobicContact CD1-CE2 4.16Å; I10-F52 HydrophobicContact CD1-CG 3.38Å; I10-F52 HydrophobicContact CG1-CD2 4.29Å; I10-F52 HydrophobicContact CG1-CG 4.49Å; I10-F52 HydrophobicContact CG2-CD1 4.47Å; I10-F52 HydrophobicContact CG2-CE1 4.4Å; F52-P54 WeakPolarHBondContact O-CD 3.39Å; F52-Y61 HydrophobicContact CB-CD1 4.39Å; F52-R63 HydrophobicContact CD1-CB 4.41Å; F52-R63 HydrophobicContact CE1-CB 4.16Å; F52-R63 VanDerWaalsContact CZ-CD 3.49Å; F52-R126 HydrophobicContact CE1-CB 4.22Å; F52-R126 WeakPolarHBondContact CE1-O 3.38Å; F52-R126 HydrophobicContact CZ-CB 4.32Å
53	V	95.4	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.9	-173.5	-177.8	0	0	0	0	108.7	A2 F51 I55 Y61 I62 T64 S153 F154	A2-V53 HydrophobicContact CB-CG2 4.31Å; F51-V53 HydrophobicContact CB-CG2 4.15Å; V53-I55 PolarHBondContact O-N 2.97Å; V53-Y61 CarbonylContact O-C 3.53Å; V53-Y61 VanDerWaalsContact O-CA 3.29Å; V53-Y61 WeakPolarHBondContact O-CA 3.32Å; V53-I62 HydrophobicContact CB-CB 4.46Å; V53-I62 PolarHBondContact N-O 2.96Å; V53-I62 PolarHBondContact O-N 3.45Å; V53-T64 WeakPolarHBondContact CG2-OG1 3.23Å; V53-S153 VanDerWaalsContact CG1-CB 3.43Å; V53-F154 HydrophobicContact CG2-CD2 4.48Å; V53-F154 HydrophobicContact CG2-CE2 3.53Å; V53-F154 HydrophobicContact CG2-CZ 3.88Å
54	P	95.8	Very high	94	Very high	42 Å²	42	45 Å²	45	27%	0.273	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	133.8	176.8	27.8	-33.2	0	0	0	110.1	F52 C60 Y61	F52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-C60 WeakPolarHBondContact CA-O 3.5Å; P54-Y61 HydrophobicContact CB-CD1 4.08Å; P54-Y61 HydrophobicContact CB-CE1 3.88Å
55	I	94.9	Very high	94.2	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	167.2	172.2	61.8	165.2	0	0	0	108.9	V53 N57 G58 S59 C60 I62 L122 Q149 W150	V53-I55 PolarHBondContact O-N 2.97Å; I55-N57 VanDerWaalsContact C-N 3.33Å; I55-N57 PolarHBondContact O-N 2.62Å; I55-G58 PolarHBondContact O-N 3.12Å; I55-S59 PolarHBondContact O-N 2.95Å; I55-C60 HydrophobicContact CD1-CB 4.14Å; I55-C60 HydrophobicContact CG1-CB 3.71Å; I55-C60 PolarHBondContact N-O 3.12Å; I55-C60 PolarHBondContact O-N 2.97Å; I55-C60 VanDerWaalsContact O-O 3.1Å; I55-I62 HydrophobicContact CD1-CD1 3.78Å; I55-I62 HydrophobicContact CD1-CG1 3.67Å; I55-I62 HydrophobicContact CG1-CG1 4.18Å; I55-I62 HydrophobicContact CG2-CG1 4.12Å; I55-L122 HydrophobicContact CD1-CD1 4.25Å; I55-Q149 HydrophobicContact CB-CB 4.14Å; I55-Q149 HydrophobicContact CG2-CB 3.83Å; I55-W150 HydrophobicContact CG2-CB 4.49Å
56	F	95.3	Very high	94.4	Very high	47 Å²	47	36.7 Å²	36.7	21%	0.206	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	50.3	53.4	-178.4	-56.5	-53.4	0	0	0	111.6	G58 S59 C60 L122 K142 E145	F56-G58 PolarHBondContact O-N 3.04Å; F56-S59 VanDerWaalsContact CB-OG 3.22Å; F56-S59 WeakPolarHBondContact CB-OG 3.39Å; F56-S59 WeakPolarHBondContact O-CB 3.44Å; F56-S59 PolarHBondContact O-N 2.73Å; F56-S59 VanDerWaalsContact O-N 3.09Å; F56-S59 PolarHBondContact O-OG 3.07Å; F56-C60 HydrophobicContact CD2-CB 4.04Å; F56-L122 HydrophobicContact CE2-CD2 3.95Å; F56-K142 HydrophobicContact CE2-CG 4.5Å; F56-K142 HydrophobicContact CZ-CG 4.21Å; F56-E145 HydrophobicContact CE1-CB 4.37Å; F56-E145 HydrophobicContact CE1-CG 3.63Å; F56-E145 HydrophobicContact CZ-CB 4.48Å; F56-E145 HydrophobicContact CZ-CG 4.19Å
57	N	92.1	Very high	94.6	Very high	176 Å²	176	36.2 Å²	36.2	94%	0.941	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	53.6	35.5	-177.3	-61	-13.4	0	0	0	113.8	I55 S59	I55-N57 VanDerWaalsContact C-N 3.33Å; I55-N57 PolarHBondContact O-N 2.62Å; N57-S59 VanDerWaalsContact C-N 3.32Å; N57-S59 PolarHBondContact O-N 2.77Å
58	G	91	Very high	94.6	Very high	27 Å²	27	36.5 Å²	36.5	28%	0.278	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	82.6	2.5	178.2	0	0	0	0	0	114.9	I55 F56 C60 Y61	I55-G58 PolarHBondContact O-N 3.12Å; F56-G58 PolarHBondContact O-N 3.04Å; G58-C60 PolarHBondContact O-N 3.33Å; G58-Y61 PolarHBondContact O-OH 3.5Å
59	S	92.1	Very high	94.3	Very high	88 Å²	88	35.3 Å²	35.3	62%	0.615	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.4	174.8	65.5	0	0	0	0	113.3	I55 F56 N57	I55-S59 PolarHBondContact O-N 2.95Å; F56-S59 VanDerWaalsContact CB-OG 3.22Å; F56-S59 WeakPolarHBondContact CB-OG 3.39Å; F56-S59 WeakPolarHBondContact O-CB 3.44Å; F56-S59 PolarHBondContact O-N 2.73Å; F56-S59 VanDerWaalsContact O-N 3.09Å; F56-S59 PolarHBondContact O-OG 3.07Å; N57-S59 VanDerWaalsContact C-N 3.32Å; N57-S59 PolarHBondContact O-N 2.77Å
60	C	92.9	Very high	93.8	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.054	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.8	176.6	-75.4	0	0	0	0	110.8	P54 I55 F56 G58 L122 S128	P54-C60 WeakPolarHBondContact CA-O 3.5Å; I55-C60 HydrophobicContact CD1-CB 4.14Å; I55-C60 HydrophobicContact CG1-CB 3.71Å; I55-C60 PolarHBondContact N-O 3.12Å; I55-C60 PolarHBondContact O-N 2.97Å; I55-C60 VanDerWaalsContact O-O 3.1Å; F56-C60 HydrophobicContact CD2-CB 4.04Å; G58-C60 PolarHBondContact O-N 3.33Å; C60-L122 HydrophobicContact CB-CD1 4.14Å; C60-S128 WeakPolarHBondContact CA-OG 3.43Å
61	Y	95.2	Very high	92.8	Very high	90 Å²	90	40.9 Å²	40.9	35%	0.353	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.8	178.2	-58.6	-89.8	0	0	0	110.8	F52 V53 P54 G58 S127 S128	F52-Y61 HydrophobicContact CB-CD1 4.39Å; V53-Y61 CarbonylContact O-C 3.53Å; V53-Y61 VanDerWaalsContact O-CA 3.29Å; V53-Y61 WeakPolarHBondContact O-CA 3.32Å; P54-Y61 HydrophobicContact CB-CD1 4.08Å; P54-Y61 HydrophobicContact CB-CE1 3.88Å; G58-Y61 PolarHBondContact O-OH 3.5Å; Y61-S127 WeakPolarHBondContact O-CA 3.29Å; Y61-S128 PolarHBondContact N-OG 2.68Å; Y61-S128 PolarHBondContact O-N 3.46Å
62	I	96.3	Very high	91.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.2	172.3	-60.5	-61.1	0	0	0	109.5	V53 I55 T64 L119 L122 S127 W150	V53-I62 HydrophobicContact CB-CB 4.46Å; V53-I62 PolarHBondContact N-O 2.96Å; V53-I62 PolarHBondContact O-N 3.45Å; I55-I62 HydrophobicContact CD1-CD1 3.78Å; I55-I62 HydrophobicContact CD1-CG1 3.67Å; I55-I62 HydrophobicContact CG1-CG1 4.18Å; I55-I62 HydrophobicContact CG2-CG1 4.12Å; I62-T64 PolarHBondContact O-N 2.61Å; I62-T64 PolarHBondContact O-OG1 2.68Å; I62-L119 HydrophobicContact CG2-CB 3.78Å; I62-L119 HydrophobicContact CG2-CD1 4.29Å; I62-L122 HydrophobicContact CD1-CB 4.14Å; I62-L122 HydrophobicContact CD1-CD1 4.02Å; I62-S127 WeakPolarHBondContact CA-OG 3.18Å; I62-W150 HydrophobicContact CG2-CG 4.22Å
63	R	95.1	Very high	90.3	Very high	6 Å²	6	51.8 Å²	51.8	2%	0.023	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.9	171.5	178.7	73.6	175.7	96.6	-9.1	108.5	E37 A50 F51 F52 F65 L119 D120 R126 S127	E37-R63 IonicContact OE1-CZ 3.85Å; E37-R63 IonicContact OE1-NE 2.86Å; E37-R63 PolarHBondContact OE1-NE 2.77Å; E37-R63 VanDerWaalsContact OE1-NE 3.15Å; E37-R63 IonicContact OE1-NH2 2.84Å; E37-R63 PolarHBondContact OE1-NH2 2.77Å; E37-R63 IonicContact OE2-NE 3.79Å; E37-R63 PolarHBondContact OE2-NE 3.02Å; A50-R63 VanDerWaalsContact CB-NH1 3.34Å; F51-R63 PolarHBondContact O-NH1 3.08Å; F52-R63 HydrophobicContact CD1-CB 4.41Å; F52-R63 HydrophobicContact CE1-CB 4.16Å; F52-R63 VanDerWaalsContact CZ-CD 3.49Å; R63-F65 HydrophobicContact CG-CE2 4.19Å; R63-L119 CarbonylContact O-C 3.55Å; R63-L119 WeakPolarHBondContact O-CA 3.5Å; R63-D120 HydrophobicContact CB-CB 3.97Å; R63-D120 WeakPolarHBondContact CB-OD2 3.46Å; R63-D120 PolarHBondContact O-N 2.85Å; R63-R126 HydrophobicContact CB-CB 3.97Å; R63-R126 HydrophobicContact CG-CB 3.89Å; R63-S127 PolarHBondContact N-OG 2.83Å
64	T	97.1	Very high	88.4	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.5	-174.7	-50.3	0	0	0	0	111.7	F51 V53 I62 S118 W150 F154	F51-T64 PolarHBondContact N-O 2.91Å; F51-T64 PolarHBondContact O-N 2.91Å; V53-T64 WeakPolarHBondContact CG2-OG1 3.23Å; I62-T64 PolarHBondContact O-N 2.61Å; I62-T64 PolarHBondContact O-OG1 2.68Å; T64-S118 CarbonylContact C-O 3.6Å; T64-S118 WeakPolarHBondContact CA-O 2.95Å; T64-S118 WeakPolarHBondContact CG2-O 3.35Å; T64-W150 HydrophobicContact CG2-CZ2 3.76Å; T64-W150 VanDerWaalsContact CG2-NE1 3.35Å; T64-W150 PolarHBondContact OG1-NE1 3.13Å; T64-F154 HydrophobicContact CG2-CE2 3.73Å; T64-F154 HydrophobicContact CG2-CZ 3.93Å
65	F	96.6	Very high	86.6	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.7	166.8	-59.2	-89.7	0	0	0	110.9	E37 L41 V48 E49 A50 R63 F67 Y117 S118	E37-F65 HydrophobicContact CG-CE2 4.39Å; E37-F65 HydrophobicContact CG-CZ 3.71Å; L41-F65 HydrophobicContact CD1-CD1 3.77Å; L41-F65 HydrophobicContact CD1-CE1 3.1Å; L41-F65 HydrophobicContact CD1-CE2 4.05Å; L41-F65 HydrophobicContact CD1-CG 4.41Å; L41-F65 HydrophobicContact CD1-CZ 3.25Å; V48-F65 HydrophobicContact CG2-CB 4.45Å; V48-F65 HydrophobicContact CG2-CD1 3.83Å; E49-F65 CarbonylContact O-C 3.56Å; E49-F65 VanDerWaalsContact O-CA 3.26Å; E49-F65 WeakPolarHBondContact O-CA 3.17Å; A50-F65 HydrophobicContact CB-CD1 4.09Å; A50-F65 HydrophobicContact CB-CE1 4.05Å; R63-F65 HydrophobicContact CG-CE2 4.19Å; F65-F67 HydrophobicContact CB-CD2 4.27Å; F65-F67 HydrophobicContact CB-CE1 4.32Å; F65-F67 HydrophobicContact CB-CE2 3.43Å; F65-F67 VanDerWaalsContact CB-CE2 3.43Å; F65-F67 HydrophobicContact CB-CZ 3.45Å; F65-F67 VanDerWaalsContact CB-CZ 3.45Å; F65-F67 HydrophobicContact CD1-CZ 4.39Å; F65-F67 HydrophobicContact CG-CE2 4.37Å; F65-F67 AromaticContact CG-CZ 3.98Å; F65-F67 HydrophobicContact CG-CZ 3.98Å; F65-Y117 WeakPolarHBondContact O-CA 3.46Å; F65-S118 PolarHBondContact N-O 2.83Å; F65-S118 PolarHBondContact O-N 3.4Å
66	V	96.5	Very high	84.5	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.7	171.3	-173.2	0	0	0	0	107.4	V48 E49 F51 V116 Y117 F154	V48-V66 WeakPolarHBondContact CA-O 2.92Å; E49-V66 HydrophobicContact CB-CB 4.47Å; E49-V66 PolarHBondContact N-O 3.19Å; E49-V66 PolarHBondContact O-N 3.08Å; F51-V66 HydrophobicContact CD2-CG2 4.03Å; F51-V66 HydrophobicContact CE2-CB 4.18Å; F51-V66 HydrophobicContact CE2-CG2 3.65Å; V66-V116 CarbonylContact C-O 3.58Å; V66-V116 WeakPolarHBondContact CA-O 3.5Å; V66-Y117 HydrophobicContact CB-CE1 4.37Å; V66-Y117 HydrophobicContact CG1-CD1 4.43Å; V66-Y117 HydrophobicContact CG1-CE1 4.01Å; V66-Y117 HydrophobicContact CG1-CE2 4.19Å; V66-Y117 HydrophobicContact CG2-CD1 3.6Å; V66-Y117 HydrophobicContact CG2-CE1 3.44Å; V66-Y117 VanDerWaalsContact CG2-CE1 3.44Å; V66-Y117 HydrophobicContact CG2-CG 4.43Å; V66-F154 HydrophobicContact CG2-CE1 4.07Å; V66-F154 HydrophobicContact CG2-CZ 4.19Å
67	F	95.5	Very high	82.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.8	177.4	-47.4	-92.7	0	0	0	110.1	L41 V44 D47 V48 F65 I107 A111 V116 S118	L41-F67 HydrophobicContact CD2-CE1 3.95Å; L41-F67 HydrophobicContact CD2-CZ 3.76Å; V44-F67 HydrophobicContact CG1-CD1 3.89Å; V44-F67 HydrophobicContact CG1-CE1 4.12Å; V44-F67 HydrophobicContact CG2-CE1 4.48Å; D47-F67 CarbonylContact O-C 3.56Å; D47-F67 WeakPolarHBondContact O-CA 3.3Å; V48-F67 HydrophobicContact CB-CD1 3.69Å; V48-F67 HydrophobicContact CB-CE1 3.79Å; V48-F67 HydrophobicContact CG2-CD1 3.62Å; V48-F67 HydrophobicContact CG2-CE1 3.3Å; V48-F67 HydrophobicContact CG2-CZ 4.05Å; F65-F67 HydrophobicContact CB-CD2 4.27Å; F65-F67 HydrophobicContact CB-CE1 4.32Å; F65-F67 HydrophobicContact CB-CE2 3.43Å; F65-F67 VanDerWaalsContact CB-CE2 3.43Å; F65-F67 HydrophobicContact CB-CZ 3.45Å; F65-F67 VanDerWaalsContact CB-CZ 3.45Å; F65-F67 HydrophobicContact CD1-CZ 4.39Å; F65-F67 HydrophobicContact CG-CE2 4.37Å; F65-F67 AromaticContact CG-CZ 3.98Å; F65-F67 HydrophobicContact CG-CZ 3.98Å; F67-I107 HydrophobicContact CB-CG2 3.66Å; F67-I107 HydrophobicContact CD1-CD1 4.36Å; F67-I107 HydrophobicContact CD1-CG2 3.57Å; F67-I107 HydrophobicContact CD2-CD1 4.04Å; F67-I107 HydrophobicContact CD2-CG1 4.08Å; F67-I107 HydrophobicContact CD2-CG2 3.79Å; F67-I107 HydrophobicContact CE1-CD1 3.8Å; F67-I107 HydrophobicContact CE1-CG2 4.1Å; F67-I107 HydrophobicContact CE2-CD1 3.44Å; F67-I107 VanDerWaalsContact CE2-CD1 3.44Å; F67-I107 HydrophobicContact CE2-CG1 3.94Å; F67-I107 HydrophobicContact CE2-CG2 4.31Å; F67-I107 HydrophobicContact CG-CD1 4.47Å; F67-I107 HydrophobicContact CG-CG1 4.48Å; F67-I107 HydrophobicContact CG-CG2 3.39Å; F67-I107 HydrophobicContact CZ-CD1 3.31Å; F67-I107 HydrophobicContact CZ-CG1 4.24Å; F67-I107 HydrophobicContact CZ-CG2 4.46Å; F67-A111 HydrophobicContact CB-CB 4.44Å; F67-V116 HydrophobicContact CB-CB 4.15Å; F67-V116 HydrophobicContact CD2-CB 4.21Å; F67-V116 HydrophobicContact CD2-CG1 4.13Å; F67-V116 PolarHBondContact N-O 3.22Å; F67-V116 PolarHBondContact O-N 3.02Å; F67-S118 WeakPolarHBondContact CE2-OG 3.42Å
68	R	93.5	Very high	80.3	Confident	69 Å²	69	68.8 Å²	68.8	26%	0.26	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.8	173.9	-64.1	-171.3	-168.5	79.8	-7.5	109.6	S46 D47 E49 N70 P115	S46-R68 CarbonylContact C-O 3.5Å; S46-R68 VanDerWaalsContact CB-O 3.28Å; S46-R68 WeakPolarHBondContact CB-O 3.15Å; D47-R68 PolarHBondContact N-O 2.86Å; D47-R68 PolarHBondContact O-N 2.9Å; E49-R68 IonicContact OE1-CZ 3.85Å; E49-R68 IonicContact OE1-NH1 3.86Å; E49-R68 PolarHBondContact OE1-NH1 2.93Å; E49-R68 IonicContact OE1-NH2 3.62Å; R68-N70 PolarHBondContact O-N 3.37Å; R68-P115 HydrophobicContact CG-CB 4.49Å
69	R	88	Confident	78.5	Confident	46 Å²	46	72.2 Å²	72.2	17%	0.174	38%	0.383	C	S	.	.			trans	-54.1	135.8	175.8	-177.6	171.3	168.8	-167.1	-15.7	110.2	K71 D73 I75 A111	R69-K71 PolarHBondContact O-N 2.98Å; R69-D73 PolarHBondContact NH2-O 2.59Å; R69-I75 VanDerWaalsContact NH2-CG1 3.27Å; R69-A111 WeakPolarHBondContact CB-O 3.43Å
70	N	82.4	Confident	76.6	Confident	36 Å²	36	76.8 Å²	76.8	19%	0.193	39%	0.392	C	S	.	.			trans	-61.9	126.2	176.2	-170.2	-44.5	0	0	0	109.6	K45 R68 F72 D73	K45-N70 PolarHBondContact O-ND2 3.15Å; R68-N70 PolarHBondContact O-N 3.37Å; N70-F72 PolarHBondContact O-N 3Å; N70-F72 VanDerWaalsContact O-N 3.11Å; N70-F72 WeakPolarHBondContact OD1-CB 3.25Å; N70-F72 WeakPolarHBondContact OD1-CD2 3.47Å; N70-F72 PolarHBondContact OD1-N 2.82Å; N70-D73 WeakPolarHBondContact O-CB 3.3Å; N70-D73 PolarHBondContact O-N 3Å
71	K	72.7	Confident	74.8	Confident	186 Å²	186	82 Å²	82	81%	0.809	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.2	-179	-66.6	-179.1	-177.8	176.8	0	113.4	R69	R69-K71 PolarHBondContact O-N 2.98Å
72	F	71	Confident	72.8	Confident	178 Å²	178	82.9 Å²	82.9	78%	0.781	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-9	179	-62.1	-75.7	0	0	0	114	N70 Q74	N70-F72 PolarHBondContact O-N 3Å; N70-F72 VanDerWaalsContact O-N 3.11Å; N70-F72 WeakPolarHBondContact OD1-CB 3.25Å; N70-F72 WeakPolarHBondContact OD1-CD2 3.47Å; N70-F72 PolarHBondContact OD1-N 2.82Å; F72-Q74 VanDerWaalsContact C-N 3.32Å; F72-Q74 PolarHBondContact O-N 2.64Å
73	D	67.2	Low	71.6	Confident	78 Å²	78	87.4 Å²	87.4	42%	0.417	46%	0.457	S	S	.	.			trans	-71.1	89.6	174.1	-79.7	-23.2	0	0	0	109.5	R69 N70 I75	R69-D73 PolarHBondContact NH2-O 2.59Å; N70-D73 WeakPolarHBondContact O-CB 3.3Å; N70-D73 PolarHBondContact O-N 3Å; D73-I75 PolarHBondContact O-N 2.89Å
74	Q	55.4	Low	70.7	Confident	194 Å²	194	88.8 Å²	88.8	91%	0.907	46%	0.464	S	S	*	.			trans	-69.7	75.1	170.4	-65.1	-167.7	29.6	0	0	110.1	F72 S76	F72-Q74 VanDerWaalsContact C-N 3.32Å; F72-Q74 PolarHBondContact O-N 2.64Å; Q74-S76 PolarHBondContact O-N 3.3Å
75	I	57.5	Low	69.7	Low	91 Å²	91	93.6 Å²	93.6	47%	0.467	49%	0.49	S	S	.	.			trans	-72.3	120.4	158.7	-57.6	176	0	0	0	105.9	R69 D73	R69-I75 VanDerWaalsContact NH2-CG1 3.27Å; D73-I75 PolarHBondContact O-N 2.89Å
76	S	51.1	Low	68.9	Low	89 Å²	89	103.2 Å²	103.2	62%	0.622	53%	0.526	S	S	*	.			trans	-31.2	132.4	175.3	15.6	0	0	0	0	113.1	Q74 T78	Q74-S76 PolarHBondContact O-N 3.3Å; S76-T78 PolarHBondContact O-N 3.09Å
77	S	46.3	Very low	68.7	Low	114 Å²	114	104.6 Å²	104.6	80%	0.797	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	36.7	-169.5	-48.1	0	0	0	0	117.6
78	T	53.8	Low	68.6	Low	138 Å²	138	108.3 Å²	108.3	85%	0.847	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	-6.6	-178.9	45.3	0	0	0	0	114.8	S76	S76-T78 PolarHBondContact O-N 3.09Å
79	S	51.3	Low	68.8	Low	99 Å²	99	106 Å²	106	69%	0.692	55%	0.551	S	S	*	*	S	Bend	trans	-115.9	124.6	168.4	-159	0	0	0	0	108.8	I81	S79-I81 PolarHBondContact O-N 3.29Å
80	K	53.5	Low	69.3	Low	183 Å²	183	103.8 Å²	103.8	80%	0.796	54%	0.543	S	S	*	.			trans	-45.5	104.8	180	-81.4	176.4	175.8	175.8	0	109.6	T82	K80-T82 PolarHBondContact O-N 3.39Å
81	I	54.1	Low	70.1	Confident	118 Å²	118	102.1 Å²	102.1	61%	0.605	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-57.1	-14.4	177.8	-70.8	170.3	0	0	0	111.4	S79 D83	S79-I81 PolarHBondContact O-N 3.29Å; I81-D83 PolarHBondContact O-N 3.34Å
82	T	54	Low	71.3	Confident	109 Å²	109	93.2 Å²	93.2	67%	0.669	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-85.6	5.7	-162.8	45.8	0	0	0	0	117.2	K80	K80-T82 PolarHBondContact O-N 3.39Å
83	D	71.5	Confident	72.6	Confident	97 Å²	97	84.8 Å²	84.8	52%	0.519	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-139.5	5.9	179.4	-134.8	20.5	0	0	0	116.1	I81 R86 A87	I81-D83 PolarHBondContact O-N 3.34Å; D83-R86 CarbonylContact O-C 3.47Å; D83-R86 PolarHBondContact O-N 3.34Å; D83-R86 WeakPolarHBondContact OD1-CB 3.46Å; D83-R86 WeakPolarHBondContact OD1-CD 3.34Å; D83-A87 PolarHBondContact O-N 3.2Å
84	I	75.9	Confident	74	Confident	34 Å²	34	81.1 Å²	81.1	17%	0.174	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-63.3	-47	-179.8	-65.7	173.3	0	0	0	110.8	R86 A87 P115	I84-R86 PolarHBondContact O-N 3.14Å; I84-R86 VanDerWaalsContact O-N 3.16Å; I84-A87 VanDerWaalsContact O-CB 3.26Å; I84-A87 WeakPolarHBondContact O-CB 3.29Å; I84-A87 PolarHBondContact O-N 2.97Å; I84-A87 VanDerWaalsContact O-N 3.1Å; I84-P115 WeakPolarHBondContact O-CD 3.38Å
85	D	75.5	Confident	75.7	Confident	102 Å²	102	72 Å²	72	55%	0.545	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-67.8	-13.5	179.2	-72	-29.5	0	0	0	113.4
86	R	80.3	Confident	77.2	Confident	205 Å²	205	72.2 Å²	72.2	77%	0.774	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-104	-6.1	177.1	-68.7	177.8	175.9	-177	2.1	112.8	D83 I84	D83-R86 CarbonylContact O-C 3.47Å; D83-R86 PolarHBondContact O-N 3.34Å; D83-R86 WeakPolarHBondContact OD1-CB 3.46Å; D83-R86 WeakPolarHBondContact OD1-CD 3.34Å; I84-R86 PolarHBondContact O-N 3.14Å; I84-R86 VanDerWaalsContact O-N 3.16Å
87	A	91.3	Very high	78.7	Confident	30 Å²	30	71 Å²	71	25%	0.248	40%	0.396	C	S	.	.	S	Bend	trans	-62.2	153.1	175.5	0	0	0	0	0	110.5	D83 I84 P89 R114	D83-A87 PolarHBondContact O-N 3.2Å; I84-A87 VanDerWaalsContact O-CB 3.26Å; I84-A87 WeakPolarHBondContact O-CB 3.29Å; I84-A87 PolarHBondContact O-N 2.97Å; I84-A87 VanDerWaalsContact O-N 3.1Å; A87-P89 WeakPolarHBondContact O-CD 3.4Å; A87-P89 VanDerWaalsContact O-N 3.08Å; A87-R114 HydrophobicContact CB-CB 3.92Å
88	I	95	Very high	80.6	Confident	79 Å²	79	67.1 Å²	67.1	41%	0.405	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-54.9	118.6	179	-62.3	172.6	0	0	0	108.8	R114 I160 V183	I88-R114 WeakPolarHBondContact O-CD 3.35Å; I88-I160 HydrophobicContact CG2-CD1 4.43Å; I88-I160 HydrophobicContact CG2-CG1 4.1Å; I88-V183 HydrophobicContact CD1-CG1 4.19Å; I88-V183 HydrophobicContact CD1-CG2 4.29Å; I88-V183 HydrophobicContact CG2-CB 4.48Å; I88-V183 HydrophobicContact CG2-CG2 4.09Å
89	P	97.3	Very high	82.4	Confident	19 Å²	19	61.3 Å²	61.3	12%	0.123	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-69.9	156.2	-175.5	26.5	-32.3	0	0	0	111	A87 P115 Y117 L156 F159 I160	A87-P89 WeakPolarHBondContact O-CD 3.4Å; A87-P89 VanDerWaalsContact O-N 3.08Å; P89-P115 WeakPolarHBondContact CA-O 3.5Å; P89-P115 HydrophobicContact CB-CB 4.23Å; P89-Y117 HydrophobicContact CB-CD2 3.91Å; P89-Y117 HydrophobicContact CB-CE2 3.79Å; P89-L156 HydrophobicContact CG-CD2 4.04Å; P89-F159 HydrophobicContact CG-CB 4.01Å; P89-F159 CarbonylContact O-C 3.57Å; P89-F159 WeakPolarHBondContact O-CA 3.13Å; P89-F159 WeakPolarHBondContact O-CB 3.07Å; P89-I160 PolarHBondContact O-N 3.13Å
90	I	97.9	Very high	84.3	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.9	171.6	-173	170.5	0	0	0	110.3	L92 F110 R114 P115 V116 Y117 I160 L162 I186	I90-L92 HydrophobicContact CD1-CD2 3.93Å; I90-L92 HydrophobicContact CG1-CD2 3.86Å; I90-F110 HydrophobicContact CD1-CD1 4.12Å; I90-F110 HydrophobicContact CD1-CE1 4.04Å; I90-F110 HydrophobicContact CD1-CG 4.45Å; I90-F110 HydrophobicContact CD1-CZ 4.28Å; I90-F110 HydrophobicContact CG2-CB 4.23Å; I90-F110 HydrophobicContact CG2-CG 4.49Å; I90-R114 HydrophobicContact CG2-CG 4.05Å; I90-P115 PolarHBondContact N-O 3.12Å; I90-V116 HydrophobicContact CG2-CB 4.13Å; I90-V116 HydrophobicContact CG2-CG1 4.08Å; I90-V116 HydrophobicContact CG2-CG2 3.77Å; I90-V116 CarbonylContact O-C 3.53Å; I90-Y117 PolarHBondContact O-N 2.94Å; I90-I160 CarbonylContact C-O 3.59Å; I90-I160 WeakPolarHBondContact CA-O 3.49Å; I90-I160 HydrophobicContact CB-CB 4.22Å; I90-I160 HydrophobicContact CD1-CG2 4.01Å; I90-I160 HydrophobicContact CG1-CB 4.07Å; I90-I160 HydrophobicContact CG1-CG2 3.89Å; I90-L162 HydrophobicContact CD1-CB 4.23Å; I90-L162 HydrophobicContact CD1-CD1 4.16Å; I90-L162 HydrophobicContact CG1-CB 4.45Å; I90-I186 HydrophobicContact CD1-CD1 4.41Å
91	V	98.4	Very high	86	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.3	177.5	179.8	0	0	0	0	109.1	V93 Y117 L119 W150 L156 F159 I160 L161 L162	V91-V93 HydrophobicContact CG1-CG2 4.39Å; V91-Y117 CarbonylContact C-O 3.59Å; V91-Y117 WeakPolarHBondContact CA-O 3.35Å; V91-L119 HydrophobicContact CG1-CD2 4.12Å; V91-W150 HydrophobicContact CB-CH2 4.33Å; V91-W150 HydrophobicContact CB-CZ3 4.47Å; V91-W150 HydrophobicContact CG1-CH2 3.57Å; V91-W150 HydrophobicContact CG1-CZ3 3.63Å; V91-W150 HydrophobicContact CG2-CH2 3.8Å; V91-W150 HydrophobicContact CG2-CZ3 3.95Å; V91-L156 HydrophobicContact CG2-CD1 4.11Å; V91-F159 HydrophobicContact CB-CD2 3.78Å; V91-F159 HydrophobicContact CB-CE2 4.04Å; V91-F159 HydrophobicContact CG2-CB 4.11Å; V91-F159 HydrophobicContact CG2-CD2 3.32Å; V91-F159 HydrophobicContact CG2-CE2 3.83Å; V91-F159 HydrophobicContact CG2-CG 3.82Å; V91-I160 PolarHBondContact N-O 3.43Å; V91-L161 HydrophobicContact CB-CD1 4.14Å; V91-L161 HydrophobicContact CG1-CD1 4.09Å; V91-L162 PolarHBondContact O-N 2.9Å
92	L	98.4	Very high	87.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.6	-176.3	-49.7	-177	0	0	0	110.6	I90 W103 I107 F110 V116 Y117 L119 L162	I90-L92 HydrophobicContact CD1-CD2 3.93Å; I90-L92 HydrophobicContact CG1-CD2 3.86Å; L92-W103 HydrophobicContact CB-CD2 4.09Å; L92-W103 HydrophobicContact CB-CG 4.06Å; L92-W103 HydrophobicContact CB-CZ2 4.34Å; L92-W103 HydrophobicContact CD1-CB 3.8Å; L92-W103 HydrophobicContact CD1-CD2 3.99Å; L92-W103 HydrophobicContact CD1-CE3 4.46Å; L92-W103 HydrophobicContact CD1-CG 3.67Å; L92-I107 HydrophobicContact CD1-CG1 4.48Å; L92-F110 HydrophobicContact CD2-CD2 4.47Å; L92-F110 HydrophobicContact CD2-CE2 4.31Å; L92-V116 HydrophobicContact CD1-CG1 3.53Å; L92-V116 HydrophobicContact CG-CG1 3.91Å; L92-Y117 PolarHBondContact N-O 3.47Å; L92-L119 PolarHBondContact O-N 3.15Å; L92-L162 WeakPolarHBondContact CA-O 3.26Å; L92-L162 HydrophobicContact CD2-CB 3.87Å; L92-L162 HydrophobicContact CD2-CD1 4.07Å; L92-L162 HydrophobicContact CD2-CD2 4.39Å; L92-L162 HydrophobicContact CD2-CG 4.33Å
93	V	98	Very high	89.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.7	-178.8	-171.2	0	0	0	0	109.9	V91 V121 L161 L162 H164	V91-V93 HydrophobicContact CG1-CG2 4.39Å; V93-V121 HydrophobicContact CG1-CG2 3.59Å; V93-L161 HydrophobicContact CG2-CD1 3.64Å; V93-L162 PolarHBondContact N-O 2.89Å; V93-H164 PolarHBondContact O-N 3.16Å
94	H	96.5	Very high	90.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.2	C	C	.	.			trans	-75.5	166.2	-176.1	72.6	72.3	0	0	0	112.9	S98 G99 L102 L119 D120 V121 F124 G167	H94-S98 PolarHBondContact CE1-O 2.74Å; H94-S98 VanDerWaalsContact CE1-O 3.27Å; H94-G99 VanDerWaalsContact CD2-CA 3.49Å; H94-G99 WeakPolarHBondContact CD2-CA 3.49Å; H94-L102 HydrophobicContact CB-CD2 4.42Å; H94-L119 PolarHBondContact CD2-O 2.77Å; H94-L119 VanDerWaalsContact CD2-O 3.23Å; H94-D120 VanDerWaalsContact NE2-CA 3.33Å; H94-D120 WeakPolarHBondContact NE2-CA 3.36Å; H94-V121 PolarHBondContact NE2-N 2.85Å; H94-F124 VanDerWaalsContact CE1-CB 3.49Å; H94-F124 WeakPolarHBondContact CE1-CB 3.35Å; H94-F124 AromaticContact CE1-CG 3.95Å; H94-G167 VanDerWaalsContact O-CA 3.29Å; H94-G167 WeakPolarHBondContact O-CA 3.49Å; H94-G167 PolarHBondContact O-N 3.46Å
95	G	92.5	Very high	91.3	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.031	21%	0.211	C	C	.	.			trans	-86.5	-179.4	178.4	0	0	0	0	0	114.6	S98 H164	G95-S98 WeakPolarHBondContact O-CB 3.41Å; G95-S98 PolarHBondContact O-N 2.68Å; G95-H164 WeakPolarHBondContact CA-O 3.25Å; G95-H164 PolarHBondContact N-O 3.19Å
96	F	88.8	Confident	92.1	Very high	95 Å²	95	37.5 Å²	37.5	42%	0.417	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	136.2	179.5	-178.7	-104.2	0	0	0	112.4	S98 F124 L166 W191 L227	F96-S98 VanDerWaalsContact C-N 3.26Å; F96-S98 PolarHBondContact O-N 2.79Å; F96-F124 AromaticContact CD2-CE1 3.49Å; F96-F124 HydrophobicContact CD2-CE1 3.49Å; F96-F124 VanDerWaalsContact CD2-CE1 3.49Å; F96-F124 AromaticContact CD2-CZ 3.47Å; F96-F124 HydrophobicContact CD2-CZ 3.47Å; F96-F124 VanDerWaalsContact CD2-CZ 3.47Å; F96-F124 AromaticContact CE2-CE1 3.81Å; F96-F124 HydrophobicContact CE2-CE1 3.81Å; F96-F124 AromaticContact CE2-CZ 3.86Å; F96-F124 HydrophobicContact CE2-CZ 3.86Å; F96-F124 HydrophobicContact CG-CE1 4.21Å; F96-F124 HydrophobicContact CG-CZ 4.47Å; F96-L166 HydrophobicContact CB-CB 4.09Å; F96-L166 HydrophobicContact CB-CD2 4.02Å; F96-L166 HydrophobicContact CD2-CD2 4.14Å; F96-W191 HydrophobicContact CB-CZ3 4.21Å; F96-W191 HydrophobicContact CG-CZ3 4.43Å; F96-L227 HydrophobicContact CE1-CD1 3.48Å; F96-L227 VanDerWaalsContact CE1-CD1 3.48Å; F96-L227 HydrophobicContact CZ-CD1 3.79Å
97	G	83	Confident	92.7	Very high	64 Å²	64	27.7 Å²	27.7	66%	0.66	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	13.2	177	0	0	0	0	0	114.9	F124	G97-F124 VanDerWaalsContact N-CE1 3.35Å
98	S	85.9	Confident	92.8	Very high	33 Å²	33	28.1 Å²	28.1	23%	0.231	16%	0.164	C	C	.	.			trans	-117.3	-168.5	-178.2	-156.5	0	0	0	0	112.7	H94 G95 F96 L102	H94-S98 PolarHBondContact CE1-O 2.74Å; H94-S98 VanDerWaalsContact CE1-O 3.27Å; G95-S98 WeakPolarHBondContact O-CB 3.41Å; G95-S98 PolarHBondContact O-N 2.68Å; F96-S98 VanDerWaalsContact C-N 3.26Å; F96-S98 PolarHBondContact O-N 2.79Å; S98-L102 WeakPolarHBondContact OG-CB 3.32Å
99	G	91.3	Very high	92.6	Very high	15 Å²	15	27.6 Å²	27.6	16%	0.155	17%	0.171	C	C	.	.			trans	-152.9	175.4	173.5	0	0	0	0	0	110	H94 A101 L102 D120	H94-G99 VanDerWaalsContact CD2-CA 3.49Å; H94-G99 WeakPolarHBondContact CD2-CA 3.49Å; G99-A101 PolarHBondContact O-N 3.01Å; G99-A101 VanDerWaalsContact O-N 3.16Å; G99-L102 WeakPolarHBondContact O-CB 3.33Å; G99-L102 PolarHBondContact O-N 2.82Å; G99-D120 WeakPolarHBondContact CA-OD1 3.35Å
100	S	91.9	Very high	92.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-54	-35.6	-176.7	-64.3	0	0	0	0	113.4	L102 W103 S118 L119 D120	S100-L102 PolarHBondContact O-N 2.68Å; S100-W103 PolarHBondContact O-N 3.32Å; S100-W103 VanDerWaalsContact O-N 3.17Å; S100-S118 WeakPolarHBondContact CB-OG 3.41Å; S100-L119 WeakPolarHBondContact OG-CA 3.27Å; S100-L119 PolarHBondContact OG-N 3.32Å; S100-L119 PolarHBondContact OG-O 3.4Å; S100-D120 WeakPolarHBondContact CB-OD1 3.45Å; S100-D120 PolarHBondContact N-OD1 3.38Å; S100-D120 PolarHBondContact OG-N 3.05Å; S100-D120 VanDerWaalsContact OG-N 3.16Å; S100-D120 PolarHBondContact OG-OD1 2.83Å
101	A	89.4	Confident	92.2	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-64.2	-12.1	-179.6	0	0	0	0	0	114	E37 L40 L41 G99 W103 C104	E37-A101 HydrophobicContact CG-CB 4.48Å; L40-A101 HydrophobicContact CB-CB 3.8Å; L40-A101 HydrophobicContact CD1-CB 3.76Å; L40-A101 HydrophobicContact CG-CB 4.45Å; L41-A101 HydrophobicContact CD2-CB 4.26Å; L41-A101 HydrophobicContact CG-CB 4.1Å; G99-A101 PolarHBondContact O-N 3.01Å; G99-A101 VanDerWaalsContact O-N 3.16Å; A101-W103 PolarHBondContact O-N 3.18Å; A101-W103 VanDerWaalsContact O-N 3.16Å; A101-C104 WeakPolarHBondContact O-CB 3.36Å; A101-C104 PolarHBondContact O-N 3.47Å; A101-C104 VanDerWaalsContact O-N 3.14Å
102	L	89.9	Confident	91.8	Very high	51 Å²	51	31.2 Å²	31.2	27%	0.267	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-52.9	-32.8	170.8	-176.4	69.6	0	0	0	112.2	H94 S98 G99 S100 C104 F252	H94-L102 HydrophobicContact CB-CD2 4.42Å; S98-L102 WeakPolarHBondContact OG-CB 3.32Å; G99-L102 WeakPolarHBondContact O-CB 3.33Å; G99-L102 PolarHBondContact O-N 2.82Å; S100-L102 PolarHBondContact O-N 2.68Å; L102-C104 PolarHBondContact O-N 2.97Å; L102-F252 HydrophobicContact CD1-CZ 4.26Å
103	W	93.5	Very high	91.4	Very high	17 Å²	17	38.9 Å²	38.9	6%	0.064	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-78.6	2.9	-176.6	-59	113.6	0	0	0	114.2	L92 S100 A101 K105 N106 I107 L162 H164	L92-W103 HydrophobicContact CB-CD2 4.09Å; L92-W103 HydrophobicContact CB-CG 4.06Å; L92-W103 HydrophobicContact CB-CZ2 4.34Å; L92-W103 HydrophobicContact CD1-CB 3.8Å; L92-W103 HydrophobicContact CD1-CD2 3.99Å; L92-W103 HydrophobicContact CD1-CE3 4.46Å; L92-W103 HydrophobicContact CD1-CG 3.67Å; S100-W103 PolarHBondContact O-N 3.32Å; S100-W103 VanDerWaalsContact O-N 3.17Å; A101-W103 PolarHBondContact O-N 3.18Å; A101-W103 VanDerWaalsContact O-N 3.16Å; W103-K105 PolarHBondContact O-N 3.17Å; W103-N106 HydrophobicContact CE3-CB 4.42Å; W103-N106 WeakPolarHBondContact O-CA 3.28Å; W103-N106 PolarHBondContact O-N 3.05Å; W103-I107 HydrophobicContact CB-CD1 3.97Å; W103-I107 HydrophobicContact CB-CG1 3.95Å; W103-I107 VanDerWaalsContact O-CG1 3.31Å; W103-I107 WeakPolarHBondContact O-CG1 3.36Å; W103-I107 PolarHBondContact O-N 2.96Å; W103-L162 HydrophobicContact CH2-CD2 3.13Å; W103-L162 HydrophobicContact CZ2-CD2 3.79Å; W103-L162 HydrophobicContact CZ3-CD2 3.7Å; W103-H164 HydrophobicContact CH2-CB 3.56Å; W103-H164 HydrophobicContact CZ2-CB 3.85Å
104	C	91.4	Very high	91.2	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.034	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-52.9	-30.7	-171.8	69.9	0	0	0	0	114.6	L40 V44 A101 L102	L40-C104 WeakPolarHBondContact O-CB 3.45Å; V44-C104 HydrophobicContact CG2-CB 4.1Å; A101-C104 WeakPolarHBondContact O-CB 3.36Å; A101-C104 PolarHBondContact O-N 3.47Å; A101-C104 VanDerWaalsContact O-N 3.14Å; L102-C104 PolarHBondContact O-N 2.97Å
105	K	90.3	Very high	91.1	Very high	93 Å²	93	43 Å²	43	40%	0.404	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-85	-11.2	178.1	-64.3	-174.6	72.7	-177.8	0	114.3	W103 F251	W103-K105 PolarHBondContact O-N 3.17Å; K105-F251 HydrophobicContact CD-CD1 3.85Å; K105-F251 HydrophobicContact CD-CE1 3.54Å; K105-F251 HydrophobicContact CD-CZ 4.01Å; K105-F251 WeakPolarHBondContact CD-O 3.2Å; K105-F251 WeakPolarHBondContact CE-O 3.36Å; K105-F251 PolarHBondContact NZ-O 2.87Å
106	N	92.9	Very high	91.4	Very high	68 Å²	68	42.8 Å²	42.8	36%	0.364	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-27.2	-178.3	-58.8	91.6	0	0	0	112.4	W103 D108 A109 F110	W103-N106 HydrophobicContact CE3-CB 4.42Å; W103-N106 WeakPolarHBondContact O-CA 3.28Å; W103-N106 PolarHBondContact O-N 3.05Å; N106-D108 PolarHBondContact O-N 3.37Å; N106-A109 PolarHBondContact O-N 3.03Å; N106-F110 HydrophobicContact CB-CD2 4.28Å; N106-F110 HydrophobicContact CB-CE2 3.96Å; N106-F110 WeakPolarHBondContact O-CD2 3.5Å; N106-F110 PolarHBondContact O-N 3.23Å
107	I	93.8	Very high	91.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54	-52.2	-171.5	-77.6	158.6	0	0	0	112.2	L41 V44 F67 L92 W103 A109 F110 A111	L41-I107 HydrophobicContact CD2-CD1 4.4Å; V44-I107 HydrophobicContact CG1-CB 4.3Å; V44-I107 HydrophobicContact CG1-CG2 3.58Å; V44-I107 HydrophobicContact CG2-CB 4.34Å; V44-I107 HydrophobicContact CG2-CD1 4.05Å; V44-I107 HydrophobicContact CG2-CG2 4.41Å; F67-I107 HydrophobicContact CB-CG2 3.66Å; F67-I107 HydrophobicContact CD1-CD1 4.36Å; F67-I107 HydrophobicContact CD1-CG2 3.57Å; F67-I107 HydrophobicContact CD2-CD1 4.04Å; F67-I107 HydrophobicContact CD2-CG1 4.08Å; F67-I107 HydrophobicContact CD2-CG2 3.79Å; F67-I107 HydrophobicContact CE1-CD1 3.8Å; F67-I107 HydrophobicContact CE1-CG2 4.1Å; F67-I107 HydrophobicContact CE2-CD1 3.44Å; F67-I107 VanDerWaalsContact CE2-CD1 3.44Å; F67-I107 HydrophobicContact CE2-CG1 3.94Å; F67-I107 HydrophobicContact CE2-CG2 4.31Å; F67-I107 HydrophobicContact CG-CD1 4.47Å; F67-I107 HydrophobicContact CG-CG1 4.48Å; F67-I107 HydrophobicContact CG-CG2 3.39Å; F67-I107 HydrophobicContact CZ-CD1 3.31Å; F67-I107 HydrophobicContact CZ-CG1 4.24Å; F67-I107 HydrophobicContact CZ-CG2 4.46Å; L92-I107 HydrophobicContact CD1-CG1 4.48Å; W103-I107 HydrophobicContact CB-CD1 3.97Å; W103-I107 HydrophobicContact CB-CG1 3.95Å; W103-I107 VanDerWaalsContact O-CG1 3.31Å; W103-I107 WeakPolarHBondContact O-CG1 3.36Å; W103-I107 PolarHBondContact O-N 2.96Å; I107-A109 VanDerWaalsContact C-N 3.26Å; I107-A109 PolarHBondContact O-N 2.89Å; I107-F110 PolarHBondContact O-N 2.92Å; I107-A111 WeakPolarHBondContact O-CB 3.34Å; I107-A111 PolarHBondContact O-N 2.86Å
108	D	92.2	Very high	92.5	Very high	39 Å²	39	36.2 Å²	36.2	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-37.8	-176	-67.9	-37.9	0	0	0	112	V44 K45 S46 N106 F110 A111 C112	V44-D108 WeakPolarHBondContact CG1-OD1 3.2Å; K45-D108 PolarHBondContact N-OD1 3.15Å; K45-D108 PolarHBondContact N-OD2 3.45Å; K45-D108 VanDerWaalsContact N-OD2 3.14Å; S46-D108 WeakPolarHBondContact CB-OD1 2.85Å; S46-D108 PolarHBondContact N-OD1 3.25Å; S46-D108 PolarHBondContact OG-OD1 3.28Å; N106-D108 PolarHBondContact O-N 3.37Å; D108-F110 VanDerWaalsContact C-N 3.28Å; D108-F110 PolarHBondContact O-N 2.59Å; D108-A111 PolarHBondContact O-N 3.31Å; D108-C112 PolarHBondContact O-N 3.23Å; D108-C112 VanDerWaalsContact O-N 3.17Å; D108-C112 PolarHBondContact O-SG 2.94Å
109	A	91.9	Very high	93.1	Very high	67 Å²	67	34.8 Å²	34.8	55%	0.554	18%	0.176	S	C	*	.	H	α-helix	trans	-65.2	-30.6	178.5	0	0	0	0	0	112.9	N106 I107 Y113	N106-A109 PolarHBondContact O-N 3.03Å; I107-A109 VanDerWaalsContact C-N 3.26Å; I107-A109 PolarHBondContact O-N 2.89Å; A109-Y113 VanDerWaalsContact O-CD2 3.29Å; A109-Y113 WeakPolarHBondContact O-CD2 3.36Å; A109-Y113 WeakPolarHBondContact O-CE2 3.41Å
110	F	93.8	Very high	93.3	Very high	55 Å²	55	34.1 Å²	34.1	24%	0.241	17%	0.169	C	C	.	.	H	α-helix	trans	-84.4	-42.5	174.2	-66.8	-54.9	0	0	0	112.3	I90 L92 N106 I107 D108 C112 Y113 R114 V116 L162	I90-F110 HydrophobicContact CD1-CD1 4.12Å; I90-F110 HydrophobicContact CD1-CE1 4.04Å; I90-F110 HydrophobicContact CD1-CG 4.45Å; I90-F110 HydrophobicContact CD1-CZ 4.28Å; I90-F110 HydrophobicContact CG2-CB 4.23Å; I90-F110 HydrophobicContact CG2-CG 4.49Å; L92-F110 HydrophobicContact CD2-CD2 4.47Å; L92-F110 HydrophobicContact CD2-CE2 4.31Å; N106-F110 HydrophobicContact CB-CD2 4.28Å; N106-F110 HydrophobicContact CB-CE2 3.96Å; N106-F110 WeakPolarHBondContact O-CD2 3.5Å; N106-F110 PolarHBondContact O-N 3.23Å; I107-F110 PolarHBondContact O-N 2.92Å; D108-F110 VanDerWaalsContact C-N 3.28Å; D108-F110 PolarHBondContact O-N 2.59Å; F110-C112 PolarHBondContact O-N 3.25Å; F110-Y113 PolarHBondContact O-N 3.17Å; F110-R114 PolarHBondContact O-N 3.38Å; F110-V116 HydrophobicContact CB-CG2 3.48Å; F110-V116 VanDerWaalsContact CB-CG2 3.48Å; F110-L162 HydrophobicContact CE2-CD1 4.2Å; F110-L162 HydrophobicContact CZ-CD1 3.81Å
111	A	93.1	Very high	93.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-25.2	-175.3	0	0	0	0	0	112.9	S46 F67 R69 I107 D108 Y113 R114 V116	S46-A111 VanDerWaalsContact OG-CB 3.23Å; S46-A111 WeakPolarHBondContact OG-CB 3.31Å; F67-A111 HydrophobicContact CB-CB 4.44Å; R69-A111 WeakPolarHBondContact CB-O 3.43Å; I107-A111 WeakPolarHBondContact O-CB 3.34Å; I107-A111 PolarHBondContact O-N 2.86Å; D108-A111 PolarHBondContact O-N 3.31Å; A111-Y113 PolarHBondContact O-N 3.37Å; A111-Y113 VanDerWaalsContact O-N 3.15Å; A111-R114 WeakPolarHBondContact CA-O 3.43Å; A111-V116 HydrophobicContact CB-CG2 4.02Å
112	C	89.1	Confident	93.7	Very high	41 Å²	41	33.8 Å²	33.8	28%	0.277	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.2	170.3	-75.8	0	0	0	0	114.2	D108 F110	D108-C112 PolarHBondContact O-N 3.23Å; D108-C112 VanDerWaalsContact O-N 3.17Å; D108-C112 PolarHBondContact O-SG 2.94Å; F110-C112 PolarHBondContact O-N 3.25Å
113	Y	89.8	Confident	93.8	Very high	162 Å²	162	32.3 Å²	32.3	64%	0.635	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	-16.4	-170	-58.2	-76.9	0	0	0	115	A109 F110 A111	A109-Y113 VanDerWaalsContact O-CD2 3.29Å; A109-Y113 WeakPolarHBondContact O-CD2 3.36Å; A109-Y113 WeakPolarHBondContact O-CE2 3.41Å; F110-Y113 PolarHBondContact O-N 3.17Å; A111-Y113 PolarHBondContact O-N 3.37Å; A111-Y113 VanDerWaalsContact O-N 3.15Å
114	R	93.9	Very high	93.7	Very high	80 Å²	80	32.9 Å²	32.9	30%	0.302	17%	0.167	S	C	.	.	S	Bend	trans	-169	163.4	-175.7	58.8	-160.9	59.4	168.1	-2.7	111.6	A87 I88 I90 F110 A111 V116	A87-R114 HydrophobicContact CB-CB 3.92Å; I88-R114 WeakPolarHBondContact O-CD 3.35Å; I90-R114 HydrophobicContact CG2-CG 4.05Å; F110-R114 PolarHBondContact O-N 3.38Å; A111-R114 WeakPolarHBondContact CA-O 3.43Å; R114-V116 PolarHBondContact O-N 3.18Å
115	P	95.8	Very high	93.6	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.039	17%	0.17	C	C	.	.			trans	-62	135.9	167.9	-19.9	33.5	0	0	0	111.1	R68 I84 P89 I90 Y117	R68-P115 HydrophobicContact CG-CB 4.49Å; I84-P115 WeakPolarHBondContact O-CD 3.38Å; P89-P115 WeakPolarHBondContact CA-O 3.5Å; P89-P115 HydrophobicContact CB-CB 4.23Å; I90-P115 PolarHBondContact N-O 3.12Å; P115-Y117 HydrophobicContact CB-CE2 3.94Å
116	V	97.4	Very high	93.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.8	178.5	-178.1	0	0	0	0	108.8	V66 F67 I90 L92 F110 A111 R114	V66-V116 CarbonylContact C-O 3.58Å; V66-V116 WeakPolarHBondContact CA-O 3.5Å; F67-V116 HydrophobicContact CB-CB 4.15Å; F67-V116 HydrophobicContact CD2-CB 4.21Å; F67-V116 HydrophobicContact CD2-CG1 4.13Å; F67-V116 PolarHBondContact N-O 3.22Å; F67-V116 PolarHBondContact O-N 3.02Å; I90-V116 HydrophobicContact CG2-CB 4.13Å; I90-V116 HydrophobicContact CG2-CG1 4.08Å; I90-V116 HydrophobicContact CG2-CG2 3.77Å; I90-V116 CarbonylContact O-C 3.53Å; L92-V116 HydrophobicContact CD1-CG1 3.53Å; L92-V116 HydrophobicContact CG-CG1 3.91Å; F110-V116 HydrophobicContact CB-CG2 3.48Å; F110-V116 VanDerWaalsContact CB-CG2 3.48Å; A111-V116 HydrophobicContact CB-CG2 4.02Å; R114-V116 PolarHBondContact O-N 3.18Å
117	Y	98.1	Very high	93.7	Very high	21 Å²	21	26.1 Å²	26.1	8%	0.082	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.7	173.5	-69.5	-105.7	0	0	0	108.5	F65 V66 P89 I90 V91 L92 P115 W150 F154 L156	F65-Y117 WeakPolarHBondContact O-CA 3.46Å; V66-Y117 HydrophobicContact CB-CE1 4.37Å; V66-Y117 HydrophobicContact CG1-CD1 4.43Å; V66-Y117 HydrophobicContact CG1-CE1 4.01Å; V66-Y117 HydrophobicContact CG1-CE2 4.19Å; V66-Y117 HydrophobicContact CG2-CD1 3.6Å; V66-Y117 HydrophobicContact CG2-CE1 3.44Å; V66-Y117 VanDerWaalsContact CG2-CE1 3.44Å; V66-Y117 HydrophobicContact CG2-CG 4.43Å; P89-Y117 HydrophobicContact CB-CD2 3.91Å; P89-Y117 HydrophobicContact CB-CE2 3.79Å; I90-Y117 PolarHBondContact O-N 2.94Å; V91-Y117 CarbonylContact C-O 3.59Å; V91-Y117 WeakPolarHBondContact CA-O 3.35Å; L92-Y117 PolarHBondContact N-O 3.47Å; P115-Y117 HydrophobicContact CB-CE2 3.94Å; Y117-W150 HydrophobicContact CD1-CH2 4.16Å; Y117-W150 AromaticContact CD1-CZ2 3.97Å; Y117-W150 HydrophobicContact CD1-CZ2 3.97Å; Y117-W150 HydrophobicContact CG-CH2 4.25Å; Y117-W150 HydrophobicContact CG-CZ2 4.38Å; Y117-F154 HydrophobicContact CD1-CD2 4.37Å; Y117-F154 HydrophobicContact CD1-CE2 4.48Å; Y117-F154 HydrophobicContact CD1-CG 4.39Å; Y117-F154 HydrophobicContact CE1-CB 4.25Å; Y117-F154 AromaticContact CE1-CD1 3.71Å; Y117-F154 HydrophobicContact CE1-CD1 3.71Å; Y117-F154 HydrophobicContact CE1-CD2 4.24Å; Y117-F154 HydrophobicContact CE1-CE1 4.03Å; Y117-F154 AromaticContact CE1-CG 3.82Å; Y117-F154 HydrophobicContact CE1-CG 3.82Å; Y117-F154 HydrophobicContact CE1-CZ 4.41Å; Y117-L156 HydrophobicContact CD1-CD1 4.3Å; Y117-L156 HydrophobicContact CD2-CD1 4.42Å; Y117-L156 HydrophobicContact CE1-CD1 4.4Å; Y117-L156 HydrophobicContact CE1-CD2 4.38Å; Y117-L156 HydrophobicContact CE2-CD2 4.09Å; Y117-L156 HydrophobicContact CG-CD1 4.33Å
118	S	97.7	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.4	169	65.5	0	0	0	0	109.7	T64 F65 F67 S100	T64-S118 CarbonylContact C-O 3.6Å; T64-S118 WeakPolarHBondContact CA-O 2.95Å; T64-S118 WeakPolarHBondContact CG2-O 3.35Å; F65-S118 PolarHBondContact N-O 2.83Å; F65-S118 PolarHBondContact O-N 3.4Å; F67-S118 WeakPolarHBondContact CE2-OG 3.42Å; S100-S118 WeakPolarHBondContact CB-OG 3.41Å
119	L	97.7	Very high	93.5	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.6	-177	68.6	92.8	0	0	0	111.7	I62 R63 V91 L92 H94 S100 V121 W150	I62-L119 HydrophobicContact CG2-CB 3.78Å; I62-L119 HydrophobicContact CG2-CD1 4.29Å; R63-L119 CarbonylContact O-C 3.55Å; R63-L119 WeakPolarHBondContact O-CA 3.5Å; V91-L119 HydrophobicContact CG1-CD2 4.12Å; L92-L119 PolarHBondContact O-N 3.15Å; H94-L119 PolarHBondContact CD2-O 2.77Å; H94-L119 VanDerWaalsContact CD2-O 3.23Å; S100-L119 WeakPolarHBondContact OG-CA 3.27Å; S100-L119 PolarHBondContact OG-N 3.32Å; S100-L119 PolarHBondContact OG-O 3.4Å; L119-V121 HydrophobicContact CD1-CG2 4.31Å; L119-W150 HydrophobicContact CB-CZ2 4.29Å; L119-W150 HydrophobicContact CD2-CD2 3.59Å; L119-W150 HydrophobicContact CD2-CE3 3.56Å; L119-W150 HydrophobicContact CD2-CG 4.29Å; L119-W150 HydrophobicContact CD2-CH2 3.91Å; L119-W150 HydrophobicContact CD2-CZ2 3.9Å; L119-W150 HydrophobicContact CD2-CZ3 3.73Å
120	D	96.3	Very high	93.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-82.8	118.4	168.6	-67	-5.2	0	0	0	108.9	R63 H94 G99 S100 L122 G125 R126 S127	R63-D120 HydrophobicContact CB-CB 3.97Å; R63-D120 WeakPolarHBondContact CB-OD2 3.46Å; R63-D120 PolarHBondContact O-N 2.85Å; H94-D120 VanDerWaalsContact NE2-CA 3.33Å; H94-D120 WeakPolarHBondContact NE2-CA 3.36Å; G99-D120 WeakPolarHBondContact CA-OD1 3.35Å; S100-D120 WeakPolarHBondContact CB-OD1 3.45Å; S100-D120 PolarHBondContact N-OD1 3.38Å; S100-D120 PolarHBondContact OG-N 3.05Å; S100-D120 VanDerWaalsContact OG-N 3.16Å; S100-D120 PolarHBondContact OG-OD1 2.83Å; D120-L122 PolarHBondContact O-N 3.3Å; D120-G125 VanDerWaalsContact OD2-CA 3.31Å; D120-G125 WeakPolarHBondContact OD2-CA 3.35Å; D120-R126 PolarHBondContact OD2-N 3.24Å; D120-S127 VanDerWaalsContact CB-OG 3.25Å; D120-S127 WeakPolarHBondContact CB-OG 3.16Å; D120-S127 WeakPolarHBondContact O-CB 3.5Å; D120-S127 PolarHBondContact O-OG 2.76Å
121	V	95.9	Very high	93	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-57.3	138.6	177.6	177.2	0	0	0	0	109.2	V93 H94 L119 G123 F124 W143 L170	V93-V121 HydrophobicContact CG1-CG2 3.59Å; H94-V121 PolarHBondContact NE2-N 2.85Å; L119-V121 HydrophobicContact CD1-CG2 4.31Å; V121-G123 PolarHBondContact O-N 3.02Å; V121-F124 HydrophobicContact CB-CD2 3.88Å; V121-F124 HydrophobicContact CG1-CD2 3.93Å; V121-F124 HydrophobicContact CG1-CE2 4.25Å; V121-F124 WeakPolarHBondContact O-CA 3.26Å; V121-F124 WeakPolarHBondContact O-CB 3.11Å; V121-F124 PolarHBondContact O-N 3.01Å; V121-W143 HydrophobicContact CG1-CG 4.5Å; V121-L170 HydrophobicContact CG1-CD1 3.63Å; V121-L170 HydrophobicContact CG2-CD1 4.13Å
122	L	93.7	Very high	92.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	127.6	177.5	-168	70.3	0	0	0	110.8	I55 F56 C60 I62 D120 S128 P130 F132 K142 W143	I55-L122 HydrophobicContact CD1-CD1 4.25Å; F56-L122 HydrophobicContact CE2-CD2 3.95Å; C60-L122 HydrophobicContact CB-CD1 4.14Å; I62-L122 HydrophobicContact CD1-CB 4.14Å; I62-L122 HydrophobicContact CD1-CD1 4.02Å; D120-L122 PolarHBondContact O-N 3.3Å; L122-S128 WeakPolarHBondContact CD1-O 3.46Å; L122-P130 HydrophobicContact CD1-CG 4.05Å; L122-P130 HydrophobicContact CD2-CG 3.73Å; L122-P130 HydrophobicContact CG-CG 3.86Å; L122-F132 HydrophobicContact CB-CZ 4.35Å; L122-F132 HydrophobicContact CD2-CE1 4.32Å; L122-F132 HydrophobicContact CD2-CZ 4Å; L122-F132 HydrophobicContact CG-CZ 4.03Å; L122-K142 HydrophobicContact CD2-CG 4.44Å; L122-W143 PolarHBondContact O-NE1 3.17Å
123	G	90.9	Very high	92.6	Very high	20 Å²	20	35.2 Å²	35.2	21%	0.206	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.1	-15.3	-171.2	0	0	0	0	0	115.1	V121 S128 R129	V121-G123 PolarHBondContact O-N 3.02Å; G123-S128 PolarHBondContact N-O 3.21Å; G123-R129 PolarHBondContact O-NE 2.94Å
124	F	91.9	Very high	92.4	Very high	29 Å²	29	33 Å²	33	13%	0.127	19%	0.193	C	C	.	.	S	Bend	trans	-121.7	170.1	-174.1	-59	-86.7	0	0	0	112.7	H94 F96 G97 V121 R126 S127 W143 L166	H94-F124 VanDerWaalsContact CE1-CB 3.49Å; H94-F124 WeakPolarHBondContact CE1-CB 3.35Å; H94-F124 AromaticContact CE1-CG 3.95Å; F96-F124 AromaticContact CD2-CE1 3.49Å; F96-F124 HydrophobicContact CD2-CE1 3.49Å; F96-F124 VanDerWaalsContact CD2-CE1 3.49Å; F96-F124 AromaticContact CD2-CZ 3.47Å; F96-F124 HydrophobicContact CD2-CZ 3.47Å; F96-F124 VanDerWaalsContact CD2-CZ 3.47Å; F96-F124 AromaticContact CE2-CE1 3.81Å; F96-F124 HydrophobicContact CE2-CE1 3.81Å; F96-F124 AromaticContact CE2-CZ 3.86Å; F96-F124 HydrophobicContact CE2-CZ 3.86Å; F96-F124 HydrophobicContact CG-CE1 4.21Å; F96-F124 HydrophobicContact CG-CZ 4.47Å; G97-F124 VanDerWaalsContact N-CE1 3.35Å; V121-F124 HydrophobicContact CB-CD2 3.88Å; V121-F124 HydrophobicContact CG1-CD2 3.93Å; V121-F124 HydrophobicContact CG1-CE2 4.25Å; V121-F124 WeakPolarHBondContact O-CA 3.26Å; V121-F124 WeakPolarHBondContact O-CB 3.11Å; V121-F124 PolarHBondContact O-N 3.01Å; F124-R126 PolarHBondContact O-N 3.34Å; F124-S127 WeakPolarHBondContact O-CB 3.38Å; F124-S127 PolarHBondContact O-N 2.89Å; F124-S127 VanDerWaalsContact O-N 3.09Å; F124-W143 HydrophobicContact CE2-CZ2 4.3Å; F124-L166 HydrophobicContact CE2-CD2 4.02Å; F124-L166 HydrophobicContact CZ-CD2 3.94Å
125	G	90.3	Very high	92	Very high	10 Å²	10	33.5 Å²	33.5	10%	0.103	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-133.2	178.9	0	0	0	0	0	113	L33 D120 R129	L33-G125 VanDerWaalsContact CD2-O 3.26Å; L33-G125 WeakPolarHBondContact CD2-O 3.12Å; D120-G125 VanDerWaalsContact OD2-CA 3.31Å; D120-G125 WeakPolarHBondContact OD2-CA 3.35Å; G125-R129 PolarHBondContact O-NH1 2.88Å; G125-R129 VanDerWaalsContact O-NH1 3.17Å; G125-R129 PolarHBondContact O-NH2 3.05Å
126	R	90.7	Very high	91.6	Very high	13 Å²	13	36.5 Å²	36.5	5%	0.049	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.2	176.3	-60.5	179.8	68.7	-158.2	-4.6	112.9	L33 E37 F52 R63 D120 F124	L33-R126 HydrophobicContact CD2-CG 3.52Å; L33-R126 HydrophobicContact CG-CG 3.77Å; E37-R126 VanDerWaalsContact CD-CD 3.5Å; E37-R126 WeakPolarHBondContact OE1-CD 3.39Å; E37-R126 IonicContact OE1-CZ 3.06Å; E37-R126 IonicContact OE1-NH1 2.82Å; E37-R126 PolarHBondContact OE1-NH1 3.3Å; E37-R126 WeakPolarHBondContact OE2-CD 3.39Å; F52-R126 HydrophobicContact CE1-CB 4.22Å; F52-R126 WeakPolarHBondContact CE1-O 3.38Å; F52-R126 HydrophobicContact CZ-CB 4.32Å; R63-R126 HydrophobicContact CB-CB 3.97Å; R63-R126 HydrophobicContact CG-CB 3.89Å; D120-R126 PolarHBondContact OD2-N 3.24Å; F124-R126 PolarHBondContact O-N 3.34Å
127	S	93.2	Very high	91.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-69.1	160.5	170.6	-73.6	0	0	0	0	112.1	Y61 I62 R63 D120 F124	Y61-S127 WeakPolarHBondContact O-CA 3.29Å; I62-S127 WeakPolarHBondContact CA-OG 3.18Å; R63-S127 PolarHBondContact N-OG 2.83Å; D120-S127 VanDerWaalsContact CB-OG 3.25Å; D120-S127 WeakPolarHBondContact CB-OG 3.16Å; D120-S127 WeakPolarHBondContact O-CB 3.5Å; D120-S127 PolarHBondContact O-OG 2.76Å; F124-S127 WeakPolarHBondContact O-CB 3.38Å; F124-S127 PolarHBondContact O-N 2.89Å; F124-S127 VanDerWaalsContact O-N 3.09Å
128	S	91.5	Very high	90.9	Very high	19 Å²	19	39.4 Å²	39.4	13%	0.133	25%	0.25	C	C	.	.			trans	-58.8	151.6	175.6	-65.3	0	0	0	0	112.2	C60 Y61 L122 G123 P130	C60-S128 WeakPolarHBondContact CA-OG 3.43Å; Y61-S128 PolarHBondContact N-OG 2.68Å; Y61-S128 PolarHBondContact O-N 3.46Å; L122-S128 WeakPolarHBondContact CD1-O 3.46Å; G123-S128 PolarHBondContact N-O 3.21Å; S128-P130 VanDerWaalsContact C-CD 3.43Å; S128-P130 WeakPolarHBondContact O-CD 3.41Å
129	R	90.6	Very high	90.6	Very high	116 Å²	116	40.4 Å²	40.4	44%	0.438	26%	0.256	S	S	.	.			trans	-120.5	69.1	179.7	-62.6	-178.7	169.4	74.5	-0.6	110.4	G123 G125	G123-R129 PolarHBondContact O-NE 2.94Å; G125-R129 PolarHBondContact O-NH1 2.88Å; G125-R129 VanDerWaalsContact O-NH1 3.17Å; G125-R129 PolarHBondContact O-NH2 3.05Å
130	P	88.3	Confident	90.4	Very high	30 Å²	30	40.9 Å²	40.9	20%	0.195	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-68.1	166.5	178.8	30.9	-34.8	0	0	0	110.9	L122 S128 F132	L122-P130 HydrophobicContact CD1-CG 4.05Å; L122-P130 HydrophobicContact CD2-CG 3.73Å; L122-P130 HydrophobicContact CG-CG 3.86Å; S128-P130 VanDerWaalsContact C-CD 3.43Å; S128-P130 WeakPolarHBondContact O-CD 3.41Å; P130-F132 HydrophobicContact CG-CE2 4.36Å; P130-F132 HydrophobicContact CG-CZ 4.48Å; P130-F132 WeakPolarHBondContact O-CD2 3.26Å; P130-F132 PolarHBondContact O-N 2.89Å
131	S	88.2	Confident	90.3	Very high	106 Å²	106	46 Å²	46	74%	0.741	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-60.7	137.8	163.2	52.8	0	0	0	0	109.9	K142	S131-K142 PolarHBondContact O-NZ 3.03Å
132	F	86.8	Confident	90.3	Very high	66 Å²	66	48.6 Å²	48.6	29%	0.289	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-103.6	144.3	172.5	-78.2	-85.3	0	0	0	109.2	L122 P130 V139 K142 W143	L122-F132 HydrophobicContact CB-CZ 4.35Å; L122-F132 HydrophobicContact CD2-CE1 4.32Å; L122-F132 HydrophobicContact CD2-CZ 4Å; L122-F132 HydrophobicContact CG-CZ 4.03Å; P130-F132 HydrophobicContact CG-CE2 4.36Å; P130-F132 HydrophobicContact CG-CZ 4.48Å; P130-F132 WeakPolarHBondContact O-CD2 3.26Å; P130-F132 PolarHBondContact O-N 2.89Å; F132-V139 HydrophobicContact CB-CG2 4.05Å; F132-V139 HydrophobicContact CD1-CB 4.47Å; F132-V139 HydrophobicContact CD1-CG1 3.84Å; F132-V139 HydrophobicContact CD1-CG2 4.3Å; F132-V139 HydrophobicContact CE1-CG1 4.37Å; F132-K142 HydrophobicContact CD1-CD 4.16Å; F132-K142 HydrophobicContact CE1-CD 4.27Å; F132-K142 HydrophobicContact CE1-CG 4.42Å; F132-W143 AromaticContact CE1-CD1 3.82Å; F132-W143 HydrophobicContact CE1-CD2 4.47Å; F132-W143 AromaticContact CE1-CE2 3.89Å; F132-W143 HydrophobicContact CE1-CG 4.43Å; F132-W143 HydrophobicContact CE1-CZ2 4.47Å; F132-W143 AromaticContact CE1-NE1 3.44Å; F132-W143 AromaticContact CZ-NE1 3.38Å
133	P	85.7	Confident	90.4	Very high	56 Å²	56	50.5 Å²	50.5	36%	0.364	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-62	159.1	173	24.2	-30.3	0	0	0	111.1	D135 A138 V139	P133-D135 VanDerWaalsContact C-N 3.34Å; P133-A138 HydrophobicContact CB-CB 3.95Å; P133-A138 HydrophobicContact CG-CB 3.51Å; P133-V139 HydrophobicContact CG-CG2 3.9Å; P133-V139 WeakPolarHBondContact O-CG2 3.36Å
134	A	85.6	Confident	90.7	Very high	115 Å²	115	50 Å²	50	95%	0.95	29%	0.293	S	S	*	.	S	Bend	trans	-75.4	-25.1	178.1	0	0	0	0	0	112.9
135	D	86.8	Confident	91	Very high	92 Å²	92	52.3 Å²	52.3	49%	0.492	30%	0.304	S	S	.	.	S	Bend	trans	-77.4	127.9	177.3	178.7	70.7	0	0	0	111.2	P133 T137 A138 V139	P133-D135 VanDerWaalsContact C-N 3.34Å; D135-T137 VanDerWaalsContact C-N 3.32Å; D135-T137 PolarHBondContact O-N 2.83Å; D135-T137 WeakPolarHBondContact OD2-CA 3.36Å; D135-T137 WeakPolarHBondContact OD2-CB 3.27Å; D135-T137 PolarHBondContact OD2-N 3.22Å; D135-T137 PolarHBondContact OD2-OG1 2.89Å; D135-A138 HydrophobicContact CB-CB 4.15Å; D135-A138 PolarHBondContact O-N 3.41Å; D135-A138 PolarHBondContact OD2-N 3.27Å; D135-V139 WeakPolarHBondContact O-CG2 3.28Å; D135-V139 PolarHBondContact O-N 2.89Å; D135-V139 VanDerWaalsContact O-N 3.1Å
136	A	87.2	Confident	91.4	Very high	68 Å²	68	51.9 Å²	51.9	56%	0.562	30%	0.3	S	S	*	.	H	α-helix	trans	-64.2	-35.2	-176.2	0	0	0	0	0	113	V139 E140	A136-V139 WeakPolarHBondContact O-CB 3.49Å; A136-V139 PolarHBondContact O-N 3.25Å; A136-E140 PolarHBondContact O-N 3.42Å
137	T	88.8	Confident	91.7	Very high	51 Å²	51	51.4 Å²	51.4	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-45.8	178.5	-37.5	0	0	0	0	110	D135 V139 E140 E141	D135-T137 VanDerWaalsContact C-N 3.32Å; D135-T137 PolarHBondContact O-N 2.83Å; D135-T137 WeakPolarHBondContact OD2-CA 3.36Å; D135-T137 WeakPolarHBondContact OD2-CB 3.27Å; D135-T137 PolarHBondContact OD2-N 3.22Å; D135-T137 PolarHBondContact OD2-OG1 2.89Å; T137-V139 PolarHBondContact O-N 3.29Å; T137-E140 WeakPolarHBondContact O-CB 3.47Å; T137-E140 PolarHBondContact O-N 3.03Å; T137-E141 WeakPolarHBondContact O-CG 3.16Å; T137-E141 PolarHBondContact O-N 2.86Å
138	A	91.2	Very high	92	Very high	31 Å²	31	52.6 Å²	52.6	26%	0.256	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-29.9	176.9	0	0	0	0	0	112.6	P133 D135 K142	P133-A138 HydrophobicContact CB-CB 3.95Å; P133-A138 HydrophobicContact CG-CB 3.51Å; D135-A138 HydrophobicContact CB-CB 4.15Å; D135-A138 PolarHBondContact O-N 3.41Å; D135-A138 PolarHBondContact OD2-N 3.27Å; A138-K142 VanDerWaalsContact O-CB 3.3Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 3.36Å; A138-K142 VanDerWaalsContact O-N 3.1Å
139	V	92.1	Very high	92.3	Very high	22 Å²	22	54.1 Å²	54.1	13%	0.133	31%	0.309	C	S	.	.	H	α-helix	trans	-68.4	-47.9	172.4	173.5	0	0	0	0	111.2	F132 P133 D135 A136 T137 K142 W143	F132-V139 HydrophobicContact CB-CG2 4.05Å; F132-V139 HydrophobicContact CD1-CB 4.47Å; F132-V139 HydrophobicContact CD1-CG1 3.84Å; F132-V139 HydrophobicContact CD1-CG2 4.3Å; F132-V139 HydrophobicContact CE1-CG1 4.37Å; P133-V139 HydrophobicContact CG-CG2 3.9Å; P133-V139 WeakPolarHBondContact O-CG2 3.36Å; D135-V139 WeakPolarHBondContact O-CG2 3.28Å; D135-V139 PolarHBondContact O-N 2.89Å; D135-V139 VanDerWaalsContact O-N 3.1Å; A136-V139 WeakPolarHBondContact O-CB 3.49Å; A136-V139 PolarHBondContact O-N 3.25Å; T137-V139 PolarHBondContact O-N 3.29Å; V139-K142 PolarHBondContact O-N 3.38Å; V139-W143 HydrophobicContact CG1-CD2 4.04Å; V139-W143 HydrophobicContact CG1-CE3 3.7Å; V139-W143 HydrophobicContact CG1-CH2 3.68Å; V139-W143 HydrophobicContact CG1-CZ2 4Å; V139-W143 HydrophobicContact CG1-CZ3 3.53Å; V139-W143 PolarHBondContact O-N 3.14Å
140	E	92.8	Very high	92.6	Very high	11 Å²	11	48.6 Å²	48.6	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-50.3	176.3	-178.3	-170.6	160.8	0	0	111.1	A136 T137 K142 W143 V144 F169 S173 L283	A136-E140 PolarHBondContact O-N 3.42Å; T137-E140 WeakPolarHBondContact O-CB 3.47Å; T137-E140 PolarHBondContact O-N 3.03Å; E140-K142 VanDerWaalsContact C-N 3.31Å; E140-K142 PolarHBondContact O-N 3.28Å; E140-W143 WeakPolarHBondContact O-CB 3.21Å; E140-W143 PolarHBondContact O-N 3.16Å; E140-W143 VanDerWaalsContact O-N 3.09Å; E140-V144 WeakPolarHBondContact O-CG2 3.45Å; E140-V144 PolarHBondContact O-N 3.05Å; E140-F169 HydrophobicContact CG-CE1 4.01Å; E140-F169 HydrophobicContact CG-CZ 4.14Å; E140-S173 WeakPolarHBondContact CG-OG 3.43Å; E140-S173 VanDerWaalsContact OE1-CB 3.25Å; E140-S173 WeakPolarHBondContact OE1-CB 3.26Å; E140-S173 PolarHBondContact OE1-OG 3.47Å; E140-L283 WeakPolarHBondContact OE2-CD1 3.44Å
141	E	95	Very high	93.1	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-42	178.1	-72.5	173.5	171.5	0	0	111.7	T137 W143 V144 E145	T137-E141 WeakPolarHBondContact O-CG 3.16Å; T137-E141 PolarHBondContact O-N 2.86Å; E141-W143 VanDerWaalsContact C-N 3.34Å; E141-W143 PolarHBondContact O-N 3.12Å; E141-V144 PolarHBondContact O-N 3.19Å; E141-E145 VanDerWaalsContact O-CB 3.29Å; E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 PolarHBondContact O-N 3.38Å
142	K	95.3	Very high	93.5	Very high	57 Å²	57	45.5 Å²	45.5	25%	0.248	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-37.3	176.2	-174.4	168.5	-176.8	171.2	0	112.4	F56 L122 S131 F132 A138 V139 E140 S146	F56-K142 HydrophobicContact CE2-CG 4.5Å; F56-K142 HydrophobicContact CZ-CG 4.21Å; L122-K142 HydrophobicContact CD2-CG 4.44Å; S131-K142 PolarHBondContact O-NZ 3.03Å; F132-K142 HydrophobicContact CD1-CD 4.16Å; F132-K142 HydrophobicContact CE1-CD 4.27Å; F132-K142 HydrophobicContact CE1-CG 4.42Å; A138-K142 VanDerWaalsContact O-CB 3.3Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 3.36Å; A138-K142 VanDerWaalsContact O-N 3.1Å; V139-K142 PolarHBondContact O-N 3.38Å; E140-K142 VanDerWaalsContact C-N 3.31Å; E140-K142 PolarHBondContact O-N 3.28Å; K142-S146 WeakPolarHBondContact O-CB 3.38Å; K142-S146 PolarHBondContact O-N 3Å
143	W	96.1	Very high	93.9	Very high	41 Å²	41	43.8 Å²	43.8	16%	0.155	26%	0.262	C	S	.	.	H	α-helix	trans	-67.6	-45.8	173.7	-80	-40.3	0	0	0	112.1	V121 L122 F124 F132 V139 E140 E141 E145 S146 I147 L170	V121-W143 HydrophobicContact CG1-CG 4.5Å; L122-W143 PolarHBondContact O-NE1 3.17Å; F124-W143 HydrophobicContact CE2-CZ2 4.3Å; F132-W143 AromaticContact CE1-CD1 3.82Å; F132-W143 HydrophobicContact CE1-CD2 4.47Å; F132-W143 AromaticContact CE1-CE2 3.89Å; F132-W143 HydrophobicContact CE1-CG 4.43Å; F132-W143 HydrophobicContact CE1-CZ2 4.47Å; F132-W143 AromaticContact CE1-NE1 3.44Å; F132-W143 AromaticContact CZ-NE1 3.38Å; V139-W143 HydrophobicContact CG1-CD2 4.04Å; V139-W143 HydrophobicContact CG1-CE3 3.7Å; V139-W143 HydrophobicContact CG1-CH2 3.68Å; V139-W143 HydrophobicContact CG1-CZ2 4Å; V139-W143 HydrophobicContact CG1-CZ3 3.53Å; V139-W143 PolarHBondContact O-N 3.14Å; E140-W143 WeakPolarHBondContact O-CB 3.21Å; E140-W143 PolarHBondContact O-N 3.16Å; E140-W143 VanDerWaalsContact O-N 3.09Å; E141-W143 VanDerWaalsContact C-N 3.34Å; E141-W143 PolarHBondContact O-N 3.12Å; W143-E145 PolarHBondContact O-N 3.3Å; W143-S146 PolarHBondContact O-N 2.98Å; W143-S146 PolarHBondContact O-OG 3.34Å; W143-I147 PolarHBondContact O-N 2.83Å; W143-L170 HydrophobicContact CB-CD1 4.34Å; W143-L170 HydrophobicContact CB-CD2 3.64Å; W143-L170 HydrophobicContact CD2-CD1 4.46Å; W143-L170 HydrophobicContact CD2-CD2 4.07Å; W143-L170 HydrophobicContact CE3-CD2 3.7Å; W143-L170 HydrophobicContact CG-CD1 4.36Å; W143-L170 HydrophobicContact CG-CD2 4.11Å
144	V	97.3	Very high	94.4	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-47.5	177.1	170.8	0	0	0	0	111.1	E140 E141 S146 I147 E148 S173 Y174 T177	E140-V144 WeakPolarHBondContact O-CG2 3.45Å; E140-V144 PolarHBondContact O-N 3.05Å; E141-V144 PolarHBondContact O-N 3.19Å; V144-S146 VanDerWaalsContact C-N 3.29Å; V144-S146 PolarHBondContact O-N 3.04Å; V144-I147 WeakPolarHBondContact O-CB 3.37Å; V144-I147 PolarHBondContact O-N 3.35Å; V144-I147 VanDerWaalsContact O-N 3.1Å; V144-E148 PolarHBondContact O-N 3.3Å; V144-S173 VanDerWaalsContact CG2-OG 3.26Å; V144-S173 WeakPolarHBondContact CG2-OG 3.33Å; V144-Y174 HydrophobicContact CG1-CD2 4.11Å; V144-T177 WeakPolarHBondContact CG1-OG1 3.33Å
145	E	97.6	Very high	94.9	Very high	77 Å²	77	43.8 Å²	43.8	36%	0.36	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-38.8	177.7	179.8	60.3	-160.4	0	0	111.6	F56 E141 W143 I147 E148 Q149	F56-E145 HydrophobicContact CE1-CB 4.37Å; F56-E145 HydrophobicContact CE1-CG 3.63Å; F56-E145 HydrophobicContact CZ-CB 4.48Å; F56-E145 HydrophobicContact CZ-CG 4.19Å; E141-E145 VanDerWaalsContact O-CB 3.29Å; E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 PolarHBondContact O-N 3.38Å; W143-E145 PolarHBondContact O-N 3.3Å; E145-I147 VanDerWaalsContact C-N 3.27Å; E145-I147 PolarHBondContact O-N 2.84Å; E145-E148 PolarHBondContact O-N 3.03Å; E145-E148 VanDerWaalsContact O-N 3.16Å; E145-Q149 HydrophobicContact CG-CG 4.43Å; E145-Q149 WeakPolarHBondContact O-CG 3.36Å; E145-Q149 PolarHBondContact O-N 2.95Å; E145-Q149 VanDerWaalsContact OE1-CG 3.27Å; E145-Q149 WeakPolarHBondContact OE1-CG 3.48Å; E145-Q149 PolarHBondContact OE1-NE2 3.44Å
146	S	97.6	Very high	95.3	Very high	2 Å²	2	40 Å²	40	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-36.8	176.1	77.1	0	0	0	0	112.6	K142 W143 V144 W150	K142-S146 WeakPolarHBondContact O-CB 3.38Å; K142-S146 PolarHBondContact O-N 3Å; W143-S146 PolarHBondContact O-N 2.98Å; W143-S146 PolarHBondContact O-OG 3.34Å; V144-S146 VanDerWaalsContact C-N 3.29Å; V144-S146 PolarHBondContact O-N 3.04Å; S146-W150 WeakPolarHBondContact O-CB 3.42Å; S146-W150 PolarHBondContact O-N 3.25Å; S146-W150 VanDerWaalsContact O-N 3.13Å
147	I	98.2	Very high	95.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-72.2	-39	175.6	-64.8	164.3	0	0	0	110.2	W143 V144 E145 W150 R151 L170 Y174	W143-I147 PolarHBondContact O-N 2.83Å; V144-I147 WeakPolarHBondContact O-CB 3.37Å; V144-I147 PolarHBondContact O-N 3.35Å; V144-I147 VanDerWaalsContact O-N 3.1Å; E145-I147 VanDerWaalsContact C-N 3.27Å; E145-I147 PolarHBondContact O-N 2.84Å; I147-W150 PolarHBondContact O-N 3.4Å; I147-R151 WeakPolarHBondContact O-CB 3.06Å; I147-R151 PolarHBondContact O-N 3.48Å; I147-L170 HydrophobicContact CD1-CB 4.39Å; I147-Y174 HydrophobicContact CB-CD2 4Å; I147-Y174 HydrophobicContact CB-CE2 4.3Å; I147-Y174 HydrophobicContact CG2-CD2 3.65Å; I147-Y174 HydrophobicContact CG2-CE2 3.78Å; I147-Y174 HydrophobicContact CG2-CG 4.27Å
148	E	98.3	Very high	96.1	Very high	26 Å²	26	47.6 Å²	47.6	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-45.3	178.2	178.7	56.8	-164.6	0	0	112.6	V144 E145 W150 R151 S152 Y174 H178	V144-E148 PolarHBondContact O-N 3.3Å; E145-E148 PolarHBondContact O-N 3.03Å; E145-E148 VanDerWaalsContact O-N 3.16Å; E148-W150 VanDerWaalsContact C-N 3.32Å; E148-W150 PolarHBondContact O-N 2.81Å; E148-R151 PolarHBondContact O-N 3.4Å; E148-R151 IonicContact OE1-CZ 2.81Å; E148-R151 IonicContact OE1-NE 3.82Å; E148-R151 PolarHBondContact OE1-NE 3.06Å; E148-R151 IonicContact OE1-NH2 2.74Å; E148-R151 PolarHBondContact OE1-NH2 2.97Å; E148-R151 IonicContact OE2-CZ 2.68Å; E148-R151 IonicContact OE2-NE 2.79Å; E148-R151 PolarHBondContact OE2-NE 3.42Å; E148-R151 IonicContact OE2-NH2 3.62Å; E148-S152 WeakPolarHBondContact O-CB 3.49Å; E148-S152 PolarHBondContact O-N 3.39Å; E148-Y174 HydrophobicContact CB-CE2 4.05Å; E148-Y174 PolarHBondContact OE2-OH 3.36Å; E148-H178 IonicContact OE1-CD2 2.59Å; E148-H178 IonicContact OE2-CD2 3.71Å; E148-H178 IonicContact OE2-NE2 3.97Å
149	Q	97.9	Very high	96.5	Very high	50 Å²	50	46.1 Å²	46.1	23%	0.234	23%	0.227	C	C	.	.	H	α-helix	trans	-65.1	-38.2	176	-66.8	-167.5	18.5	0	0	112	I55 E145 S152 S153	I55-Q149 HydrophobicContact CB-CB 4.14Å; I55-Q149 HydrophobicContact CG2-CB 3.83Å; E145-Q149 HydrophobicContact CG-CG 4.43Å; E145-Q149 WeakPolarHBondContact O-CG 3.36Å; E145-Q149 PolarHBondContact O-N 2.95Å; E145-Q149 VanDerWaalsContact OE1-CG 3.27Å; E145-Q149 WeakPolarHBondContact OE1-CG 3.48Å; E145-Q149 PolarHBondContact OE1-NE2 3.44Å; Q149-S152 PolarHBondContact O-N 3.01Å; Q149-S153 PolarHBondContact O-N 3.44Å; Q149-S153 PolarHBondContact O-OG 2.95Å
150	W	98.1	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-48.8	172.2	168.8	87.8	0	0	0	111.7	I55 I62 T64 V91 Y117 L119 S146 I147 E148 S152 S153 F154 L156	I55-W150 HydrophobicContact CG2-CB 4.49Å; I62-W150 HydrophobicContact CG2-CG 4.22Å; T64-W150 HydrophobicContact CG2-CZ2 3.76Å; T64-W150 VanDerWaalsContact CG2-NE1 3.35Å; T64-W150 PolarHBondContact OG1-NE1 3.13Å; V91-W150 HydrophobicContact CB-CH2 4.33Å; V91-W150 HydrophobicContact CB-CZ3 4.47Å; V91-W150 HydrophobicContact CG1-CH2 3.57Å; V91-W150 HydrophobicContact CG1-CZ3 3.63Å; V91-W150 HydrophobicContact CG2-CH2 3.8Å; V91-W150 HydrophobicContact CG2-CZ3 3.95Å; Y117-W150 HydrophobicContact CD1-CH2 4.16Å; Y117-W150 AromaticContact CD1-CZ2 3.97Å; Y117-W150 HydrophobicContact CD1-CZ2 3.97Å; Y117-W150 HydrophobicContact CG-CH2 4.25Å; Y117-W150 HydrophobicContact CG-CZ2 4.38Å; L119-W150 HydrophobicContact CB-CZ2 4.29Å; L119-W150 HydrophobicContact CD2-CD2 3.59Å; L119-W150 HydrophobicContact CD2-CE3 3.56Å; L119-W150 HydrophobicContact CD2-CG 4.29Å; L119-W150 HydrophobicContact CD2-CH2 3.91Å; L119-W150 HydrophobicContact CD2-CZ2 3.9Å; L119-W150 HydrophobicContact CD2-CZ3 3.73Å; S146-W150 WeakPolarHBondContact O-CB 3.42Å; S146-W150 PolarHBondContact O-N 3.25Å; S146-W150 VanDerWaalsContact O-N 3.13Å; I147-W150 PolarHBondContact O-N 3.4Å; E148-W150 VanDerWaalsContact C-N 3.32Å; E148-W150 PolarHBondContact O-N 2.81Å; W150-S152 VanDerWaalsContact C-N 3.32Å; W150-S152 PolarHBondContact O-N 3.13Å; W150-S153 WeakPolarHBondContact O-CB 3.46Å; W150-S153 PolarHBondContact O-N 3.39Å; W150-F154 AromaticContact CE2-CD2 3.95Å; W150-F154 AromaticContact CE2-CE2 3.91Å; W150-F154 HydrophobicContact CZ2-CD2 4.14Å; W150-F154 HydrophobicContact CZ2-CE2 4.17Å; W150-F154 AromaticContact NE1-CD2 3.98Å; W150-F154 AromaticContact NE1-CE2 3.55Å; W150-L156 HydrophobicContact CH2-CD1 4.09Å; W150-L156 HydrophobicContact CZ3-CD1 4.22Å
151	R	97.6	Very high	97	Very high	13 Å²	13	45 Å²	45	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-47.2	177.6	178.8	-148.7	62.4	72.4	4.3	110.7	I147 E148 S153 F154 N155 L156 F159 Y174	I147-R151 WeakPolarHBondContact O-CB 3.06Å; I147-R151 PolarHBondContact O-N 3.48Å; E148-R151 PolarHBondContact O-N 3.4Å; E148-R151 IonicContact OE1-CZ 2.81Å; E148-R151 IonicContact OE1-NE 3.82Å; E148-R151 PolarHBondContact OE1-NE 3.06Å; E148-R151 IonicContact OE1-NH2 2.74Å; E148-R151 PolarHBondContact OE1-NH2 2.97Å; E148-R151 IonicContact OE2-CZ 2.68Å; E148-R151 IonicContact OE2-NE 2.79Å; E148-R151 PolarHBondContact OE2-NE 3.42Å; E148-R151 IonicContact OE2-NH2 3.62Å; R151-S153 VanDerWaalsContact C-N 3.27Å; R151-S153 PolarHBondContact O-N 3.39Å; R151-F154 PolarHBondContact O-N 3.2Å; R151-F154 VanDerWaalsContact O-N 3.17Å; R151-N155 PolarHBondContact O-N 2.53Å; R151-L156 WeakPolarHBondContact CD-O 3.32Å; R151-L156 HydrophobicContact CG-CB 3.79Å; R151-L156 WeakPolarHBondContact CG-O 3.31Å; R151-L156 PolarHBondContact NH1-O 2.83Å; R151-L156 PolarHBondContact O-N 2.96Å; R151-F159 VanDerWaalsContact CD-CE1 3.46Å; R151-F159 HydrophobicContact CG-CD1 4.32Å; R151-F159 HydrophobicContact CG-CE1 3.75Å; R151-F159 HydrophobicContact CG-CZ 4.44Å; R151-Y174 VanDerWaalsContact CD-OH 3.27Å; R151-Y174 WeakPolarHBondContact CD-OH 3.36Å
152	S	97	Very high	97.1	Very high	59 Å²	59	40.4 Å²	40.4	41%	0.413	20%	0.199	S	C	.	.	H	α-helix	trans	-58.6	-39.3	179.2	-168.3	0	0	0	0	111.6	E148 Q149 W150 F154 N155	E148-S152 WeakPolarHBondContact O-CB 3.49Å; E148-S152 PolarHBondContact O-N 3.39Å; Q149-S152 PolarHBondContact O-N 3.01Å; W150-S152 VanDerWaalsContact C-N 3.32Å; W150-S152 PolarHBondContact O-N 3.13Å; S152-F154 PolarHBondContact O-N 3.2Å; S152-N155 PolarHBondContact O-N 3.37Å; S152-N155 PolarHBondContact O-OD1 3.1Å
153	S	96.1	Very high	97.2	Very high	30 Å²	30	37.7 Å²	37.7	21%	0.21	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-24.2	178.8	-64.5	0	0	0	0	114.6	V53 Q149 W150 R151	V53-S153 VanDerWaalsContact CG1-CB 3.43Å; Q149-S153 PolarHBondContact O-N 3.44Å; Q149-S153 PolarHBondContact O-OG 2.95Å; W150-S153 WeakPolarHBondContact O-CB 3.46Å; W150-S153 PolarHBondContact O-N 3.39Å; R151-S153 VanDerWaalsContact C-N 3.27Å; R151-S153 PolarHBondContact O-N 3.39Å
154	F	95.6	Very high	97.1	Very high	36 Å²	36	37.3 Å²	37.3	16%	0.158	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.7	173.5	-77.5	-71.6	0	0	0	113.7	A2 F51 V53 T64 V66 Y117 W150 R151 S152 L156	A2-F154 HydrophobicContact CB-CD1 4.48Å; A2-F154 HydrophobicContact CB-CE1 3.98Å; A2-F154 HydrophobicContact CB-CZ 4.07Å; F51-F154 HydrophobicContact CB-CZ 4.42Å; F51-F154 HydrophobicContact CD2-CE1 4.31Å; F51-F154 AromaticContact CD2-CZ 3.98Å; F51-F154 HydrophobicContact CD2-CZ 3.98Å; F51-F154 HydrophobicContact CE2-CE1 4.37Å; F51-F154 HydrophobicContact CE2-CZ 4.47Å; F51-F154 HydrophobicContact CG-CZ 4.13Å; V53-F154 HydrophobicContact CG2-CD2 4.48Å; V53-F154 HydrophobicContact CG2-CE2 3.53Å; V53-F154 HydrophobicContact CG2-CZ 3.88Å; T64-F154 HydrophobicContact CG2-CE2 3.73Å; T64-F154 HydrophobicContact CG2-CZ 3.93Å; V66-F154 HydrophobicContact CG2-CE1 4.07Å; V66-F154 HydrophobicContact CG2-CZ 4.19Å; Y117-F154 HydrophobicContact CD1-CD2 4.37Å; Y117-F154 HydrophobicContact CD1-CE2 4.48Å; Y117-F154 HydrophobicContact CD1-CG 4.39Å; Y117-F154 HydrophobicContact CE1-CB 4.25Å; Y117-F154 AromaticContact CE1-CD1 3.71Å; Y117-F154 HydrophobicContact CE1-CD1 3.71Å; Y117-F154 HydrophobicContact CE1-CD2 4.24Å; Y117-F154 HydrophobicContact CE1-CE1 4.03Å; Y117-F154 AromaticContact CE1-CG 3.82Å; Y117-F154 HydrophobicContact CE1-CG 3.82Å; Y117-F154 HydrophobicContact CE1-CZ 4.41Å; W150-F154 AromaticContact CE2-CD2 3.95Å; W150-F154 AromaticContact CE2-CE2 3.91Å; W150-F154 HydrophobicContact CZ2-CD2 4.14Å; W150-F154 HydrophobicContact CZ2-CE2 4.17Å; W150-F154 AromaticContact NE1-CD2 3.98Å; W150-F154 AromaticContact NE1-CE2 3.55Å; R151-F154 PolarHBondContact O-N 3.2Å; R151-F154 VanDerWaalsContact O-N 3.17Å; S152-F154 PolarHBondContact O-N 3.2Å; F154-L156 HydrophobicContact CB-CD1 4.31Å; F154-L156 HydrophobicContact CB-CD2 4.18Å; F154-L156 HydrophobicContact CB-CG 3.79Å; F154-L156 PolarHBondContact O-N 3.28Å
155	N	95.6	Very high	97	Very high	134 Å²	134	38.3 Å²	38.3	72%	0.717	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.1	-176.2	-57.8	-49.8	0	0	0	113.6	R151 S152 E157	R151-N155 PolarHBondContact O-N 2.53Å; S152-N155 PolarHBondContact O-N 3.37Å; S152-N155 PolarHBondContact O-OD1 3.1Å; N155-E157 PolarHBondContact O-N 3.46Å
156	L	96.3	Very high	96.7	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.063	18%	0.18	C	C	.	.			trans	-76.3	97.8	179.4	-56.2	-179.3	0	0	0	109.9	P89 V91 Y117 W150 R151 F154 F159	P89-L156 HydrophobicContact CG-CD2 4.04Å; V91-L156 HydrophobicContact CG2-CD1 4.11Å; Y117-L156 HydrophobicContact CD1-CD1 4.3Å; Y117-L156 HydrophobicContact CD2-CD1 4.42Å; Y117-L156 HydrophobicContact CE1-CD1 4.4Å; Y117-L156 HydrophobicContact CE1-CD2 4.38Å; Y117-L156 HydrophobicContact CE2-CD2 4.09Å; Y117-L156 HydrophobicContact CG-CD1 4.33Å; W150-L156 HydrophobicContact CH2-CD1 4.09Å; W150-L156 HydrophobicContact CZ3-CD1 4.22Å; R151-L156 WeakPolarHBondContact CD-O 3.32Å; R151-L156 HydrophobicContact CG-CB 3.79Å; R151-L156 WeakPolarHBondContact CG-O 3.31Å; R151-L156 PolarHBondContact NH1-O 2.83Å; R151-L156 PolarHBondContact O-N 2.96Å; F154-L156 HydrophobicContact CB-CD1 4.31Å; F154-L156 HydrophobicContact CB-CD2 4.18Å; F154-L156 HydrophobicContact CB-CG 3.79Å; F154-L156 PolarHBondContact O-N 3.28Å; L156-F159 HydrophobicContact CB-CD1 4.29Å
157	E	96.1	Very high	96.7	Very high	150 Å²	150	35 Å²	35	70%	0.701	18%	0.179	S	C	*	.	S	Bend	trans	-66.3	-44.4	-178.8	-66.6	-170.6	170.3	0	0	112.8	N155 R181	N155-E157 PolarHBondContact O-N 3.46Å; E157-R181 VanDerWaalsContact O-CD 3.25Å; E157-R181 WeakPolarHBondContact O-CD 3.22Å; E157-R181 PolarHBondContact O-NH1 3.27Å
158	K	96.9	Very high	96.5	Very high	130 Å²	130	35 Å²	35	57%	0.565	18%	0.179	S	C	*	.	S	Bend	trans	-142	141.8	178.7	-72.6	-170.1	179.9	-177.9	0	110.6	R181 V183	K158-R181 CarbonylContact C-O 3.59Å; K158-R181 VanDerWaalsContact CA-O 3.29Å; K158-R181 WeakPolarHBondContact CA-O 3.5Å; K158-V183 HydrophobicContact CB-CG2 3.73Å; K158-V183 HydrophobicContact CD-CG2 4.14Å; K158-V183 HydrophobicContact CG-CG2 4.32Å
159	F	98.2	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	166.3	-179.5	60.7	-83.9	0	0	0	111.9	P89 V91 R151 L156 L161 Y174 R181 V182 V183	P89-F159 HydrophobicContact CG-CB 4.01Å; P89-F159 CarbonylContact O-C 3.57Å; P89-F159 WeakPolarHBondContact O-CA 3.13Å; P89-F159 WeakPolarHBondContact O-CB 3.07Å; V91-F159 HydrophobicContact CB-CD2 3.78Å; V91-F159 HydrophobicContact CB-CE2 4.04Å; V91-F159 HydrophobicContact CG2-CB 4.11Å; V91-F159 HydrophobicContact CG2-CD2 3.32Å; V91-F159 HydrophobicContact CG2-CE2 3.83Å; V91-F159 HydrophobicContact CG2-CG 3.82Å; R151-F159 VanDerWaalsContact CD-CE1 3.46Å; R151-F159 HydrophobicContact CG-CD1 4.32Å; R151-F159 HydrophobicContact CG-CE1 3.75Å; R151-F159 HydrophobicContact CG-CZ 4.44Å; L156-F159 HydrophobicContact CB-CD1 4.29Å; F159-L161 HydrophobicContact CD2-CB 4.18Å; F159-L161 HydrophobicContact CE2-CB 3.82Å; F159-L161 HydrophobicContact CE2-CD1 4.03Å; F159-L161 HydrophobicContact CE2-CD2 4.25Å; F159-L161 HydrophobicContact CE2-CG 4.23Å; F159-Y174 HydrophobicContact CE1-CE1 4.22Å; F159-Y174 HydrophobicContact CE2-CE1 4.39Å; F159-Y174 HydrophobicContact CZ-CD1 4.32Å; F159-Y174 AromaticContact CZ-CE1 3.48Å; F159-Y174 HydrophobicContact CZ-CE1 3.48Å; F159-Y174 VanDerWaalsContact CZ-CE1 3.48Å; F159-Y174 AromaticContact CZ-CZ 3.93Å; F159-R181 HydrophobicContact CE1-CB 3.87Å; F159-R181 PolarHBondContact N-O 2.96Å; F159-V182 HydrophobicContact CE2-CG2 4.38Å; F159-V182 HydrophobicContact CZ-CG2 4.28Å; F159-V182 WeakPolarHBondContact O-CA 3.43Å; F159-V183 PolarHBondContact O-N 3.03Å
160	I	98.2	Very high	96.2	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.046	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.2	169.3	-64.8	165.5	0	0	0	107.8	I88 P89 I90 V91 H184 I186	I88-I160 HydrophobicContact CG2-CD1 4.43Å; I88-I160 HydrophobicContact CG2-CG1 4.1Å; P89-I160 PolarHBondContact O-N 3.13Å; I90-I160 CarbonylContact C-O 3.59Å; I90-I160 WeakPolarHBondContact CA-O 3.49Å; I90-I160 HydrophobicContact CB-CB 4.22Å; I90-I160 HydrophobicContact CD1-CG2 4.01Å; I90-I160 HydrophobicContact CG1-CB 4.07Å; I90-I160 HydrophobicContact CG1-CG2 3.89Å; V91-I160 PolarHBondContact N-O 3.43Å; I160-H184 WeakPolarHBondContact CA-O 3.16Å; I160-H184 HydrophobicContact CG1-CB 4.19Å; I160-H184 HydrophobicContact CG2-CB 4.17Å; I160-I186 HydrophobicContact CG2-CD1 3.74Å; I160-I186 HydrophobicContact CG2-CG1 4.24Å
161	L	98.3	Very high	96.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.9	-178.3	-176.3	51.7	0	0	0	109.9	V91 V93 F159 A171 Y174 V182 H184 L185 I186	V91-L161 HydrophobicContact CB-CD1 4.14Å; V91-L161 HydrophobicContact CG1-CD1 4.09Å; V93-L161 HydrophobicContact CG2-CD1 3.64Å; F159-L161 HydrophobicContact CD2-CB 4.18Å; F159-L161 HydrophobicContact CE2-CB 3.82Å; F159-L161 HydrophobicContact CE2-CD1 4.03Å; F159-L161 HydrophobicContact CE2-CD2 4.25Å; F159-L161 HydrophobicContact CE2-CG 4.23Å; L161-A171 HydrophobicContact CD1-CB 4.36Å; L161-A171 HydrophobicContact CD2-CB 3.85Å; L161-A171 HydrophobicContact CG-CB 3.76Å; L161-Y174 HydrophobicContact CD2-CD1 3.56Å; L161-Y174 HydrophobicContact CD2-CE1 4.41Å; L161-Y174 HydrophobicContact CD2-CG 4.14Å; L161-V182 HydrophobicContact CB-CG1 3.93Å; L161-V182 HydrophobicContact CB-CG2 4.24Å; L161-V182 HydrophobicContact CD2-CG2 4.04Å; L161-H184 PolarHBondContact N-O 3.43Å; L161-L185 HydrophobicContact CB-CD1 4.3Å; L161-L185 HydrophobicContact CD2-CD1 4.39Å; L161-L185 HydrophobicContact CG-CD1 4.28Å; L161-L185 CarbonylContact O-C 3.55Å; L161-L185 WeakPolarHBondContact O-CA 3.32Å; L161-I186 PolarHBondContact O-N 3.45Å
162	L	97.8	Very high	96	Very high	10 Å²	10	31.7 Å²	31.7	5%	0.052	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.5	176.5	-171.1	164.1	0	0	0	109.5	I90 V91 L92 V93 W103 F110 I186	I90-L162 HydrophobicContact CD1-CB 4.23Å; I90-L162 HydrophobicContact CD1-CD1 4.16Å; I90-L162 HydrophobicContact CG1-CB 4.45Å; V91-L162 PolarHBondContact O-N 2.9Å; L92-L162 WeakPolarHBondContact CA-O 3.26Å; L92-L162 HydrophobicContact CD2-CB 3.87Å; L92-L162 HydrophobicContact CD2-CD1 4.07Å; L92-L162 HydrophobicContact CD2-CD2 4.39Å; L92-L162 HydrophobicContact CD2-CG 4.33Å; V93-L162 PolarHBondContact N-O 2.89Å; W103-L162 HydrophobicContact CH2-CD2 3.13Å; W103-L162 HydrophobicContact CZ2-CD2 3.79Å; W103-L162 HydrophobicContact CZ3-CD2 3.7Å; F110-L162 HydrophobicContact CE2-CD1 4.2Å; F110-L162 HydrophobicContact CZ-CD1 3.81Å; L162-I186 WeakPolarHBondContact CA-O 3.43Å; L162-I186 HydrophobicContact CB-CB 4.06Å; L162-I186 HydrophobicContact CD1-CB 4.26Å; L162-I186 HydrophobicContact CD1-CD1 4.31Å; L162-I186 HydrophobicContact CD1-CG2 3.92Å; L162-I186 HydrophobicContact CG-CB 3.86Å; L162-I186 HydrophobicContact CG-CG2 3.8Å
163	G	96.7	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.7	177.9	0	0	0	0	0	112.5	G167 G168 I186 A188	G163-G167 VanDerWaalsContact CA-C 3.44Å; G163-G167 WeakPolarHBondContact CA-O 3.4Å; G163-G168 VanDerWaalsContact C-N 3.33Å; G163-I186 PolarHBondContact N-O 3.34Å; G163-A188 PolarHBondContact O-N 2.91Å
164	H	94.6	Very high	96	Very high	34 Å²	34	27.5 Å²	27.5	16%	0.157	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131	173.8	171.7	-108	0	0	0	112.8	V93 G95 W103 L166 G167 A188 F269	V93-H164 PolarHBondContact O-N 3.16Å; G95-H164 WeakPolarHBondContact CA-O 3.25Å; G95-H164 PolarHBondContact N-O 3.19Å; W103-H164 HydrophobicContact CH2-CB 3.56Å; W103-H164 HydrophobicContact CZ2-CB 3.85Å; H164-L166 PolarHBondContact O-N 2.97Å; H164-G167 WeakPolarHBondContact O-CA 3.39Å; H164-G167 PolarHBondContact O-N 3.05Å; H164-A188 WeakPolarHBondContact CA-O 3.37Å; H164-A188 HydrophobicContact CB-CB 4.13Å; H164-A188 PolarHBondContact CD2-O 2.87Å; H164-F269 AromaticContact CE1-CE1 3.6Å; H164-F269 AromaticContact CE1-CZ 3.58Å; H164-F269 AromaticContact NE2-CE1 3.28Å; H164-F269 VanDerWaalsContact NE2-CE1 3.28Å; H164-F269 WeakPolarHBondContact NE2-CE1 3.43Å; H164-F269 AromaticContact NE2-CZ 3.47Å; H164-F269 WeakPolarHBondContact NE2-CZ 3.45Å
165	S	93.2	Very high	96	Very high	30 Å²	30	26.6 Å²	26.6	21%	0.21	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-120.1	179.4	-176.1	0	0	0	0	111.9	G167 G168 F169 A188 D189 W191	S165-G167 PolarHBondContact O-N 3.18Å; S165-G168 WeakPolarHBondContact O-CA 3.29Å; S165-G168 PolarHBondContact O-N 3.42Å; S165-F169 PolarHBondContact O-N 3.19Å; S165-A188 PolarHBondContact N-O 2.72Å; S165-A188 VanDerWaalsContact N-O 3.08Å; S165-D189 WeakPolarHBondContact CA-O 3.22Å; S165-D189 PolarHBondContact N-O 2.99Å; S165-W191 PolarHBondContact O-N 3.35Å
166	L	93.2	Very high	96	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.052	11%	0.114	C	C	.	.	H	α-helix	trans	-52.7	-37.6	171.4	-178.5	60.8	0	0	0	112.3	F96 F124 H164 G168 F169 L170 W191	F96-L166 HydrophobicContact CB-CB 4.09Å; F96-L166 HydrophobicContact CB-CD2 4.02Å; F96-L166 HydrophobicContact CD2-CD2 4.14Å; F124-L166 HydrophobicContact CE2-CD2 4.02Å; F124-L166 HydrophobicContact CZ-CD2 3.94Å; H164-L166 PolarHBondContact O-N 2.97Å; L166-G168 PolarHBondContact O-N 2.9Å; L166-F169 HydrophobicContact CD1-CD1 4.24Å; L166-F169 WeakPolarHBondContact O-CB 3.18Å; L166-F169 PolarHBondContact O-N 2.78Å; L166-L170 HydrophobicContact CG-CD1 4.38Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.17Å; L166-W191 HydrophobicContact CB-CE3 3.86Å; L166-W191 HydrophobicContact CB-CZ3 4.35Å; L166-W191 HydrophobicContact CD1-CE3 3.83Å; L166-W191 HydrophobicContact CD1-CZ3 4.09Å; L166-W191 HydrophobicContact CG-CE3 4.37Å
167	G	95.7	Very high	95.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-29.7	175.5	0	0	0	0	0	112.5	H94 G163 H164 S165 A171	H94-G167 VanDerWaalsContact O-CA 3.29Å; H94-G167 WeakPolarHBondContact O-CA 3.49Å; H94-G167 PolarHBondContact O-N 3.46Å; G163-G167 VanDerWaalsContact CA-C 3.44Å; G163-G167 WeakPolarHBondContact CA-O 3.4Å; H164-G167 WeakPolarHBondContact O-CA 3.39Å; H164-G167 PolarHBondContact O-N 3.05Å; S165-G167 PolarHBondContact O-N 3.18Å; G167-A171 WeakPolarHBondContact O-CB 3.22Å; G167-A171 PolarHBondContact O-N 3.33Å
168	G	94.8	Very high	96	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-43.4	173	0	0	0	0	0	112.4	G163 S165 L166 A171 C172	G163-G168 VanDerWaalsContact C-N 3.33Å; S165-G168 WeakPolarHBondContact O-CA 3.29Å; S165-G168 PolarHBondContact O-N 3.42Å; L166-G168 PolarHBondContact O-N 2.9Å; G168-A171 PolarHBondContact O-N 2.85Å; G168-C172 PolarHBondContact O-N 2.86Å; G168-C172 PolarHBondContact O-SG 2.97Å
169	F	93.7	Very high	95.9	Very high	12 Å²	12	18 Å²	18	5%	0.053	11%	0.107	C	C	.	.	H	α-helix	trans	-55.3	-52.1	171	169.2	-90.3	0	0	0	111.2	E140 S165 L166 A171 C172 S173 W191 E280 L283 Y287	E140-F169 HydrophobicContact CG-CE1 4.01Å; E140-F169 HydrophobicContact CG-CZ 4.14Å; S165-F169 PolarHBondContact O-N 3.19Å; L166-F169 HydrophobicContact CD1-CD1 4.24Å; L166-F169 WeakPolarHBondContact O-CB 3.18Å; L166-F169 PolarHBondContact O-N 2.78Å; F169-A171 PolarHBondContact O-N 3Å; F169-C172 WeakPolarHBondContact O-CB 3.48Å; F169-C172 PolarHBondContact O-N 3.32Å; F169-S173 PolarHBondContact O-N 2.83Å; F169-W191 HydrophobicContact CB-CB 4.26Å; F169-W191 WeakPolarHBondContact CB-O 3.46Å; F169-E280 WeakPolarHBondContact CE2-OE1 3.5Å; F169-E280 WeakPolarHBondContact CE2-OE2 3.43Å; F169-L283 HydrophobicContact CD2-CD2 3.78Å; F169-L283 HydrophobicContact CE2-CD1 3.4Å; F169-L283 HydrophobicContact CE2-CD2 3.24Å; F169-L283 HydrophobicContact CE2-CG 3.88Å; F169-L283 HydrophobicContact CZ-CD1 3.48Å; F169-L283 VanDerWaalsContact CZ-CD1 3.48Å; F169-L283 HydrophobicContact CZ-CD2 4.18Å; F169-L283 HydrophobicContact CZ-CG 4.41Å; F169-Y287 PolarHBondContact O-OH 2.98Å
170	L	95.8	Very high	95.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-39.1	-179.3	-68.2	179.4	0	0	0	112	V121 W143 I147 L166 C172 S173 Y174	V121-L170 HydrophobicContact CG1-CD1 3.63Å; V121-L170 HydrophobicContact CG2-CD1 4.13Å; W143-L170 HydrophobicContact CB-CD1 4.34Å; W143-L170 HydrophobicContact CB-CD2 3.64Å; W143-L170 HydrophobicContact CD2-CD1 4.46Å; W143-L170 HydrophobicContact CD2-CD2 4.07Å; W143-L170 HydrophobicContact CE3-CD2 3.7Å; W143-L170 HydrophobicContact CG-CD1 4.36Å; W143-L170 HydrophobicContact CG-CD2 4.11Å; I147-L170 HydrophobicContact CD1-CB 4.39Å; L166-L170 HydrophobicContact CG-CD1 4.38Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.17Å; L170-C172 VanDerWaalsContact C-N 3.27Å; L170-C172 PolarHBondContact O-N 2.86Å; L170-S173 PolarHBondContact O-N 3.36Å; L170-Y174 VanDerWaalsContact O-CB 3.26Å; L170-Y174 WeakPolarHBondContact O-CB 3.37Å; L170-Y174 PolarHBondContact O-N 2.89Å
171	A	96.7	Very high	95.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-38.7	176.2	0	0	0	0	0	111.9	L161 G167 G168 F169 A175 L185 L187	L161-A171 HydrophobicContact CD1-CB 4.36Å; L161-A171 HydrophobicContact CD2-CB 3.85Å; L161-A171 HydrophobicContact CG-CB 3.76Å; G167-A171 WeakPolarHBondContact O-CB 3.22Å; G167-A171 PolarHBondContact O-N 3.33Å; G168-A171 PolarHBondContact O-N 2.85Å; F169-A171 PolarHBondContact O-N 3Å; A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.47Å; A171-A175 PolarHBondContact O-N 3.27Å; A171-L185 HydrophobicContact CB-CD1 3.73Å; A171-L187 HydrophobicContact CB-CD2 4.44Å
172	C	95.1	Very high	95.8	Very high	7 Å²	7	26.7 Å²	26.7	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-68.9	-46.7	175.3	-64.1	0	0	0	0	112.3	G168 F169 L170 Y174 A175 L176 L187 F193 Y287	G168-C172 PolarHBondContact O-N 2.86Å; G168-C172 PolarHBondContact O-SG 2.97Å; F169-C172 WeakPolarHBondContact O-CB 3.48Å; F169-C172 PolarHBondContact O-N 3.32Å; L170-C172 VanDerWaalsContact C-N 3.27Å; L170-C172 PolarHBondContact O-N 2.86Å; C172-Y174 VanDerWaalsContact C-N 3.27Å; C172-Y174 PolarHBondContact O-N 3.28Å; C172-A175 PolarHBondContact O-N 3.23Å; C172-L176 WeakPolarHBondContact O-CB 3.37Å; C172-L176 PolarHBondContact O-N 2.64Å; C172-L187 WeakPolarHBondContact SG-CD1 3.36Å; C172-L187 WeakPolarHBondContact SG-CD2 3.19Å; C172-F193 HydrophobicContact CB-CZ 4.14Å; C172-F193 WeakPolarHBondContact SG-CZ 3.35Å; C172-Y287 HydrophobicContact CB-CD1 4.29Å; C172-Y287 HydrophobicContact CB-CE1 3.42Å; C172-Y287 VanDerWaalsContact CB-CE1 3.42Å
173	S	94.9	Very high	95.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-40	177.3	-176.7	0	0	0	0	111.7	E140 V144 F169 L170 L176 T177	E140-S173 WeakPolarHBondContact CG-OG 3.43Å; E140-S173 VanDerWaalsContact OE1-CB 3.25Å; E140-S173 WeakPolarHBondContact OE1-CB 3.26Å; E140-S173 PolarHBondContact OE1-OG 3.47Å; V144-S173 VanDerWaalsContact CG2-OG 3.26Å; V144-S173 WeakPolarHBondContact CG2-OG 3.33Å; F169-S173 PolarHBondContact O-N 2.83Å; L170-S173 PolarHBondContact O-N 3.36Å; S173-L176 WeakPolarHBondContact O-CB 3.47Å; S173-L176 PolarHBondContact O-N 2.69Å; S173-T177 PolarHBondContact O-N 3.28Å; S173-T177 PolarHBondContact O-OG1 2.82Å
174	Y	97.7	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-49.8	173	-176.9	-85.3	0	0	0	111.9	V144 I147 E148 R151 F159 L161 L170 C172 L176 T177 H178 R181 V182	V144-Y174 HydrophobicContact CG1-CD2 4.11Å; I147-Y174 HydrophobicContact CB-CD2 4Å; I147-Y174 HydrophobicContact CB-CE2 4.3Å; I147-Y174 HydrophobicContact CG2-CD2 3.65Å; I147-Y174 HydrophobicContact CG2-CE2 3.78Å; I147-Y174 HydrophobicContact CG2-CG 4.27Å; E148-Y174 HydrophobicContact CB-CE2 4.05Å; E148-Y174 PolarHBondContact OE2-OH 3.36Å; R151-Y174 VanDerWaalsContact CD-OH 3.27Å; R151-Y174 WeakPolarHBondContact CD-OH 3.36Å; F159-Y174 HydrophobicContact CE1-CE1 4.22Å; F159-Y174 HydrophobicContact CE2-CE1 4.39Å; F159-Y174 HydrophobicContact CZ-CD1 4.32Å; F159-Y174 AromaticContact CZ-CE1 3.48Å; F159-Y174 HydrophobicContact CZ-CE1 3.48Å; F159-Y174 VanDerWaalsContact CZ-CE1 3.48Å; F159-Y174 AromaticContact CZ-CZ 3.93Å; L161-Y174 HydrophobicContact CD2-CD1 3.56Å; L161-Y174 HydrophobicContact CD2-CE1 4.41Å; L161-Y174 HydrophobicContact CD2-CG 4.14Å; L170-Y174 VanDerWaalsContact O-CB 3.26Å; L170-Y174 WeakPolarHBondContact O-CB 3.37Å; L170-Y174 PolarHBondContact O-N 2.89Å; C172-Y174 VanDerWaalsContact C-N 3.27Å; C172-Y174 PolarHBondContact O-N 3.28Å; Y174-L176 PolarHBondContact O-N 3.16Å; Y174-T177 PolarHBondContact O-N 2.86Å; Y174-T177 VanDerWaalsContact O-N 3.15Å; Y174-T177 PolarHBondContact O-OG1 3.26Å; Y174-H178 HydrophobicContact CD1-CB 4.33Å; Y174-H178 HydrophobicContact CE1-CB 3.74Å; Y174-H178 HydrophobicContact CE2-CB 4.17Å; Y174-H178 AromaticContact CE2-CG 3.96Å; Y174-H178 AromaticContact CE2-ND1 3.82Å; Y174-H178 AromaticContact CZ-CG 3.88Å; Y174-H178 WeakPolarHBondContact O-CB 3.48Å; Y174-H178 PolarHBondContact O-N 3.41Å; Y174-R181 HydrophobicContact CE1-CB 4.39Å; Y174-V182 HydrophobicContact CD1-CG2 3.82Å; Y174-V182 HydrophobicContact CE1-CG2 3.77Å
175	A	96.7	Very high	95.8	Very high	16 Å²	16	34.5 Å²	34.5	13%	0.132	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-30	179.7	0	0	0	0	0	112.9	A171 C172 S179 V182 L185	A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.47Å; A171-A175 PolarHBondContact O-N 3.27Å; C172-A175 PolarHBondContact O-N 3.23Å; A175-S179 WeakPolarHBondContact O-CA 3.49Å; A175-S179 VanDerWaalsContact O-CB 3.3Å; A175-S179 WeakPolarHBondContact O-CB 3.49Å; A175-S179 PolarHBondContact O-N 3.37Å; A175-S179 VanDerWaalsContact O-N 3.15Å; A175-V182 HydrophobicContact CB-CB 4.4Å; A175-V182 HydrophobicContact CB-CG1 4.45Å; A175-V182 HydrophobicContact CB-CG2 4.15Å; A175-L185 HydrophobicContact CB-CD1 4.34Å; A175-L185 HydrophobicContact CB-CD2 4.04Å
176	L	94.8	Very high	96	Very high	56 Å²	56	36.5 Å²	36.5	29%	0.293	20%	0.198	S	C	.	.	H	α-helix	trans	-65.3	-40	174.1	-94.4	169.4	0	0	0	113.1	C172 S173 Y174 Y287 V290	C172-L176 WeakPolarHBondContact O-CB 3.37Å; C172-L176 PolarHBondContact O-N 2.64Å; S173-L176 WeakPolarHBondContact O-CB 3.47Å; S173-L176 PolarHBondContact O-N 2.69Å; Y174-L176 PolarHBondContact O-N 3.16Å; L176-Y287 HydrophobicContact CD1-CD2 3.97Å; L176-Y287 HydrophobicContact CD1-CE2 3.86Å; L176-V290 HydrophobicContact CD1-CG2 3.92Å; L176-V290 HydrophobicContact CD2-CG2 3.11Å; L176-V290 HydrophobicContact CG-CG2 3.51Å
177	T	95.1	Very high	96	Very high	71 Å²	71	38.7 Å²	38.7	44%	0.436	21%	0.209	S	C	.	.	H	α-helix	trans	-90.3	-30.6	-176.2	49	0	0	0	0	112.6	V144 S173 Y174	V144-T177 WeakPolarHBondContact CG1-OG1 3.33Å; S173-T177 PolarHBondContact O-N 3.28Å; S173-T177 PolarHBondContact O-OG1 2.82Å; Y174-T177 PolarHBondContact O-N 2.86Å; Y174-T177 VanDerWaalsContact O-N 3.15Å; Y174-T177 PolarHBondContact O-OG1 3.26Å
178	H	96.9	Very high	95.8	Very high	38 Å²	38	40.3 Å²	40.3	18%	0.176	22%	0.222	C	C	.	.			trans	-125.1	43.7	-174.5	-60.3	85.3	0	0	0	111.8	E148 Y174 N180 R181	E148-H178 IonicContact OE1-CD2 2.59Å; E148-H178 IonicContact OE2-CD2 3.71Å; E148-H178 IonicContact OE2-NE2 3.97Å; Y174-H178 HydrophobicContact CD1-CB 4.33Å; Y174-H178 HydrophobicContact CE1-CB 3.74Å; Y174-H178 HydrophobicContact CE2-CB 4.17Å; Y174-H178 AromaticContact CE2-CG 3.96Å; Y174-H178 AromaticContact CE2-ND1 3.82Å; Y174-H178 AromaticContact CZ-CG 3.88Å; Y174-H178 WeakPolarHBondContact O-CB 3.48Å; Y174-H178 PolarHBondContact O-N 3.41Å; H178-N180 PolarHBondContact O-N 3.42Å; H178-N180 VanDerWaalsContact O-N 3.08Å; H178-R181 HydrophobicContact CB-CB 4.38Å; H178-R181 HydrophobicContact CB-CG 3.99Å; H178-R181 WeakPolarHBondContact O-CB 3.21Å; H178-R181 PolarHBondContact O-N 3.36Å
179	S	94.8	Very high	95.6	Very high	82 Å²	82	42.6 Å²	42.6	57%	0.573	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.3	-174.6	60.1	0	0	0	0	114.8	A175 R181	A175-S179 WeakPolarHBondContact O-CA 3.49Å; A175-S179 VanDerWaalsContact O-CB 3.3Å; A175-S179 WeakPolarHBondContact O-CB 3.49Å; A175-S179 PolarHBondContact O-N 3.37Å; A175-S179 VanDerWaalsContact O-N 3.15Å; S179-R181 PolarHBondContact O-N 3.16Å
180	N	97	Very high	95.3	Very high	101 Å²	101	43.2 Å²	43.2	54%	0.54	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.8	176.4	63.9	-46.1	0	0	0	114.1	H178	H178-N180 PolarHBondContact O-N 3.42Å; H178-N180 VanDerWaalsContact O-N 3.08Å
181	R	97.6	Very high	94.7	Very high	69 Å²	69	47.1 Å²	47.1	26%	0.26	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-28.5	179.7	-54.8	-58.9	-173.5	-175.1	-1.2	113.1	E157 K158 F159 Y174 H178 S179	E157-R181 VanDerWaalsContact O-CD 3.25Å; E157-R181 WeakPolarHBondContact O-CD 3.22Å; E157-R181 PolarHBondContact O-NH1 3.27Å; K158-R181 CarbonylContact C-O 3.59Å; K158-R181 VanDerWaalsContact CA-O 3.29Å; K158-R181 WeakPolarHBondContact CA-O 3.5Å; F159-R181 HydrophobicContact CE1-CB 3.87Å; F159-R181 PolarHBondContact N-O 2.96Å; Y174-R181 HydrophobicContact CE1-CB 4.39Å; H178-R181 HydrophobicContact CB-CB 4.38Å; H178-R181 HydrophobicContact CB-CG 3.99Å; H178-R181 WeakPolarHBondContact O-CB 3.21Å; H178-R181 PolarHBondContact O-N 3.36Å; S179-R181 PolarHBondContact O-N 3.16Å
182	V	97.9	Very high	93.5	Very high	22 Å²	22	48.7 Å²	48.7	13%	0.133	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.8	-173.4	-178.7	0	0	0	0	110.2	F159 L161 Y174 A175 H184 L185	F159-V182 HydrophobicContact CE2-CG2 4.38Å; F159-V182 HydrophobicContact CZ-CG2 4.28Å; F159-V182 WeakPolarHBondContact O-CA 3.43Å; L161-V182 HydrophobicContact CB-CG1 3.93Å; L161-V182 HydrophobicContact CB-CG2 4.24Å; L161-V182 HydrophobicContact CD2-CG2 4.04Å; Y174-V182 HydrophobicContact CD1-CG2 3.82Å; Y174-V182 HydrophobicContact CE1-CG2 3.77Å; A175-V182 HydrophobicContact CB-CB 4.4Å; A175-V182 HydrophobicContact CB-CG1 4.45Å; A175-V182 HydrophobicContact CB-CG2 4.15Å; V182-H184 WeakPolarHBondContact CG1-O 3.41Å; V182-L185 HydrophobicContact CG1-CB 4.24Å
183	V	96.8	Very high	91.8	Very high	53 Å²	53	53 Å²	53	32%	0.321	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-43.8	178.2	-175.8	0	0	0	0	111	I88 K158 F159	I88-V183 HydrophobicContact CD1-CG1 4.19Å; I88-V183 HydrophobicContact CD1-CG2 4.29Å; I88-V183 HydrophobicContact CG2-CB 4.48Å; I88-V183 HydrophobicContact CG2-CG2 4.09Å; K158-V183 HydrophobicContact CB-CG2 3.73Å; K158-V183 HydrophobicContact CD-CG2 4.14Å; K158-V183 HydrophobicContact CG-CG2 4.32Å; F159-V183 PolarHBondContact O-N 3.03Å
184	H	97.2	Very high	89.9	Confident	119 Å²	119	57.1 Å²	57.1	55%	0.551	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.3	172	-64.7	-65.9	0	0	0	109.9	I160 L161 V182	I160-H184 WeakPolarHBondContact CA-O 3.16Å; I160-H184 HydrophobicContact CG1-CB 4.19Å; I160-H184 HydrophobicContact CG2-CB 4.17Å; L161-H184 PolarHBondContact N-O 3.43Å; V182-H184 WeakPolarHBondContact CG1-O 3.41Å
185	L	96.6	Very high	87.7	Confident	35 Å²	35	63 Å²	63	18%	0.183	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.2	174.6	179.9	64.3	0	0	0	108.9	L161 A171 A175 V182 L187	L161-L185 HydrophobicContact CB-CD1 4.3Å; L161-L185 HydrophobicContact CD2-CD1 4.39Å; L161-L185 HydrophobicContact CG-CD1 4.28Å; L161-L185 CarbonylContact O-C 3.55Å; L161-L185 WeakPolarHBondContact O-CA 3.32Å; A171-L185 HydrophobicContact CB-CD1 3.73Å; A175-L185 HydrophobicContact CB-CD1 4.34Å; A175-L185 HydrophobicContact CB-CD2 4.04Å; V182-L185 HydrophobicContact CG1-CB 4.24Å; L185-L187 HydrophobicContact CD1-CD2 3.92Å; L185-L187 HydrophobicContact CD2-CD2 4.21Å; L185-L187 HydrophobicContact CD2-CG 4.49Å; L185-L187 HydrophobicContact CG-CD2 3.88Å; L185-L187 HydrophobicContact CG-CG 4.21Å
186	I	95.9	Very high	85.7	Confident	73 Å²	73	65.5 Å²	65.5	37%	0.374	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.1	178.9	-56.6	172.6	0	0	0	108.3	I90 I160 L161 L162 G163	I90-I186 HydrophobicContact CD1-CD1 4.41Å; I160-I186 HydrophobicContact CG2-CD1 3.74Å; I160-I186 HydrophobicContact CG2-CG1 4.24Å; L161-I186 PolarHBondContact O-N 3.45Å; L162-I186 WeakPolarHBondContact CA-O 3.43Å; L162-I186 HydrophobicContact CB-CB 4.06Å; L162-I186 HydrophobicContact CD1-CB 4.26Å; L162-I186 HydrophobicContact CD1-CD1 4.31Å; L162-I186 HydrophobicContact CD1-CG2 3.92Å; L162-I186 HydrophobicContact CG-CB 3.86Å; L162-I186 HydrophobicContact CG-CG2 3.8Å; G163-I186 PolarHBondContact N-O 3.34Å
187	L	94.5	Very high	83.4	Confident	56 Å²	56	66.8 Å²	66.8	29%	0.293	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.5	-178	-56.6	-179.8	0	0	0	110.1	A171 C172 L185 P190 F193	A171-L187 HydrophobicContact CB-CD2 4.44Å; C172-L187 WeakPolarHBondContact SG-CD1 3.36Å; C172-L187 WeakPolarHBondContact SG-CD2 3.19Å; L185-L187 HydrophobicContact CD1-CD2 3.92Å; L185-L187 HydrophobicContact CD2-CD2 4.21Å; L185-L187 HydrophobicContact CD2-CG 4.49Å; L185-L187 HydrophobicContact CG-CD2 3.88Å; L185-L187 HydrophobicContact CG-CG 4.21Å; L187-P190 HydrophobicContact CB-CB 4.2Å; L187-P190 HydrophobicContact CB-CG 3.91Å; L187-P190 HydrophobicContact CD1-CG 4.3Å; L187-F193 HydrophobicContact CD1-CE1 4.49Å; L187-F193 HydrophobicContact CD1-CE2 4.12Å; L187-F193 HydrophobicContact CD1-CZ 3.91Å
188	A	91.3	Very high	81.2	Confident	34 Å²	34	67.9 Å²	67.9	28%	0.281	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.7	174.6	0	0	0	0	0	108.9	G163 H164 S165	G163-A188 PolarHBondContact O-N 2.91Å; H164-A188 WeakPolarHBondContact CA-O 3.37Å; H164-A188 HydrophobicContact CB-CB 4.13Å; H164-A188 PolarHBondContact CD2-O 2.87Å; S165-A188 PolarHBondContact N-O 2.72Å; S165-A188 VanDerWaalsContact N-O 3.08Å
189	D	90.2	Very high	79.1	Confident	47 Å²	47	70.9 Å²	70.9	25%	0.251	38%	0.379	S	S	.	.	S	Bend	trans	50.6	52.7	177.7	-157.6	56.8	0	0	0	114.4	S165 F269 K273	S165-D189 WeakPolarHBondContact CA-O 3.22Å; S165-D189 PolarHBondContact N-O 2.99Å; D189-F269 VanDerWaalsContact OD2-CD1 3.26Å; D189-F269 WeakPolarHBondContact OD2-CD1 3.25Å; D189-K273 WeakPolarHBondContact OD1-CE 3.31Å; D189-K273 IonicContact OD1-NZ 3.87Å; D189-K273 PolarHBondContact OD1-NZ 3.2Å; D189-K273 WeakPolarHBondContact OD2-CE 3.24Å; D189-K273 IonicContact OD2-NZ 2.61Å
190	P	86.8	Confident	77	Confident	25 Å²	25	71.8 Å²	71.8	16%	0.162	38%	0.381	C	S	.	.			trans	-69	143.5	-167.2	32.4	-39.7	0	0	0	112.7	L187 F193	L187-P190 HydrophobicContact CB-CB 4.2Å; L187-P190 HydrophobicContact CB-CG 3.91Å; L187-P190 HydrophobicContact CD1-CG 4.3Å; P190-F193 HydrophobicContact CB-CD2 3.44Å; P190-F193 VanDerWaalsContact CB-CD2 3.44Å; P190-F193 HydrophobicContact CB-CE2 3.59Å; P190-F193 HydrophobicContact CG-CB 4.37Å; P190-F193 HydrophobicContact CG-CD2 3.27Å; P190-F193 HydrophobicContact CG-CE2 3.75Å; P190-F193 HydrophobicContact CG-CG 3.97Å
191	W	84.3	Confident	74.6	Confident	83 Å²	83	75.9 Å²	75.9	31%	0.314	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	137	166.5	-167.9	-15.8	0	0	0	108.4	F96 S165 L166 F169 F276	F96-W191 HydrophobicContact CB-CZ3 4.21Å; F96-W191 HydrophobicContact CG-CZ3 4.43Å; S165-W191 PolarHBondContact O-N 3.35Å; L166-W191 HydrophobicContact CB-CE3 3.86Å; L166-W191 HydrophobicContact CB-CZ3 4.35Å; L166-W191 HydrophobicContact CD1-CE3 3.83Å; L166-W191 HydrophobicContact CD1-CZ3 4.09Å; L166-W191 HydrophobicContact CG-CE3 4.37Å; F169-W191 HydrophobicContact CB-CB 4.26Å; F169-W191 WeakPolarHBondContact CB-O 3.46Å; W191-F276 HydrophobicContact CH2-CB 4.46Å; W191-F276 HydrophobicContact CZ2-CB 3.95Å
192	G	70.3	Confident	72.2	Confident	33 Å²	33	77.7 Å²	77.7	34%	0.34	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	103	8.1	165.6	0	0	0	0	0	114.6
193	F	59.5	Low	69.9	Low	98 Å²	98	85.4 Å²	85.4	43%	0.43	44%	0.443	S	S	.	.			trans	-105	36.1	-178.9	-72.3	-86	0	0	0	113.9	C172 L187 P190 Y287	C172-F193 HydrophobicContact CB-CZ 4.14Å; C172-F193 WeakPolarHBondContact SG-CZ 3.35Å; L187-F193 HydrophobicContact CD1-CE1 4.49Å; L187-F193 HydrophobicContact CD1-CE2 4.12Å; L187-F193 HydrophobicContact CD1-CZ 3.91Å; P190-F193 HydrophobicContact CB-CD2 3.44Å; P190-F193 VanDerWaalsContact CB-CD2 3.44Å; P190-F193 HydrophobicContact CB-CE2 3.59Å; P190-F193 HydrophobicContact CG-CB 4.37Å; P190-F193 HydrophobicContact CG-CD2 3.27Å; P190-F193 HydrophobicContact CG-CE2 3.75Å; P190-F193 HydrophobicContact CG-CG 3.97Å; F193-Y287 AromaticContact CE1-CD1 3.85Å; F193-Y287 HydrophobicContact CE1-CD1 3.85Å; F193-Y287 HydrophobicContact CE1-CE1 4.39Å; F193-Y287 HydrophobicContact CE2-CD1 4.49Å; F193-Y287 HydrophobicContact CE2-CE1 4.26Å; F193-Y287 AromaticContact CZ-CD1 3.66Å; F193-Y287 HydrophobicContact CZ-CD1 3.66Å; F193-Y287 AromaticContact CZ-CE1 3.75Å; F193-Y287 HydrophobicContact CZ-CE1 3.75Å
194	V	55.8	Low	67.9	Low	89 Å²	89	84.5 Å²	84.5	54%	0.539	44%	0.439	S	S	.	.			trans	-104.6	113.7	172.8	-167.2	0	0	0	0	107.6	D196	V194-D196 PolarHBondContact O-N 3.15Å
195	E	51.9	Low	66.1	Low	124 Å²	124	86 Å²	86	58%	0.579	45%	0.451	S	S	*	.			trans	-51.8	127.5	161.4	-125.6	110.6	-138.5	0	0	107.4	P197 Y284	E195-P197 WeakPolarHBondContact O-CD 3.12Å; E195-Y284 HydrophobicContact CG-CE2 3.86Å; E195-Y284 WeakPolarHBondContact OE1-CE2 3.43Å; E195-Y284 PolarHBondContact OE1-OH 2.91Å
196	D	54	Low	64.3	Low	68 Å²	68	88.6 Å²	88.6	36%	0.364	47%	0.468	S	S	.	.			trans	-52.7	110.6	174.9	-177.6	-1.8	0	0	0	108.5	V194 L198 K199	V194-D196 PolarHBondContact O-N 3.15Å; D196-L198 PolarHBondContact O-N 3.39Å; D196-L198 WeakPolarHBondContact OD1-CB 3.27Å; D196-L198 WeakPolarHBondContact OD1-CG 3.48Å; D196-L198 PolarHBondContact OD1-N 2.75Å; D196-K199 HydrophobicContact CB-CB 4.25Å; D196-K199 HydrophobicContact CB-CD 4.14Å; D196-K199 HydrophobicContact CB-CG 3.95Å; D196-K199 WeakPolarHBondContact O-CB 3.37Å; D196-K199 PolarHBondContact O-N 3.31Å
197	P	46.3	Very low	62.6	Low	82 Å²	82	86 Å²	86	53%	0.532	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.5	-178.3	23.4	-30.8	0	0	0	111.2	E195 K199 V200	E195-P197 WeakPolarHBondContact O-CD 3.12Å; P197-K199 VanDerWaalsContact C-N 3.31Å; P197-V200 PolarHBondContact O-N 3.19Å
198	L	49.5	Very low	61.2	Low	94 Å²	94	86.5 Å²	86.5	49%	0.492	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.7	174.9	-49.8	179.5	0	0	0	113.5	D196 A211	D196-L198 PolarHBondContact O-N 3.39Å; D196-L198 WeakPolarHBondContact OD1-CB 3.27Å; D196-L198 WeakPolarHBondContact OD1-CG 3.48Å; D196-L198 PolarHBondContact OD1-N 2.75Å; L198-A211 HydrophobicContact CD1-CB 3.97Å; L198-A211 HydrophobicContact CD2-CB 3.61Å; L198-A211 HydrophobicContact CG-CB 4.46Å
199	K	52.6	Low	60.1	Low	102 Å²	102	87.1 Å²	87.1	44%	0.443	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-17.7	172.9	-75.9	-173.6	-177.4	178.6	0	113	D196 P197 K201	D196-K199 HydrophobicContact CB-CB 4.25Å; D196-K199 HydrophobicContact CB-CD 4.14Å; D196-K199 HydrophobicContact CB-CG 3.95Å; D196-K199 WeakPolarHBondContact O-CB 3.37Å; D196-K199 PolarHBondContact O-N 3.31Å; P197-K199 VanDerWaalsContact C-N 3.31Å; K199-K201 VanDerWaalsContact C-N 3.33Å; K199-K201 PolarHBondContact O-N 3.32Å
200	V	51.8	Low	58.9	Low	100 Å²	100	89.3 Å²	89.3	61%	0.606	49%	0.486	S	S	*	.	S	Bend	trans	-69.4	103.8	155.2	-174.1	0	0	0	0	104.1	P197 D202	P197-V200 PolarHBondContact O-N 3.19Å; V200-D202 PolarHBondContact O-N 2.9Å
201	K	45.4	Very low	58	Low	188 Å²	188	89.5 Å²	89.5	82%	0.817	49%	0.49	S	S	*	.			trans	-62.5	71.3	166	-90.4	-177.2	171.6	180	0	107.7	K199 Q203	K199-K201 VanDerWaalsContact C-N 3.33Å; K199-K201 PolarHBondContact O-N 3.32Å; K201-Q203 PolarHBondContact O-N 3.39Å
202	D	46.6	Very low	57.5	Low	106 Å²	106	94 Å²	94	57%	0.567	51%	0.506	S	S	*	.			trans	-79.6	103.3	157.5	-165	17.4	0	0	0	104.7	V200 S204	V200-D202 PolarHBondContact O-N 2.9Å; D202-S204 PolarHBondContact O-N 3Å; D202-S204 WeakPolarHBondContact OD2-CB 3.14Å; D202-S204 PolarHBondContact OD2-OG 3.36Å
203	Q	49.8	Very low	57.6	Low	184 Å²	184	96.8 Å²	96.8	86%	0.86	51%	0.513	S	S	*	.			trans	-68.8	22.6	176.5	-70.9	179.7	-35.4	0	0	111.8	K201	K201-Q203 PolarHBondContact O-N 3.39Å
204	S	54.9	Low	58.2	Low	34 Å²	34	97.7 Å²	97.7	24%	0.238	52%	0.517	C	S	.	.	S	Bend	trans	-86.8	142.3	-179.4	74.1	0	0	0	0	110.5	D202 V206 G207	D202-S204 PolarHBondContact O-N 3Å; D202-S204 WeakPolarHBondContact OD2-CB 3.14Å; D202-S204 PolarHBondContact OD2-OG 3.36Å; S204-V206 PolarHBondContact O-N 3.1Å; S204-G207 PolarHBondContact O-N 2.86Å
205	N	58.9	Low	58.8	Low	151 Å²	151	95.8 Å²	95.8	81%	0.807	51%	0.507	S	S	*	.	H	α-helix	trans	-56.5	-20.9	173.7	-71.2	-28.2	0	0	0	112.6	A209	N205-A209 WeakPolarHBondContact O-CB 3.39Å; N205-A209 PolarHBondContact O-N 3.29Å; N205-A209 VanDerWaalsContact O-N 3.12Å
206	V	60.1	Low	59.8	Low	89 Å²	89	92 Å²	92	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-65.4	-41.9	176.8	-172.6	0	0	0	0	110.9	S204 A209 Q210	S204-V206 PolarHBondContact O-N 3.1Å; V206-A209 PolarHBondContact O-N 3.45Å; V206-Q210 HydrophobicContact CG1-CG 4.39Å; V206-Q210 WeakPolarHBondContact O-CB 3.29Å; V206-Q210 VanDerWaalsContact O-CG 3.27Å; V206-Q210 WeakPolarHBondContact O-CG 3.47Å; V206-Q210 PolarHBondContact O-N 3.32Å
207	G	60.8	Low	60.4	Low	18 Å²	18	92 Å²	92	19%	0.186	50%	0.495	C	S	.	.	H	α-helix	trans	-64.6	-40.9	179.2	0	0	0	0	0	113	S204 Q210 A211	S204-G207 PolarHBondContact O-N 2.86Å; G207-Q210 PolarHBondContact O-N 3.24Å; G207-A211 WeakPolarHBondContact O-CB 3.48Å; G207-A211 PolarHBondContact O-N 3.07Å
208	A	63.9	Low	61.3	Low	67 Å²	67	92.3 Å²	92.3	55%	0.554	49%	0.486	S	S	*	.	H	α-helix	trans	-67.6	-43.1	176.9	0	0	0	0	0	112.2	A211 W212	A208-A211 PolarHBondContact O-N 3.34Å; A208-W212 WeakPolarHBondContact O-CB 3.49Å; A208-W212 PolarHBondContact O-N 3.5Å
209	A	68.6	Low	62.2	Low	48 Å²	48	93.5 Å²	93.5	40%	0.397	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-44	175.4	0	0	0	0	0	111.4	N205 V206 W212 I213	N205-A209 WeakPolarHBondContact O-CB 3.39Å; N205-A209 PolarHBondContact O-N 3.29Å; N205-A209 VanDerWaalsContact O-N 3.12Å; V206-A209 PolarHBondContact O-N 3.45Å; A209-W212 PolarHBondContact O-N 3.09Å; A209-I213 WeakPolarHBondContact O-CB 3.41Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 3.4Å
210	Q	65.8	Low	62.6	Low	93 Å²	93	94.7 Å²	94.7	44%	0.435	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-47.5	174.6	-76.9	178	-16.3	0	0	111.5	V206 G207 W212 I213 F214	V206-Q210 HydrophobicContact CG1-CG 4.39Å; V206-Q210 WeakPolarHBondContact O-CB 3.29Å; V206-Q210 VanDerWaalsContact O-CG 3.27Å; V206-Q210 WeakPolarHBondContact O-CG 3.47Å; V206-Q210 PolarHBondContact O-N 3.32Å; G207-Q210 PolarHBondContact O-N 3.24Å; Q210-W212 VanDerWaalsContact C-N 3.3Å; Q210-W212 PolarHBondContact O-N 3Å; Q210-I213 PolarHBondContact O-N 2.99Å; Q210-F214 HydrophobicContact CB-CD2 4.36Å; Q210-F214 HydrophobicContact CB-CE2 4.47Å; Q210-F214 WeakPolarHBondContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CD2 3.45Å; Q210-F214 PolarHBondContact O-N 3.27Å
211	A	66.8	Low	63.1	Low	29 Å²	29	95.7 Å²	95.7	24%	0.24	50%	0.495	C	S	.	.	H	α-helix	trans	-56.7	-44.3	176.9	0	0	0	0	0	112	L198 G207 A208 S215	L198-A211 HydrophobicContact CD1-CB 3.97Å; L198-A211 HydrophobicContact CD2-CB 3.61Å; L198-A211 HydrophobicContact CG-CB 4.46Å; G207-A211 WeakPolarHBondContact O-CB 3.48Å; G207-A211 PolarHBondContact O-N 3.07Å; A208-A211 PolarHBondContact O-N 3.34Å; A211-S215 WeakPolarHBondContact O-CB 3.33Å; A211-S215 PolarHBondContact O-N 2.85Å
212	W	73.2	Confident	63.7	Low	177 Å²	177	95.8 Å²	95.8	67%	0.67	49%	0.491	S	S	*	.	H	α-helix	trans	-67.9	-41.9	178.5	-174.8	86	0	0	0	112.5	A208 A209 Q210 S215 T216	A208-W212 WeakPolarHBondContact O-CB 3.49Å; A208-W212 PolarHBondContact O-N 3.5Å; A209-W212 PolarHBondContact O-N 3.09Å; Q210-W212 VanDerWaalsContact C-N 3.3Å; Q210-W212 PolarHBondContact O-N 3Å; W212-S215 PolarHBondContact O-N 2.86Å; W212-T216 VanDerWaalsContact O-CB 3.28Å; W212-T216 WeakPolarHBondContact O-CB 3.36Å; W212-T216 PolarHBondContact O-N 2.95Å; W212-T216 PolarHBondContact O-OG1 2.64Å
213	I	74.3	Confident	64.1	Low	92 Å²	92	96.2 Å²	96.2	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-50.5	174.8	-70.1	165	0	0	0	110	A209 Q210 S215 T216 V217	A209-I213 WeakPolarHBondContact O-CB 3.41Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 3.4Å; Q210-I213 PolarHBondContact O-N 2.99Å; I213-S215 VanDerWaalsContact C-N 3.32Å; I213-S215 PolarHBondContact O-N 2.98Å; I213-T216 PolarHBondContact O-N 2.62Å; I213-V217 HydrophobicContact CG2-CG2 4.2Å; I213-V217 WeakPolarHBondContact O-CB 3.46Å; I213-V217 VanDerWaalsContact O-CG2 3.26Å; I213-V217 WeakPolarHBondContact O-CG2 3.25Å; I213-V217 PolarHBondContact O-N 3.48Å
214	F	70.3	Confident	64.4	Low	116 Å²	116	92.6 Å²	92.6	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-61.3	-40.8	178.4	-83.7	-65.9	0	0	0	111.9	Q210 R218	Q210-F214 HydrophobicContact CB-CD2 4.36Å; Q210-F214 HydrophobicContact CB-CE2 4.47Å; Q210-F214 WeakPolarHBondContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CD2 3.45Å; Q210-F214 PolarHBondContact O-N 3.27Å; F214-R218 WeakPolarHBondContact O-CB 3.06Å; F214-R218 PolarHBondContact O-N 2.88Å
215	S	69.6	Low	64.7	Low	50 Å²	50	94.2 Å²	94.2	35%	0.35	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-47.6	174.4	-177.1	0	0	0	0	111.2	A211 W212 I213 R218 H219	A211-S215 WeakPolarHBondContact O-CB 3.33Å; A211-S215 PolarHBondContact O-N 2.85Å; W212-S215 PolarHBondContact O-N 2.86Å; I213-S215 VanDerWaalsContact C-N 3.32Å; I213-S215 PolarHBondContact O-N 2.98Å; S215-R218 WeakPolarHBondContact O-CB 3.31Å; S215-R218 PolarHBondContact O-N 3.45Å; S215-H219 WeakPolarHBondContact O-CB 3.4Å; S215-H219 PolarHBondContact O-CD2 3.41Å; S215-H219 PolarHBondContact O-N 3.25Å; S215-H219 PolarHBondContact OG-CD2 2.85Å
216	T	71.9	Confident	64.8	Low	45 Å²	45	89.8 Å²	89.8	28%	0.276	47%	0.469	S	S	.	.	H	α-helix	trans	-63.2	-48.4	179.5	-59.4	0	0	0	0	111.4	W212 I213 R218 H219 L220	W212-T216 VanDerWaalsContact O-CB 3.28Å; W212-T216 WeakPolarHBondContact O-CB 3.36Å; W212-T216 PolarHBondContact O-N 2.95Å; W212-T216 PolarHBondContact O-OG1 2.64Å; I213-T216 PolarHBondContact O-N 2.62Å; T216-R218 PolarHBondContact O-N 3.49Å; T216-H219 PolarHBondContact O-N 3.19Å; T216-L220 HydrophobicContact CG2-CD1 3.61Å; T216-L220 WeakPolarHBondContact O-CD1 3.47Å; T216-L220 PolarHBondContact O-N 3.43Å
217	V	67.5	Low	65	Low	68 Å²	68	88.1 Å²	88.1	41%	0.412	46%	0.457	S	S	.	.	H	α-helix	trans	-58.7	-49	174.2	170.7	0	0	0	0	109.8	I213 H219 L220 F221	I213-V217 HydrophobicContact CG2-CG2 4.2Å; I213-V217 WeakPolarHBondContact O-CB 3.46Å; I213-V217 VanDerWaalsContact O-CG2 3.26Å; I213-V217 WeakPolarHBondContact O-CG2 3.25Å; I213-V217 PolarHBondContact O-N 3.48Å; V217-H219 VanDerWaalsContact C-N 3.28Å; V217-H219 PolarHBondContact O-N 2.87Å; V217-L220 PolarHBondContact O-N 3.36Å; V217-F221 HydrophobicContact CB-CD2 4.47Å; V217-F221 HydrophobicContact CG1-CD2 3.6Å; V217-F221 HydrophobicContact CG1-CE2 3.97Å; V217-F221 WeakPolarHBondContact O-CB 3.19Å; V217-F221 VanDerWaalsContact O-CD2 3.25Å; V217-F221 WeakPolarHBondContact O-CD2 3.45Å; V217-F221 PolarHBondContact O-N 2.92Å
218	R	66	Low	65	Low	88 Å²	88	90 Å²	90	33%	0.332	47%	0.467	S	S	.	.	H	α-helix	trans	-55.3	-43.3	175.3	174.9	-173.5	172.5	77.6	0.8	111.7	F214 S215 T216 R222 C277 L278	F214-R218 WeakPolarHBondContact O-CB 3.06Å; F214-R218 PolarHBondContact O-N 2.88Å; S215-R218 WeakPolarHBondContact O-CB 3.31Å; S215-R218 PolarHBondContact O-N 3.45Å; T216-R218 PolarHBondContact O-N 3.49Å; R218-R222 WeakPolarHBondContact O-CA 3.46Å; R218-R222 VanDerWaalsContact O-CB 3.24Å; R218-R222 WeakPolarHBondContact O-CB 3.26Å; R218-R222 PolarHBondContact O-N 2.91Å; R218-C277 PolarHBondContact NH1-O 2.82Å; R218-L278 VanDerWaalsContact CZ-CD2 3.48Å; R218-L278 VanDerWaalsContact NH2-CD2 3.29Å
219	H	66.9	Low	65.1	Low	119 Å²	119	92.2 Å²	92.2	55%	0.551	46%	0.464	S	S	*	.	H	α-helix	trans	-68.1	-44.6	179	-83.4	-68.9	0	0	0	112.5	S215 T216 V217 R222	S215-H219 WeakPolarHBondContact O-CB 3.4Å; S215-H219 PolarHBondContact O-CD2 3.41Å; S215-H219 PolarHBondContact O-N 3.25Å; S215-H219 PolarHBondContact OG-CD2 2.85Å; T216-H219 PolarHBondContact O-N 3.19Å; V217-H219 VanDerWaalsContact C-N 3.28Å; V217-H219 PolarHBondContact O-N 2.87Å; H219-R222 WeakPolarHBondContact O-CB 3.36Å; H219-R222 PolarHBondContact O-N 3.09Å
220	L	62.5	Low	64.8	Low	126 Å²	126	92 Å²	92	66%	0.66	46%	0.457	S	S	*	.	H	α-helix	trans	-63.8	-44	175.4	-94.6	114.8	0	0	0	112.1	T216 V217	T216-L220 HydrophobicContact CG2-CD1 3.61Å; T216-L220 WeakPolarHBondContact O-CD1 3.47Å; T216-L220 PolarHBondContact O-N 3.43Å; V217-L220 PolarHBondContact O-N 3.36Å
221	F	61.6	Low	64.7	Low	121 Å²	121	93 Å²	93	53%	0.531	46%	0.457	S	S	.	.	H	α-helix	trans	-85.2	-5.5	-178	-74.3	-88.9	0	0	0	113.7	V217 S223 F224	V217-F221 HydrophobicContact CB-CD2 4.47Å; V217-F221 HydrophobicContact CG1-CD2 3.6Å; V217-F221 HydrophobicContact CG1-CE2 3.97Å; V217-F221 WeakPolarHBondContact O-CB 3.19Å; V217-F221 VanDerWaalsContact O-CD2 3.25Å; V217-F221 WeakPolarHBondContact O-CD2 3.45Å; V217-F221 PolarHBondContact O-N 2.92Å; F221-S223 PolarHBondContact O-N 3.32Å; F221-F224 HydrophobicContact CB-CB 4.45Å; F221-F224 HydrophobicContact CD1-CB 3.87Å; F221-F224 HydrophobicContact CD1-CD1 4.24Å; F221-F224 HydrophobicContact CD1-CG 4.32Å; F221-F224 HydrophobicContact CE1-CD1 4.32Å; F221-F224 HydrophobicContact CG-CB 4.47Å; F221-F224 CarbonylContact O-C 3.56Å; F221-F224 PolarHBondContact O-N 2.83Å; F221-F224 VanDerWaalsContact O-O 3.12Å
222	R	56.7	Low	64.6	Low	190 Å²	190	95.6 Å²	95.6	72%	0.717	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-36.2	176.3	-170.7	173.7	159.5	152.3	-2.9	111.9	R218 H219	R218-R222 WeakPolarHBondContact O-CA 3.46Å; R218-R222 VanDerWaalsContact O-CB 3.24Å; R218-R222 WeakPolarHBondContact O-CB 3.26Å; R218-R222 PolarHBondContact O-N 2.91Å; H219-R222 WeakPolarHBondContact O-CB 3.36Å; H219-R222 PolarHBondContact O-N 3.09Å
223	S	57	Low	64.2	Low	115 Å²	115	88.3 Å²	88.3	80%	0.804	46%	0.455	S	S	*	.	S	Bend	trans	-87.8	-22.2	174.6	-55.3	0	0	0	0	112.4	F221 N225	F221-S223 PolarHBondContact O-N 3.32Å; S223-N225 PolarHBondContact O-N 3.38Å
224	F	55.1	Low	63.7	Low	109 Å²	109	84.3 Å²	84.3	48%	0.478	44%	0.436	S	S	.	.			trans	-90.1	80.1	-177.3	-144.9	-88.4	0	0	0	110	F221 P226 F229	F221-F224 HydrophobicContact CB-CB 4.45Å; F221-F224 HydrophobicContact CD1-CB 3.87Å; F221-F224 HydrophobicContact CD1-CD1 4.24Å; F221-F224 HydrophobicContact CD1-CG 4.32Å; F221-F224 HydrophobicContact CE1-CD1 4.32Å; F221-F224 HydrophobicContact CG-CB 4.47Å; F221-F224 CarbonylContact O-C 3.56Å; F221-F224 PolarHBondContact O-N 2.83Å; F221-F224 VanDerWaalsContact O-O 3.12Å; F224-P226 WeakPolarHBondContact O-CD 3.28Å; F224-F229 HydrophobicContact CE1-CB 4.19Å; F224-F229 HydrophobicContact CZ-CB 4.46Å; F224-F229 HydrophobicContact CZ-CD2 4.42Å
225	N	60.6	Low	63.5	Low	68 Å²	68	82.6 Å²	82.6	36%	0.364	44%	0.437	S	S	.	.			trans	-71.4	109	167.8	-177.3	-21.9	0	0	0	107.5	S223 L227 S228 F229	S223-N225 PolarHBondContact O-N 3.38Å; N225-L227 PolarHBondContact O-N 2.75Å; N225-L227 VanDerWaalsContact O-N 3.13Å; N225-L227 VanDerWaalsContact OD1-CB 3.23Å; N225-L227 WeakPolarHBondContact OD1-CB 3.04Å; N225-L227 PolarHBondContact OD1-N 2.81Å; N225-S228 WeakPolarHBondContact CB-OG 3.19Å; N225-S228 VanDerWaalsContact O-CA 3.31Å; N225-S228 WeakPolarHBondContact O-CA 3.37Å; N225-S228 WeakPolarHBondContact O-CB 3.26Å; N225-S228 PolarHBondContact O-N 3.47Å; N225-S228 PolarHBondContact OD1-N 3.44Å; N225-F229 PolarHBondContact O-N 3.15Å
226	P	60.9	Low	63.4	Low	58 Å²	58	87.4 Å²	87.4	38%	0.377	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-27.6	-177.3	23.7	-32.9	0	0	0	111.6	F224 S228 F229 L230 F276	F224-P226 WeakPolarHBondContact O-CD 3.28Å; P226-S228 VanDerWaalsContact C-N 3.3Å; P226-S228 PolarHBondContact O-N 3.35Å; P226-F229 PolarHBondContact O-N 2.69Å; P226-L230 WeakPolarHBondContact O-CG 3.34Å; P226-L230 PolarHBondContact O-N 3.21Å; P226-F276 HydrophobicContact CG-CZ 4.12Å
227	L	64.6	Low	63.3	Low	53 Å²	53	85.4 Å²	85.4	28%	0.277	44%	0.44	S	S	.	.	H	α-helix	trans	-67.8	-30	170.8	-60.1	177.4	0	0	0	112.3	F96 N225 L230 R231	F96-L227 HydrophobicContact CE1-CD1 3.48Å; F96-L227 VanDerWaalsContact CE1-CD1 3.48Å; F96-L227 HydrophobicContact CZ-CD1 3.79Å; N225-L227 PolarHBondContact O-N 2.75Å; N225-L227 VanDerWaalsContact O-N 3.13Å; N225-L227 VanDerWaalsContact OD1-CB 3.23Å; N225-L227 WeakPolarHBondContact OD1-CB 3.04Å; N225-L227 PolarHBondContact OD1-N 2.81Å; L227-L230 HydrophobicContact CD2-CD1 4.17Å; L227-L230 PolarHBondContact O-N 2.84Å; L227-R231 VanDerWaalsContact O-CB 3.25Å; L227-R231 WeakPolarHBondContact O-CB 3.3Å; L227-R231 WeakPolarHBondContact O-CD 3.27Å; L227-R231 WeakPolarHBondContact O-CG 3.3Å; L227-R231 PolarHBondContact O-N 2.8Å
228	S	62.2	Low	63.3	Low	59 Å²	59	85.6 Å²	85.6	41%	0.413	44%	0.443	S	S	.	.	H	α-helix	trans	-66.7	-39	172	-64.9	0	0	0	0	111.5	N225 P226 R231 A232	N225-S228 WeakPolarHBondContact CB-OG 3.19Å; N225-S228 VanDerWaalsContact O-CA 3.31Å; N225-S228 WeakPolarHBondContact O-CA 3.37Å; N225-S228 WeakPolarHBondContact O-CB 3.26Å; N225-S228 PolarHBondContact O-N 3.47Å; N225-S228 PolarHBondContact OD1-N 3.44Å; P226-S228 VanDerWaalsContact C-N 3.3Å; P226-S228 PolarHBondContact O-N 3.35Å; S228-R231 PolarHBondContact O-N 2.76Å; S228-A232 VanDerWaalsContact O-CB 3.25Å; S228-A232 WeakPolarHBondContact O-CB 3.38Å; S228-A232 PolarHBondContact O-N 2.8Å
229	F	64.3	Low	63.4	Low	112 Å²	112	85.2 Å²	85.2	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-64.3	-47.5	172.1	-179.9	-99.9	0	0	0	111.6	F224 N225 P226 R231 A232 A233 L240	F224-F229 HydrophobicContact CE1-CB 4.19Å; F224-F229 HydrophobicContact CZ-CB 4.46Å; F224-F229 HydrophobicContact CZ-CD2 4.42Å; N225-F229 PolarHBondContact O-N 3.15Å; P226-F229 PolarHBondContact O-N 2.69Å; F229-R231 VanDerWaalsContact C-N 3.26Å; F229-R231 PolarHBondContact O-N 3.5Å; F229-A232 PolarHBondContact O-N 2.82Å; F229-A233 PolarHBondContact O-N 3.41Å; F229-L240 HydrophobicContact CD1-CD2 4.31Å; F229-L240 HydrophobicContact CE1-CD2 3.81Å
230	L	63.5	Low	63.4	Low	45 Å²	45	81.4 Å²	81.4	24%	0.236	44%	0.437	C	S	.	.	H	α-helix	trans	-59.9	-35.8	175.9	-72.7	170.5	0	0	0	112.5	P226 L227 L240 I241	P226-L230 WeakPolarHBondContact O-CG 3.34Å; P226-L230 PolarHBondContact O-N 3.21Å; L227-L230 HydrophobicContact CD2-CD1 4.17Å; L227-L230 PolarHBondContact O-N 2.84Å; L230-L240 HydrophobicContact CD2-CB 4.38Å; L230-L240 HydrophobicContact CD2-CD2 3.64Å; L230-L240 HydrophobicContact CD2-CG 3.97Å; L230-I241 HydrophobicContact CD2-CG1 4.31Å
231	R	62.9	Low	63.7	Low	114 Å²	114	79.1 Å²	79.1	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-70.3	-39.7	172.6	-75.6	169.9	-174.5	142.4	-0.3	111.9	W25 L227 S228 F229 A233 G234	W25-R231 HydrophobicContact CD2-CB 4.48Å; W25-R231 HydrophobicContact CD2-CG 4.22Å; W25-R231 HydrophobicContact CE3-CG 4.45Å; W25-R231 HydrophobicContact CH2-CG 4.1Å; W25-R231 HydrophobicContact CZ2-CG 3.83Å; W25-R231 HydrophobicContact CZ3-CG 4.38Å; L227-R231 VanDerWaalsContact O-CB 3.25Å; L227-R231 WeakPolarHBondContact O-CB 3.3Å; L227-R231 WeakPolarHBondContact O-CD 3.27Å; L227-R231 WeakPolarHBondContact O-CG 3.3Å; L227-R231 PolarHBondContact O-N 2.8Å; S228-R231 PolarHBondContact O-N 2.76Å; F229-R231 VanDerWaalsContact C-N 3.26Å; F229-R231 PolarHBondContact O-N 3.5Å; R231-A233 VanDerWaalsContact C-N 3.3Å; R231-A233 PolarHBondContact O-N 2.88Å; R231-G234 PolarHBondContact O-N 3.37Å
232	A	64.5	Low	64	Low	82 Å²	82	77.9 Å²	77.9	68%	0.678	42%	0.421	S	S	*	.	H	α-helix	trans	-67.7	-29.2	178.6	0	0	0	0	0	112.6	S228 F229 G234	S228-A232 VanDerWaalsContact O-CB 3.25Å; S228-A232 WeakPolarHBondContact O-CB 3.38Å; S228-A232 PolarHBondContact O-N 2.8Å; F229-A232 PolarHBondContact O-N 2.82Å; A232-G234 PolarHBondContact O-N 2.81Å
233	A	66.1	Low	64.6	Low	24 Å²	24	76.6 Å²	76.6	20%	0.198	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.3	174	0	0	0	0	0	113.7	F229 R231 F236 L240	F229-A233 PolarHBondContact O-N 3.41Å; R231-A233 VanDerWaalsContact C-N 3.3Å; R231-A233 PolarHBondContact O-N 2.88Å; A233-F236 WeakPolarHBondContact O-CB 3.18Å; A233-F236 WeakPolarHBondContact O-CD2 3.43Å; A233-F236 PolarHBondContact O-N 2.81Å; A233-F236 VanDerWaalsContact O-N 3.14Å; A233-L240 HydrophobicContact CB-CD2 4.06Å
234	G	63.4	Low	65	Low	8 Å²	8	77 Å²	77	8%	0.082	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	61.1	-131.6	169	0	0	0	0	0	113.1	R231 A232 F236 G237	R231-G234 PolarHBondContact O-N 3.37Å; A232-G234 PolarHBondContact O-N 2.81Å; G234-F236 PolarHBondContact O-N 2.89Å; G234-G237 PolarHBondContact O-N 3.42Å
235	P	66.3	Low	65.6	Low	81 Å²	81	75.1 Å²	75.1	53%	0.526	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-65.5	-15.6	-179.4	28.6	-34.9	0	0	0	113.4	G237 P238	P235-G237 VanDerWaalsContact C-N 3.28Å; P235-P238 WeakPolarHBondContact O-CD 3.3Å
236	F	67.8	Low	65.7	Low	151 Å²	151	78.3 Å²	78.3	66%	0.662	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-79.7	-11	173	-55.2	-74.2	0	0	0	112.8	A233 G234 S239 L240	A233-F236 WeakPolarHBondContact O-CB 3.18Å; A233-F236 WeakPolarHBondContact O-CD2 3.43Å; A233-F236 PolarHBondContact O-N 2.81Å; A233-F236 VanDerWaalsContact O-N 3.14Å; G234-F236 PolarHBondContact O-N 2.89Å; F236-S239 PolarHBondContact O-N 2.82Å; F236-S239 VanDerWaalsContact O-N 3.1Å; F236-L240 WeakPolarHBondContact O-CB 3.37Å; F236-L240 PolarHBondContact O-N 3.13Å
237	G	68.6	Low	65.9	Low	3 Å²	3	77 Å²	77	3%	0.031	40%	0.396	C	S	.	.	H	α-helix	trans	-51	-51.3	-179.6	0	0	0	0	0	113.6	G234 P235 S239 L240 I241	G234-G237 PolarHBondContact O-N 3.42Å; P235-G237 VanDerWaalsContact C-N 3.28Å; G237-S239 PolarHBondContact O-N 3.26Å; G237-L240 PolarHBondContact O-N 3.49Å; G237-I241 WeakPolarHBondContact O-CG1 3.22Å; G237-I241 PolarHBondContact O-N 2.86Å
238	P	68.1	Low	65.9	Low	72 Å²	72	77 Å²	77	47%	0.468	40%	0.397	S	S	.	.	H	α-helix	trans	-54.8	-53	172.9	-27	35.6	0	0	0	112.1	P235 L240 I241 H242	P235-P238 WeakPolarHBondContact O-CD 3.3Å; P238-L240 PolarHBondContact O-N 3.25Å; P238-I241 PolarHBondContact O-N 2.93Å; P238-I241 VanDerWaalsContact O-N 3.13Å; P238-H242 VanDerWaalsContact C-ND1 3.34Å; P238-H242 PolarHBondContact O-N 2.7Å; P238-H242 PolarHBondContact O-ND1 3.32Å
239	S	67.4	Low	65.7	Low	80 Å²	80	81.9 Å²	81.9	56%	0.559	41%	0.406	S	S	*	.	H	α-helix	trans	-58.8	-36	179.9	-59.4	0	0	0	0	112.7	F236 G237 H242 Y243	F236-S239 PolarHBondContact O-N 2.82Å; F236-S239 VanDerWaalsContact O-N 3.1Å; G237-S239 PolarHBondContact O-N 3.26Å; S239-H242 PolarHBondContact O-N 3.09Å; S239-Y243 WeakPolarHBondContact O-CB 3.39Å; S239-Y243 PolarHBondContact O-N 3.21Å
240	L	67.1	Low	65.4	Low	39 Å²	39	76.9 Å²	76.9	20%	0.204	39%	0.386	C	S	.	.	H	α-helix	trans	-69.4	-42.4	176.5	-166	62	0	0	0	111.8	F229 L230 A233 F236 G237 P238 H242 Y243 F244	F229-L240 HydrophobicContact CD1-CD2 4.31Å; F229-L240 HydrophobicContact CE1-CD2 3.81Å; L230-L240 HydrophobicContact CD2-CB 4.38Å; L230-L240 HydrophobicContact CD2-CD2 3.64Å; L230-L240 HydrophobicContact CD2-CG 3.97Å; A233-L240 HydrophobicContact CB-CD2 4.06Å; F236-L240 WeakPolarHBondContact O-CB 3.37Å; F236-L240 PolarHBondContact O-N 3.13Å; G237-L240 PolarHBondContact O-N 3.49Å; P238-L240 PolarHBondContact O-N 3.25Å; L240-H242 VanDerWaalsContact C-N 3.32Å; L240-H242 PolarHBondContact O-N 2.85Å; L240-Y243 PolarHBondContact O-N 2.68Å; L240-F244 HydrophobicContact CD1-CD2 3.97Å; L240-F244 HydrophobicContact CD1-CE2 3.43Å; L240-F244 VanDerWaalsContact CD1-CE2 3.43Å; L240-F244 HydrophobicContact CD1-CZ 4.37Å; L240-F244 HydrophobicContact CD2-CE2 4.43Å; L240-F244 HydrophobicContact CG-CD2 3.9Å; L240-F244 HydrophobicContact CG-CE2 3.69Å; L240-F244 WeakPolarHBondContact O-CD2 3.14Å; L240-F244 PolarHBondContact O-N 3.04Å
241	I	68.6	Low	65.2	Low	77 Å²	77	78 Å²	78	40%	0.395	39%	0.389	S	S	.	.	H	α-helix	trans	-60.2	-44.2	170.4	-67.9	170.1	0	0	0	109.7	L230 G237 P238 Y243 F244 R245 L248	L230-I241 HydrophobicContact CD2-CG1 4.31Å; G237-I241 WeakPolarHBondContact O-CG1 3.22Å; G237-I241 PolarHBondContact O-N 2.86Å; P238-I241 PolarHBondContact O-N 2.93Å; P238-I241 VanDerWaalsContact O-N 3.13Å; I241-Y243 VanDerWaalsContact C-N 3.3Å; I241-Y243 PolarHBondContact O-N 3.32Å; I241-F244 PolarHBondContact O-N 3.37Å; I241-R245 HydrophobicContact CG2-CB 4.33Å; I241-R245 VanDerWaalsContact O-CA 3.31Å; I241-R245 WeakPolarHBondContact O-CA 3.47Å; I241-R245 VanDerWaalsContact O-CB 3.22Å; I241-R245 WeakPolarHBondContact O-CB 3.35Å; I241-R245 PolarHBondContact O-N 3.41Å; I241-L248 HydrophobicContact CG2-CD1 4.37Å
242	H	68	Low	65.2	Low	96 Å²	96	74.2 Å²	74.2	44%	0.444	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-38	177.5	-73.8	84.6	0	0	0	112.1	P238 S239 L240 R245 Q246	P238-H242 VanDerWaalsContact C-ND1 3.34Å; P238-H242 PolarHBondContact O-N 2.7Å; P238-H242 PolarHBondContact O-ND1 3.32Å; S239-H242 PolarHBondContact O-N 3.09Å; L240-H242 VanDerWaalsContact C-N 3.32Å; L240-H242 PolarHBondContact O-N 2.85Å; H242-R245 CarbonylContact O-C 3.38Å; H242-Q246 WeakPolarHBondContact O-CA 3.32Å; H242-Q246 WeakPolarHBondContact O-CG 3.38Å; H242-Q246 PolarHBondContact O-N 3.1Å; H242-Q246 VanDerWaalsContact O-N 3.15Å
243	Y	69.9	Low	65	Low	163 Å²	163	74.5 Å²	74.5	64%	0.639	37%	0.366	S	S	*	.	H	α-helix	trans	-65	-47.7	176.5	178.7	-97.7	0	0	0	111.8	S239 L240 I241	S239-Y243 WeakPolarHBondContact O-CB 3.39Å; S239-Y243 PolarHBondContact O-N 3.21Å; L240-Y243 PolarHBondContact O-N 2.68Å; I241-Y243 VanDerWaalsContact C-N 3.3Å; I241-Y243 PolarHBondContact O-N 3.32Å
244	F	64.9	Low	64.5	Low	123 Å²	123	80.6 Å²	80.6	54%	0.539	39%	0.39	S	S	.	.	H	α-helix	trans	-77.9	-31.2	-179.2	-73.3	-64.3	0	0	0	113.8	L240 I241	L240-F244 HydrophobicContact CD1-CD2 3.97Å; L240-F244 HydrophobicContact CD1-CE2 3.43Å; L240-F244 VanDerWaalsContact CD1-CE2 3.43Å; L240-F244 HydrophobicContact CD1-CZ 4.37Å; L240-F244 HydrophobicContact CD2-CE2 4.43Å; L240-F244 HydrophobicContact CG-CD2 3.9Å; L240-F244 HydrophobicContact CG-CE2 3.69Å; L240-F244 WeakPolarHBondContact O-CD2 3.14Å; L240-F244 PolarHBondContact O-N 3.04Å; I241-F244 PolarHBondContact O-N 3.37Å
245	R	67.2	Low	63.9	Low	70 Å²	70	85.1 Å²	85.1	26%	0.264	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	52.7	-174.5	-65.3	-67.4	-58.1	-96.1	5.4	112	I241 H242 D247 L248	I241-R245 HydrophobicContact CG2-CB 4.33Å; I241-R245 VanDerWaalsContact O-CA 3.31Å; I241-R245 WeakPolarHBondContact O-CA 3.47Å; I241-R245 VanDerWaalsContact O-CB 3.22Å; I241-R245 WeakPolarHBondContact O-CB 3.35Å; I241-R245 PolarHBondContact O-N 3.41Å; H242-R245 CarbonylContact O-C 3.38Å; R245-D247 WeakPolarHBondContact CA-OD1 3.43Å; R245-D247 WeakPolarHBondContact CB-OD1 3.26Å; R245-D247 WeakPolarHBondContact CD-OD1 3.42Å; R245-D247 IonicContact CZ-OD1 2.68Å; R245-D247 IonicContact CZ-OD2 3.54Å; R245-D247 IonicContact NE-OD1 3.47Å; R245-D247 PolarHBondContact NE-OD1 3.09Å; R245-D247 IonicContact NE-OD2 3.38Å; R245-D247 PolarHBondContact NE-OD2 2.82Å; R245-D247 IonicContact NH2-OD2 3.18Å; R245-D247 PolarHBondContact NH2-OD2 3.29Å; R245-D247 PolarHBondContact O-N 3.38Å; R245-D247 VanDerWaalsContact O-N 3.13Å; R245-L248 HydrophobicContact CB-CB 4.39Å; R245-L248 HydrophobicContact CB-CD1 3.55Å; R245-L248 HydrophobicContact CB-CG 3.84Å; R245-L248 HydrophobicContact CG-CD1 3.99Å; R245-L248 VanDerWaalsContact NH2-CD2 3.26Å; R245-L248 WeakPolarHBondContact O-CB 3.25Å; R245-L248 PolarHBondContact O-N 3.31Å
246	Q	63.2	Low	63	Low	135 Å²	135	86.7 Å²	86.7	63%	0.631	42%	0.415	S	S	*	.	H	α-helix	trans	-55.5	-27.6	172.7	-66.6	-178	-3.5	0	0	112.2	H242 L248 R249 G250	H242-Q246 WeakPolarHBondContact O-CA 3.32Å; H242-Q246 WeakPolarHBondContact O-CG 3.38Å; H242-Q246 PolarHBondContact O-N 3.1Å; H242-Q246 VanDerWaalsContact O-N 3.15Å; Q246-L248 VanDerWaalsContact C-N 3.29Å; Q246-L248 PolarHBondContact O-N 2.69Å; Q246-R249 PolarHBondContact O-N 3.4Å; Q246-G250 PolarHBondContact O-N 2.83Å
247	D	65.3	Low	62.1	Low	29 Å²	29	82.7 Å²	82.7	16%	0.155	40%	0.4	C	S	.	.	H	α-helix	trans	-57.4	-38.4	174.4	63.3	-56.2	0	0	0	112.6	R245 R249 G250 F251	R245-D247 WeakPolarHBondContact CA-OD1 3.43Å; R245-D247 WeakPolarHBondContact CB-OD1 3.26Å; R245-D247 WeakPolarHBondContact CD-OD1 3.42Å; R245-D247 IonicContact CZ-OD1 2.68Å; R245-D247 IonicContact CZ-OD2 3.54Å; R245-D247 IonicContact NE-OD1 3.47Å; R245-D247 PolarHBondContact NE-OD1 3.09Å; R245-D247 IonicContact NE-OD2 3.38Å; R245-D247 PolarHBondContact NE-OD2 2.82Å; R245-D247 IonicContact NH2-OD2 3.18Å; R245-D247 PolarHBondContact NH2-OD2 3.29Å; R245-D247 PolarHBondContact O-N 3.38Å; R245-D247 VanDerWaalsContact O-N 3.13Å; D247-R249 VanDerWaalsContact C-N 3.34Å; D247-R249 PolarHBondContact O-N 2.88Å; D247-G250 PolarHBondContact O-N 2.91Å; D247-F251 VanDerWaalsContact O-CB 3.31Å; D247-F251 WeakPolarHBondContact O-CB 3.41Å; D247-F251 PolarHBondContact O-N 3.48Å
248	L	64.6	Low	61.1	Low	55 Å²	55	90.2 Å²	90.2	29%	0.288	43%	0.427	S	S	.	.	H	α-helix	trans	-64.2	-39.6	-176.8	-71.3	176.2	0	0	0	112	I241 R245 Q246 F251 F252	I241-L248 HydrophobicContact CG2-CD1 4.37Å; R245-L248 HydrophobicContact CB-CB 4.39Å; R245-L248 HydrophobicContact CB-CD1 3.55Å; R245-L248 HydrophobicContact CB-CG 3.84Å; R245-L248 HydrophobicContact CG-CD1 3.99Å; R245-L248 VanDerWaalsContact NH2-CD2 3.26Å; R245-L248 WeakPolarHBondContact O-CB 3.25Å; R245-L248 PolarHBondContact O-N 3.31Å; Q246-L248 VanDerWaalsContact C-N 3.29Å; Q246-L248 PolarHBondContact O-N 2.69Å; L248-F251 PolarHBondContact O-N 3.17Å; L248-F252 HydrophobicContact CD2-CE2 4.04Å; L248-F252 VanDerWaalsContact O-CD2 3.32Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 3.29Å; L248-F252 VanDerWaalsContact O-N 3.13Å
249	R	59.2	Low	60.3	Low	161 Å²	161	90.8 Å²	90.8	61%	0.608	44%	0.438	S	S	*	.	H	α-helix	trans	-62.5	-49.4	176.3	-167.9	175.6	-164.6	-176.3	7.7	110	Q246 D247 F251 F252 D253	Q246-R249 PolarHBondContact O-N 3.4Å; D247-R249 VanDerWaalsContact C-N 3.34Å; D247-R249 PolarHBondContact O-N 2.88Å; R249-F251 VanDerWaalsContact C-N 3.33Å; R249-F251 PolarHBondContact O-N 3.27Å; R249-F252 PolarHBondContact O-N 3.18Å; R249-D253 WeakPolarHBondContact CG-OD2 3.4Å; R249-D253 IonicContact NE-OD2 3.15Å; R249-D253 WeakPolarHBondContact O-CB 3.34Å; R249-D253 PolarHBondContact O-N 3.32Å
250	G	57.3	Low	59.4	Low	6 Å²	6	92.6 Å²	92.6	6%	0.062	44%	0.438	C	S	.	.	H	α-helix	trans	-60.3	-41.3	177	0	0	0	0	0	113.6	Q246 D247 R255	Q246-G250 PolarHBondContact O-N 2.83Å; D247-G250 PolarHBondContact O-N 2.91Å; G250-R255 WeakPolarHBondContact O-CG 3.09Å
251	F	59.9	Low	58.5	Low	68 Å²	68	93.1 Å²	93.1	30%	0.298	44%	0.439	S	S	.	.	H	α-helix	trans	-68.2	-39.5	-175.6	-167.2	-100	0	0	0	112.5	K105 D247 L248 R249 I257	K105-F251 HydrophobicContact CD-CD1 3.85Å; K105-F251 HydrophobicContact CD-CE1 3.54Å; K105-F251 HydrophobicContact CD-CZ 4.01Å; K105-F251 WeakPolarHBondContact CD-O 3.2Å; K105-F251 WeakPolarHBondContact CE-O 3.36Å; K105-F251 PolarHBondContact NZ-O 2.87Å; D247-F251 VanDerWaalsContact O-CB 3.31Å; D247-F251 WeakPolarHBondContact O-CB 3.41Å; D247-F251 PolarHBondContact O-N 3.48Å; L248-F251 PolarHBondContact O-N 3.17Å; R249-F251 VanDerWaalsContact C-N 3.33Å; R249-F251 PolarHBondContact O-N 3.27Å; F251-I257 HydrophobicContact CD2-CD1 3.52Å; F251-I257 HydrophobicContact CD2-CG1 4.47Å; F251-I257 HydrophobicContact CE2-CD1 3.57Å
252	F	61.5	Low	57.5	Low	36 Å²	36	93.9 Å²	93.9	16%	0.158	45%	0.447	C	S	.	.	H	α-helix	trans	-95	-14.2	-177.1	-69.6	-70.2	0	0	0	114.4	L40 R43 L102 L248 R249 Q254	L40-F252 HydrophobicContact CD2-CD1 3.89Å; L40-F252 HydrophobicContact CD2-CE1 4.18Å; L40-F252 HydrophobicContact CD2-CG 4.41Å; R43-F252 PolarHBondContact NH1-O 2.8Å; R43-F252 PolarHBondContact NH2-O 2.87Å; L102-F252 HydrophobicContact CD1-CZ 4.26Å; L248-F252 HydrophobicContact CD2-CE2 4.04Å; L248-F252 VanDerWaalsContact O-CD2 3.32Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 3.29Å; L248-F252 VanDerWaalsContact O-N 3.13Å; R249-F252 PolarHBondContact O-N 3.18Å; F252-Q254 VanDerWaalsContact C-N 3.31Å; F252-Q254 PolarHBondContact O-N 3.48Å
253	D	60.8	Low	56.1	Low	88 Å²	88	98.7 Å²	98.7	47%	0.471	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	19.8	178	-69.9	-15.4	0	0	0	114	R249 R255	R249-D253 WeakPolarHBondContact CG-OD2 3.4Å; R249-D253 IonicContact NE-OD2 3.15Å; R249-D253 WeakPolarHBondContact O-CB 3.34Å; R249-D253 PolarHBondContact O-N 3.32Å; D253-R255 PolarHBondContact O-N 2.97Å
254	Q	54.5	Low	54.5	Low	151 Å²	151	97.6 Å²	97.6	71%	0.706	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	19.8	173.7	-68.4	-174.8	-9.9	0	0	116.4	F252	F252-Q254 VanDerWaalsContact C-N 3.31Å; F252-Q254 PolarHBondContact O-N 3.48Å
255	R	50.9	Low	53.2	Low	103 Å²	103	93.9 Å²	93.9	39%	0.389	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-69.7	137.1	163.2	68	-177	-176.3	86.4	-2.9	109.1	G250 D253 I257 E261	G250-R255 WeakPolarHBondContact O-CG 3.09Å; D253-R255 PolarHBondContact O-N 2.97Å; R255-I257 PolarHBondContact O-N 3.24Å; R255-I257 VanDerWaalsContact O-N 3.17Å; R255-E261 IonicContact CZ-OE1 3.97Å; R255-E261 IonicContact CZ-OE2 3.35Å; R255-E261 IonicContact NH1-OE1 3.39Å; R255-E261 PolarHBondContact NH1-OE1 2.75Å; R255-E261 IonicContact NH1-OE2 3.92Å; R255-E261 PolarHBondContact NH1-OE2 3.5Å; R255-E261 IonicContact NH2-OE1 3.2Å; R255-E261 PolarHBondContact NH2-OE1 3.13Å; R255-E261 IonicContact NH2-OE2 3.7Å
256	P	47.7	Very low	51.5	Low	115 Å²	115	94 Å²	94	75%	0.747	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-55.7	124.9	171.2	17.4	-25.4	0	0	0	108.7	R258	P256-R258 PolarHBondContact O-N 3.46Å
257	I	50	Low	50	Low	66 Å²	66	92.4 Å²	92.4	34%	0.338	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-66.7	118.9	174.2	-58.7	170.3	0	0	0	105.5	F251 R255 E261 V262	F251-I257 HydrophobicContact CD2-CD1 3.52Å; F251-I257 HydrophobicContact CD2-CG1 4.47Å; F251-I257 HydrophobicContact CE2-CD1 3.57Å; R255-I257 PolarHBondContact O-N 3.24Å; R255-I257 VanDerWaalsContact O-N 3.17Å; I257-E261 HydrophobicContact CG2-CB 3.8Å; I257-V262 HydrophobicContact CG2-CG2 3.84Å
258	R	47.3	Very low	48.4	Very low	162 Å²	162	94.8 Å²	94.8	61%	0.611	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-72.3	150.3	177.9	-54.8	-174.3	176.2	174.9	-4.2	109.2	P256 E260 E261 V262	P256-R258 PolarHBondContact O-N 3.46Å; R258-E260 HydrophobicContact CB-CG 4.11Å; R258-E260 WeakPolarHBondContact CB-OE1 3.23Å; R258-E260 WeakPolarHBondContact CB-OE2 3.19Å; R258-E260 WeakPolarHBondContact CD-OE1 3.49Å; R258-E260 IonicContact NH1-OE1 2.95Å; R258-E260 PolarHBondContact O-N 3.38Å; R258-E260 VanDerWaalsContact O-N 3.08Å; R258-E261 HydrophobicContact CB-CG 4.38Å; R258-E261 PolarHBondContact N-OE2 3.03Å; R258-E261 VanDerWaalsContact N-OE2 3.07Å; R258-E261 WeakPolarHBondContact O-CB 3.2Å; R258-E261 PolarHBondContact O-N 3.23Å; R258-V262 PolarHBondContact O-N 2.83Å
259	A	51.2	Low	46.8	Very low	84 Å²	84	95.1 Å²	95.1	69%	0.694	46%	0.46	S	S	*	.	H	α-helix	trans	-55.7	-32.4	-174.6	0	0	0	0	0	112.5	E261 V262	A259-E261 VanDerWaalsContact C-N 3.32Å; A259-E261 PolarHBondContact O-N 2.81Å; A259-V262 PolarHBondContact O-N 3.28Å
260	E	48.1	Very low	45.3	Very low	118 Å²	118	90.6 Å²	90.6	55%	0.551	45%	0.452	S	S	*	.	H	α-helix	trans	-65.3	-28.9	174.9	62.5	-89.3	-155.9	0	0	114.1	R258	R258-E260 HydrophobicContact CB-CG 4.11Å; R258-E260 WeakPolarHBondContact CB-OE1 3.23Å; R258-E260 WeakPolarHBondContact CB-OE2 3.19Å; R258-E260 WeakPolarHBondContact CD-OE1 3.49Å; R258-E260 IonicContact NH1-OE1 2.95Å; R258-E260 PolarHBondContact O-N 3.38Å; R258-E260 VanDerWaalsContact O-N 3.08Å
261	E	47.3	Very low	43.8	Very low	50 Å²	50	99 Å²	99	23%	0.234	48%	0.483	C	S	.	.	H	α-helix	trans	-81.2	-24.3	-179.1	-61.5	-178	124.4	0	0	112.3	R255 I257 R258 A259 R263 Y264 V265	R255-E261 IonicContact CZ-OE1 3.97Å; R255-E261 IonicContact CZ-OE2 3.35Å; R255-E261 IonicContact NH1-OE1 3.39Å; R255-E261 PolarHBondContact NH1-OE1 2.75Å; R255-E261 IonicContact NH1-OE2 3.92Å; R255-E261 PolarHBondContact NH1-OE2 3.5Å; R255-E261 IonicContact NH2-OE1 3.2Å; R255-E261 PolarHBondContact NH2-OE1 3.13Å; R255-E261 IonicContact NH2-OE2 3.7Å; I257-E261 HydrophobicContact CG2-CB 3.8Å; R258-E261 HydrophobicContact CB-CG 4.38Å; R258-E261 PolarHBondContact N-OE2 3.03Å; R258-E261 VanDerWaalsContact N-OE2 3.07Å; R258-E261 WeakPolarHBondContact O-CB 3.2Å; R258-E261 PolarHBondContact O-N 3.23Å; A259-E261 VanDerWaalsContact C-N 3.32Å; A259-E261 PolarHBondContact O-N 2.81Å; E261-R263 VanDerWaalsContact C-N 3.26Å; E261-R263 PolarHBondContact O-N 3.48Å; E261-Y264 PolarHBondContact O-N 2.96Å; E261-Y264 VanDerWaalsContact O-N 3.15Å; E261-V265 WeakPolarHBondContact O-CG2 3.31Å; E261-V265 PolarHBondContact O-N 3.02Å
262	V	49.5	Very low	42.3	Very low	92 Å²	92	100.1 Å²	100.1	56%	0.558	49%	0.492	S	S	*	.	H	α-helix	trans	-59.7	-40.8	176.5	-178.7	0	0	0	0	110.6	I257 R258 A259 S266	I257-V262 HydrophobicContact CG2-CG2 3.84Å; R258-V262 PolarHBondContact O-N 2.83Å; A259-V262 PolarHBondContact O-N 3.28Å; V262-S266 PolarHBondContact O-N 3.35Å
263	R	38.7	Very low	40.7	Very low	198 Å²	198	102.5 Å²	102.5	75%	0.747	50%	0.502	S	S	*	.	H	α-helix	trans	-67.5	-40.3	176.6	-146.6	172.3	-169.5	163.9	2.5	111.4	E261 S266 D267	E261-R263 VanDerWaalsContact C-N 3.26Å; E261-R263 PolarHBondContact O-N 3.48Å; R263-S266 WeakPolarHBondContact O-CB 3.47Å; R263-S266 PolarHBondContact O-N 3.42Å; R263-D267 PolarHBondContact O-N 3.38Å; R263-D267 VanDerWaalsContact O-N 3.09Å
264	Y	36.2	Very low	39.1	Very low	140 Å²	140	101.1 Å²	101.1	55%	0.549	50%	0.499	S	S	.	.	H	α-helix	trans	-69.3	-35.7	-178.6	-157.3	-99	0	0	0	113.6	E261 K268	E261-Y264 PolarHBondContact O-N 2.96Å; E261-Y264 VanDerWaalsContact O-N 3.15Å; Y264-K268 HydrophobicContact CD1-CD 4.2Å; Y264-K268 HydrophobicContact CE1-CD 3.7Å; Y264-K268 HydrophobicContact CE1-CG 4.28Å; Y264-K268 PolarHBondContact O-N 3.49Å; Y264-K268 VanDerWaalsContact O-N 3.12Å; Y264-K268 WeakPolarHBondContact OH-CE 3.12Å
265	V	36.4	Very low	37.8	Very low	45 Å²	45	98.1 Å²	98.1	27%	0.273	49%	0.494	S	S	.	.	H	α-helix	trans	-68	-39	174.8	174.7	0	0	0	0	111	E261 F269	E261-V265 WeakPolarHBondContact O-CG2 3.31Å; E261-V265 PolarHBondContact O-N 3.02Å; V265-F269 PolarHBondContact O-N 3.31Å
266	S	32.1	Very low	36.9	Very low	71 Å²	71	96 Å²	96	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-47.1	174.7	-175.1	0	0	0	0	111.7	V262 R263 F269 C270	V262-S266 PolarHBondContact O-N 3.35Å; R263-S266 WeakPolarHBondContact O-CB 3.47Å; R263-S266 PolarHBondContact O-N 3.42Å; S266-F269 PolarHBondContact O-N 3.11Å; S266-C270 PolarHBondContact O-N 2.76Å
267	D	32.2	Very low	36.1	Very low	103 Å²	103	94.5 Å²	94.5	55%	0.551	48%	0.479	S	S	*	.	H	α-helix	trans	-70.9	-37.3	-176.2	-68.9	-20.4	0	0	0	112.9	R263 C270 Y271	R263-D267 PolarHBondContact O-N 3.38Å; R263-D267 VanDerWaalsContact O-N 3.09Å; D267-C270 WeakPolarHBondContact O-CB 3.41Å; D267-C270 PolarHBondContact O-N 3.1Å; D267-Y271 PolarHBondContact O-N 3.48Å
268	K	32	Very low	35.2	Very low	79 Å²	79	96.4 Å²	96.4	34%	0.343	49%	0.489	S	S	.	.	H	α-helix	trans	-69.8	-30.2	175.8	-87.1	-170.4	171.5	-174.3	0	113.3	Y264 C270 Y271	Y264-K268 HydrophobicContact CD1-CD 4.2Å; Y264-K268 HydrophobicContact CE1-CD 3.7Å; Y264-K268 HydrophobicContact CE1-CG 4.28Å; Y264-K268 PolarHBondContact O-N 3.49Å; Y264-K268 VanDerWaalsContact O-N 3.12Å; Y264-K268 WeakPolarHBondContact OH-CE 3.12Å; K268-C270 VanDerWaalsContact C-N 3.34Å; K268-Y271 PolarHBondContact O-N 2.82Å
269	F	29.6	Very low	34.5	Very low	61 Å²	61	93.1 Å²	93.1	27%	0.268	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-39.1	172.2	-113.4	-88.5	0	0	0	111.5	H164 D189 V265 S266 Y271 L272	H164-F269 AromaticContact CE1-CE1 3.6Å; H164-F269 AromaticContact CE1-CZ 3.58Å; H164-F269 AromaticContact NE2-CE1 3.28Å; H164-F269 VanDerWaalsContact NE2-CE1 3.28Å; H164-F269 WeakPolarHBondContact NE2-CE1 3.43Å; H164-F269 AromaticContact NE2-CZ 3.47Å; H164-F269 WeakPolarHBondContact NE2-CZ 3.45Å; D189-F269 VanDerWaalsContact OD2-CD1 3.26Å; D189-F269 WeakPolarHBondContact OD2-CD1 3.25Å; V265-F269 PolarHBondContact O-N 3.31Å; S266-F269 PolarHBondContact O-N 3.11Å; F269-Y271 VanDerWaalsContact C-N 3.32Å; F269-Y271 PolarHBondContact O-N 2.88Å; F269-L272 PolarHBondContact O-N 3.26Å
270	C	28.3	Very low	34.2	Very low	66 Å²	66	92.7 Å²	92.7	45%	0.446	48%	0.475	S	S	.	.	H	α-helix	trans	-60.3	-36.3	173.2	-81.2	0	0	0	0	113.4	S266 D267 K268 L272 K273	S266-C270 PolarHBondContact O-N 2.76Å; D267-C270 WeakPolarHBondContact O-CB 3.41Å; D267-C270 PolarHBondContact O-N 3.1Å; K268-C270 VanDerWaalsContact C-N 3.34Å; C270-L272 VanDerWaalsContact C-N 3.32Å; C270-L272 PolarHBondContact O-N 3.47Å; C270-K273 WeakPolarHBondContact O-CB 3.45Å; C270-K273 PolarHBondContact O-N 2.99Å
271	Y	26	Very low	33.9	Very low	183 Å²	183	94.9 Å²	94.9	72%	0.718	48%	0.482	S	S	*	.	H	α-helix	trans	-70.4	-25.1	-177.9	-154	-91.8	0	0	0	113.8	D267 K268 F269 S274	D267-Y271 PolarHBondContact O-N 3.48Å; K268-Y271 PolarHBondContact O-N 2.82Å; F269-Y271 VanDerWaalsContact C-N 3.32Å; F269-Y271 PolarHBondContact O-N 2.88Å; Y271-S274 PolarHBondContact O-OG 3.44Å
272	L	28.1	Very low	33.5	Very low	91 Å²	91	100.8 Å²	100.8	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-77	-26.8	173.3	-99.4	150.2	0	0	0	112.3	F269 C270 S274 C275 F276	F269-L272 PolarHBondContact O-N 3.26Å; C270-L272 VanDerWaalsContact C-N 3.32Å; C270-L272 PolarHBondContact O-N 3.47Å; L272-S274 VanDerWaalsContact C-N 3.32Å; L272-S274 PolarHBondContact O-N 2.8Å; L272-C275 PolarHBondContact O-N 3.19Å; L272-F276 HydrophobicContact CD2-CE2 4.14Å
273	K	28.8	Very low	33.2	Very low	87 Å²	87	97 Å²	97	38%	0.378	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-35.7	176.2	-73	-176.5	173.6	173.1	0	113.1	D189 C270 C275	D189-K273 WeakPolarHBondContact OD1-CE 3.31Å; D189-K273 IonicContact OD1-NZ 3.87Å; D189-K273 PolarHBondContact OD1-NZ 3.2Å; D189-K273 WeakPolarHBondContact OD2-CE 3.24Å; D189-K273 IonicContact OD2-NZ 2.61Å; C270-K273 WeakPolarHBondContact O-CB 3.45Å; C270-K273 PolarHBondContact O-N 2.99Å; K273-C275 VanDerWaalsContact C-N 3.3Å; K273-C275 PolarHBondContact O-N 3.33Å
274	S	26.7	Very low	33.4	Very low	58 Å²	58	90.3 Å²	90.3	41%	0.406	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.2	-178.3	48.9	0	0	0	0	113.8	Y271 L272	Y271-S274 PolarHBondContact O-OG 3.44Å; L272-S274 VanDerWaalsContact C-N 3.32Å; L272-S274 PolarHBondContact O-N 2.8Å
275	C	27.2	Very low	33.9	Very low	89 Å²	89	88.1 Å²	88.1	60%	0.601	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.7	-174.2	-67.3	0	0	0	0	114.6	L272 K273	L272-C275 PolarHBondContact O-N 3.19Å; K273-C275 VanDerWaalsContact C-N 3.3Å; K273-C275 PolarHBondContact O-N 3.33Å
276	F	31.6	Very low	34.6	Very low	59 Å²	59	91.6 Å²	91.6	26%	0.259	47%	0.465	S	S	.	.			trans	-120.3	21.5	-171.8	-76.3	-76.8	0	0	0	115.3	W191 P226 L272 L278	W191-F276 HydrophobicContact CH2-CB 4.46Å; W191-F276 HydrophobicContact CZ2-CB 3.95Å; P226-F276 HydrophobicContact CG-CZ 4.12Å; L272-F276 HydrophobicContact CD2-CE2 4.14Å; F276-L278 VanDerWaalsContact C-N 3.33Å; F276-L278 PolarHBondContact O-N 3.4Å
277	C	30.9	Very low	35.4	Very low	83 Å²	83	89.1 Å²	89.1	56%	0.561	45%	0.445	S	S	*	.			trans	-66.8	86	171.9	-100	0	0	0	0	111.8	R218	R218-C277 PolarHBondContact NH1-O 2.82Å
278	L	31	Very low	35.8	Very low	105 Å²	105	89.5 Å²	89.5	55%	0.55	44%	0.442	S	S	.	.			trans	-108.7	89.4	171.8	-85.1	151.8	0	0	0	110.7	R218 F276	R218-L278 VanDerWaalsContact CZ-CD2 3.48Å; R218-L278 VanDerWaalsContact NH2-CD2 3.29Å; F276-L278 VanDerWaalsContact C-N 3.33Å; F276-L278 PolarHBondContact O-N 3.4Å
279	S	33.9	Very low	36.1	Very low	94 Å²	94	91 Å²	91	66%	0.657	45%	0.453	S	S	*	.			trans	41.1	94.1	151.3	62.7	0	0	0	0	118.9
280	E	43.8	Very low	36.8	Very low	75 Å²	75	89.9 Å²	89.9	35%	0.35	45%	0.452	S	S	.	.			trans	-140.9	70	174.4	-91.9	179.1	179.3	0	0	113.2	F169 K282 L283 Y284	F169-E280 WeakPolarHBondContact CE2-OE1 3.5Å; F169-E280 WeakPolarHBondContact CE2-OE2 3.43Å; E280-K282 VanDerWaalsContact C-N 3.35Å; E280-L283 HydrophobicContact CB-CB 3.61Å; E280-L283 HydrophobicContact CG-CB 3.81Å; E280-L283 HydrophobicContact CG-CD1 4.22Å; E280-L283 HydrophobicContact CG-CG 4.48Å; E280-L283 VanDerWaalsContact OE2-CD2 3.29Å; E280-L283 WeakPolarHBondContact OE2-CD2 3.4Å; E280-Y284 PolarHBondContact O-N 3.31Å
281	K	41.1	Very low	37.2	Very low	163 Å²	163	89.6 Å²	89.6	71%	0.709	45%	0.451	S	S	*	.	H	α-helix	trans	-67.4	-35.1	172.9	-162.2	175.5	-178.1	-179.6	0	112.2
282	K	40.7	Very low	37.6	Very low	174 Å²	174	88.5 Å²	88.5	76%	0.757	45%	0.449	S	S	*	.	H	α-helix	trans	-76.5	-30.5	178.9	-77.4	-176.1	175.7	-178.6	0	113.1	E280 R286	E280-K282 VanDerWaalsContact C-N 3.35Å; K282-R286 PolarHBondContact O-N 3.07Å
283	L	42.2	Very low	37.9	Very low	12 Å²	12	93.8 Å²	93.8	6%	0.063	46%	0.463	C	S	.	.	H	α-helix	trans	-72.4	-46.1	-178.7	-144.1	113.1	0	0	0	110.4	E140 F169 E280 D285 R286 Y287	E140-L283 WeakPolarHBondContact OE2-CD1 3.44Å; F169-L283 HydrophobicContact CD2-CD2 3.78Å; F169-L283 HydrophobicContact CE2-CD1 3.4Å; F169-L283 HydrophobicContact CE2-CD2 3.24Å; F169-L283 HydrophobicContact CE2-CG 3.88Å; F169-L283 HydrophobicContact CZ-CD1 3.48Å; F169-L283 VanDerWaalsContact CZ-CD1 3.48Å; F169-L283 HydrophobicContact CZ-CD2 4.18Å; F169-L283 HydrophobicContact CZ-CG 4.41Å; E280-L283 HydrophobicContact CB-CB 3.61Å; E280-L283 HydrophobicContact CG-CB 3.81Å; E280-L283 HydrophobicContact CG-CD1 4.22Å; E280-L283 HydrophobicContact CG-CG 4.48Å; E280-L283 VanDerWaalsContact OE2-CD2 3.29Å; E280-L283 WeakPolarHBondContact OE2-CD2 3.4Å; L283-D285 VanDerWaalsContact C-N 3.28Å; L283-D285 PolarHBondContact O-N 3.47Å; L283-R286 PolarHBondContact O-N 3.06Å; L283-Y287 HydrophobicContact CB-CE2 4.45Å; L283-Y287 HydrophobicContact CD1-CE2 4.24Å; L283-Y287 HydrophobicContact CD2-CD1 4.35Å; L283-Y287 HydrophobicContact CD2-CD2 3.58Å; L283-Y287 HydrophobicContact CD2-CE1 3.9Å; L283-Y287 HydrophobicContact CD2-CE2 3.06Å; L283-Y287 HydrophobicContact CD2-CG 4.2Å; L283-Y287 HydrophobicContact CG-CD2 3.82Å; L283-Y287 HydrophobicContact CG-CE2 3.33Å; L283-Y287 WeakPolarHBondContact O-CD2 3.25Å; L283-Y287 PolarHBondContact O-N 3.18Å
284	Y	42.8	Very low	38.3	Very low	58 Å²	58	94.7 Å²	94.7	23%	0.227	47%	0.468	C	S	.	.	H	α-helix	trans	-51	-44	174.2	-176.2	-94.6	0	0	0	113.6	E195 E280 R286 Y287 K288	E195-Y284 HydrophobicContact CG-CE2 3.86Å; E195-Y284 WeakPolarHBondContact OE1-CE2 3.43Å; E195-Y284 PolarHBondContact OE1-OH 2.91Å; E280-Y284 PolarHBondContact O-N 3.31Å; Y284-R286 PolarHBondContact O-N 2.79Å; Y284-Y287 PolarHBondContact O-N 2.73Å; Y284-K288 HydrophobicContact CE1-CD 4.32Å; Y284-K288 PolarHBondContact O-N 3.23Å
285	D	47.5	Very low	38.6	Very low	94 Å²	94	102.1 Å²	102.1	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-68.2	-34	-179.2	-68.4	-20.3	0	0	0	112.6	L283	L283-D285 VanDerWaalsContact C-N 3.28Å; L283-D285 PolarHBondContact O-N 3.47Å
286	R	49.4	Very low	38.5	Very low	119 Å²	119	100.5 Å²	100.5	45%	0.449	48%	0.482	S	S	.	.	H	α-helix	trans	-67.9	-37.1	171.8	-129.1	-178.7	-160.2	-179.9	6.5	111.4	K282 L283 Y284	K282-R286 PolarHBondContact O-N 3.07Å; L283-R286 PolarHBondContact O-N 3.06Å; Y284-R286 PolarHBondContact O-N 2.79Å
287	Y	49.3	Very low	38.2	Very low	19 Å²	19	111.8 Å²	111.8	8%	0.075	53%	0.525	C	S	.	.	H	α-helix	trans	-81.3	-29.5	-172.3	-79	-120.5	0	0	0	113.1	F169 C172 L176 F193 L283 Y284 N289 V290	F169-Y287 PolarHBondContact O-OH 2.98Å; C172-Y287 HydrophobicContact CB-CD1 4.29Å; C172-Y287 HydrophobicContact CB-CE1 3.42Å; C172-Y287 VanDerWaalsContact CB-CE1 3.42Å; L176-Y287 HydrophobicContact CD1-CD2 3.97Å; L176-Y287 HydrophobicContact CD1-CE2 3.86Å; F193-Y287 AromaticContact CE1-CD1 3.85Å; F193-Y287 HydrophobicContact CE1-CD1 3.85Å; F193-Y287 HydrophobicContact CE1-CE1 4.39Å; F193-Y287 HydrophobicContact CE2-CD1 4.49Å; F193-Y287 HydrophobicContact CE2-CE1 4.26Å; F193-Y287 AromaticContact CZ-CD1 3.66Å; F193-Y287 HydrophobicContact CZ-CD1 3.66Å; F193-Y287 AromaticContact CZ-CE1 3.75Å; F193-Y287 HydrophobicContact CZ-CE1 3.75Å; L283-Y287 HydrophobicContact CB-CE2 4.45Å; L283-Y287 HydrophobicContact CD1-CE2 4.24Å; L283-Y287 HydrophobicContact CD2-CD1 4.35Å; L283-Y287 HydrophobicContact CD2-CD2 3.58Å; L283-Y287 HydrophobicContact CD2-CE1 3.9Å; L283-Y287 HydrophobicContact CD2-CE2 3.06Å; L283-Y287 HydrophobicContact CD2-CG 4.2Å; L283-Y287 HydrophobicContact CG-CD2 3.82Å; L283-Y287 HydrophobicContact CG-CE2 3.33Å; L283-Y287 WeakPolarHBondContact O-CD2 3.25Å; L283-Y287 PolarHBondContact O-N 3.18Å; Y284-Y287 PolarHBondContact O-N 2.73Å; Y287-N289 PolarHBondContact O-N 3.13Å; Y287-N289 VanDerWaalsContact O-N 3.12Å; Y287-V290 WeakPolarHBondContact O-CB 3.3Å; Y287-V290 PolarHBondContact O-N 3.14Å
288	K	40.6	Very low	38.6	Very low	110 Å²	110	113.3 Å²	113.3	48%	0.478	52%	0.523	S	S	.	.	H	α-helix	trans	-58.5	-25.7	177.1	-169.3	173.8	-177.6	174.9	0	113.8	Y284	Y284-K288 HydrophobicContact CE1-CD 4.32Å; Y284-K288 PolarHBondContact O-N 3.23Å
289	N	39.6	Very low	39	Very low	110 Å²	110	113.7 Å²	113.7	59%	0.588	52%	0.522	S	S	*	.	H	α-helix	trans	-81.7	-16.2	177.4	-70.1	-33.6	0	0	0	113.5	Y287	Y287-N289 PolarHBondContact O-N 3.13Å; Y287-N289 VanDerWaalsContact O-N 3.12Å
290	V	43.2	Very low	39.3	Very low	39 Å²	39	114.8 Å²	114.8	24%	0.236	51%	0.514	C	S	.	.	H	α-helix	trans	-82.5	-43.6	-179.9	-173.7	0	0	0	0	111.5	L176 Y287 K292 R293 Q294	L176-V290 HydrophobicContact CD1-CG2 3.92Å; L176-V290 HydrophobicContact CD2-CG2 3.11Å; L176-V290 HydrophobicContact CG-CG2 3.51Å; Y287-V290 WeakPolarHBondContact O-CB 3.3Å; Y287-V290 PolarHBondContact O-N 3.14Å; V290-K292 PolarHBondContact O-N 3.12Å; V290-R293 PolarHBondContact O-N 3.25Å; V290-Q294 PolarHBondContact O-N 2.94Å
291	S	36.5	Very low	39	Very low	60 Å²	60	117.1 Å²	117.1	42%	0.42	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-30.2	-179.2	72.9	0	0	0	0	112.1	R293 Q294 Y295	S291-R293 VanDerWaalsContact C-N 3.28Å; S291-R293 PolarHBondContact O-N 3.39Å; S291-Q294 PolarHBondContact O-N 3.16Å; S291-Y295 WeakPolarHBondContact O-CD2 3.2Å
292	K	35.2	Very low	38.9	Very low	159 Å²	159	114.3 Å²	114.3	69%	0.691	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.9	173.5	-73.6	-170.6	174.8	-173	0	114.3	V290	V290-K292 PolarHBondContact O-N 3.12Å
293	R	34.9	Very low	38.8	Very low	203 Å²	203	110.3 Å²	110.3	77%	0.766	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-18.7	177.2	-71.9	-174.5	-176.4	-179.9	1.5	113.3	V290 S291 Y295 A296	V290-R293 PolarHBondContact O-N 3.25Å; S291-R293 VanDerWaalsContact C-N 3.28Å; S291-R293 PolarHBondContact O-N 3.39Å; R293-Y295 VanDerWaalsContact C-N 3.27Å; R293-Y295 PolarHBondContact O-N 3.23Å; R293-A296 PolarHBondContact O-N 3.18Å
294	Q	36.7	Very low	38.5	Very low	105 Å²	105	117.3 Å²	117.3	49%	0.491	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.8	178.3	-90.7	177.6	-43.5	0	0	114.8	V290 S291	V290-Q294 PolarHBondContact O-N 2.94Å; S291-Q294 PolarHBondContact O-N 3.16Å
295	Y	32	Very low	38.2	Very low	215 Å²	215	121.8 Å²	121.8	84%	0.843	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	13.7	174	-66.5	-77.1	0	0	0	113.4	S291 R293	S291-Y295 WeakPolarHBondContact O-CD2 3.2Å; R293-Y295 VanDerWaalsContact C-N 3.27Å; R293-Y295 PolarHBondContact O-N 3.23Å
296	A	24.8	Very low	37.4	Very low	54 Å²	54	124.2 Å²	124.2	45%	0.446	55%	0.554	S	S	.	*			trans	-115.3	121.6	169.6	0	0	0	0	0	107	R293	R293-A296 PolarHBondContact O-N 3.18Å
297	Y	27	Very low	36.3	Very low	297 Å²	297	124.6 Å²	124.6	100%	1.165	56%	0.564	S	S	*	*			trans	85.6	0	-167.1	-52.2	-71.8	0	0	0	115.3

Retrieved 297 of 297 residues in 79.2 ms (Link to these results)

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