A0A087YIK7_POEFO Loading...

ArfGAP with dual PH domains 1

AlphaFold DB , UniProt , Accession A0A087YIK7, Species POEFO (Poecilia formosa, Amazon molly), Gene ADAP1, Length 376 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.3	Low	76.3	Confident	190 Å²	190	93.2 Å²	93.2	94%	0.936	51%	0.508	S	S	*	.				0	-73.9	0	-64.4	-154.1	-60.5	0	0	113.8	E4 A5	M1-E4 WeakPolarHBondContact CA-OE2 3.49Å; M1-E4 PolarHBondContact N-OE2 3.22Å; M1-E4 PolarHBondContact O-N 2.88Å; M1-A5 WeakPolarHBondContact O-CB 3.27Å; M1-A5 PolarHBondContact O-N 3.5Å
2	A	60.6	Low	77.8	Confident	86 Å²	86	85.8 Å²	85.8	71%	0.711	47%	0.467	S	S	*	.	H	α-helix	trans	-67.7	-41.8	-176.6	0	0	0	0	0	114.2	D6	A2-D6 PolarHBondContact O-N 2.89Å
3	L	63.5	Low	79	Confident	158 Å²	158	85.7 Å²	85.7	83%	0.827	46%	0.462	S	S	*	.	H	α-helix	trans	-67.9	-35.3	176.4	-70.6	165.9	0	0	0	113	G7	L3-G7 PolarHBondContact O-N 2.81Å
4	E	62.4	Low	80.2	Confident	123 Å²	123	87.1 Å²	87.1	58%	0.575	47%	0.469	S	S	*	.	H	α-helix	trans	-71.8	-39.7	176.1	-72.4	160.1	155.6	0	0	111.7	M1 D6 G7 N8	M1-E4 WeakPolarHBondContact CA-OE2 3.49Å; M1-E4 PolarHBondContact N-OE2 3.22Å; M1-E4 PolarHBondContact O-N 2.88Å; E4-D6 VanDerWaalsContact C-N 3.27Å; E4-D6 PolarHBondContact O-N 3.36Å; E4-G7 PolarHBondContact O-N 3.18Å; E4-N8 PolarHBondContact O-N 3.11Å
5	A	64.6	Low	81.2	Confident	46 Å²	46	81.7 Å²	81.7	38%	0.38	44%	0.441	S	S	.	.	H	α-helix	trans	-61.9	-36.4	174.9	0	0	0	0	0	112	M1 K9	M1-A5 WeakPolarHBondContact O-CB 3.27Å; M1-A5 PolarHBondContact O-N 3.5Å; A5-K9 PolarHBondContact O-N 3.3Å
6	D	75.1	Confident	82	Confident	100 Å²	100	79.1 Å²	79.1	54%	0.535	43%	0.426	S	S	.	.	H	α-helix	trans	-70.7	-40	174.6	-154	36.8	0	0	0	111.6	A2 E4 K9 L10	A2-D6 PolarHBondContact O-N 2.89Å; E4-D6 VanDerWaalsContact C-N 3.27Å; E4-D6 PolarHBondContact O-N 3.36Å; D6-K9 WeakPolarHBondContact O-CB 3.42Å; D6-K9 PolarHBondContact O-N 3.09Å; D6-L10 PolarHBondContact O-N 3.11Å
7	G	87.6	Confident	82.8	Confident	30 Å²	30	83.9 Å²	83.9	31%	0.309	45%	0.445	S	S	.	.	H	α-helix	trans	-62.8	-41.2	174.1	0	0	0	0	0	113.8	L3 E4 K9 L10 R11	L3-G7 PolarHBondContact O-N 2.81Å; E4-G7 PolarHBondContact O-N 3.18Å; G7-K9 VanDerWaalsContact C-N 3.35Å; G7-L10 PolarHBondContact O-N 2.73Å; G7-R11 WeakPolarHBondContact O-CG 3.03Å; G7-R11 PolarHBondContact O-N 2.96Å
8	N	91.6	Very high	83.4	Confident	10 Å²	10	84.4 Å²	84.4	5%	0.053	44%	0.443	C	S	.	.	H	α-helix	trans	-69.9	-32.8	177.4	-79	-13	0	0	0	113.2	E4 R11 L12 W67 D69 V72	E4-N8 PolarHBondContact O-N 3.11Å; N8-R11 PolarHBondContact O-N 3.18Å; N8-R11 PolarHBondContact OD1-NH1 3.02Å; N8-L12 WeakPolarHBondContact O-CB 3.4Å; N8-L12 PolarHBondContact O-N 2.77Å; N8-W67 HydrophobicContact CB-CB 4.47Å; N8-W67 PolarHBondContact ND2-O 2.72Å; N8-W67 VanDerWaalsContact ND2-O 3.12Å; N8-D69 PolarHBondContact ND2-N 2.88Å; N8-D69 PolarHBondContact ND2-OD1 3.47Å; N8-D69 PolarHBondContact OD1-OD1 3.47Å; N8-V72 HydrophobicContact CB-CG2 4.06Å
9	K	89.3	Confident	83.9	Confident	98 Å²	98	86.4 Å²	86.4	43%	0.426	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-44.2	172.9	-171.1	176.3	-177.8	177.1	0	111.5	A5 D6 G7 L12 Q13	A5-K9 PolarHBondContact O-N 3.3Å; D6-K9 WeakPolarHBondContact O-CB 3.42Å; D6-K9 PolarHBondContact O-N 3.09Å; G7-K9 VanDerWaalsContact C-N 3.35Å; K9-L12 PolarHBondContact O-N 3.13Å; K9-Q13 WeakPolarHBondContact O-CG 3.49Å; K9-Q13 PolarHBondContact O-N 2.78Å
10	L	90.9	Very high	84.3	Confident	95 Å²	95	83.6 Å²	83.6	50%	0.497	45%	0.453	S	S	.	.	H	α-helix	trans	-63.7	-48	175.2	-68.6	170.3	0	0	0	111.7	D6 G7 L12 Q13 D14	D6-L10 PolarHBondContact O-N 3.11Å; G7-L10 PolarHBondContact O-N 2.73Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 2.93Å; L10-Q13 WeakPolarHBondContact O-CB 3.41Å; L10-Q13 PolarHBondContact O-N 2.82Å; L10-D14 PolarHBondContact O-N 2.82Å
11	R	95.4	Very high	85	Confident	89 Å²	89	79.8 Å²	79.8	34%	0.336	43%	0.433	S	S	.	.	H	α-helix	trans	-58.1	-38.7	176.5	-70.5	168.2	64.4	-163.4	7.5	112.5	G7 N8 D14 V15 D69 V72 E73	G7-R11 WeakPolarHBondContact O-CG 3.03Å; G7-R11 PolarHBondContact O-N 2.96Å; N8-R11 PolarHBondContact O-N 3.18Å; N8-R11 PolarHBondContact OD1-NH1 3.02Å; R11-D14 PolarHBondContact O-N 3.16Å; R11-V15 WeakPolarHBondContact O-CG2 3.35Å; R11-V15 PolarHBondContact O-N 3.18Å; R11-V15 VanDerWaalsContact O-N 3.17Å; R11-D69 IonicContact NH1-OD1 3.76Å; R11-D69 PolarHBondContact NH1-OD1 2.94Å; R11-D69 VanDerWaalsContact NH1-OD1 3.09Å; R11-V72 HydrophobicContact CB-CG1 3.73Å; R11-E73 IonicContact NH2-OE1 2.77Å
12	L	94.7	Very high	86.7	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.021	41%	0.41	C	S	.	.	H	α-helix	trans	-68.1	-37.5	176.6	-174.8	69.4	0	0	0	111.8	N8 K9 L10 D14 V15 L16 F42 V63 W67 M75	N8-L12 WeakPolarHBondContact O-CB 3.4Å; N8-L12 PolarHBondContact O-N 2.77Å; K9-L12 PolarHBondContact O-N 3.13Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 2.93Å; L12-D14 VanDerWaalsContact C-N 3.35Å; L12-V15 WeakPolarHBondContact O-CB 3.27Å; L12-V15 PolarHBondContact O-N 3.17Å; L12-V15 VanDerWaalsContact O-N 3.16Å; L12-L16 HydrophobicContact CG-CD1 4.32Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.09Å; L12-F42 HydrophobicContact CD1-CE1 4.06Å; L12-F42 HydrophobicContact CD1-CZ 4.01Å; L12-V63 HydrophobicContact CD2-CG1 4.09Å; L12-W67 HydrophobicContact CD1-CD2 4.43Å; L12-W67 HydrophobicContact CD1-CE3 4.29Å; L12-W67 HydrophobicContact CD1-CH2 4.19Å; L12-W67 HydrophobicContact CD1-CZ2 4.38Å; L12-W67 HydrophobicContact CD1-CZ3 4.16Å; L12-W67 HydrophobicContact CD2-CD2 3.71Å; L12-W67 HydrophobicContact CD2-CE3 4.38Å; L12-W67 HydrophobicContact CD2-CG 3.95Å; L12-W67 HydrophobicContact CD2-CH2 4.36Å; L12-W67 HydrophobicContact CD2-CZ2 3.73Å; L12-W67 VanDerWaalsContact CD2-NE1 3.34Å; L12-M75 HydrophobicContact CD1-CB 4.41Å; L12-M75 HydrophobicContact CD1-CG 4.43Å
13	Q	93.3	Very high	88.5	Confident	85 Å²	85	75.5 Å²	75.5	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-46	172.9	-73.7	174.2	-5.8	0	0	111	K9 L10 V15 L16 E17	K9-Q13 WeakPolarHBondContact O-CG 3.49Å; K9-Q13 PolarHBondContact O-N 2.78Å; L10-Q13 WeakPolarHBondContact O-CB 3.41Å; L10-Q13 PolarHBondContact O-N 2.82Å; Q13-V15 PolarHBondContact O-N 2.96Å; Q13-L16 WeakPolarHBondContact O-CB 3.39Å; Q13-L16 PolarHBondContact O-N 2.78Å; Q13-E17 WeakPolarHBondContact O-CG 3.38Å; Q13-E17 PolarHBondContact O-N 3.26Å
14	D	95.2	Very high	90.2	Very high	105 Å²	105	68.2 Å²	68.2	56%	0.561	36%	0.359	S	S	*	.	H	α-helix	trans	-58	-35.5	175.2	-62.1	-24.1	0	0	0	112	L10 R11 L12	L10-D14 PolarHBondContact O-N 2.82Å; R11-D14 PolarHBondContact O-N 3.16Å; L12-D14 VanDerWaalsContact C-N 3.35Å
15	V	95.9	Very high	91.9	Very high	7 Å²	7	63.4 Å²	63.4	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-70.3	-41.8	175.6	177.3	0	0	0	0	111.2	R11 L12 Q13 E17 K18 N21 F42 M75 A76	R11-V15 WeakPolarHBondContact O-CG2 3.35Å; R11-V15 PolarHBondContact O-N 3.18Å; R11-V15 VanDerWaalsContact O-N 3.17Å; L12-V15 WeakPolarHBondContact O-CB 3.27Å; L12-V15 PolarHBondContact O-N 3.17Å; L12-V15 VanDerWaalsContact O-N 3.16Å; Q13-V15 PolarHBondContact O-N 2.96Å; V15-E17 VanDerWaalsContact C-N 3.27Å; V15-E17 PolarHBondContact O-N 2.74Å; V15-K18 VanDerWaalsContact O-CB 3.3Å; V15-K18 WeakPolarHBondContact O-CB 3.24Å; V15-K18 WeakPolarHBondContact O-CG 3.47Å; V15-K18 PolarHBondContact O-N 3.32Å; V15-K18 VanDerWaalsContact O-N 3.14Å; V15-N21 PolarHBondContact O-ND2 3.13Å; V15-F42 HydrophobicContact CG1-CE2 3.7Å; V15-F42 HydrophobicContact CG1-CZ 3.76Å; V15-M75 HydrophobicContact CG1-CB 4.22Å; V15-A76 HydrophobicContact CG2-CB 3.69Å
16	L	94.3	Very high	93.5	Very high	40 Å²	40	61.5 Å²	61.5	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-32	178	-76.8	160.6	0	0	0	112.8	L12 Q13 K18 N21 F42 V63	L12-L16 HydrophobicContact CG-CD1 4.32Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.09Å; Q13-L16 WeakPolarHBondContact O-CB 3.39Å; Q13-L16 PolarHBondContact O-N 2.78Å; L16-K18 PolarHBondContact O-N 2.82Å; L16-N21 WeakPolarHBondContact O-CB 3.42Å; L16-F42 HydrophobicContact CD2-CD1 3.4Å; L16-F42 HydrophobicContact CD2-CD2 4.37Å; L16-F42 HydrophobicContact CD2-CE1 3.38Å; L16-F42 HydrophobicContact CD2-CE2 4.36Å; L16-F42 HydrophobicContact CD2-CG 3.91Å; L16-F42 HydrophobicContact CD2-CZ 3.89Å; L16-F42 HydrophobicContact CG-CD1 4.37Å; L16-F42 HydrophobicContact CG-CE1 3.85Å; L16-F42 HydrophobicContact CG-CZ 4.07Å; L16-V63 HydrophobicContact CD1-CG1 3.48Å; L16-V63 VanDerWaalsContact CD1-CG1 3.48Å; L16-V63 HydrophobicContact CD1-CG2 4.48Å; L16-V63 HydrophobicContact CD2-CG2 4.45Å
17	E	94	Very high	94.6	Very high	160 Å²	160	57 Å²	57	75%	0.748	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-9.5	176.5	-69	-177.3	178.6	0	0	113.4	Q13 V15	Q13-E17 WeakPolarHBondContact O-CG 3.38Å; Q13-E17 PolarHBondContact O-N 3.26Å; V15-E17 VanDerWaalsContact C-N 3.27Å; V15-E17 PolarHBondContact O-N 2.74Å
18	K	94.2	Very high	95.1	Very high	93 Å²	93	57.1 Å²	57.1	40%	0.404	30%	0.302	S	S	.	.	S	Bend	trans	-66.3	139.4	175.5	-66.5	-177.9	-177.8	-180	0	111.1	V15 L16 G20 N21 A76	V15-K18 VanDerWaalsContact O-CB 3.3Å; V15-K18 WeakPolarHBondContact O-CB 3.24Å; V15-K18 WeakPolarHBondContact O-CG 3.47Å; V15-K18 PolarHBondContact O-N 3.32Å; V15-K18 VanDerWaalsContact O-N 3.14Å; L16-K18 PolarHBondContact O-N 2.82Å; K18-G20 PolarHBondContact O-N 3.25Å; K18-N21 WeakPolarHBondContact O-CB 3.48Å; K18-N21 PolarHBondContact O-N 3.27Å; K18-N21 VanDerWaalsContact O-N 3.11Å; K18-A76 PolarHBondContact NZ-O 2.87Å
19	P	93.4	Very high	95.4	Very high	123 Å²	123	58.4 Å²	58.4	80%	0.799	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	135.2	176.1	-26.4	34.1	0	0	0	113.3
20	G	92.6	Very high	95.7	Very high	29 Å²	29	57.8 Å²	57.8	30%	0.299	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-21	-174.6	0	0	0	0	0	114.2	K18 E22 N80	K18-G20 PolarHBondContact O-N 3.25Å; G20-E22 VanDerWaalsContact CA-OE2 3.31Å; G20-E22 WeakPolarHBondContact CA-OE2 3.3Å; G20-E22 PolarHBondContact N-OE2 2.9Å; G20-N80 WeakPolarHBondContact O-CB 3.24Å; G20-N80 PolarHBondContact O-ND2 3.23Å
21	N	97.3	Very high	95.9	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.027	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.2	-179.7	-66.1	-21.8	0	0	0	113.2	V15 L16 K18 M23 P32 F42 N80	V15-N21 PolarHBondContact O-ND2 3.13Å; L16-N21 WeakPolarHBondContact O-CB 3.42Å; K18-N21 WeakPolarHBondContact O-CB 3.48Å; K18-N21 PolarHBondContact O-N 3.27Å; K18-N21 VanDerWaalsContact O-N 3.11Å; N21-M23 PolarHBondContact O-N 3.37Å; N21-P32 WeakPolarHBondContact O-CG 3.31Å; N21-F42 HydrophobicContact CB-CD2 3.93Å; N21-F42 HydrophobicContact CB-CE2 4.32Å; N21-N80 WeakPolarHBondContact OD1-CB 3.43Å; N21-N80 PolarHBondContact OD1-N 2.91Å
22	E	95.4	Very high	95.9	Very high	97 Å²	97	56.7 Å²	56.7	45%	0.453	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.8	177.6	71	-75.7	173.7	0	0	114.1	G20 P30	G20-E22 VanDerWaalsContact CA-OE2 3.31Å; G20-E22 WeakPolarHBondContact CA-OE2 3.3Å; G20-E22 PolarHBondContact N-OE2 2.9Å; E22-P30 CarbonylContact O-C 3.51Å; E22-P30 VanDerWaalsContact O-O 3.12Å
23	M	97.4	Very high	96	Very high	89 Å²	89	59.4 Å²	59.4	44%	0.438	33%	0.327	S	S	.	.	S	Bend	trans	-130.7	144.7	177.7	-72.8	-179.2	-69.9	0	0	110.7	N21 A25 N29 N80	N21-M23 PolarHBondContact O-N 3.37Å; M23-A25 PolarHBondContact O-N 2.79Å; M23-N29 CarbonylContact C-O 3.54Å; M23-N29 WeakPolarHBondContact CA-O 3.38Å; M23-N80 PolarHBondContact O-ND2 3.35Å
24	C	98.6	Very high	96.3	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.027	32%	0.315	C	S	.	.			trans	-53.3	125.3	171.7	171.3	0	0	0	0	111.2	D26 G28 N29 P32 C44	C24-D26 PolarHBondContact O-N 2.93Å; C24-G28 WeakPolarHBondContact O-CA 3.37Å; C24-G28 PolarHBondContact O-N 2.68Å; C24-N29 HydrophobicContact CB-CB 4Å; C24-N29 WeakPolarHBondContact CB-O 3.25Å; C24-N29 PolarHBondContact N-O 3.16Å; C24-P32 HydrophobicContact CB-CB 4.47Å; C24-C44 HydrophobicContact CB-CB 4.04Å; C24-C44 PolarHBondContact SG-N 3.49Å
25	A	98.6	Very high	96.5	Very high	22 Å²	22	52.1 Å²	52.1	18%	0.182	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.9	-176.8	0	0	0	0	0	114.7	M23 V41 F42 V43 N80 K114	M23-A25 PolarHBondContact O-N 2.79Å; A25-V41 HydrophobicContact CB-CB 3.95Å; A25-V41 HydrophobicContact CB-CG1 4.2Å; A25-F42 WeakPolarHBondContact CB-O 3.42Å; A25-F42 PolarHBondContact N-O 2.79Å; A25-V43 HydrophobicContact CB-CG1 4.24Å; A25-N80 HydrophobicContact CB-CB 4.46Å; A25-K114 PolarHBondContact O-NZ 2.87Å
26	D	98.7	Very high	96.6	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.032	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-29.3	-171.6	-55.6	-43.9	0	0	0	114.8	C24 V43 C47 H51 W110 I111 K114 Y115	C24-D26 PolarHBondContact O-N 2.93Å; D26-V43 VanDerWaalsContact OD2-CG1 3.28Å; D26-V43 WeakPolarHBondContact OD2-CG1 3.31Å; D26-C47 HydrophobicContact CB-CB 4.5Å; D26-H51 IonicContact OD2-CD2 3.46Å; D26-H51 IonicContact OD2-CE1 3.55Å; D26-H51 IonicContact OD2-NE2 2.77Å; D26-H51 PolarHBondContact OD2-NE2 2.8Å; D26-W110 PolarHBondContact O-NE1 3.17Å; D26-I111 HydrophobicContact CB-CD1 4.17Å; D26-I111 HydrophobicContact CB-CG1 3.83Å; D26-K114 WeakPolarHBondContact OD1-CE 3.36Å; D26-K114 IonicContact OD1-NZ 3.99Å; D26-K114 PolarHBondContact OD1-NZ 3.26Å; D26-Y115 VanDerWaalsContact OD1-CE2 3.3Å; D26-Y115 WeakPolarHBondContact OD1-CE2 3.36Å; D26-Y115 PolarHBondContact OD1-OH 2.9Å
27	C	98.4	Very high	96.7	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.034	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	1.8	-174.1	72.7	0	0	0	0	114.3	N29 C44 C47 T99 H100 R107	C27-N29 PolarHBondContact O-N 2.69Å; C27-C44 VanDerWaalsContact SG-SG 3.68Å; C27-C47 PolarHBondContact SG-SG 3.06Å; C27-T99 CarbonylContact O-C 3.46Å; C27-T99 WeakPolarHBondContact O-CA 3.49Å; C27-H100 HydrophobicContact CB-CB 4.31Å; C27-H100 PolarHBondContact O-N 3.36Å; C27-R107 HydrophobicContact CB-CG 4.34Å
28	G	97.9	Very high	96.9	Very high	34 Å²	34	46 Å²	46	35%	0.351	26%	0.262	S	S	.	.			trans	65.8	18.3	178.2	0	0	0	0	0	114.6	C24	C24-G28 WeakPolarHBondContact O-CA 3.37Å; C24-G28 PolarHBondContact O-N 2.68Å
29	N	97.8	Very high	97.1	Very high	37 Å²	37	42 Å²	42	20%	0.198	25%	0.245	C	C	.	.			trans	-61	133.3	169.7	-172.2	-71.1	0	0	0	109.4	M23 C24 C27 E31 C44 H100	M23-N29 CarbonylContact C-O 3.54Å; M23-N29 WeakPolarHBondContact CA-O 3.38Å; C24-N29 HydrophobicContact CB-CB 4Å; C24-N29 WeakPolarHBondContact CB-O 3.25Å; C24-N29 PolarHBondContact N-O 3.16Å; C27-N29 PolarHBondContact O-N 2.69Å; N29-E31 PolarHBondContact O-N 2.85Å; N29-E31 PolarHBondContact OD1-N 3.07Å; N29-C44 HydrophobicContact CB-CB 3.91Å; N29-H100 HydrophobicContact CB-CB 3.87Å
30	P	96.4	Very high	97.3	Very high	84 Å²	84	36.1 Å²	36.1	55%	0.545	21%	0.207	S	C	.	.	S	Bend	trans	-74	-2.1	-174.7	31.8	-37.4	0	0	0	114.4	E22 P32	E22-P30 CarbonylContact O-C 3.51Å; E22-P30 VanDerWaalsContact O-O 3.12Å; P30-P32 VanDerWaalsContact C-CD 3.43Å; P30-P32 VanDerWaalsContact O-CD 3.32Å; P30-P32 WeakPolarHBondContact O-CD 3.42Å
31	E	93.9	Very high	97.6	Very high	144 Å²	144	34.8 Å²	34.8	67%	0.673	19%	0.193	S	C	*	.			trans	-119.9	77.1	-178.7	-64.8	173.9	-162	0	0	110.7	N29 D33 C44	N29-E31 PolarHBondContact O-N 2.85Å; N29-E31 PolarHBondContact OD1-N 3.07Å; E31-D33 PolarHBondContact O-N 3.33Å; E31-C44 WeakPolarHBondContact O-CB 3.26Å
32	P	96.4	Very high	97.7	Very high	17 Å²	17	34.5 Å²	34.5	11%	0.11	19%	0.192	C	C	.	.			trans	-81.7	88.9	173.6	32.3	-31.8	0	0	0	111.5	N21 C24 P30 F42 V43	N21-P32 WeakPolarHBondContact O-CG 3.31Å; C24-P32 HydrophobicContact CB-CB 4.47Å; P30-P32 VanDerWaalsContact C-CD 3.43Å; P30-P32 VanDerWaalsContact O-CD 3.32Å; P30-P32 WeakPolarHBondContact O-CD 3.42Å; P32-F42 HydrophobicContact CB-CB 4.04Å; P32-V43 CarbonylContact C-O 3.54Å; P32-V43 WeakPolarHBondContact CA-O 3.42Å
33	D	97.3	Very high	97.8	Very high	62 Å²	62	29.9 Å²	29.9	33%	0.332	17%	0.17	S	C	.	.			trans	-94.7	3.6	-177.6	64.7	-38	0	0	0	114.3	E31 V43 Q45 V63	E31-D33 PolarHBondContact O-N 3.33Å; D33-V43 PolarHBondContact N-O 2.93Å; D33-Q45 PolarHBondContact OD1-N 3.47Å; D33-V63 WeakPolarHBondContact O-CB 3.47Å; D33-V63 WeakPolarHBondContact O-CG2 3.29Å; D33-V63 PolarHBondContact O-N 2.76Å
34	W	98.6	Very high	97.9	Very high	37 Å²	37	25.9 Å²	25.9	14%	0.14	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	162.2	176.7	-70.1	71.4	0	0	0	111.2	F42 V43 Q45 V60 K61	W34-F42 CarbonylContact O-C 3.49Å; W34-F42 WeakPolarHBondContact O-CA 3.45Å; W34-V43 CarbonylContact C-O 3.48Å; W34-V43 WeakPolarHBondContact CA-O 3.38Å; W34-V43 HydrophobicContact CB-CG2 4Å; W34-V43 WeakPolarHBondContact CB-O 3.36Å; W34-V43 PolarHBondContact N-O 3.06Å; W34-V43 PolarHBondContact O-N 3.3Å; W34-Q45 VanDerWaalsContact CD1-CA 3.41Å; W34-V60 HydrophobicContact CE3-CB 4.25Å; W34-V60 HydrophobicContact CE3-CG2 4.21Å; W34-V60 HydrophobicContact CZ3-CG2 4.43Å; W34-K61 WeakPolarHBondContact CA-O 3.44Å
35	A	98.4	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.4	174.9	0	0	0	0	0	111.7	V41 F42 V60 K61 W67 M75	A35-V41 CarbonylContact C-O 3.46Å; A35-V41 WeakPolarHBondContact CA-O 3.39Å; A35-F42 HydrophobicContact CB-CD1 3.99Å; A35-F42 HydrophobicContact CB-CE1 4.22Å; A35-V60 CarbonylContact O-C 3.57Å; A35-V60 WeakPolarHBondContact O-CA 3.42Å; A35-K61 PolarHBondContact N-O 3.46Å; A35-K61 PolarHBondContact O-N 2.77Å; A35-W67 HydrophobicContact CB-CH2 3.56Å; A35-W67 HydrophobicContact CB-CZ2 4.09Å; A35-M75 HydrophobicContact CB-CE 3.79Å; A35-M75 HydrophobicContact CB-SD 4.17Å
36	S	98.5	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.3	166.7	179.5	0	0	0	0	110.3	T38 L39 G40 V41 S58 R59	S36-T38 PolarHBondContact O-N 2.91Å; S36-T38 PolarHBondContact OG-OG1 2.88Å; S36-L39 WeakPolarHBondContact OG-CB 3.44Å; S36-L39 PolarHBondContact OG-N 2.9Å; S36-G40 WeakPolarHBondContact O-CA 3.35Å; S36-G40 PolarHBondContact O-N 2.68Å; S36-V41 PolarHBondContact N-O 3.08Å; S36-S58 WeakPolarHBondContact CB-OG 3.49Å; S36-S58 PolarHBondContact OG-OG 2.81Å; S36-R59 CarbonylContact C-O 3.59Å; S36-R59 VanDerWaalsContact CA-O 3.29Å; S36-R59 WeakPolarHBondContact CA-O 3.5Å
37	L	97.4	Very high	97.8	Very high	16 Å²	16	32.2 Å²	32.2	8%	0.084	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2.2	-178.9	-57.2	-179.8	0	0	0	114.1	R59 K61 W67 E71 L74	L37-R59 PolarHBondContact N-O 3.35Å; L37-K61 HydrophobicContact CD1-CB 3.66Å; L37-K61 HydrophobicContact CD1-CD 4.06Å; L37-K61 HydrophobicContact CD1-CG 4.44Å; L37-K61 HydrophobicContact CD2-CB 4.27Å; L37-K61 HydrophobicContact CG-CB 3.97Å; L37-W67 HydrophobicContact CD2-CE3 4.12Å; L37-W67 HydrophobicContact CD2-CH2 3.52Å; L37-W67 HydrophobicContact CD2-CZ2 4.47Å; L37-W67 HydrophobicContact CD2-CZ3 3.3Å; L37-E71 HydrophobicContact CD1-CG 4.42Å; L37-E71 WeakPolarHBondContact CD1-OE1 3.41Å; L37-E71 HydrophobicContact CD2-CB 4.16Å; L37-E71 HydrophobicContact CD2-CG 4.26Å; L37-L74 WeakPolarHBondContact O-CD2 3.26Å
38	T	97.6	Very high	97.9	Very high	61 Å²	61	32 Å²	32	37%	0.374	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-32.5	175.1	50	0	0	0	0	111.8	S36 I57 S58 R59	S36-T38 PolarHBondContact O-N 2.91Å; S36-T38 PolarHBondContact OG-OG1 2.88Å; T38-I57 WeakPolarHBondContact CB-O 3.47Å; T38-I57 PolarHBondContact OG1-O 2.88Å; T38-S58 VanDerWaalsContact OG1-CA 3.26Å; T38-S58 WeakPolarHBondContact OG1-CA 3.43Å; T38-R59 HydrophobicContact CG2-CB 4.14Å; T38-R59 HydrophobicContact CG2-CG 4.26Å; T38-R59 PolarHBondContact OG1-N 3.48Å
39	L	98.3	Very high	97.9	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.052	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-20.9	178.2	-62.4	170.8	0	0	0	112.8	S36 V41 I57 Y87 Y115	S36-L39 WeakPolarHBondContact OG-CB 3.44Å; S36-L39 PolarHBondContact OG-N 2.9Å; L39-V41 HydrophobicContact CB-CG2 4.07Å; L39-I57 HydrophobicContact CD2-CG2 4.05Å; L39-Y87 HydrophobicContact CD2-CE2 4.46Å; L39-Y115 HydrophobicContact CD1-CD1 3.94Å; L39-Y115 HydrophobicContact CD1-CD2 3.84Å; L39-Y115 HydrophobicContact CD1-CE1 4.36Å; L39-Y115 HydrophobicContact CD1-CE2 4.27Å; L39-Y115 HydrophobicContact CD1-CG 3.65Å; L39-Y115 HydrophobicContact CD2-CD1 4.15Å; L39-Y115 HydrophobicContact CD2-CG 4.33Å
40	G	98.1	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	33.2	-179.2	0	0	0	0	0	113.8	S36 M78 G79	S36-G40 WeakPolarHBondContact O-CA 3.35Å; S36-G40 PolarHBondContact O-N 2.68Å; G40-M78 WeakPolarHBondContact O-CB 3.34Å; G40-G79 CarbonylContact O-C 3.51Å; G40-G79 VanDerWaalsContact O-CA 3.25Å; G40-G79 WeakPolarHBondContact O-CA 3.44Å; G40-G79 PolarHBondContact O-N 3.38Å
41	V	98.7	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.1	-177.8	-66.5	0	0	0	0	112.5	A25 A35 S36 L39 V43 N80 A83	A25-V41 HydrophobicContact CB-CB 3.95Å; A25-V41 HydrophobicContact CB-CG1 4.2Å; A35-V41 CarbonylContact C-O 3.46Å; A35-V41 WeakPolarHBondContact CA-O 3.39Å; S36-V41 PolarHBondContact N-O 3.08Å; L39-V41 HydrophobicContact CB-CG2 4.07Å; V41-V43 HydrophobicContact CB-CG1 4.48Å; V41-V43 HydrophobicContact CG2-CG1 3.96Å; V41-N80 WeakPolarHBondContact CA-OD1 3.42Å; V41-A83 HydrophobicContact CG1-CB 3.2Å
42	F	98.7	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.8	167.7	-62.8	-80.5	0	0	0	110.7	L12 V15 L16 N21 A25 P32 W34 A35 V63 M75 N80	L12-F42 HydrophobicContact CD1-CE1 4.06Å; L12-F42 HydrophobicContact CD1-CZ 4.01Å; V15-F42 HydrophobicContact CG1-CE2 3.7Å; V15-F42 HydrophobicContact CG1-CZ 3.76Å; L16-F42 HydrophobicContact CD2-CD1 3.4Å; L16-F42 HydrophobicContact CD2-CD2 4.37Å; L16-F42 HydrophobicContact CD2-CE1 3.38Å; L16-F42 HydrophobicContact CD2-CE2 4.36Å; L16-F42 HydrophobicContact CD2-CG 3.91Å; L16-F42 HydrophobicContact CD2-CZ 3.89Å; L16-F42 HydrophobicContact CG-CD1 4.37Å; L16-F42 HydrophobicContact CG-CE1 3.85Å; L16-F42 HydrophobicContact CG-CZ 4.07Å; N21-F42 HydrophobicContact CB-CD2 3.93Å; N21-F42 HydrophobicContact CB-CE2 4.32Å; A25-F42 WeakPolarHBondContact CB-O 3.42Å; A25-F42 PolarHBondContact N-O 2.79Å; P32-F42 HydrophobicContact CB-CB 4.04Å; W34-F42 CarbonylContact O-C 3.49Å; W34-F42 WeakPolarHBondContact O-CA 3.45Å; A35-F42 HydrophobicContact CB-CD1 3.99Å; A35-F42 HydrophobicContact CB-CE1 4.22Å; F42-V63 HydrophobicContact CD1-CG2 4.21Å; F42-V63 HydrophobicContact CE1-CG2 4.34Å; F42-M75 HydrophobicContact CD1-CE 3.83Å; F42-M75 HydrophobicContact CD2-CE 3.65Å; F42-M75 HydrophobicContact CE1-CE 3.6Å; F42-M75 HydrophobicContact CE2-CB 4.45Å; F42-M75 HydrophobicContact CE2-CE 3.4Å; F42-M75 VanDerWaalsContact CE2-CE 3.4Å; F42-M75 HydrophobicContact CG-CE 3.87Å; F42-M75 HydrophobicContact CZ-CB 4.05Å; F42-M75 HydrophobicContact CZ-CE 3.39Å; F42-M75 HydrophobicContact CZ-CG 4.32Å; F42-N80 PolarHBondContact N-OD1 2.94Å; F42-N80 PolarHBondContact O-ND2 3.42Å; F42-N80 VanDerWaalsContact O-ND2 3.15Å; F42-N80 PolarHBondContact O-OD1 2.88Å
43	V	98.8	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.5	-173.9	-61	0	0	0	0	110	A25 D26 P32 D33 W34 V41 C47	A25-V43 HydrophobicContact CB-CG1 4.24Å; D26-V43 VanDerWaalsContact OD2-CG1 3.28Å; D26-V43 WeakPolarHBondContact OD2-CG1 3.31Å; P32-V43 CarbonylContact C-O 3.54Å; P32-V43 WeakPolarHBondContact CA-O 3.42Å; D33-V43 PolarHBondContact N-O 2.93Å; W34-V43 CarbonylContact C-O 3.48Å; W34-V43 WeakPolarHBondContact CA-O 3.38Å; W34-V43 HydrophobicContact CB-CG2 4Å; W34-V43 WeakPolarHBondContact CB-O 3.36Å; W34-V43 PolarHBondContact N-O 3.06Å; W34-V43 PolarHBondContact O-N 3.3Å; V41-V43 HydrophobicContact CB-CG1 4.48Å; V41-V43 HydrophobicContact CG2-CG1 3.96Å; V43-C47 HydrophobicContact CB-CB 4.08Å
44	C	98.6	Very high	98.2	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.034	15%	0.148	C	C	.	.			trans	-75.1	162.5	173.3	68.1	0	0	0	0	111.6	C24 C27 N29 E31 A46 C47 S48	C24-C44 HydrophobicContact CB-CB 4.04Å; C24-C44 PolarHBondContact SG-N 3.49Å; C27-C44 VanDerWaalsContact SG-SG 3.68Å; N29-C44 HydrophobicContact CB-CB 3.91Å; E31-C44 WeakPolarHBondContact O-CB 3.26Å; C44-A46 PolarHBondContact O-N 3.28Å; C44-A46 VanDerWaalsContact O-N 3.15Å; C44-C47 PolarHBondContact O-N 2.93Å; C44-S48 PolarHBondContact O-N 3.04Å
45	Q	98.1	Very high	98.1	Very high	118 Å²	118	30.8 Å²	30.8	55%	0.551	17%	0.168	S	C	*	.	H	α-helix	trans	-47.4	-43.8	175.3	-170.5	-176.5	30	0	0	113.6	D33 W34 C47 S48 L49	D33-Q45 PolarHBondContact OD1-N 3.47Å; W34-Q45 VanDerWaalsContact CD1-CA 3.41Å; Q45-C47 VanDerWaalsContact C-N 3.33Å; Q45-C47 PolarHBondContact O-N 3.08Å; Q45-S48 PolarHBondContact O-N 2.63Å; Q45-S48 PolarHBondContact O-OG 2.97Å; Q45-L49 PolarHBondContact O-N 3Å
46	A	98.3	Very high	98	Very high	47 Å²	47	37.4 Å²	37.4	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-65.3	-35.4	-179.3	0	0	0	0	0	112.9	C44	C44-A46 PolarHBondContact O-N 3.28Å; C44-A46 VanDerWaalsContact O-N 3.15Å
47	C	98.8	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-79.6	-32	176.4	-68.4	0	0	0	0	111.5	D26 C27 V43 C44 Q45 L49 L50 H51 I111	D26-C47 HydrophobicContact CB-CB 4.5Å; C27-C47 PolarHBondContact SG-SG 3.06Å; V43-C47 HydrophobicContact CB-CB 4.08Å; C44-C47 PolarHBondContact O-N 2.93Å; Q45-C47 VanDerWaalsContact C-N 3.33Å; Q45-C47 PolarHBondContact O-N 3.08Å; C47-L49 PolarHBondContact O-N 2.75Å; C47-L50 WeakPolarHBondContact O-CA 3.36Å; C47-L50 WeakPolarHBondContact O-CB 3.49Å; C47-L50 PolarHBondContact O-N 3.34Å; C47-H51 PolarHBondContact O-CD2 3.18Å; C47-H51 VanDerWaalsContact O-CD2 3.3Å; C47-H51 PolarHBondContact O-N 3.33Å; C47-I111 HydrophobicContact CB-CD1 4.27Å
48	S	98.6	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-36.2	174.3	87.1	0	0	0	0	112	C44 Q45 L50 H51 R52	C44-S48 PolarHBondContact O-N 3.04Å; Q45-S48 PolarHBondContact O-N 2.63Å; Q45-S48 PolarHBondContact O-OG 2.97Å; S48-L50 VanDerWaalsContact C-N 3.32Å; S48-L50 PolarHBondContact O-N 3.24Å; S48-H51 PolarHBondContact O-N 3.01Å; S48-R52 WeakPolarHBondContact O-CG 3.38Å; S48-R52 PolarHBondContact O-N 2.95Å; S48-R52 VanDerWaalsContact O-N 3.12Å
49	L	98.3	Very high	98.1	Very high	108 Å²	108	43 Å²	43	57%	0.565	22%	0.215	S	C	*	.	H	α-helix	trans	-63.4	-34.1	172.1	-64.7	177.2	0	0	0	113.3	Q45 C47	Q45-L49 PolarHBondContact O-N 3Å; C47-L49 PolarHBondContact O-N 2.75Å
50	L	98.4	Very high	98.1	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-74.2	-38.8	175.7	-58.2	178.4	0	0	0	111.2	C47 S48 R52 S53 K104 R107 E108 I111	C47-L50 WeakPolarHBondContact O-CA 3.36Å; C47-L50 WeakPolarHBondContact O-CB 3.49Å; C47-L50 PolarHBondContact O-N 3.34Å; S48-L50 VanDerWaalsContact C-N 3.32Å; S48-L50 PolarHBondContact O-N 3.24Å; L50-R52 PolarHBondContact O-N 3.41Å; L50-S53 VanDerWaalsContact O-CB 3.31Å; L50-S53 WeakPolarHBondContact O-CB 3.22Å; L50-S53 PolarHBondContact O-N 3.07Å; L50-S53 PolarHBondContact O-OG 3.46Å; L50-K104 HydrophobicContact CD2-CD 4.34Å; L50-K104 HydrophobicContact CD2-CG 3.94Å; L50-R107 HydrophobicContact CD1-CB 3.78Å; L50-E108 HydrophobicContact CD1-CB 4.32Å; L50-E108 HydrophobicContact CD2-CB 4.21Å; L50-E108 HydrophobicContact CD2-CG 4.44Å; L50-I111 HydrophobicContact CB-CD1 3.63Å; L50-I111 HydrophobicContact CD1-CD1 3.78Å; L50-I111 HydrophobicContact CG-CD1 4.34Å
51	H	98.7	Very high	98	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-34.2	173.3	-85.7	-106.4	0	0	0	112.7	D26 C47 S48 S53 I54 S58 V60 Y115	D26-H51 IonicContact OD2-CD2 3.46Å; D26-H51 IonicContact OD2-CE1 3.55Å; D26-H51 IonicContact OD2-NE2 2.77Å; D26-H51 PolarHBondContact OD2-NE2 2.8Å; C47-H51 PolarHBondContact O-CD2 3.18Å; C47-H51 VanDerWaalsContact O-CD2 3.3Å; C47-H51 PolarHBondContact O-N 3.33Å; S48-H51 PolarHBondContact O-N 3.01Å; H51-S53 PolarHBondContact O-N 3.21Å; H51-S53 VanDerWaalsContact O-N 3.12Å; H51-I54 WeakPolarHBondContact O-CG1 3.36Å; H51-I54 PolarHBondContact O-N 2.79Å; H51-S58 VanDerWaalsContact ND1-CB 3.33Å; H51-S58 WeakPolarHBondContact ND1-CB 3.32Å; H51-S58 PolarHBondContact ND1-OG 3.16Å; H51-V60 HydrophobicContact CB-CG1 3.55Å; H51-Y115 AromaticContact CE1-CD2 3.81Å; H51-Y115 AromaticContact CE1-CE2 3.56Å; H51-Y115 AromaticContact NE2-CE2 3.71Å
52	R	97.9	Very high	98	Very high	133 Å²	133	46.6 Å²	46.6	50%	0.502	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.9	173.8	-68.6	172.5	-170.1	-117.6	2.7	113.7	S48 L50 I54 V60	S48-R52 WeakPolarHBondContact O-CG 3.38Å; S48-R52 PolarHBondContact O-N 2.95Å; S48-R52 VanDerWaalsContact O-N 3.12Å; L50-R52 PolarHBondContact O-N 3.41Å; R52-I54 VanDerWaalsContact C-N 3.3Å; R52-V60 HydrophobicContact CG-CG2 3.73Å
53	S	96.3	Very high	97.9	Very high	50 Å²	50	47.5 Å²	47.5	35%	0.35	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.8	175	78.3	0	0	0	0	114.3	L50 H51 P55 R112	L50-S53 VanDerWaalsContact O-CB 3.31Å; L50-S53 WeakPolarHBondContact O-CB 3.22Å; L50-S53 PolarHBondContact O-N 3.07Å; L50-S53 PolarHBondContact O-OG 3.46Å; H51-S53 PolarHBondContact O-N 3.21Å; H51-S53 VanDerWaalsContact O-N 3.12Å; S53-P55 VanDerWaalsContact C-CD 3.42Å; S53-R112 PolarHBondContact O-NH2 2.66Å; S53-R112 PolarHBondContact OG-NH2 3.38Å
54	I	97.4	Very high	97.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-127.3	56.9	172.7	52.7	171.6	0	0	0	110.7	H51 R52 H56 I57 S58 I111 R112 E116	H51-I54 WeakPolarHBondContact O-CG1 3.36Å; H51-I54 PolarHBondContact O-N 2.79Å; R52-I54 VanDerWaalsContact C-N 3.3Å; I54-H56 PolarHBondContact O-N 3.43Å; I54-H56 VanDerWaalsContact O-N 3.08Å; I54-I57 HydrophobicContact CB-CB 4.34Å; I54-I57 HydrophobicContact CD1-CB 4.27Å; I54-I57 HydrophobicContact CD1-CG2 4.34Å; I54-I57 HydrophobicContact CG1-CB 4.5Å; I54-I57 PolarHBondContact O-N 3.25Å; I54-S58 PolarHBondContact O-N 2.76Å; I54-I111 HydrophobicContact CD1-CG2 3.9Å; I54-R112 HydrophobicContact CG2-CG 4.33Å; I54-E116 HydrophobicContact CG2-CB 4.47Å; I54-E116 WeakPolarHBondContact CG2-OE1 3.35Å
55	P	96.9	Very high	97.5	Very high	87 Å²	87	58.1 Å²	58.1	57%	0.565	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.8	-167.8	28.3	-36.8	0	0	0	114.2	S53 I57	S53-P55 VanDerWaalsContact C-CD 3.42Å; P55-I57 VanDerWaalsContact C-N 3.3Å
56	H	96.8	Very high	97.3	Very high	138 Å²	138	57.9 Å²	57.9	64%	0.639	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.8	175.2	62.2	-79.5	0	0	0	113.1	I54 E116	I54-H56 PolarHBondContact O-N 3.43Å; I54-H56 VanDerWaalsContact O-N 3.08Å; H56-E116 IonicContact CE1-OE1 3.75Å
57	I	97.9	Very high	97.1	Very high	49 Å²	49	56.5 Å²	56.5	25%	0.251	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-45	177.1	-57.1	-57.4	0	0	0	110.7	T38 L39 I54 P55 Y115	T38-I57 WeakPolarHBondContact CB-O 3.47Å; T38-I57 PolarHBondContact OG1-O 2.88Å; L39-I57 HydrophobicContact CD2-CG2 4.05Å; I54-I57 HydrophobicContact CB-CB 4.34Å; I54-I57 HydrophobicContact CD1-CB 4.27Å; I54-I57 HydrophobicContact CD1-CG2 4.34Å; I54-I57 HydrophobicContact CG1-CB 4.5Å; I54-I57 PolarHBondContact O-N 3.25Å; P55-I57 VanDerWaalsContact C-N 3.3Å; I57-Y115 WeakPolarHBondContact CG2-O 3.47Å
58	S	98.3	Very high	97	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.021	31%	0.311	C	S	.	.			trans	-123	123.5	-172	-172.5	0	0	0	0	113.1	S36 T38 H51 I54	S36-S58 WeakPolarHBondContact CB-OG 3.49Å; S36-S58 PolarHBondContact OG-OG 2.81Å; T38-S58 VanDerWaalsContact OG1-CA 3.26Å; T38-S58 WeakPolarHBondContact OG1-CA 3.43Å; H51-S58 VanDerWaalsContact ND1-CB 3.33Å; H51-S58 WeakPolarHBondContact ND1-CB 3.32Å; H51-S58 PolarHBondContact ND1-OG 3.16Å; I54-S58 PolarHBondContact O-N 2.76Å
59	R	98.1	Very high	96.9	Very high	144 Å²	144	66 Å²	66	54%	0.543	33%	0.331	S	S	.	.			trans	-108.6	125	165.9	-72.7	170.3	47	-135.9	-8.2	109.7	S36 L37 T38	S36-R59 CarbonylContact C-O 3.59Å; S36-R59 VanDerWaalsContact CA-O 3.29Å; S36-R59 WeakPolarHBondContact CA-O 3.5Å; L37-R59 PolarHBondContact N-O 3.35Å; T38-R59 HydrophobicContact CG2-CB 4.14Å; T38-R59 HydrophobicContact CG2-CG 4.26Å; T38-R59 PolarHBondContact OG1-N 3.48Å
60	V	98.2	Very high	96.8	Very high	28 Å²	28	64.3 Å²	64.3	17%	0.17	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.9	-176.5	-62.1	0	0	0	0	112.9	W34 A35 H51 R52	W34-V60 HydrophobicContact CE3-CB 4.25Å; W34-V60 HydrophobicContact CE3-CG2 4.21Å; W34-V60 HydrophobicContact CZ3-CG2 4.43Å; A35-V60 CarbonylContact O-C 3.57Å; A35-V60 WeakPolarHBondContact O-CA 3.42Å; H51-V60 HydrophobicContact CB-CG1 3.55Å; R52-V60 HydrophobicContact CG-CG2 3.73Å
61	K	97.3	Very high	96.7	Very high	38 Å²	38	64.7 Å²	64.7	17%	0.165	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.5	176.5	-179.5	-178.8	-87.4	-177.2	0	109.4	W34 A35 L37 D65 T66 W67 E71	W34-K61 WeakPolarHBondContact CA-O 3.44Å; A35-K61 PolarHBondContact N-O 3.46Å; A35-K61 PolarHBondContact O-N 2.77Å; L37-K61 HydrophobicContact CD1-CB 3.66Å; L37-K61 HydrophobicContact CD1-CD 4.06Å; L37-K61 HydrophobicContact CD1-CG 4.44Å; L37-K61 HydrophobicContact CD2-CB 4.27Å; L37-K61 HydrophobicContact CG-CB 3.97Å; K61-D65 HydrophobicContact CD-CB 3.97Å; K61-D65 HydrophobicContact CG-CB 3.71Å; K61-D65 WeakPolarHBondContact CG-OD2 3.06Å; K61-T66 WeakPolarHBondContact CE-O 3.41Å; K61-T66 PolarHBondContact NZ-O 2.9Å; K61-W67 HydrophobicContact CD-CD2 4.29Å; K61-W67 HydrophobicContact CD-CZ2 4.36Å; K61-E71 IonicContact NZ-OE1 2.63Å; K61-E71 PolarHBondContact NZ-OE1 3.03Å; K61-E71 IonicContact NZ-OE2 3.85Å; K61-E71 PolarHBondContact NZ-OE2 3.28Å
62	S	97.6	Very high	96.7	Very high	18 Å²	18	64.8 Å²	64.8	13%	0.126	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.1	174.1	175.9	0	0	0	0	109.4	Q64 D65 W67	S62-Q64 PolarHBondContact O-N 2.66Å; S62-Q64 VanDerWaalsContact O-N 3.16Å; S62-Q64 PolarHBondContact OG-N 2.76Å; S62-D65 VanDerWaalsContact CB-OD2 3.28Å; S62-D65 WeakPolarHBondContact CB-OD2 3.42Å; S62-D65 PolarHBondContact N-OD2 3.04Å; S62-D65 WeakPolarHBondContact O-CB 3.32Å; S62-D65 PolarHBondContact O-N 3.42Å; S62-D65 VanDerWaalsContact O-N 3.1Å; S62-W67 PolarHBondContact O-NE1 2.92Å
63	V	95.9	Very high	96.6	Very high	20 Å²	20	63.7 Å²	63.7	12%	0.121	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.5	172.3	167.7	0	0	0	0	111.5	L12 L16 D33 F42 W67	L12-V63 HydrophobicContact CD2-CG1 4.09Å; L16-V63 HydrophobicContact CD1-CG1 3.48Å; L16-V63 VanDerWaalsContact CD1-CG1 3.48Å; L16-V63 HydrophobicContact CD1-CG2 4.48Å; L16-V63 HydrophobicContact CD2-CG2 4.45Å; D33-V63 WeakPolarHBondContact O-CB 3.47Å; D33-V63 WeakPolarHBondContact O-CG2 3.29Å; D33-V63 PolarHBondContact O-N 2.76Å; F42-V63 HydrophobicContact CD1-CG2 4.21Å; F42-V63 HydrophobicContact CE1-CG2 4.34Å; V63-W67 PolarHBondContact O-NE1 3.29Å
64	Q	94.1	Very high	96.7	Very high	144 Å²	144	63.9 Å²	63.9	67%	0.673	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.2	179.3	-57.6	-60.1	-25.5	0	0	114.6	S62	S62-Q64 PolarHBondContact O-N 2.66Å; S62-Q64 VanDerWaalsContact O-N 3.16Å; S62-Q64 PolarHBondContact OG-N 2.76Å
65	D	94.9	Very high	96.7	Very high	83 Å²	83	64 Å²	64	44%	0.444	33%	0.328	S	S	.	.	S	Bend	trans	-72.7	177.8	178.1	-68.8	-29.2	0	0	0	111.3	K61 S62 W67	K61-D65 HydrophobicContact CD-CB 3.97Å; K61-D65 HydrophobicContact CG-CB 3.71Å; K61-D65 WeakPolarHBondContact CG-OD2 3.06Å; S62-D65 VanDerWaalsContact CB-OD2 3.28Å; S62-D65 WeakPolarHBondContact CB-OD2 3.42Å; S62-D65 PolarHBondContact N-OD2 3.04Å; S62-D65 WeakPolarHBondContact O-CB 3.32Å; S62-D65 PolarHBondContact O-N 3.42Å; S62-D65 VanDerWaalsContact O-N 3.1Å; D65-W67 PolarHBondContact O-NE1 3.28Å
66	T	93.8	Very high	96.7	Very high	113 Å²	113	61.8 Å²	61.8	69%	0.693	32%	0.317	S	S	*	.			trans	-76.6	139.5	171.4	51.3	0	0	0	0	111.3	K61	K61-T66 WeakPolarHBondContact CE-O 3.41Å; K61-T66 PolarHBondContact NZ-O 2.9Å
67	W	95.6	Very high	96.7	Very high	18 Å²	18	58.9 Å²	58.9	7%	0.068	32%	0.317	C	S	.	.			trans	-119.7	132.6	-175.2	-73.2	81.5	0	0	0	112.3	N8 L12 A35 L37 K61 S62 V63 D65 E71 V72 M75	N8-W67 HydrophobicContact CB-CB 4.47Å; N8-W67 PolarHBondContact ND2-O 2.72Å; N8-W67 VanDerWaalsContact ND2-O 3.12Å; L12-W67 HydrophobicContact CD1-CD2 4.43Å; L12-W67 HydrophobicContact CD1-CE3 4.29Å; L12-W67 HydrophobicContact CD1-CH2 4.19Å; L12-W67 HydrophobicContact CD1-CZ2 4.38Å; L12-W67 HydrophobicContact CD1-CZ3 4.16Å; L12-W67 HydrophobicContact CD2-CD2 3.71Å; L12-W67 HydrophobicContact CD2-CE3 4.38Å; L12-W67 HydrophobicContact CD2-CG 3.95Å; L12-W67 HydrophobicContact CD2-CH2 4.36Å; L12-W67 HydrophobicContact CD2-CZ2 3.73Å; L12-W67 VanDerWaalsContact CD2-NE1 3.34Å; A35-W67 HydrophobicContact CB-CH2 3.56Å; A35-W67 HydrophobicContact CB-CZ2 4.09Å; L37-W67 HydrophobicContact CD2-CE3 4.12Å; L37-W67 HydrophobicContact CD2-CH2 3.52Å; L37-W67 HydrophobicContact CD2-CZ2 4.47Å; L37-W67 HydrophobicContact CD2-CZ3 3.3Å; K61-W67 HydrophobicContact CD-CD2 4.29Å; K61-W67 HydrophobicContact CD-CZ2 4.36Å; S62-W67 PolarHBondContact O-NE1 2.92Å; V63-W67 PolarHBondContact O-NE1 3.29Å; D65-W67 PolarHBondContact O-NE1 3.28Å; W67-E71 WeakPolarHBondContact CA-OE2 3.49Å; W67-E71 HydrophobicContact CE3-CB 3.57Å; W67-E71 HydrophobicContact CZ3-CB 3.95Å; W67-V72 HydrophobicContact CB-CG2 3.88Å; W67-V72 HydrophobicContact CE3-CG2 4.33Å; W67-M75 HydrophobicContact CH2-CG 4.05Å; W67-M75 HydrophobicContact CZ3-CG 3.66Å
68	E	95.8	Very high	96.7	Very high	124 Å²	124	58.9 Å²	58.9	58%	0.579	32%	0.317	S	S	*	.			trans	-82.9	154.1	171.9	-60.6	179.6	-175	0	0	110.7	S70 E71 V72	E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 2.8Å; E68-E71 HydrophobicContact CB-CG 4.07Å; E68-E71 PolarHBondContact N-OE2 3.5Å; E68-E71 WeakPolarHBondContact O-CB 2.86Å; E68-E71 PolarHBondContact O-N 3.15Å; E68-V72 PolarHBondContact O-N 3.43Å; E68-V72 VanDerWaalsContact O-N 3.12Å
69	D	96.1	Very high	96.6	Very high	77 Å²	77	59 Å²	59	41%	0.412	32%	0.318	S	S	.	.	H	α-helix	trans	-54.2	-44.8	179.9	-72.2	-27.8	0	0	0	112.3	N8 R11 E71 V72 E73	N8-D69 PolarHBondContact ND2-N 2.88Å; N8-D69 PolarHBondContact ND2-OD1 3.47Å; N8-D69 PolarHBondContact OD1-OD1 3.47Å; R11-D69 IonicContact NH1-OD1 3.76Å; R11-D69 PolarHBondContact NH1-OD1 2.94Å; R11-D69 VanDerWaalsContact NH1-OD1 3.09Å; D69-E71 VanDerWaalsContact C-N 3.28Å; D69-E71 PolarHBondContact O-N 3.44Å; D69-V72 PolarHBondContact O-N 2.97Å; D69-E73 WeakPolarHBondContact O-CB 3.05Å; D69-E73 VanDerWaalsContact O-CG 3.32Å; D69-E73 WeakPolarHBondContact O-CG 3.28Å; D69-E73 PolarHBondContact O-N 3.17Å
70	S	96.3	Very high	96.6	Very high	72 Å²	72	52.6 Å²	52.6	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-32.1	179.8	69.7	0	0	0	0	113.1	E68 L74	E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 2.8Å; S70-L74 WeakPolarHBondContact O-CB 3.36Å; S70-L74 PolarHBondContact O-N 3.21Å
71	E	97.4	Very high	96.6	Very high	19 Å²	19	53.3 Å²	53.3	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-70.9	-44.5	176.7	-63.8	174.4	146.1	0	0	110.2	L37 K61 W67 E68 D69 L74 M75	L37-E71 HydrophobicContact CD1-CG 4.42Å; L37-E71 WeakPolarHBondContact CD1-OE1 3.41Å; L37-E71 HydrophobicContact CD2-CB 4.16Å; L37-E71 HydrophobicContact CD2-CG 4.26Å; K61-E71 IonicContact NZ-OE1 2.63Å; K61-E71 PolarHBondContact NZ-OE1 3.03Å; K61-E71 IonicContact NZ-OE2 3.85Å; K61-E71 PolarHBondContact NZ-OE2 3.28Å; W67-E71 WeakPolarHBondContact CA-OE2 3.49Å; W67-E71 HydrophobicContact CE3-CB 3.57Å; W67-E71 HydrophobicContact CZ3-CB 3.95Å; E68-E71 HydrophobicContact CB-CG 4.07Å; E68-E71 PolarHBondContact N-OE2 3.5Å; E68-E71 WeakPolarHBondContact O-CB 2.86Å; E68-E71 PolarHBondContact O-N 3.15Å; D69-E71 VanDerWaalsContact C-N 3.28Å; D69-E71 PolarHBondContact O-N 3.44Å; E71-L74 PolarHBondContact O-N 2.97Å; E71-M75 WeakPolarHBondContact O-CG 3.29Å; E71-M75 PolarHBondContact O-N 3.35Å; E71-M75 VanDerWaalsContact O-N 3.07Å
72	V	97.1	Very high	96.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-41	177	-178.7	0	0	0	0	111.1	N8 R11 W67 E68 D69 M75 A76	N8-V72 HydrophobicContact CB-CG2 4.06Å; R11-V72 HydrophobicContact CB-CG1 3.73Å; W67-V72 HydrophobicContact CB-CG2 3.88Å; W67-V72 HydrophobicContact CE3-CG2 4.33Å; E68-V72 PolarHBondContact O-N 3.43Å; E68-V72 VanDerWaalsContact O-N 3.12Å; D69-V72 PolarHBondContact O-N 2.97Å; V72-M75 PolarHBondContact O-N 2.96Å; V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 3.42Å
73	E	97.1	Very high	96.6	Very high	110 Å²	110	52.8 Å²	52.8	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176.1	-75.6	171.4	-172.3	0	0	112.3	R11 D69 M75 A76 A77	R11-E73 IonicContact NH2-OE1 2.77Å; D69-E73 WeakPolarHBondContact O-CB 3.05Å; D69-E73 VanDerWaalsContact O-CG 3.32Å; D69-E73 WeakPolarHBondContact O-CG 3.28Å; D69-E73 PolarHBondContact O-N 3.17Å; E73-M75 PolarHBondContact O-N 3.27Å; E73-A76 PolarHBondContact O-N 2.86Å; E73-A77 WeakPolarHBondContact O-CB 3.32Å; E73-A77 PolarHBondContact O-N 3.3Å
74	L	97.4	Very high	96.7	Very high	55 Å²	55	57.8 Å²	57.8	29%	0.288	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-48.1	174.1	175.1	66.6	0	0	0	111.3	L37 S70 E71 A76 A77 M78	L37-L74 WeakPolarHBondContact O-CD2 3.26Å; S70-L74 WeakPolarHBondContact O-CB 3.36Å; S70-L74 PolarHBondContact O-N 3.21Å; E71-L74 PolarHBondContact O-N 2.97Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 2.94Å; L74-A77 PolarHBondContact O-N 3.07Å; L74-M78 HydrophobicContact CD1-CG 3.88Å; L74-M78 WeakPolarHBondContact O-CB 3.5Å; L74-M78 PolarHBondContact O-N 3.3Å
75	M	98.2	Very high	96.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-36.8	179.3	-64.1	-50.2	-62.9	0	0	111.8	L12 V15 A35 F42 W67 E71 V72 E73 G79	L12-M75 HydrophobicContact CD1-CB 4.41Å; L12-M75 HydrophobicContact CD1-CG 4.43Å; V15-M75 HydrophobicContact CG1-CB 4.22Å; A35-M75 HydrophobicContact CB-CE 3.79Å; A35-M75 HydrophobicContact CB-SD 4.17Å; F42-M75 HydrophobicContact CD1-CE 3.83Å; F42-M75 HydrophobicContact CD2-CE 3.65Å; F42-M75 HydrophobicContact CE1-CE 3.6Å; F42-M75 HydrophobicContact CE2-CB 4.45Å; F42-M75 HydrophobicContact CE2-CE 3.4Å; F42-M75 VanDerWaalsContact CE2-CE 3.4Å; F42-M75 HydrophobicContact CG-CE 3.87Å; F42-M75 HydrophobicContact CZ-CB 4.05Å; F42-M75 HydrophobicContact CZ-CE 3.39Å; F42-M75 HydrophobicContact CZ-CG 4.32Å; W67-M75 HydrophobicContact CH2-CG 4.05Å; W67-M75 HydrophobicContact CZ3-CG 3.66Å; E71-M75 WeakPolarHBondContact O-CG 3.29Å; E71-M75 PolarHBondContact O-N 3.35Å; E71-M75 VanDerWaalsContact O-N 3.07Å; V72-M75 PolarHBondContact O-N 2.96Å; E73-M75 PolarHBondContact O-N 3.27Å; M75-G79 PolarHBondContact O-N 3.06Å
76	A	96.6	Very high	97	Very high	41 Å²	41	54.3 Å²	54.3	34%	0.339	32%	0.323	S	S	.	.	H	α-helix	trans	-68.7	-35.3	177.3	0	0	0	0	0	113	V15 K18 V72 E73 L74	V15-A76 HydrophobicContact CG2-CB 3.69Å; K18-A76 PolarHBondContact NZ-O 2.87Å; V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 3.42Å; E73-A76 PolarHBondContact O-N 2.86Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 2.94Å
77	A	96.4	Very high	97.2	Very high	78 Å²	78	49.8 Å²	49.8	65%	0.645	29%	0.294	S	S	*	.	H	α-helix	trans	-79.7	-35.8	179.7	0	0	0	0	0	113.1	E73 L74	E73-A77 WeakPolarHBondContact O-CB 3.32Å; E73-A77 PolarHBondContact O-N 3.3Å; L74-A77 PolarHBondContact O-N 3.07Å
78	M	97.4	Very high	97.4	Very high	49 Å²	49	50 Å²	50	24%	0.241	30%	0.295	C	S	.	.	S	Bend	trans	-93	-84.3	178.3	-68.6	-63.3	-58.8	0	0	111	G40 L74 A82 A83 K86	G40-M78 WeakPolarHBondContact O-CB 3.34Å; L74-M78 HydrophobicContact CD1-CG 3.88Å; L74-M78 WeakPolarHBondContact O-CB 3.5Å; L74-M78 PolarHBondContact O-N 3.3Å; M78-A82 WeakPolarHBondContact O-CB 3.33Å; M78-A83 HydrophobicContact CE-CB 4.47Å; M78-K86 HydrophobicContact CE-CD 4.39Å
79	G	97.6	Very high	97.4	Very high	4 Å²	4	49.6 Å²	49.6	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	60.2	178.3	-169.5	0	0	0	0	0	113.2	G40 M75 G81 A83	G40-G79 CarbonylContact O-C 3.51Å; G40-G79 VanDerWaalsContact O-CA 3.25Å; G40-G79 WeakPolarHBondContact O-CA 3.44Å; G40-G79 PolarHBondContact O-N 3.38Å; M75-G79 PolarHBondContact O-N 3.06Å; G79-G81 VanDerWaalsContact C-N 3.34Å; G79-G81 PolarHBondContact O-N 2.95Å; G79-A83 WeakPolarHBondContact O-CB 3.2Å; G79-A83 PolarHBondContact O-N 3.2Å
80	N	98.4	Very high	97.5	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.053	29%	0.294	C	S	.	.	H	α-helix	trans	-69.3	-33.8	-175.3	-69.2	-4.1	0	0	0	112.4	G20 N21 M23 A25 V41 F42 K84	G20-N80 WeakPolarHBondContact O-CB 3.24Å; G20-N80 PolarHBondContact O-ND2 3.23Å; N21-N80 WeakPolarHBondContact OD1-CB 3.43Å; N21-N80 PolarHBondContact OD1-N 2.91Å; M23-N80 PolarHBondContact O-ND2 3.35Å; A25-N80 HydrophobicContact CB-CB 4.46Å; V41-N80 WeakPolarHBondContact CA-OD1 3.42Å; F42-N80 PolarHBondContact N-OD1 2.94Å; F42-N80 PolarHBondContact O-ND2 3.42Å; F42-N80 VanDerWaalsContact O-ND2 3.15Å; F42-N80 PolarHBondContact O-OD1 2.88Å; N80-K84 VanDerWaalsContact O-CB 3.27Å; N80-K84 WeakPolarHBondContact O-CB 3.44Å; N80-K84 PolarHBondContact O-N 3.47Å
81	G	97.5	Very high	97.6	Very high	43 Å²	43	48.2 Å²	48.2	44%	0.443	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-54.4	177.2	0	0	0	0	0	112.8	G79 K84 A85	G79-G81 VanDerWaalsContact C-N 3.34Å; G79-G81 PolarHBondContact O-N 2.95Å; G81-K84 PolarHBondContact O-N 3.2Å; G81-A85 PolarHBondContact O-N 2.94Å; G81-A85 VanDerWaalsContact O-N 3.07Å
82	A	97.7	Very high	97.6	Very high	42 Å²	42	48.2 Å²	48.2	35%	0.347	28%	0.278	S	S	.	.	H	α-helix	trans	-70.3	-35.9	179.3	0	0	0	0	0	111.7	M78 K84 A85 K86	M78-A82 WeakPolarHBondContact O-CB 3.33Å; A82-K84 VanDerWaalsContact C-N 3.34Å; A82-K84 PolarHBondContact O-N 2.93Å; A82-A85 CarbonylContact O-C 3.42Å; A82-A85 PolarHBondContact O-N 3.04Å; A82-K86 WeakPolarHBondContact O-CB 3.37Å; A82-K86 PolarHBondContact O-N 2.78Å
83	A	97.9	Very high	97.7	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-41.2	174.5	0	0	0	0	0	112	V41 M78 G79 K86 Y87	V41-A83 HydrophobicContact CG1-CB 3.2Å; M78-A83 HydrophobicContact CE-CB 4.47Å; G79-A83 WeakPolarHBondContact O-CB 3.2Å; G79-A83 PolarHBondContact O-N 3.2Å; A83-K86 PolarHBondContact O-N 2.77Å; A83-K86 VanDerWaalsContact O-N 3.16Å; A83-Y87 HydrophobicContact CB-CD2 4.01Å; A83-Y87 HydrophobicContact CB-CE2 4.23Å; A83-Y87 VanDerWaalsContact O-CD2 3.24Å; A83-Y87 WeakPolarHBondContact O-CD2 3.18Å; A83-Y87 PolarHBondContact O-N 2.8Å
84	K	98	Very high	97.7	Very high	125 Å²	125	45.7 Å²	45.7	54%	0.543	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-45.6	172.8	-175.7	174.8	-175.8	179.9	0	111.2	N80 G81 A82 K86 E88	N80-K84 VanDerWaalsContact O-CB 3.27Å; N80-K84 WeakPolarHBondContact O-CB 3.44Å; N80-K84 PolarHBondContact O-N 3.47Å; G81-K84 PolarHBondContact O-N 3.2Å; A82-K84 VanDerWaalsContact C-N 3.34Å; A82-K84 PolarHBondContact O-N 2.93Å; K84-K86 PolarHBondContact O-N 3.22Å; K84-E88 HydrophobicContact CG-CB 4.15Å; K84-E88 HydrophobicContact CG-CG 4.4Å; K84-E88 WeakPolarHBondContact O-CA 3.39Å; K84-E88 VanDerWaalsContact O-CB 3.29Å; K84-E88 WeakPolarHBondContact O-CB 3.18Å; K84-E88 PolarHBondContact O-N 3.5Å
85	A	97.7	Very high	97.8	Very high	70 Å²	70	43.4 Å²	43.4	58%	0.579	26%	0.261	S	S	*	.	H	α-helix	trans	-63.3	-18.7	176.2	0	0	0	0	0	113.7	G81 A82 Q89	G81-A85 PolarHBondContact O-N 2.94Å; G81-A85 VanDerWaalsContact O-N 3.07Å; A82-A85 CarbonylContact O-C 3.42Å; A82-A85 PolarHBondContact O-N 3.04Å; A85-Q89 WeakPolarHBondContact O-CG 3.18Å
86	K	97.4	Very high	97.8	Very high	85 Å²	85	45 Å²	45	37%	0.37	27%	0.267	S	S	.	.	H	α-helix	trans	-97.3	-56.2	176.2	-179.5	-179.1	176.2	-168.9	0	112.9	M78 A82 A83 K84 Q89 E121	M78-K86 HydrophobicContact CE-CD 4.39Å; A82-K86 WeakPolarHBondContact O-CB 3.37Å; A82-K86 PolarHBondContact O-N 2.78Å; A83-K86 PolarHBondContact O-N 2.77Å; A83-K86 VanDerWaalsContact O-N 3.16Å; K84-K86 PolarHBondContact O-N 3.22Å; K86-Q89 VanDerWaalsContact O-CG 3.31Å; K86-Q89 WeakPolarHBondContact O-CG 3.49Å; K86-Q89 PolarHBondContact O-NE2 3.23Å; K86-E121 WeakPolarHBondContact O-CG 3.4Å
87	Y	98.3	Very high	97.9	Very high	17 Å²	17	48.5 Å²	48.5	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-89	-6.9	-170.5	-57.9	-67.5	0	0	0	113.5	L39 A83 Y115 F120	L39-Y87 HydrophobicContact CD2-CE2 4.46Å; A83-Y87 HydrophobicContact CB-CD2 4.01Å; A83-Y87 HydrophobicContact CB-CE2 4.23Å; A83-Y87 VanDerWaalsContact O-CD2 3.24Å; A83-Y87 WeakPolarHBondContact O-CD2 3.18Å; A83-Y87 PolarHBondContact O-N 2.8Å; Y87-Y115 AromaticContact CD1-CD1 3.88Å; Y87-Y115 HydrophobicContact CD1-CD1 3.88Å; Y87-Y115 HydrophobicContact CD1-CE1 4.37Å; Y87-Y115 AromaticContact CD2-CD1 3.82Å; Y87-Y115 HydrophobicContact CD2-CD1 3.82Å; Y87-Y115 AromaticContact CD2-CE1 3.54Å; Y87-Y115 HydrophobicContact CD2-CE1 3.54Å; Y87-Y115 HydrophobicContact CE1-CD1 4.23Å; Y87-Y115 HydrophobicContact CE2-CD1 4.16Å; Y87-Y115 HydrophobicContact CE2-CE1 4.11Å; Y87-Y115 AromaticContact CG-CD1 3.67Å; Y87-Y115 HydrophobicContact CG-CD1 3.67Å; Y87-Y115 AromaticContact CG-CE1 3.69Å; Y87-Y115 HydrophobicContact CG-CE1 3.69Å; Y87-F120 WeakPolarHBondContact O-CB 3.11Å; Y87-F120 WeakPolarHBondContact O-CD2 3.37Å
88	E	98.2	Very high	98	Very high	23 Å²	23	45.2 Å²	45.2	11%	0.107	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	22.3	180	-55.4	-175	-167.9	0	0	112.8	K84 K90 V91 R97 W110 K114	K84-E88 HydrophobicContact CG-CB 4.15Å; K84-E88 HydrophobicContact CG-CG 4.4Å; K84-E88 WeakPolarHBondContact O-CA 3.39Å; K84-E88 VanDerWaalsContact O-CB 3.29Å; K84-E88 WeakPolarHBondContact O-CB 3.18Å; K84-E88 PolarHBondContact O-N 3.5Å; E88-K90 VanDerWaalsContact C-N 3.33Å; E88-K90 PolarHBondContact O-N 3.04Å; E88-V91 HydrophobicContact CB-CG2 3.72Å; E88-V91 HydrophobicContact CG-CG2 4.28Å; E88-R97 IonicContact OE2-CZ 3.3Å; E88-R97 IonicContact OE2-NH1 3.06Å; E88-R97 PolarHBondContact OE2-NH1 2.8Å; E88-R97 IonicContact OE2-NH2 2.69Å; E88-W110 HydrophobicContact CG-CH2 4.47Å; E88-W110 HydrophobicContact CG-CZ2 4.27Å; E88-W110 WeakPolarHBondContact OE1-CZ2 3.26Å; E88-K114 HydrophobicContact CG-CD 3.59Å; E88-K114 HydrophobicContact CG-CG 4.46Å; E88-K114 VanDerWaalsContact OE1-CD 3.28Å; E88-K114 WeakPolarHBondContact OE1-CD 3.42Å; E88-K114 IonicContact OE1-NZ 2.77Å; E88-K114 PolarHBondContact OE1-NZ 3.17Å
89	Q	96.9	Very high	98	Very high	115 Å²	115	45.5 Å²	45.5	54%	0.537	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-42.4	-176.3	-73.2	177.7	67.7	0	0	113.7	A85 K86	A85-Q89 WeakPolarHBondContact O-CG 3.18Å; K86-Q89 VanDerWaalsContact O-CG 3.31Å; K86-Q89 WeakPolarHBondContact O-CG 3.49Å; K86-Q89 PolarHBondContact O-NE2 3.23Å
90	K	98	Very high	98	Very high	97 Å²	97	49.6 Å²	49.6	42%	0.422	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	42.3	-172.2	-53.3	172.9	-173.7	163.4	0	111.5	E88 P92 F120 E121 Q126	E88-K90 VanDerWaalsContact C-N 3.33Å; E88-K90 PolarHBondContact O-N 3.04Å; K90-P92 VanDerWaalsContact O-CD 3.29Å; K90-P92 WeakPolarHBondContact O-CD 3.47Å; K90-F120 VanDerWaalsContact CB-O 3.27Å; K90-F120 WeakPolarHBondContact CB-O 3.3Å; K90-F120 PolarHBondContact N-O 3.42Å; K90-E121 PolarHBondContact NZ-O 3.26Å; K90-Q126 PolarHBondContact O-NE2 2.87Å
91	V	98.5	Very high	97.9	Very high	23 Å²	23	54.5 Å²	54.5	14%	0.139	30%	0.297	C	S	.	.			trans	-71.4	119.8	174.3	-179.3	0	0	0	0	108.9	E88 W110 F120	E88-V91 HydrophobicContact CB-CG2 3.72Å; E88-V91 HydrophobicContact CG-CG2 4.28Å; V91-W110 HydrophobicContact CG1-CH2 4.16Å; V91-W110 HydrophobicContact CG1-CZ3 4.28Å; V91-W110 HydrophobicContact CG2-CH2 3.97Å; V91-W110 HydrophobicContact CG2-CZ3 4.49Å; V91-F120 HydrophobicContact CB-CD1 4.21Å; V91-F120 HydrophobicContact CB-CG 4.42Å; V91-F120 HydrophobicContact CG1-CD1 4.46Å; V91-F120 HydrophobicContact CG1-CE1 4.39Å; V91-F120 HydrophobicContact CG2-CB 3.85Å; V91-F120 HydrophobicContact CG2-CD1 3.79Å; V91-F120 HydrophobicContact CG2-CD2 3.86Å; V91-F120 HydrophobicContact CG2-CE1 4.3Å; V91-F120 HydrophobicContact CG2-CE2 4.36Å; V91-F120 HydrophobicContact CG2-CG 3.53Å
92	P	98.3	Very high	97.9	Very high	19 Å²	19	53.1 Å²	53.1	12%	0.123	28%	0.28	C	S	.	.			trans	-59.9	143.3	176.3	-23.9	34.4	0	0	0	111.7	K90 F94 Y95	K90-P92 VanDerWaalsContact O-CD 3.29Å; K90-P92 WeakPolarHBondContact O-CD 3.47Å; P92-F94 HydrophobicContact CB-CD1 3.9Å; P92-F94 HydrophobicContact CB-CD2 4.19Å; P92-F94 HydrophobicContact CB-CE1 3.51Å; P92-F94 HydrophobicContact CB-CE2 3.8Å; P92-F94 HydrophobicContact CB-CG 4.22Å; P92-F94 HydrophobicContact CB-CZ 3.45Å; P92-F94 VanDerWaalsContact CB-CZ 3.45Å; P92-F94 HydrophobicContact CG-CE1 4.37Å; P92-F94 HydrophobicContact CG-CE2 4.26Å; P92-F94 HydrophobicContact CG-CZ 3.91Å; P92-F94 PolarHBondContact O-N 3.44Å; P92-F94 VanDerWaalsContact O-N 3.14Å; P92-Y95 WeakPolarHBondContact O-CB 3.38Å; P92-Y95 PolarHBondContact O-N 3.27Å
93	A	98	Very high	97.9	Very high	44 Å²	44	52.6 Å²	52.6	36%	0.364	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-35	179.4	0	0	0	0	0	112.5	F232 V248	A93-F232 HydrophobicContact CB-CE1 4.39Å; A93-F232 HydrophobicContact CB-CE2 4.49Å; A93-F232 HydrophobicContact CB-CZ 3.98Å; A93-V248 VanDerWaalsContact O-CG2 3.28Å; A93-V248 WeakPolarHBondContact O-CG2 3.01Å
94	F	98.3	Very high	97.9	Very high	15 Å²	15	58.6 Å²	58.6	7%	0.066	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.9	177.9	62.3	-105.5	0	0	0	114.1	P92 Y96 Y129 R228 A229 F232 L251	P92-F94 HydrophobicContact CB-CD1 3.9Å; P92-F94 HydrophobicContact CB-CD2 4.19Å; P92-F94 HydrophobicContact CB-CE1 3.51Å; P92-F94 HydrophobicContact CB-CE2 3.8Å; P92-F94 HydrophobicContact CB-CG 4.22Å; P92-F94 HydrophobicContact CB-CZ 3.45Å; P92-F94 VanDerWaalsContact CB-CZ 3.45Å; P92-F94 HydrophobicContact CG-CE1 4.37Å; P92-F94 HydrophobicContact CG-CE2 4.26Å; P92-F94 HydrophobicContact CG-CZ 3.91Å; P92-F94 PolarHBondContact O-N 3.44Å; P92-F94 VanDerWaalsContact O-N 3.14Å; F94-Y96 PolarHBondContact O-N 2.95Å; F94-Y129 HydrophobicContact CE2-CD2 4.05Å; F94-Y129 HydrophobicContact CZ-CD2 4.41Å; F94-R228 HydrophobicContact CB-CB 4.5Å; F94-R228 PolarHBondContact O-NE 3.31Å; F94-R228 PolarHBondContact O-NH2 3.04Å; F94-A229 HydrophobicContact CD1-CB 3.89Å; F94-A229 HydrophobicContact CD2-CB 3.69Å; F94-A229 HydrophobicContact CE1-CB 3.87Å; F94-A229 HydrophobicContact CE2-CB 3.7Å; F94-A229 HydrophobicContact CG-CB 3.81Å; F94-A229 HydrophobicContact CZ-CB 3.79Å; F94-F232 HydrophobicContact CB-CB 3.91Å; F94-F232 HydrophobicContact CB-CD1 4.3Å; F94-F232 HydrophobicContact CB-CG 4.14Å; F94-F232 HydrophobicContact CD1-CD1 4.23Å; F94-L251 HydrophobicContact CB-CD1 3.69Å
95	Y	98.8	Very high	97.9	Very high	7 Å²	7	53.3 Å²	53.3	3%	0.027	28%	0.276	C	S	.	.	S	Bend	trans	-66.6	131.5	-174.8	-160.4	-77.7	0	0	0	110.3	P92 R97 W110 F120 Y129 N225	P92-Y95 WeakPolarHBondContact O-CB 3.38Å; P92-Y95 PolarHBondContact O-N 3.27Å; Y95-R97 PolarHBondContact O-N 3.03Å; Y95-W110 HydrophobicContact CD1-CE3 4.08Å; Y95-W110 AromaticContact CD1-CZ3 3.8Å; Y95-W110 HydrophobicContact CD1-CZ3 3.8Å; Y95-W110 AromaticContact CE1-CE3 3.72Å; Y95-W110 HydrophobicContact CE1-CE3 3.72Å; Y95-W110 AromaticContact CE1-CZ3 3.87Å; Y95-W110 HydrophobicContact CE1-CZ3 3.87Å; Y95-F120 HydrophobicContact CD1-CE1 4.33Å; Y95-F120 HydrophobicContact CD1-CZ 4.08Å; Y95-F120 AromaticContact CD2-CE1 3.97Å; Y95-F120 HydrophobicContact CD2-CE1 3.97Å; Y95-F120 HydrophobicContact CD2-CZ 4.36Å; Y95-F120 HydrophobicContact CE1-CE1 4.38Å; Y95-F120 AromaticContact CE1-CZ 3.82Å; Y95-F120 HydrophobicContact CE1-CZ 3.82Å; Y95-F120 HydrophobicContact CE2-CE1 4Å; Y95-F120 HydrophobicContact CE2-CZ 4.1Å; Y95-F120 HydrophobicContact CG-CE1 4.14Å; Y95-F120 HydrophobicContact CG-CZ 4.35Å; Y95-F120 AromaticContact CZ-CZ 3.81Å; Y95-Y129 HydrophobicContact CD2-CD2 4.45Å; Y95-Y129 AromaticContact CD2-CE2 3.81Å; Y95-Y129 HydrophobicContact CD2-CE2 3.81Å; Y95-Y129 AromaticContact CD2-CZ 3.97Å; Y95-Y129 HydrophobicContact CE2-CE1 4.07Å; Y95-Y129 AromaticContact CE2-CE2 3.9Å; Y95-Y129 HydrophobicContact CE2-CE2 3.9Å; Y95-Y129 AromaticContact CE2-CZ 3.6Å; Y95-N225 HydrophobicContact CD2-CB 4.21Å; Y95-N225 HydrophobicContact CE2-CB 4.26Å; Y95-N225 VanDerWaalsContact CE2-ND2 3.34Å; Y95-N225 WeakPolarHBondContact CE2-ND2 3.49Å
96	Y	98.6	Very high	98	Very high	35 Å²	35	50.4 Å²	50.4	14%	0.137	25%	0.251	C	S	.	.			trans	-73.5	120	-178.3	-171.3	-93.8	0	0	0	111.4	F94 P98 D102 L106 F224 N225 N254	F94-Y96 PolarHBondContact O-N 2.95Å; Y96-P98 HydrophobicContact CE1-CB 4.26Å; Y96-D102 VanDerWaalsContact CE1-OD2 3.28Å; Y96-D102 WeakPolarHBondContact CE1-OD2 3.34Å; Y96-D102 VanDerWaalsContact OH-CG 3.25Å; Y96-D102 PolarHBondContact OH-OD1 2.62Å; Y96-D102 PolarHBondContact OH-OD2 2.97Å; Y96-L106 HydrophobicContact CD1-CD1 4.26Å; Y96-L106 HydrophobicContact CD1-CD2 4.04Å; Y96-L106 HydrophobicContact CE1-CD1 3.82Å; Y96-L106 HydrophobicContact CE1-CD2 4.44Å; Y96-F224 HydrophobicContact CD1-CE1 4.1Å; Y96-F224 AromaticContact CD2-CE1 3.91Å; Y96-F224 HydrophobicContact CD2-CE1 3.91Å; Y96-F224 AromaticContact CD2-CZ 3.94Å; Y96-F224 HydrophobicContact CD2-CZ 3.94Å; Y96-F224 HydrophobicContact CE2-CZ 4.45Å; Y96-F224 AromaticContact CG-CE1 3.57Å; Y96-F224 HydrophobicContact CG-CE1 3.57Å; Y96-F224 HydrophobicContact CG-CZ 4.09Å; Y96-N225 PolarHBondContact N-OD1 3.39Å; Y96-N254 PolarHBondContact OH-ND2 3.12Å
97	R	98.4	Very high	98.1	Very high	114 Å²	114	48.3 Å²	48.3	43%	0.43	24%	0.24	S	C	.	.			trans	-92.9	112.6	173.3	-67.3	171.2	175	-87.7	4.6	108.9	E88 Y95 W110	E88-R97 IonicContact OE2-CZ 3.3Å; E88-R97 IonicContact OE2-NH1 3.06Å; E88-R97 PolarHBondContact OE2-NH1 2.8Å; E88-R97 IonicContact OE2-NH2 2.69Å; Y95-R97 PolarHBondContact O-N 3.03Å; R97-W110 HydrophobicContact CG-CH2 4.03Å; R97-W110 HydrophobicContact CG-CZ2 4.38Å; R97-W110 HydrophobicContact CG-CZ3 4.41Å
98	P	98.3	Very high	98.1	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.058	25%	0.246	C	C	.	.			trans	-72.6	151.1	-175.8	30.8	-35.4	0	0	0	112.6	Y96 D102 L106 R107 W110	Y96-P98 HydrophobicContact CE1-CB 4.26Å; P98-D102 WeakPolarHBondContact CA-OD2 3.32Å; P98-D102 HydrophobicContact CB-CB 4.16Å; P98-L106 HydrophobicContact CB-CB 4.1Å; P98-R107 HydrophobicContact CB-CG 3.96Å; P98-R107 HydrophobicContact CG-CG 4.3Å; P98-W110 HydrophobicContact CG-CB 3.53Å; P98-W110 HydrophobicContact CG-CD2 4.44Å; P98-W110 HydrophobicContact CG-CG 3.67Å
99	T	97.9	Very high	98.1	Very high	56 Å²	56	48.8 Å²	48.8	34%	0.344	24%	0.243	S	C	.	.			trans	-102.5	173.3	169.9	78.9	0	0	0	0	110.5	C27 T101 D102 R107	C27-T99 CarbonylContact O-C 3.46Å; C27-T99 WeakPolarHBondContact O-CA 3.49Å; T99-T101 PolarHBondContact O-N 3.41Å; T99-T101 PolarHBondContact OG1-N 3.39Å; T99-T101 PolarHBondContact OG1-OG1 3.2Å; T99-D102 PolarHBondContact N-OD2 3.01Å; T99-D102 WeakPolarHBondContact O-CB 3.41Å; T99-D102 PolarHBondContact O-N 3.38Å; T99-D102 VanDerWaalsContact O-N 3.15Å; T99-R107 WeakPolarHBondContact O-CD 3.43Å
100	H	97.4	Very high	98.2	Very high	89 Å²	89	43.7 Å²	43.7	41%	0.412	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.1	176	64.3	-88.8	0	0	0	114	C27 N29	C27-H100 HydrophobicContact CB-CB 4.31Å; C27-H100 PolarHBondContact O-N 3.36Å; N29-H100 HydrophobicContact CB-CB 3.87Å
101	T	96	Very high	98.2	Very high	114 Å²	114	39.1 Å²	39.1	70%	0.699	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-10.1	176.4	61.4	0	0	0	0	113.3	T99	T99-T101 PolarHBondContact O-N 3.41Å; T99-T101 PolarHBondContact OG1-N 3.39Å; T99-T101 PolarHBondContact OG1-OG1 3.2Å
102	D	97.8	Very high	98.3	Very high	14 Å²	14	39.9 Å²	39.9	8%	0.075	20%	0.2	C	C	.	.	S	Bend	trans	-72	156.8	176.5	-77.9	-55	0	0	0	112.6	Y96 P98 T99 L106 R107	Y96-D102 VanDerWaalsContact CE1-OD2 3.28Å; Y96-D102 WeakPolarHBondContact CE1-OD2 3.34Å; Y96-D102 VanDerWaalsContact OH-CG 3.25Å; Y96-D102 PolarHBondContact OH-OD1 2.62Å; Y96-D102 PolarHBondContact OH-OD2 2.97Å; P98-D102 WeakPolarHBondContact CA-OD2 3.32Å; P98-D102 HydrophobicContact CB-CB 4.16Å; T99-D102 PolarHBondContact N-OD2 3.01Å; T99-D102 WeakPolarHBondContact O-CB 3.41Å; T99-D102 PolarHBondContact O-N 3.38Å; T99-D102 VanDerWaalsContact O-N 3.15Å; D102-L106 HydrophobicContact CB-CB 4.31Å; D102-L106 HydrophobicContact CB-CD1 4.08Å; D102-R107 PolarHBondContact O-NE 3Å; D102-R107 PolarHBondContact O-NH2 2.98Å
103	C	97.4	Very high	98.3	Very high	30 Å²	30	39 Å²	39	20%	0.203	19%	0.194	C	C	.	.			trans	-59.9	154.4	179.8	71.6	0	0	0	0	111.8	L105 L106 R107 P188	C103-L105 PolarHBondContact O-N 3.05Å; C103-L105 VanDerWaalsContact O-N 3.15Å; C103-L106 PolarHBondContact O-N 3.4Å; C103-R107 PolarHBondContact O-N 3.36Å; C103-P188 HydrophobicContact CB-CG 3.97Å
104	K	98	Very high	98.3	Very high	130 Å²	130	37 Å²	37	57%	0.565	18%	0.177	S	C	*	.	H	α-helix	trans	-50	-43.1	-179.8	-179.4	-175.7	171.2	-171.6	0	112.2	L50 L106 R107 E108	L50-K104 HydrophobicContact CD2-CD 4.34Å; L50-K104 HydrophobicContact CD2-CG 3.94Å; K104-L106 PolarHBondContact O-N 2.98Å; K104-R107 PolarHBondContact O-N 3.28Å; K104-E108 VanDerWaalsContact CE-OE2 3.31Å; K104-E108 WeakPolarHBondContact CE-OE2 3.33Å; K104-E108 IonicContact NZ-OE2 3.36Å; K104-E108 VanDerWaalsContact O-CB 3.31Å; K104-E108 WeakPolarHBondContact O-CB 3.35Å; K104-E108 PolarHBondContact O-N 2.87Å
105	L	98.4	Very high	98.3	Very high	14 Å²	14	36.7 Å²	36.7	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-54.1	-50.9	-178.8	173	70.3	0	0	0	112.5	C103 E108 Q109 F186 C195 A217 V221	C103-L105 PolarHBondContact O-N 3.05Å; C103-L105 VanDerWaalsContact O-N 3.15Å; L105-E108 PolarHBondContact O-N 3.14Å; L105-Q109 HydrophobicContact CD1-CG 3.95Å; L105-Q109 WeakPolarHBondContact O-CB 3.22Å; L105-Q109 WeakPolarHBondContact O-CG 3.29Å; L105-Q109 PolarHBondContact O-N 2.8Å; L105-F186 HydrophobicContact CD2-CD1 3.64Å; L105-F186 HydrophobicContact CD2-CE1 3.22Å; L105-F186 HydrophobicContact CD2-CG 4.48Å; L105-F186 HydrophobicContact CD2-CZ 3.77Å; L105-C195 HydrophobicContact CD2-CB 4.44Å; L105-A217 HydrophobicContact CD1-CB 3.32Å; L105-V221 HydrophobicContact CD1-CG2 4.23Å; L105-V221 HydrophobicContact CD2-CG2 4.16Å; L105-V221 HydrophobicContact CG-CG2 3.92Å
106	L	98.8	Very high	98.3	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-45.1	-177.2	-79	170.4	0	0	0	111.2	Y96 P98 D102 C103 K104 W110 F186 V221 F224	Y96-L106 HydrophobicContact CD1-CD1 4.26Å; Y96-L106 HydrophobicContact CD1-CD2 4.04Å; Y96-L106 HydrophobicContact CE1-CD1 3.82Å; Y96-L106 HydrophobicContact CE1-CD2 4.44Å; P98-L106 HydrophobicContact CB-CB 4.1Å; D102-L106 HydrophobicContact CB-CB 4.31Å; D102-L106 HydrophobicContact CB-CD1 4.08Å; C103-L106 PolarHBondContact O-N 3.4Å; K104-L106 PolarHBondContact O-N 2.98Å; L106-W110 WeakPolarHBondContact O-CB 3.49Å; L106-W110 PolarHBondContact O-N 2.87Å; L106-F186 HydrophobicContact CD1-CB 4.46Å; L106-F186 HydrophobicContact CD1-CD2 3.83Å; L106-F186 HydrophobicContact CD1-CG 4.45Å; L106-F186 HydrophobicContact CD2-CD2 3.72Å; L106-F186 HydrophobicContact CD2-CE2 3.6Å; L106-F186 HydrophobicContact CG-CD2 3.78Å; L106-F186 HydrophobicContact CG-CE2 4.1Å; L106-F186 HydrophobicContact CG-CG 4.45Å; L106-V221 HydrophobicContact CD2-CG2 4.47Å; L106-F224 HydrophobicContact CD2-CD1 4.18Å; L106-F224 HydrophobicContact CD2-CE1 4.09Å
107	R	98.8	Very high	98.3	Very high	40 Å²	40	39.7 Å²	39.7	15%	0.151	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-44.5	177.4	-70.7	-175.1	-76.5	128.6	-8	112.3	C27 L50 P98 T99 D102 C103 K104 W110 I111	C27-R107 HydrophobicContact CB-CG 4.34Å; L50-R107 HydrophobicContact CD1-CB 3.78Å; P98-R107 HydrophobicContact CB-CG 3.96Å; P98-R107 HydrophobicContact CG-CG 4.3Å; T99-R107 WeakPolarHBondContact O-CD 3.43Å; D102-R107 PolarHBondContact O-NE 3Å; D102-R107 PolarHBondContact O-NH2 2.98Å; C103-R107 PolarHBondContact O-N 3.36Å; K104-R107 PolarHBondContact O-N 3.28Å; R107-W110 PolarHBondContact O-N 3.49Å; R107-I111 WeakPolarHBondContact O-CG1 3.31Å; R107-I111 PolarHBondContact O-N 3.07Å; R107-I111 VanDerWaalsContact O-N 3.12Å
108	E	98.7	Very high	98.3	Very high	39 Å²	39	36.3 Å²	36.3	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-46.1	179.3	-172.9	178.5	163.4	0	0	111.6	L50 K104 L105 W110 I111 R112	L50-E108 HydrophobicContact CD1-CB 4.32Å; L50-E108 HydrophobicContact CD2-CB 4.21Å; L50-E108 HydrophobicContact CD2-CG 4.44Å; K104-E108 VanDerWaalsContact CE-OE2 3.31Å; K104-E108 WeakPolarHBondContact CE-OE2 3.33Å; K104-E108 IonicContact NZ-OE2 3.36Å; K104-E108 VanDerWaalsContact O-CB 3.31Å; K104-E108 WeakPolarHBondContact O-CB 3.35Å; K104-E108 PolarHBondContact O-N 2.87Å; L105-E108 PolarHBondContact O-N 3.14Å; E108-W110 VanDerWaalsContact C-N 3.3Å; E108-W110 PolarHBondContact O-N 2.84Å; E108-I111 PolarHBondContact O-N 2.9Å; E108-R112 WeakPolarHBondContact O-CG 3.45Å; E108-R112 PolarHBondContact O-N 2.91Å; E108-R112 IonicContact OE1-CZ 2.93Å; E108-R112 IonicContact OE1-NE 2.79Å; E108-R112 PolarHBondContact OE1-NE 3.39Å; E108-R112 IonicContact OE1-NH2 2.8Å; E108-R112 PolarHBondContact OE1-NH2 2.86Å
109	Q	98.8	Very high	98.3	Very high	11 Å²	11	36 Å²	36	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-71	-25.8	-179.6	-70	-57.3	-34.8	0	0	113.1	L105 A113 R117 A217 V221	L105-Q109 HydrophobicContact CD1-CG 3.95Å; L105-Q109 WeakPolarHBondContact O-CB 3.22Å; L105-Q109 WeakPolarHBondContact O-CG 3.29Å; L105-Q109 PolarHBondContact O-N 2.8Å; Q109-A113 WeakPolarHBondContact O-CB 3.48Å; Q109-A113 PolarHBondContact O-N 3.44Å; Q109-R117 PolarHBondContact O-NH2 2.83Å; Q109-A217 HydrophobicContact CG-CB 4.2Å; Q109-V221 HydrophobicContact CB-CB 4.22Å; Q109-V221 HydrophobicContact CB-CG1 4.2Å; Q109-V221 HydrophobicContact CB-CG2 3.88Å; Q109-V221 HydrophobicContact CG-CB 4.39Å; Q109-V221 HydrophobicContact CG-CG2 3.84Å
110	W	98.9	Very high	98.3	Very high	8 Å²	8	33.3 Å²	33.3	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-49.7	168.7	174.5	-115.1	0	0	0	112	D26 E88 V91 Y95 R97 P98 L106 R107 E108 R112 A113 K114 F120	D26-W110 PolarHBondContact O-NE1 3.17Å; E88-W110 HydrophobicContact CG-CH2 4.47Å; E88-W110 HydrophobicContact CG-CZ2 4.27Å; E88-W110 WeakPolarHBondContact OE1-CZ2 3.26Å; V91-W110 HydrophobicContact CG1-CH2 4.16Å; V91-W110 HydrophobicContact CG1-CZ3 4.28Å; V91-W110 HydrophobicContact CG2-CH2 3.97Å; V91-W110 HydrophobicContact CG2-CZ3 4.49Å; Y95-W110 HydrophobicContact CD1-CE3 4.08Å; Y95-W110 AromaticContact CD1-CZ3 3.8Å; Y95-W110 HydrophobicContact CD1-CZ3 3.8Å; Y95-W110 AromaticContact CE1-CE3 3.72Å; Y95-W110 HydrophobicContact CE1-CE3 3.72Å; Y95-W110 AromaticContact CE1-CZ3 3.87Å; Y95-W110 HydrophobicContact CE1-CZ3 3.87Å; R97-W110 HydrophobicContact CG-CH2 4.03Å; R97-W110 HydrophobicContact CG-CZ2 4.38Å; R97-W110 HydrophobicContact CG-CZ3 4.41Å; P98-W110 HydrophobicContact CG-CB 3.53Å; P98-W110 HydrophobicContact CG-CD2 4.44Å; P98-W110 HydrophobicContact CG-CG 3.67Å; L106-W110 WeakPolarHBondContact O-CB 3.49Å; L106-W110 PolarHBondContact O-N 2.87Å; R107-W110 PolarHBondContact O-N 3.49Å; E108-W110 VanDerWaalsContact C-N 3.3Å; E108-W110 PolarHBondContact O-N 2.84Å; W110-R112 VanDerWaalsContact C-N 3.33Å; W110-R112 PolarHBondContact O-N 2.72Å; W110-A113 PolarHBondContact O-N 3.38Å; W110-K114 HydrophobicContact CD2-CD 4.35Å; W110-K114 HydrophobicContact CD2-CG 4.28Å; W110-K114 HydrophobicContact CH2-CD 4.32Å; W110-K114 HydrophobicContact CH2-CG 4.47Å; W110-K114 HydrophobicContact CZ2-CD 3.66Å; W110-K114 HydrophobicContact CZ2-CG 4.2Å; W110-K114 VanDerWaalsContact NE1-CE 3.27Å; W110-K114 WeakPolarHBondContact O-CG 3.29Å; W110-K114 PolarHBondContact O-N 2.89Å; W110-F120 AromaticContact CE3-CE2 3.84Å; W110-F120 HydrophobicContact CE3-CE2 3.84Å; W110-F120 AromaticContact CE3-CZ 3.91Å; W110-F120 HydrophobicContact CE3-CZ 3.91Å; W110-F120 AromaticContact CH2-CE2 3.98Å; W110-F120 HydrophobicContact CH2-CE2 3.98Å; W110-F120 HydrophobicContact CH2-CZ 4.32Å; W110-F120 HydrophobicContact CZ3-CD2 4.36Å; W110-F120 HydrophobicContact CZ3-CE1 4.39Å; W110-F120 AromaticContact CZ3-CE2 3.41Å; W110-F120 HydrophobicContact CZ3-CE2 3.41Å; W110-F120 VanDerWaalsContact CZ3-CE2 3.41Å; W110-F120 AromaticContact CZ3-CZ 3.43Å; W110-F120 HydrophobicContact CZ3-CZ 3.43Å; W110-F120 VanDerWaalsContact CZ3-CZ 3.43Å
111	I	98.9	Very high	98.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-57	-47.9	175.6	-70.7	166.4	0	0	0	110.4	D26 C47 L50 I54 R107 E108 K114 Y115	D26-I111 HydrophobicContact CB-CD1 4.17Å; D26-I111 HydrophobicContact CB-CG1 3.83Å; C47-I111 HydrophobicContact CB-CD1 4.27Å; L50-I111 HydrophobicContact CB-CD1 3.63Å; L50-I111 HydrophobicContact CD1-CD1 3.78Å; L50-I111 HydrophobicContact CG-CD1 4.34Å; I54-I111 HydrophobicContact CD1-CG2 3.9Å; R107-I111 WeakPolarHBondContact O-CG1 3.31Å; R107-I111 PolarHBondContact O-N 3.07Å; R107-I111 VanDerWaalsContact O-N 3.12Å; E108-I111 PolarHBondContact O-N 2.9Å; I111-K114 PolarHBondContact O-N 3.2Å; I111-Y115 HydrophobicContact CB-CD2 4.41Å; I111-Y115 HydrophobicContact CB-CE2 4.5Å; I111-Y115 HydrophobicContact CG2-CD2 3.78Å; I111-Y115 HydrophobicContact CG2-CE2 4.14Å; I111-Y115 WeakPolarHBondContact O-CD2 3.42Å; I111-Y115 PolarHBondContact O-N 2.93Å
112	R	98.8	Very high	98.4	Very high	39 Å²	39	29.9 Å²	29.9	15%	0.147	14%	0.136	C	C	.	.	I	π-helix	trans	-66	-38	178.3	-66.6	178.6	175.6	-76.8	-5.5	112.5	S53 I54 E108 W110 E116 R117	S53-R112 PolarHBondContact O-NH2 2.66Å; S53-R112 PolarHBondContact OG-NH2 3.38Å; I54-R112 HydrophobicContact CG2-CG 4.33Å; E108-R112 WeakPolarHBondContact O-CG 3.45Å; E108-R112 PolarHBondContact O-N 2.91Å; E108-R112 IonicContact OE1-CZ 2.93Å; E108-R112 IonicContact OE1-NE 2.79Å; E108-R112 PolarHBondContact OE1-NE 3.39Å; E108-R112 IonicContact OE1-NH2 2.8Å; E108-R112 PolarHBondContact OE1-NH2 2.86Å; W110-R112 VanDerWaalsContact C-N 3.33Å; W110-R112 PolarHBondContact O-N 2.72Å; R112-E116 HydrophobicContact CB-CB 4.33Å; R112-E116 WeakPolarHBondContact CB-OE2 3.49Å; R112-E116 WeakPolarHBondContact CD-OE2 3.5Å; R112-E116 WeakPolarHBondContact CG-OE2 3.28Å; R112-E116 IonicContact CZ-OE2 3.64Å; R112-E116 IonicContact NE-OE2 3.95Å; R112-E116 IonicContact NH1-OE1 2.68Å; R112-E116 PolarHBondContact NH1-OE1 3.34Å; R112-E116 IonicContact NH1-OE2 2.74Å; R112-E116 PolarHBondContact NH1-OE2 3.39Å; R112-E116 WeakPolarHBondContact O-CB 3.22Å; R112-E116 PolarHBondContact O-N 2.81Å; R112-E116 VanDerWaalsContact O-N 3.07Å; R112-R117 PolarHBondContact O-N 2.74Å
113	A	98.8	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-62	-43.2	175.2	0	0	0	0	0	111.7	Q109 W110 N118 E119 F120	Q109-A113 WeakPolarHBondContact O-CB 3.48Å; Q109-A113 PolarHBondContact O-N 3.44Å; W110-A113 PolarHBondContact O-N 3.38Å; A113-N118 PolarHBondContact O-N 3.03Å; A113-N118 VanDerWaalsContact O-N 3.13Å; A113-E119 HydrophobicContact CB-CB 4.49Å; A113-E119 HydrophobicContact CB-CG 4.35Å; A113-E119 PolarHBondContact O-N 2.98Å; A113-F120 HydrophobicContact CB-CE2 3.77Å; A113-F120 HydrophobicContact CB-CZ 3.79Å
114	K	98.7	Very high	98.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	17%	0.174	C	C	.	.	I	π-helix	trans	-67.9	-52.2	179.5	-72.5	-158.4	-67.2	176.1	0	113.2	A25 D26 E88 W110 I111 N118 F120	A25-K114 PolarHBondContact O-NZ 2.87Å; D26-K114 WeakPolarHBondContact OD1-CE 3.36Å; D26-K114 IonicContact OD1-NZ 3.99Å; D26-K114 PolarHBondContact OD1-NZ 3.26Å; E88-K114 HydrophobicContact CG-CD 3.59Å; E88-K114 HydrophobicContact CG-CG 4.46Å; E88-K114 VanDerWaalsContact OE1-CD 3.28Å; E88-K114 WeakPolarHBondContact OE1-CD 3.42Å; E88-K114 IonicContact OE1-NZ 2.77Å; E88-K114 PolarHBondContact OE1-NZ 3.17Å; W110-K114 HydrophobicContact CD2-CD 4.35Å; W110-K114 HydrophobicContact CD2-CG 4.28Å; W110-K114 HydrophobicContact CH2-CD 4.32Å; W110-K114 HydrophobicContact CH2-CG 4.47Å; W110-K114 HydrophobicContact CZ2-CD 3.66Å; W110-K114 HydrophobicContact CZ2-CG 4.2Å; W110-K114 VanDerWaalsContact NE1-CE 3.27Å; W110-K114 WeakPolarHBondContact O-CG 3.29Å; W110-K114 PolarHBondContact O-N 2.89Å; I111-K114 PolarHBondContact O-N 3.2Å; K114-N118 PolarHBondContact O-OD1 3.12Å; K114-F120 HydrophobicContact CG-CD2 3.8Å; K114-F120 HydrophobicContact CG-CE2 3.67Å
115	Y	98.7	Very high	98.3	Very high	8 Å²	8	36.5 Å²	36.5	3%	0.031	17%	0.166	C	C	.	.	I	π-helix	trans	-111.8	-26.5	-161.9	-47	-57.8	0	0	0	114.8	D26 L39 H51 I57 Y87 I111 N118	D26-Y115 VanDerWaalsContact OD1-CE2 3.3Å; D26-Y115 WeakPolarHBondContact OD1-CE2 3.36Å; D26-Y115 PolarHBondContact OD1-OH 2.9Å; L39-Y115 HydrophobicContact CD1-CD1 3.94Å; L39-Y115 HydrophobicContact CD1-CD2 3.84Å; L39-Y115 HydrophobicContact CD1-CE1 4.36Å; L39-Y115 HydrophobicContact CD1-CE2 4.27Å; L39-Y115 HydrophobicContact CD1-CG 3.65Å; L39-Y115 HydrophobicContact CD2-CD1 4.15Å; L39-Y115 HydrophobicContact CD2-CG 4.33Å; H51-Y115 AromaticContact CE1-CD2 3.81Å; H51-Y115 AromaticContact CE1-CE2 3.56Å; H51-Y115 AromaticContact NE2-CE2 3.71Å; I57-Y115 WeakPolarHBondContact CG2-O 3.47Å; Y87-Y115 AromaticContact CD1-CD1 3.88Å; Y87-Y115 HydrophobicContact CD1-CD1 3.88Å; Y87-Y115 HydrophobicContact CD1-CE1 4.37Å; Y87-Y115 AromaticContact CD2-CD1 3.82Å; Y87-Y115 HydrophobicContact CD2-CD1 3.82Å; Y87-Y115 AromaticContact CD2-CE1 3.54Å; Y87-Y115 HydrophobicContact CD2-CE1 3.54Å; Y87-Y115 HydrophobicContact CE1-CD1 4.23Å; Y87-Y115 HydrophobicContact CE2-CD1 4.16Å; Y87-Y115 HydrophobicContact CE2-CE1 4.11Å; Y87-Y115 AromaticContact CG-CD1 3.67Å; Y87-Y115 HydrophobicContact CG-CD1 3.67Å; Y87-Y115 AromaticContact CG-CE1 3.69Å; Y87-Y115 HydrophobicContact CG-CE1 3.69Å; I111-Y115 HydrophobicContact CB-CD2 4.41Å; I111-Y115 HydrophobicContact CB-CE2 4.5Å; I111-Y115 HydrophobicContact CG2-CD2 3.78Å; I111-Y115 HydrophobicContact CG2-CE2 4.14Å; I111-Y115 WeakPolarHBondContact O-CD2 3.42Å; I111-Y115 PolarHBondContact O-N 2.93Å; Y115-N118 PolarHBondContact O-OD1 3.07Å
116	E	98.5	Very high	98.3	Very high	62 Å²	62	36.3 Å²	36.3	29%	0.29	17%	0.165	S	C	.	.	I	π-helix	trans	-95.1	-43.1	-178.9	178	-179.8	-128.5	0	0	110.6	I54 H56 R112	I54-E116 HydrophobicContact CG2-CB 4.47Å; I54-E116 WeakPolarHBondContact CG2-OE1 3.35Å; H56-E116 IonicContact CE1-OE1 3.75Å; R112-E116 HydrophobicContact CB-CB 4.33Å; R112-E116 WeakPolarHBondContact CB-OE2 3.49Å; R112-E116 WeakPolarHBondContact CD-OE2 3.5Å; R112-E116 WeakPolarHBondContact CG-OE2 3.28Å; R112-E116 IonicContact CZ-OE2 3.64Å; R112-E116 IonicContact NE-OE2 3.95Å; R112-E116 IonicContact NH1-OE1 2.68Å; R112-E116 PolarHBondContact NH1-OE1 3.34Å; R112-E116 IonicContact NH1-OE2 2.74Å; R112-E116 PolarHBondContact NH1-OE2 3.39Å; R112-E116 WeakPolarHBondContact O-CB 3.22Å; R112-E116 PolarHBondContact O-N 2.81Å; R112-E116 VanDerWaalsContact O-N 3.07Å
117	R	98.5	Very high	98.3	Very high	43 Å²	43	41.3 Å²	41.3	16%	0.162	19%	0.188	C	C	.	.	S	Bend	trans	-100.7	-15.8	-176.2	-58.6	-171.2	-57.2	-99.1	3.8	112.9	Q109 R112 E119 K125	Q109-R117 PolarHBondContact O-NH2 2.83Å; R112-R117 PolarHBondContact O-N 2.74Å; R117-E119 HydrophobicContact CB-CG 3.85Å; R117-E119 IonicContact CZ-OE1 3.72Å; R117-E119 VanDerWaalsContact CZ-OE1 3.3Å; R117-E119 IonicContact NE-OE1 3.09Å; R117-E119 PolarHBondContact NE-OE1 2.87Å; R117-E119 IonicContact NH2-OE1 3.96Å; R117-E119 PolarHBondContact NH2-OE1 3.42Å; R117-E119 PolarHBondContact O-N 3.38Å; R117-K125 WeakPolarHBondContact O-CD 3.36Å; R117-K125 WeakPolarHBondContact O-CE 3.27Å; R117-K125 PolarHBondContact O-NZ 3.09Å
118	N	98.1	Very high	98.2	Very high	43 Å²	43	41.9 Å²	41.9	23%	0.23	20%	0.197	C	C	.	.			trans	51.4	40.5	179.1	-54.2	-17.1	0	0	0	112.1	A113 K114 Y115 F120 E121 F122	A113-N118 PolarHBondContact O-N 3.03Å; A113-N118 VanDerWaalsContact O-N 3.13Å; K114-N118 PolarHBondContact O-OD1 3.12Å; Y115-N118 PolarHBondContact O-OD1 3.07Å; N118-F120 PolarHBondContact O-N 3.02Å; N118-E121 HydrophobicContact CB-CB 4.27Å; N118-E121 HydrophobicContact CB-CG 4.49Å; N118-E121 WeakPolarHBondContact CB-OE1 3.3Å; N118-E121 PolarHBondContact O-N 3.43Å; N118-F122 HydrophobicContact CB-CD2 3.82Å; N118-F122 HydrophobicContact CB-CE2 3.88Å; N118-F122 WeakPolarHBondContact O-CD2 3.4Å; N118-F122 PolarHBondContact O-N 3.12Å
119	E	98.6	Very high	98.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.4	-174.4	-66.1	-175.6	-167.6	0	0	112	A113 R117 F122 K125 Q126 Y129 K218	A113-E119 HydrophobicContact CB-CB 4.49Å; A113-E119 HydrophobicContact CB-CG 4.35Å; A113-E119 PolarHBondContact O-N 2.98Å; R117-E119 HydrophobicContact CB-CG 3.85Å; R117-E119 IonicContact CZ-OE1 3.72Å; R117-E119 VanDerWaalsContact CZ-OE1 3.3Å; R117-E119 IonicContact NE-OE1 3.09Å; R117-E119 PolarHBondContact NE-OE1 2.87Å; R117-E119 IonicContact NH2-OE1 3.96Å; R117-E119 PolarHBondContact NH2-OE1 3.42Å; R117-E119 PolarHBondContact O-N 3.38Å; E119-F122 VanDerWaalsContact O-O 3.1Å; E119-K125 HydrophobicContact CB-CB 4.5Å; E119-K125 HydrophobicContact CG-CB 4.25Å; E119-Q126 VanDerWaalsContact O-CG 3.3Å; E119-Q126 WeakPolarHBondContact O-CG 3.33Å; E119-Q126 PolarHBondContact O-NE2 2.96Å; E119-Y129 WeakPolarHBondContact OE2-CE1 3.2Å; E119-Y129 PolarHBondContact OE2-OH 2.89Å; E119-K218 IonicContact OE1-NZ 3.84Å; E119-K218 PolarHBondContact OE1-NZ 2.97Å
120	F	98.6	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.5	-178.7	-42.4	-57.5	0	0	0	113.5	Y87 K90 V91 Y95 W110 A113 K114 N118	Y87-F120 WeakPolarHBondContact O-CB 3.11Å; Y87-F120 WeakPolarHBondContact O-CD2 3.37Å; K90-F120 VanDerWaalsContact CB-O 3.27Å; K90-F120 WeakPolarHBondContact CB-O 3.3Å; K90-F120 PolarHBondContact N-O 3.42Å; V91-F120 HydrophobicContact CB-CD1 4.21Å; V91-F120 HydrophobicContact CB-CG 4.42Å; V91-F120 HydrophobicContact CG1-CD1 4.46Å; V91-F120 HydrophobicContact CG1-CE1 4.39Å; V91-F120 HydrophobicContact CG2-CB 3.85Å; V91-F120 HydrophobicContact CG2-CD1 3.79Å; V91-F120 HydrophobicContact CG2-CD2 3.86Å; V91-F120 HydrophobicContact CG2-CE1 4.3Å; V91-F120 HydrophobicContact CG2-CE2 4.36Å; V91-F120 HydrophobicContact CG2-CG 3.53Å; Y95-F120 HydrophobicContact CD1-CE1 4.33Å; Y95-F120 HydrophobicContact CD1-CZ 4.08Å; Y95-F120 AromaticContact CD2-CE1 3.97Å; Y95-F120 HydrophobicContact CD2-CE1 3.97Å; Y95-F120 HydrophobicContact CD2-CZ 4.36Å; Y95-F120 HydrophobicContact CE1-CE1 4.38Å; Y95-F120 AromaticContact CE1-CZ 3.82Å; Y95-F120 HydrophobicContact CE1-CZ 3.82Å; Y95-F120 HydrophobicContact CE2-CE1 4Å; Y95-F120 HydrophobicContact CE2-CZ 4.1Å; Y95-F120 HydrophobicContact CG-CE1 4.14Å; Y95-F120 HydrophobicContact CG-CZ 4.35Å; Y95-F120 AromaticContact CZ-CZ 3.81Å; W110-F120 AromaticContact CE3-CE2 3.84Å; W110-F120 HydrophobicContact CE3-CE2 3.84Å; W110-F120 AromaticContact CE3-CZ 3.91Å; W110-F120 HydrophobicContact CE3-CZ 3.91Å; W110-F120 AromaticContact CH2-CE2 3.98Å; W110-F120 HydrophobicContact CH2-CE2 3.98Å; W110-F120 HydrophobicContact CH2-CZ 4.32Å; W110-F120 HydrophobicContact CZ3-CD2 4.36Å; W110-F120 HydrophobicContact CZ3-CE1 4.39Å; W110-F120 AromaticContact CZ3-CE2 3.41Å; W110-F120 HydrophobicContact CZ3-CE2 3.41Å; W110-F120 VanDerWaalsContact CZ3-CE2 3.41Å; W110-F120 AromaticContact CZ3-CZ 3.43Å; W110-F120 HydrophobicContact CZ3-CZ 3.43Å; W110-F120 VanDerWaalsContact CZ3-CZ 3.43Å; A113-F120 HydrophobicContact CB-CE2 3.77Å; A113-F120 HydrophobicContact CB-CZ 3.79Å; K114-F120 HydrophobicContact CG-CD2 3.8Å; K114-F120 HydrophobicContact CG-CE2 3.67Å; N118-F120 PolarHBondContact O-N 3.02Å
121	E	97.5	Very high	98.1	Very high	37 Å²	37	43.7 Å²	43.7	17%	0.173	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-38.5	167.5	-64.2	-177.6	-94.1	0	0	110.3	K86 K90 N118	K86-E121 WeakPolarHBondContact O-CG 3.4Å; K90-E121 PolarHBondContact NZ-O 3.26Å; N118-E121 HydrophobicContact CB-CB 4.27Å; N118-E121 HydrophobicContact CB-CG 4.49Å; N118-E121 WeakPolarHBondContact CB-OE1 3.3Å; N118-E121 PolarHBondContact O-N 3.43Å
122	F	97.8	Very high	98	Very high	94 Å²	94	44.4 Å²	44.4	41%	0.412	23%	0.227	S	C	.	.			trans	-115.5	104.6	-176.7	-55.8	-75.8	0	0	0	111.5	N118 E119 E124 K125	N118-F122 HydrophobicContact CB-CD2 3.82Å; N118-F122 HydrophobicContact CB-CE2 3.88Å; N118-F122 WeakPolarHBondContact O-CD2 3.4Å; N118-F122 PolarHBondContact O-N 3.12Å; E119-F122 VanDerWaalsContact O-O 3.1Å; F122-E124 PolarHBondContact O-N 3.3Å; F122-K125 HydrophobicContact CB-CD 4.11Å; F122-K125 HydrophobicContact CB-CG 4.18Å; F122-K125 WeakPolarHBondContact O-CB 3.48Å; F122-K125 PolarHBondContact O-N 2.81Å; F122-K125 VanDerWaalsContact O-N 3.11Å
123	I	95.9	Very high	98	Very high	95 Å²	95	48 Å²	48	49%	0.487	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-64.5	-26.8	-171.6	-163.3	165.6	0	0	0	112.7	K125 Q126	I123-K125 PolarHBondContact O-N 3.12Å; I123-Q126 VanDerWaalsContact O-CB 3.24Å; I123-Q126 WeakPolarHBondContact O-CB 3.25Å; I123-Q126 WeakPolarHBondContact O-CG 3.49Å; I123-Q126 PolarHBondContact O-N 2.83Å
124	E	97.2	Very high	98	Very high	129 Å²	129	49 Å²	49	60%	0.603	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-63.8	-25.2	179.3	-50.6	76.3	-163.4	0	0	111.5	F122 Q126 E127	F122-E124 PolarHBondContact O-N 3.3Å; E124-Q126 PolarHBondContact O-N 2.63Å; E124-E127 WeakPolarHBondContact O-CB 3.19Å; E124-E127 PolarHBondContact O-N 2.93Å
125	K	98.1	Very high	98	Very high	90 Å²	90	53.4 Å²	53.4	39%	0.391	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-74.8	-10.5	175.6	-63	-176.3	175.4	171.1	0	113.2	R117 E119 F122 I123 P128	R117-K125 WeakPolarHBondContact O-CD 3.36Å; R117-K125 WeakPolarHBondContact O-CE 3.27Å; R117-K125 PolarHBondContact O-NZ 3.09Å; E119-K125 HydrophobicContact CB-CB 4.5Å; E119-K125 HydrophobicContact CG-CB 4.25Å; F122-K125 HydrophobicContact CB-CD 4.11Å; F122-K125 HydrophobicContact CB-CG 4.18Å; F122-K125 WeakPolarHBondContact O-CB 3.48Å; F122-K125 PolarHBondContact O-N 2.81Å; F122-K125 VanDerWaalsContact O-N 3.11Å; I123-K125 PolarHBondContact O-N 3.12Å; K125-P128 WeakPolarHBondContact O-CD 3.47Å
126	Q	98.4	Very high	97.9	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.042	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-91.9	-13	179.6	-50	-179	3.2	0	0	112.6	K90 E119 I123 E124 P128 Y129 S130	K90-Q126 PolarHBondContact O-NE2 2.87Å; E119-Q126 VanDerWaalsContact O-CG 3.3Å; E119-Q126 WeakPolarHBondContact O-CG 3.33Å; E119-Q126 PolarHBondContact O-NE2 2.96Å; I123-Q126 VanDerWaalsContact O-CB 3.24Å; I123-Q126 WeakPolarHBondContact O-CB 3.25Å; I123-Q126 WeakPolarHBondContact O-CG 3.49Å; I123-Q126 PolarHBondContact O-N 2.83Å; E124-Q126 PolarHBondContact O-N 2.63Å; Q126-P128 VanDerWaalsContact C-N 3.3Å; Q126-Y129 HydrophobicContact CB-CE2 3.67Å; Q126-Y129 HydrophobicContact CG-CE2 4.24Å; Q126-Y129 WeakPolarHBondContact O-CD2 3.33Å; Q126-Y129 PolarHBondContact O-N 2.97Å; Q126-Y129 VanDerWaalsContact O-N 3.13Å; Q126-S130 VanDerWaalsContact O-CB 3.23Å; Q126-S130 WeakPolarHBondContact O-CB 3.41Å; Q126-S130 PolarHBondContact O-N 3.25Å; Q126-S130 PolarHBondContact O-OG 2.91Å
127	E	97.8	Very high	97.9	Very high	114 Å²	114	54.9 Å²	54.9	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-45.5	-44.4	177.3	-81.4	-64.6	135	0	0	113.9	E124 Y129 S130 A131	E124-E127 WeakPolarHBondContact O-CB 3.19Å; E124-E127 PolarHBondContact O-N 2.93Å; E127-Y129 PolarHBondContact O-N 2.84Å; E127-S130 PolarHBondContact O-N 3.17Å; E127-S130 VanDerWaalsContact O-N 3.16Å; E127-A131 WeakPolarHBondContact O-CB 3.25Å; E127-A131 PolarHBondContact O-N 3.43Å
128	P	97.8	Very high	97.9	Very high	52 Å²	52	53 Å²	53	34%	0.338	27%	0.27	S	S	.	.	H	α-helix	trans	-57.1	-21.8	-177	-26.9	36.4	0	0	0	115.5	K125 Q126 R134	K125-P128 WeakPolarHBondContact O-CD 3.47Å; Q126-P128 VanDerWaalsContact C-N 3.3Å; P128-R134 WeakPolarHBondContact O-CD 3.28Å; P128-R134 PolarHBondContact O-NH1 2.91Å
129	Y	98.2	Very high	97.9	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.02	28%	0.277	C	S	.	.	H	α-helix	trans	-126	1.5	178.7	52.9	-106.9	0	0	0	114.3	F94 Y95 E119 Q126 E127 D222 N225	F94-Y129 HydrophobicContact CE2-CD2 4.05Å; F94-Y129 HydrophobicContact CZ-CD2 4.41Å; Y95-Y129 HydrophobicContact CD2-CD2 4.45Å; Y95-Y129 AromaticContact CD2-CE2 3.81Å; Y95-Y129 HydrophobicContact CD2-CE2 3.81Å; Y95-Y129 AromaticContact CD2-CZ 3.97Å; Y95-Y129 HydrophobicContact CE2-CE1 4.07Å; Y95-Y129 AromaticContact CE2-CE2 3.9Å; Y95-Y129 HydrophobicContact CE2-CE2 3.9Å; Y95-Y129 AromaticContact CE2-CZ 3.6Å; E119-Y129 WeakPolarHBondContact OE2-CE1 3.2Å; E119-Y129 PolarHBondContact OE2-OH 2.89Å; Q126-Y129 HydrophobicContact CB-CE2 3.67Å; Q126-Y129 HydrophobicContact CG-CE2 4.24Å; Q126-Y129 WeakPolarHBondContact O-CD2 3.33Å; Q126-Y129 PolarHBondContact O-N 2.97Å; Q126-Y129 VanDerWaalsContact O-N 3.13Å; E127-Y129 PolarHBondContact O-N 2.84Å; Y129-D222 WeakPolarHBondContact CB-O 3.46Å; Y129-D222 HydrophobicContact CD1-CB 4.08Å; Y129-N225 HydrophobicContact CG-CB 4.49Å
130	S	97.9	Very high	97.9	Very high	34 Å²	34	56.3 Å²	56.3	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-115.9	-13.3	-176	-49	0	0	0	0	113.8	Q126 E127 G132	Q126-S130 VanDerWaalsContact O-CB 3.23Å; Q126-S130 WeakPolarHBondContact O-CB 3.41Å; Q126-S130 PolarHBondContact O-N 3.25Å; Q126-S130 PolarHBondContact O-OG 2.91Å; E127-S130 PolarHBondContact O-N 3.17Å; E127-S130 VanDerWaalsContact O-N 3.16Å; S130-G132 PolarHBondContact O-N 3.42Å; S130-G132 VanDerWaalsContact O-N 3.11Å
131	A	97.1	Very high	97.8	Very high	57 Å²	57	59 Å²	59	47%	0.471	29%	0.29	S	S	.	.	S	Bend	trans	-71.7	-1.9	-174.8	0	0	0	0	0	115.6	E127 Y133	E127-A131 WeakPolarHBondContact O-CB 3.25Å; E127-A131 PolarHBondContact O-N 3.43Å; A131-Y133 PolarHBondContact O-N 2.85Å; A131-Y133 VanDerWaalsContact O-N 3.09Å
132	G	97.4	Very high	97.8	Very high	17 Å²	17	58.2 Å²	58.2	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	67.9	3.7	-174.8	0	0	0	0	0	115.5	S130 E157	S130-G132 PolarHBondContact O-N 3.42Å; S130-G132 VanDerWaalsContact O-N 3.11Å; G132-E157 WeakPolarHBondContact CA-OE1 3.34Å; G132-E157 WeakPolarHBondContact O-CB 3.4Å; G132-E157 WeakPolarHBondContact O-CG 3.43Å; G132-E157 PolarHBondContact O-N 3.47Å
133	Y	98.6	Very high	97.5	Very high	116 Å²	116	60.5 Å²	60.5	46%	0.455	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.7	171.2	-175.9	-91.5	0	0	0	109.9	A131 E135 V154 L155	A131-Y133 PolarHBondContact O-N 2.85Å; A131-Y133 VanDerWaalsContact O-N 3.09Å; Y133-E135 HydrophobicContact CE1-CB 4.14Å; Y133-E135 HydrophobicContact CE1-CG 3.96Å; Y133-E135 PolarHBondContact OH-OE2 3.26Å; Y133-V154 HydrophobicContact CD2-CG1 4.4Å; Y133-V154 HydrophobicContact CE2-CG1 3.52Å; Y133-L155 WeakPolarHBondContact CA-O 3.42Å
134	R	98.4	Very high	96.9	Very high	21 Å²	21	62.5 Å²	62.5	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	133	173.5	-174.7	176.4	176	76.6	3.8	109.9	P128 V154 L155 E219 W223	P128-R134 WeakPolarHBondContact O-CD 3.28Å; P128-R134 PolarHBondContact O-NH1 2.91Å; R134-V154 CarbonylContact O-C 3.53Å; R134-V154 WeakPolarHBondContact O-CA 3.46Å; R134-L155 HydrophobicContact CB-CB 4.41Å; R134-L155 PolarHBondContact N-O 2.98Å; R134-L155 PolarHBondContact O-N 3.3Å; R134-E219 IonicContact CZ-OE2 2.93Å; R134-E219 PolarHBondContact NH2-O 3.33Å; R134-E219 IonicContact NH2-OE1 2.93Å; R134-E219 IonicContact NH2-OE2 2.81Å; R134-E219 PolarHBondContact NH2-OE2 2.82Å; R134-W223 HydrophobicContact CB-CH2 4.32Å; R134-W223 HydrophobicContact CB-CZ3 4.23Å; R134-W223 HydrophobicContact CG-CD2 4.34Å; R134-W223 HydrophobicContact CG-CE3 4.25Å; R134-W223 HydrophobicContact CG-CH2 3.92Å; R134-W223 HydrophobicContact CG-CZ2 4Å; R134-W223 HydrophobicContact CG-CZ3 4.05Å; R134-W223 WeakPolarHBondContact O-CH2 3.46Å
135	E	97.9	Very high	96.6	Very high	93 Å²	93	60.7 Å²	60.7	44%	0.435	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.9	170.5	68.5	169.4	-127.4	0	0	111.9	Y133 K152 F153 V154	Y133-E135 HydrophobicContact CE1-CB 4.14Å; Y133-E135 HydrophobicContact CE1-CG 3.96Å; Y133-E135 PolarHBondContact OH-OE2 3.26Å; E135-K152 VanDerWaalsContact CD-CE 3.46Å; E135-K152 WeakPolarHBondContact OE1-CE 3.34Å; E135-K152 IonicContact OE1-NZ 2.81Å; E135-K152 PolarHBondContact OE1-NZ 3.12Å; E135-K152 VanDerWaalsContact OE2-CE 3.27Å; E135-K152 WeakPolarHBondContact OE2-CE 3.38Å; E135-K152 IonicContact OE2-NZ 2.89Å; E135-K152 PolarHBondContact OE2-NZ 3.26Å; E135-F153 VanDerWaalsContact CA-O 3.25Å; E135-F153 WeakPolarHBondContact CA-O 3.47Å; E135-V154 HydrophobicContact CB-CG2 3.91Å
136	G	97.6	Very high	96.2	Very high	19 Å²	19	57.6 Å²	57.6	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167	175.8	-178	0	0	0	0	0	111.7	K152 F153	G136-K152 CarbonylContact O-C 3.58Å; G136-K152 WeakPolarHBondContact O-CA 3.41Å; G136-F153 PolarHBondContact N-O 2.8Å; G136-F153 VanDerWaalsContact N-O 3.09Å; G136-F153 PolarHBondContact O-N 2.91Å
137	F	97.8	Very high	96	Very high	82 Å²	82	62.6 Å²	62.6	36%	0.36	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.7	-179.6	-69.9	-94.4	0	0	0	110.6	S150 R151 K152 Q168 H214	F137-S150 WeakPolarHBondContact CD1-OG 3.27Å; F137-R151 WeakPolarHBondContact CA-O 3.28Å; F137-K152 HydrophobicContact CD1-CB 4.24Å; F137-K152 HydrophobicContact CE1-CB 3.89Å; F137-K152 HydrophobicContact CZ-CB 4.16Å; F137-Q168 HydrophobicContact CZ-CG 4.05Å; F137-H214 PolarHBondContact O-CD2 2.95Å
138	L	98.6	Very high	96	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.5	170.5	-66.4	173.8	0	0	0	109.5	K140 R151 F153 V212 H214 M220 W223	L138-K140 PolarHBondContact O-N 2.89Å; L138-R151 PolarHBondContact N-O 3.44Å; L138-R151 PolarHBondContact O-N 3.08Å; L138-F153 HydrophobicContact CB-CD2 3.78Å; L138-F153 HydrophobicContact CB-CE2 3.83Å; L138-F153 HydrophobicContact CD1-CB 4.45Å; L138-F153 HydrophobicContact CD1-CD1 4.48Å; L138-F153 HydrophobicContact CD1-CD2 3.95Å; L138-F153 HydrophobicContact CD1-CE2 4.28Å; L138-F153 HydrophobicContact CD1-CG 4.06Å; L138-F153 HydrophobicContact CG-CD2 4.13Å; L138-V212 HydrophobicContact CB-CB 4.29Å; L138-V212 HydrophobicContact CB-CG1 4.41Å; L138-V212 HydrophobicContact CD1-CB 4.32Å; L138-V212 HydrophobicContact CD1-CG2 4.24Å; L138-H214 HydrophobicContact CD2-CB 3.82Å; L138-M220 HydrophobicContact CD2-SD 4.23Å; L138-W223 HydrophobicContact CD1-CD2 4.25Å; L138-W223 HydrophobicContact CD1-CG 4.32Å; L138-W223 HydrophobicContact CD2-CG 4.44Å
139	W	98.6	Very high	96	Very high	100 Å²	100	59.7 Å²	59.7	38%	0.379	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	110	168.3	-71.2	98.4	0	0	0	108	F148 V212 Y213	W139-F148 HydrophobicContact CB-CB 4.35Å; W139-F148 HydrophobicContact CB-CD1 4.34Å; W139-F148 HydrophobicContact CE3-CB 4.4Å; W139-F148 WeakPolarHBondContact O-CD1 3.47Å; W139-V212 CarbonylContact O-C 3.58Å; W139-V212 WeakPolarHBondContact O-CA 3.19Å; W139-Y213 HydrophobicContact CB-CD1 3.83Å; W139-Y213 HydrophobicContact CB-CD2 4.02Å; W139-Y213 HydrophobicContact CB-CE1 3.47Å; W139-Y213 VanDerWaalsContact CB-CE1 3.47Å; W139-Y213 HydrophobicContact CB-CE2 3.64Å; W139-Y213 HydrophobicContact CB-CG 4.08Å; W139-Y213 AromaticContact CD1-CE2 3.46Å; W139-Y213 VanDerWaalsContact CD1-CE2 3.46Å; W139-Y213 AromaticContact CD1-CZ 3.87Å; W139-Y213 HydrophobicContact CG-CD2 4.31Å; W139-Y213 HydrophobicContact CG-CE1 4.17Å; W139-Y213 AromaticContact CG-CE2 3.61Å; W139-Y213 HydrophobicContact CG-CE2 3.61Å; W139-Y213 AromaticContact CG-CZ 3.52Å; W139-Y213 PolarHBondContact N-O 2.86Å; W139-Y213 PolarHBondContact O-N 3.12Å
140	K	98.3	Very high	95.9	Very high	16 Å²	16	61.9 Å²	61.9	7%	0.07	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.2	-175.3	-174.6	-164.6	168.8	-64.5	0	110.7	L138 G142 F148 L149 R151 F153 Y164 I210 V212	L138-K140 PolarHBondContact O-N 2.89Å; K140-G142 PolarHBondContact O-N 2.89Å; K140-F148 WeakPolarHBondContact O-CA 3.21Å; K140-L149 PolarHBondContact N-O 2.86Å; K140-L149 PolarHBondContact O-N 3.45Å; K140-R151 HydrophobicContact CB-CB 4.27Å; K140-R151 HydrophobicContact CB-CG 3.91Å; K140-R151 HydrophobicContact CD-CG 4.14Å; K140-F153 HydrophobicContact CB-CE2 4.15Å; K140-F153 HydrophobicContact CB-CZ 4.32Å; K140-F153 HydrophobicContact CD-CE2 4.28Å; K140-F153 HydrophobicContact CD-CZ 3.88Å; K140-F153 HydrophobicContact CG-CE2 4.44Å; K140-F153 HydrophobicContact CG-CZ 4.12Å; K140-Y164 HydrophobicContact CD-CD2 4.1Å; K140-Y164 HydrophobicContact CD-CE2 4.01Å; K140-Y164 HydrophobicContact CD-CG 4.46Å; K140-I210 HydrophobicContact CD-CG2 4.33Å; K140-I210 HydrophobicContact CG-CG2 4.08Å; K140-V212 HydrophobicContact CB-CG1 3.95Å; K140-V212 HydrophobicContact CG-CG1 3.86Å
141	R	97.8	Very high	95.9	Very high	57 Å²	57	63.2 Å²	63.2	22%	0.215	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	130.4	171.7	-163.3	174.6	172.1	67.2	2	111.1	G146 Q147 F148 F211	R141-G146 VanDerWaalsContact NH1-CA 3.29Å; R141-G146 PolarHBondContact NH1-O 2.76Å; R141-Q147 CarbonylContact C-O 3.58Å; R141-Q147 WeakPolarHBondContact CA-O 3.47Å; R141-F148 HydrophobicContact CB-CD1 4.04Å; R141-F148 HydrophobicContact CB-CE1 3.67Å; R141-F148 HydrophobicContact CB-CE2 4.17Å; R141-F148 HydrophobicContact CB-CG 4.45Å; R141-F148 HydrophobicContact CB-CZ 3.73Å; R141-F148 HydrophobicContact CG-CE1 4.47Å; R141-F148 HydrophobicContact CG-CE2 4.09Å; R141-F148 HydrophobicContact CG-CZ 4.06Å; R141-F148 VanDerWaalsContact N-CD1 3.33Å; R141-F211 HydrophobicContact CB-CB 3.93Å; R141-F211 PolarHBondContact N-O 3.02Å
142	G	95.7	Very high	95.9	Very high	19 Å²	19	62.8 Å²	62.8	20%	0.196	31%	0.307	C	S	.	.			trans	-66.2	156	169.2	0	0	0	0	0	111.4	K140 N145 Q147	K140-G142 PolarHBondContact O-N 2.89Å; G142-N145 WeakPolarHBondContact CA-OD1 3.19Å; G142-Q147 PolarHBondContact N-O 2.77Å
143	R	92.3	Very high	96	Very high	143 Å²	143	62 Å²	62	54%	0.54	30%	0.298	S	S	.	.	S	Bend	trans	-65	-49.2	-174.4	-176.8	-167	167.9	168.4	3.2	112	A293	R143-A293 HydrophobicContact CG-CB 3.7Å
144	D	84.6	Confident	96	Very high	136 Å²	136	57 Å²	57	73%	0.727	28%	0.28	S	S	*	.	S	Bend	trans	-119.7	-23.5	-166.8	-47.1	-64.6	0	0	0	112.7
145	N	89.1	Confident	96	Very high	92 Å²	92	56.2 Å²	56.2	49%	0.492	28%	0.277	S	S	.	.	S	Bend	trans	-90.1	-9.5	-175.7	69.6	-5.2	0	0	0	114.2	G142 Q147	G142-N145 WeakPolarHBondContact CA-OD1 3.19Å; N145-Q147 PolarHBondContact O-N 3.4Å; N145-Q147 VanDerWaalsContact O-N 3.08Å; N145-Q147 PolarHBondContact OD1-N 3.22Å; N145-Q147 VanDerWaalsContact OD1-N 3.08Å
146	G	89.7	Confident	96	Very high	25 Å²	25	52.2 Å²	52.2	26%	0.258	26%	0.259	S	S	.	.			trans	61.1	13.8	-177.6	0	0	0	0	0	116.4	R141	R141-G146 VanDerWaalsContact NH1-CA 3.29Å; R141-G146 PolarHBondContact NH1-O 2.76Å
147	Q	95.9	Very high	96	Very high	113 Å²	113	53.9 Å²	53.9	53%	0.528	26%	0.262	S	S	.	.			trans	-90.9	142	177.4	-69	-179.9	-17.3	0	0	110.7	R141 G142 N145	R141-Q147 CarbonylContact C-O 3.58Å; R141-Q147 WeakPolarHBondContact CA-O 3.47Å; G142-Q147 PolarHBondContact N-O 2.77Å; N145-Q147 PolarHBondContact O-N 3.4Å; N145-Q147 VanDerWaalsContact O-N 3.08Å; N145-Q147 PolarHBondContact OD1-N 3.22Å; N145-Q147 VanDerWaalsContact OD1-N 3.08Å
148	F	97.6	Very high	95.9	Very high	44 Å²	44	61.6 Å²	61.6	19%	0.193	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.9	168.4	-75.5	-96.6	0	0	0	109.5	W139 K140 R141 I191 Y213	W139-F148 HydrophobicContact CB-CB 4.35Å; W139-F148 HydrophobicContact CB-CD1 4.34Å; W139-F148 HydrophobicContact CE3-CB 4.4Å; W139-F148 WeakPolarHBondContact O-CD1 3.47Å; K140-F148 WeakPolarHBondContact O-CA 3.21Å; R141-F148 HydrophobicContact CB-CD1 4.04Å; R141-F148 HydrophobicContact CB-CE1 3.67Å; R141-F148 HydrophobicContact CB-CE2 4.17Å; R141-F148 HydrophobicContact CB-CG 4.45Å; R141-F148 HydrophobicContact CB-CZ 3.73Å; R141-F148 HydrophobicContact CG-CE1 4.47Å; R141-F148 HydrophobicContact CG-CE2 4.09Å; R141-F148 HydrophobicContact CG-CZ 4.06Å; R141-F148 VanDerWaalsContact N-CD1 3.33Å; F148-I191 HydrophobicContact CE1-CG2 4.44Å; F148-I191 HydrophobicContact CZ-CG2 3.9Å; F148-Y213 HydrophobicContact CB-CE1 3.96Å; F148-Y213 AromaticContact CD1-CD1 3.58Å; F148-Y213 HydrophobicContact CD1-CD1 3.58Å; F148-Y213 AromaticContact CD1-CE1 3.37Å; F148-Y213 HydrophobicContact CD1-CE1 3.37Å; F148-Y213 HydrophobicContact CD2-CE1 4.23Å; F148-Y213 AromaticContact CE1-CD1 3.62Å; F148-Y213 HydrophobicContact CE1-CD1 3.62Å; F148-Y213 AromaticContact CE1-CE1 3.83Å; F148-Y213 HydrophobicContact CE1-CE1 3.83Å; F148-Y213 HydrophobicContact CG-CD1 4.26Å; F148-Y213 AromaticContact CG-CE1 3.6Å; F148-Y213 HydrophobicContact CG-CE1 3.6Å; F148-Y213 HydrophobicContact CZ-CD1 4.34Å; F148-Y213 HydrophobicContact CZ-CE1 4.43Å
149	L	96.5	Very high	95.9	Very high	61 Å²	61	66.6 Å²	66.6	32%	0.319	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.3	178.1	-61.5	171.8	0	0	0	109.2	K140 R151	K140-L149 PolarHBondContact N-O 2.86Å; K140-L149 PolarHBondContact O-N 3.45Å; L149-R151 VanDerWaalsContact CB-NH1 3.28Å; L149-R151 PolarHBondContact O-N 3.32Å
150	S	97	Very high	95.8	Very high	52 Å²	52	63.4 Å²	63.4	36%	0.364	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128.5	176.7	-176.9	0	0	0	0	110.8	F137	F137-S150 WeakPolarHBondContact CD1-OG 3.27Å
151	R	97.7	Very high	95.8	Very high	62 Å²	62	62.7 Å²	62.7	23%	0.234	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.6	-178.9	-63.6	-67.8	178.4	-98.9	6	109.3	F137 L138 K140 L149 F153 F165	F137-R151 WeakPolarHBondContact CA-O 3.28Å; L138-R151 PolarHBondContact N-O 3.44Å; L138-R151 PolarHBondContact O-N 3.08Å; K140-R151 HydrophobicContact CB-CB 4.27Å; K140-R151 HydrophobicContact CB-CG 3.91Å; K140-R151 HydrophobicContact CD-CG 4.14Å; L149-R151 VanDerWaalsContact CB-NH1 3.28Å; L149-R151 PolarHBondContact O-N 3.32Å; R151-F153 HydrophobicContact CB-CD2 4.33Å; R151-F153 HydrophobicContact CB-CE2 3.92Å; R151-F153 WeakPolarHBondContact O-CD2 3.23Å; R151-F153 PolarHBondContact O-N 2.74Å; R151-F165 WeakPolarHBondContact CD-O 3.41Å
152	K	97.6	Very high	95.9	Very high	48 Å²	48	60 Å²	60	21%	0.209	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.3	171	-176.1	172.8	179.7	172.1	0	108.7	E135 G136 F137 V154 Y164 F165	E135-K152 VanDerWaalsContact CD-CE 3.46Å; E135-K152 WeakPolarHBondContact OE1-CE 3.34Å; E135-K152 IonicContact OE1-NZ 2.81Å; E135-K152 PolarHBondContact OE1-NZ 3.12Å; E135-K152 VanDerWaalsContact OE2-CE 3.27Å; E135-K152 WeakPolarHBondContact OE2-CE 3.38Å; E135-K152 IonicContact OE2-NZ 2.89Å; E135-K152 PolarHBondContact OE2-NZ 3.26Å; G136-K152 CarbonylContact O-C 3.58Å; G136-K152 WeakPolarHBondContact O-CA 3.41Å; F137-K152 HydrophobicContact CD1-CB 4.24Å; F137-K152 HydrophobicContact CE1-CB 3.89Å; F137-K152 HydrophobicContact CZ-CB 4.16Å; K152-V154 HydrophobicContact CG-CG2 4.41Å; K152-Y164 CarbonylContact O-C 3.59Å; K152-Y164 WeakPolarHBondContact O-CA 3.41Å; K152-Y164 WeakPolarHBondContact O-CB 3.41Å; K152-F165 HydrophobicContact CB-CB 4.47Å; K152-F165 HydrophobicContact CB-CD2 4.46Å; K152-F165 HydrophobicContact CG-CD2 4.46Å; K152-F165 PolarHBondContact O-N 3.23Å
153	F	98.5	Very high	96	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.6	168.9	-78.7	-105.1	0	0	0	109.4	E135 G136 L138 K140 R151 L162 K163 Y164 M177 V212 W223	E135-F153 VanDerWaalsContact CA-O 3.25Å; E135-F153 WeakPolarHBondContact CA-O 3.47Å; G136-F153 PolarHBondContact N-O 2.8Å; G136-F153 VanDerWaalsContact N-O 3.09Å; G136-F153 PolarHBondContact O-N 2.91Å; L138-F153 HydrophobicContact CB-CD2 3.78Å; L138-F153 HydrophobicContact CB-CE2 3.83Å; L138-F153 HydrophobicContact CD1-CB 4.45Å; L138-F153 HydrophobicContact CD1-CD1 4.48Å; L138-F153 HydrophobicContact CD1-CD2 3.95Å; L138-F153 HydrophobicContact CD1-CE2 4.28Å; L138-F153 HydrophobicContact CD1-CG 4.06Å; L138-F153 HydrophobicContact CG-CD2 4.13Å; K140-F153 HydrophobicContact CB-CE2 4.15Å; K140-F153 HydrophobicContact CB-CZ 4.32Å; K140-F153 HydrophobicContact CD-CE2 4.28Å; K140-F153 HydrophobicContact CD-CZ 3.88Å; K140-F153 HydrophobicContact CG-CE2 4.44Å; K140-F153 HydrophobicContact CG-CZ 4.12Å; R151-F153 HydrophobicContact CB-CD2 4.33Å; R151-F153 HydrophobicContact CB-CE2 3.92Å; R151-F153 WeakPolarHBondContact O-CD2 3.23Å; R151-F153 PolarHBondContact O-N 2.74Å; F153-L162 HydrophobicContact CD1-CD1 4.14Å; F153-L162 HydrophobicContact CD1-CD2 4.33Å; F153-L162 HydrophobicContact CD1-CG 4.25Å; F153-K163 CarbonylContact C-O 3.55Å; F153-K163 VanDerWaalsContact CA-O 3.28Å; F153-K163 WeakPolarHBondContact CA-O 3.42Å; F153-Y164 HydrophobicContact CE1-CD1 4.21Å; F153-Y164 HydrophobicContact CE1-CG 4.19Å; F153-Y164 HydrophobicContact CZ-CD1 4.41Å; F153-Y164 HydrophobicContact CZ-CG 4.15Å; F153-M177 HydrophobicContact CE1-CE 4.27Å; F153-V212 HydrophobicContact CE1-CG1 4.46Å; F153-V212 HydrophobicContact CE2-CG1 4.12Å; F153-V212 HydrophobicContact CZ-CG1 3.67Å; F153-W223 HydrophobicContact CB-CH2 3.72Å; F153-W223 HydrophobicContact CB-CZ2 4.09Å; F153-W223 HydrophobicContact CB-CZ3 4.26Å
154	V	98.4	Very high	96.3	Very high	10 Å²	10	54.9 Å²	54.9	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	116.4	175	179.9	0	0	0	0	107.8	Y133 R134 E135 K152 L162 K163 F165	Y133-V154 HydrophobicContact CD2-CG1 4.4Å; Y133-V154 HydrophobicContact CE2-CG1 3.52Å; R134-V154 CarbonylContact O-C 3.53Å; R134-V154 WeakPolarHBondContact O-CA 3.46Å; E135-V154 HydrophobicContact CB-CG2 3.91Å; K152-V154 HydrophobicContact CG-CG2 4.41Å; V154-L162 CarbonylContact O-C 3.56Å; V154-K163 PolarHBondContact N-O 2.66Å; V154-K163 PolarHBondContact O-N 3.28Å; V154-F165 HydrophobicContact CB-CE2 4.37Å; V154-F165 HydrophobicContact CG2-CD2 4.45Å; V154-F165 HydrophobicContact CG2-CE2 3.79Å
155	L	98.8	Very high	96.8	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.4	167.5	178.5	66.8	0	0	0	108	Y133 R134 L162 I179 W223 A226 I227 A230	Y133-L155 WeakPolarHBondContact CA-O 3.42Å; R134-L155 HydrophobicContact CB-CB 4.41Å; R134-L155 PolarHBondContact N-O 2.98Å; R134-L155 PolarHBondContact O-N 3.3Å; L155-L162 HydrophobicContact CB-CD1 3.85Å; L155-L162 HydrophobicContact CD1-CB 4.09Å; L155-L162 HydrophobicContact CD1-CD1 4.22Å; L155-I179 HydrophobicContact CD1-CD1 3.49Å; L155-I179 VanDerWaalsContact CD1-CD1 3.49Å; L155-W223 HydrophobicContact CB-CZ3 3.91Å; L155-A226 VanDerWaalsContact CD2-C 3.4Å; L155-A226 HydrophobicContact CD2-CB 3.73Å; L155-A226 WeakPolarHBondContact CD2-O 3.31Å; L155-I227 HydrophobicContact CD2-CG1 4.34Å; L155-A230 HydrophobicContact CD1-CB 4.03Å; L155-A230 HydrophobicContact CD2-CB 4.2Å; L155-A230 HydrophobicContact CG-CB 4.37Å
156	S	98.3	Very high	96.8	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.063	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	117.6	175.4	179.5	0	0	0	0	110	R158 E159 G160 A161	S156-R158 VanDerWaalsContact C-N 3.33Å; S156-E159 PolarHBondContact O-N 3.1Å; S156-E159 PolarHBondContact OG-N 2.69Å; S156-G160 PolarHBondContact O-N 3.09Å; S156-A161 PolarHBondContact N-O 3Å; S156-A161 PolarHBondContact O-N 3.49Å; S156-A161 VanDerWaalsContact O-N 3.08Å
157	E	97.3	Very high	96.5	Very high	55 Å²	55	55.1 Å²	55.1	26%	0.257	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-38.4	172.7	-69.3	-175.3	-174	0	0	111.6	G132 E159 G160 A230 H233	G132-E157 WeakPolarHBondContact CA-OE1 3.34Å; G132-E157 WeakPolarHBondContact O-CB 3.4Å; G132-E157 WeakPolarHBondContact O-CG 3.43Å; G132-E157 PolarHBondContact O-N 3.47Å; E157-E159 PolarHBondContact O-N 2.9Å; E157-G160 PolarHBondContact O-N 2.92Å; E157-A230 HydrophobicContact CG-CB 3.66Å; E157-A230 VanDerWaalsContact OE1-CA 3.32Å; E157-A230 WeakPolarHBondContact OE1-CA 3.15Å; E157-A230 PolarHBondContact OE1-N 2.86Å; E157-H233 IonicContact OE1-CE1 2.63Å; E157-H233 IonicContact OE1-ND1 3.96Å; E157-H233 PolarHBondContact OE1-ND1 3.09Å; E157-H233 IonicContact OE2-CE1 3.21Å; E157-H233 IonicContact OE2-CG 3.75Å; E157-H233 IonicContact OE2-ND1 3.53Å; E157-H233 PolarHBondContact OE2-ND1 3.22Å
158	R	96.8	Very high	95.6	Very high	244 Å²	244	56.1 Å²	56.1	92%	0.921	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-40	176.4	-168.2	-177.2	-157.5	-171.3	7	112.3	S156	S156-R158 VanDerWaalsContact C-N 3.33Å
159	E	97.2	Very high	94.8	Very high	108 Å²	108	61.2 Å²	61.2	51%	0.505	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.6	177.2	-58.5	-177	130.2	0	0	113.1	S156 E157 A161 K163	S156-E159 PolarHBondContact O-N 3.1Å; S156-E159 PolarHBondContact OG-N 2.69Å; E157-E159 PolarHBondContact O-N 2.9Å; E159-A161 VanDerWaalsContact C-N 3.25Å; E159-A161 PolarHBondContact O-N 3.32Å; E159-K163 IonicContact OE1-NZ 2.66Å; E159-K163 PolarHBondContact OE1-NZ 3.02Å; E159-K163 WeakPolarHBondContact OE2-CE 3.31Å; E159-K163 IonicContact OE2-NZ 3.77Å; E159-K163 PolarHBondContact OE2-NZ 3.37Å
160	G	97.8	Very high	94.4	Very high	32 Å²	32	59.5 Å²	59.5	33%	0.33	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	32.4	-177.6	0	0	0	0	0	113.6	S156 E157 I179	S156-G160 PolarHBondContact O-N 3.09Å; E157-G160 PolarHBondContact O-N 2.92Å; G160-I179 VanDerWaalsContact C-CG1 3.44Å; G160-I179 WeakPolarHBondContact O-CG1 3.45Å; G160-I179 PolarHBondContact O-N 3.1Å
161	A	98.3	Very high	93.9	Very high	2 Å²	2	68.3 Å²	68.3	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.3	-173.3	0	0	0	0	0	115.7	S156 E159 K163 V176 M177	S156-A161 PolarHBondContact N-O 3Å; S156-A161 PolarHBondContact O-N 3.49Å; S156-A161 VanDerWaalsContact O-N 3.08Å; E159-A161 VanDerWaalsContact C-N 3.25Å; E159-A161 PolarHBondContact O-N 3.32Å; A161-K163 HydrophobicContact CB-CG 4.31Å; A161-V176 HydrophobicContact CB-CG1 3.58Å; A161-M177 CarbonylContact C-O 3.53Å; A161-M177 VanDerWaalsContact CA-O 3.3Å; A161-M177 WeakPolarHBondContact CA-O 3.34Å
162	L	98.7	Very high	93.7	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.9	157.9	-179.8	69	0	0	0	108.8	F153 V154 L155 M177 L182 I199 W223 I227	F153-L162 HydrophobicContact CD1-CD1 4.14Å; F153-L162 HydrophobicContact CD1-CD2 4.33Å; F153-L162 HydrophobicContact CD1-CG 4.25Å; V154-L162 CarbonylContact O-C 3.56Å; L155-L162 HydrophobicContact CB-CD1 3.85Å; L155-L162 HydrophobicContact CD1-CB 4.09Å; L155-L162 HydrophobicContact CD1-CD1 4.22Å; L162-M177 HydrophobicContact CB-CB 4.45Å; L162-M177 HydrophobicContact CB-CE 4Å; L162-M177 HydrophobicContact CD2-CE 3.62Å; L162-M177 HydrophobicContact CG-CE 3.56Å; L162-M177 PolarHBondContact N-O 3.13Å; L162-M177 WeakPolarHBondContact O-CA 3.4Å; L162-M177 WeakPolarHBondContact O-CB 3.2Å; L162-M177 VanDerWaalsContact O-CE 3.25Å; L162-M177 WeakPolarHBondContact O-CE 3.39Å; L162-M177 PolarHBondContact O-N 3.38Å; L162-L182 HydrophobicContact CB-CD2 3.91Å; L162-L182 HydrophobicContact CD2-CD1 4.42Å; L162-L182 HydrophobicContact CD2-CD2 4.06Å; L162-I199 HydrophobicContact CD2-CD1 3.97Å; L162-I199 HydrophobicContact CD2-CG2 4.44Å; L162-W223 HydrophobicContact CD1-CZ3 4Å; L162-I227 HydrophobicContact CD2-CD1 4.29Å
163	K	98	Very high	93.6	Very high	33 Å²	33	71 Å²	71	14%	0.143	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	153.9	-178.9	-60.6	177.3	178.6	177.8	0	110	F153 V154 E159 A161 F165 P173 A175 V176	F153-K163 CarbonylContact C-O 3.55Å; F153-K163 VanDerWaalsContact CA-O 3.28Å; F153-K163 WeakPolarHBondContact CA-O 3.42Å; V154-K163 PolarHBondContact N-O 2.66Å; V154-K163 PolarHBondContact O-N 3.28Å; E159-K163 IonicContact OE1-NZ 2.66Å; E159-K163 PolarHBondContact OE1-NZ 3.02Å; E159-K163 WeakPolarHBondContact OE2-CE 3.31Å; E159-K163 IonicContact OE2-NZ 3.77Å; E159-K163 PolarHBondContact OE2-NZ 3.37Å; A161-K163 HydrophobicContact CB-CG 4.31Å; K163-F165 HydrophobicContact CB-CE2 4.37Å; K163-P173 HydrophobicContact CB-CB 4.04Å; K163-P173 HydrophobicContact CD-CB 4.3Å; K163-P173 HydrophobicContact CD-CG 4.23Å; K163-P173 HydrophobicContact CG-CB 4.38Å; K163-A175 WeakPolarHBondContact CA-O 3.38Å; K163-V176 HydrophobicContact CD-CG2 4.38Å; K163-V176 HydrophobicContact CG-CB 4.4Å; K163-V176 HydrophobicContact CG-CG1 4.12Å; K163-V176 HydrophobicContact CG-CG2 4.15Å
164	Y	97.8	Very high	93.5	Very high	21 Å²	21	77.2 Å²	77.2	8%	0.082	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.2	164.8	78	-91.3	0	0	0	112.1	K140 K152 F153 K174 A175 M177	K140-Y164 HydrophobicContact CD-CD2 4.1Å; K140-Y164 HydrophobicContact CD-CE2 4.01Å; K140-Y164 HydrophobicContact CD-CG 4.46Å; K152-Y164 CarbonylContact O-C 3.59Å; K152-Y164 WeakPolarHBondContact O-CA 3.41Å; K152-Y164 WeakPolarHBondContact O-CB 3.41Å; F153-Y164 HydrophobicContact CE1-CD1 4.21Å; F153-Y164 HydrophobicContact CE1-CG 4.19Å; F153-Y164 HydrophobicContact CZ-CD1 4.41Å; F153-Y164 HydrophobicContact CZ-CG 4.15Å; Y164-K174 HydrophobicContact CD2-CB 4.14Å; Y164-K174 HydrophobicContact CE2-CB 3.68Å; Y164-K174 HydrophobicContact CE2-CG 3.67Å; Y164-K174 PolarHBondContact O-N 3.42Å; Y164-A175 HydrophobicContact CD1-CB 3.99Å; Y164-A175 HydrophobicContact CE1-CB 3.38Å; Y164-A175 PolarHBondContact N-O 2.72Å; Y164-M177 HydrophobicContact CD1-CE 4.06Å
165	F	96.9	Very high	93.3	Very high	30 Å²	30	77.5 Å²	77.5	13%	0.132	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.5	-176.5	-59.1	-98.2	0	0	0	109.7	R151 K152 V154 K163 K167 A170 P173	R151-F165 WeakPolarHBondContact CD-O 3.41Å; K152-F165 HydrophobicContact CB-CB 4.47Å; K152-F165 HydrophobicContact CB-CD2 4.46Å; K152-F165 HydrophobicContact CG-CD2 4.46Å; K152-F165 PolarHBondContact O-N 3.23Å; V154-F165 HydrophobicContact CB-CE2 4.37Å; V154-F165 HydrophobicContact CG2-CD2 4.45Å; V154-F165 HydrophobicContact CG2-CE2 3.79Å; K163-F165 HydrophobicContact CB-CE2 4.37Å; F165-K167 WeakPolarHBondContact CB-O 3.47Å; F165-A170 HydrophobicContact CB-CB 4.36Å; F165-A170 HydrophobicContact CD1-CB 4.11Å; F165-A170 WeakPolarHBondContact CD1-O 3.46Å; F165-P173 HydrophobicContact CD1-CB 4.35Å; F165-P173 HydrophobicContact CE1-CB 3.92Å; F165-P173 HydrophobicContact CE2-CB 4.5Å; F165-P173 HydrophobicContact CZ-CB 3.99Å
166	N	87.8	Confident	93.2	Very high	72 Å²	72	80.9 Å²	80.9	39%	0.385	39%	0.388	S	S	.	.	S	Bend	trans	-77.2	-26.1	178.9	62.1	-14.6	0	0	0	112.9	K174	N166-K174 HydrophobicContact CB-CB 4.23Å; N166-K174 HydrophobicContact CB-CG 4.35Å
167	K	83.2	Confident	93.2	Very high	155 Å²	155	80.5 Å²	80.5	67%	0.674	39%	0.385	S	S	*	.	S	Bend	trans	-132.8	153.2	176.5	-60.3	-177.8	178.9	-176.6	0	108.4	F165 D169 A170	F165-K167 WeakPolarHBondContact CB-O 3.47Å; K167-D169 VanDerWaalsContact C-N 3.35Å; K167-D169 PolarHBondContact O-N 2.85Å; K167-A170 HydrophobicContact CB-CB 4.32Å; K167-A170 WeakPolarHBondContact O-CB 3.33Å; K167-A170 PolarHBondContact O-N 2.83Å
168	Q	76.9	Confident	93.2	Very high	134 Å²	134	84.3 Å²	84.3	63%	0.626	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-41	-177.8	-177.4	165.9	-2.6	0	0	112.5	F137 A170	F137-Q168 HydrophobicContact CZ-CG 4.05Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; Q168-A170 PolarHBondContact O-N 2.8Å
169	D	82.5	Confident	93.2	Very high	151 Å²	151	72.9 Å²	72.9	81%	0.807	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	15.7	-177.4	-45.8	-52.8	0	0	0	113.4	K167 R171	K167-D169 VanDerWaalsContact C-N 3.35Å; K167-D169 PolarHBondContact O-N 2.85Å; D169-R171 PolarHBondContact O-N 3.19Å
170	A	86.3	Confident	93.1	Very high	26 Å²	26	72.7 Å²	72.7	22%	0.215	36%	0.357	C	S	.	.			trans	-68.2	124.4	177.7	0	0	0	0	0	110	F165 K167 Q168	F165-A170 HydrophobicContact CB-CB 4.36Å; F165-A170 HydrophobicContact CD1-CB 4.11Å; F165-A170 WeakPolarHBondContact CD1-O 3.46Å; K167-A170 HydrophobicContact CB-CB 4.32Å; K167-A170 WeakPolarHBondContact O-CB 3.33Å; K167-A170 PolarHBondContact O-N 2.83Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; Q168-A170 PolarHBondContact O-N 2.8Å
171	R	86.4	Confident	92.9	Very high	236 Å²	236	73 Å²	73	89%	0.891	35%	0.352	S	S	*	.	S	Bend	trans	-65.8	-41.5	175.3	-66.4	-175.7	-178.9	-176.1	-0.4	111.7	D169	D169-R171 PolarHBondContact O-N 3.19Å
172	D	93.5	Very high	92.8	Very high	127 Å²	127	72.9 Å²	72.9	68%	0.679	35%	0.352	S	S	*	.	S	Bend	trans	-104	138	-176.5	-60	-64.6	0	0	0	112
173	P	96.4	Very high	92.8	Very high	39 Å²	39	72.9 Å²	72.9	25%	0.253	35%	0.352	S	S	.	.			trans	-66.2	140.3	175.9	28.7	-34.9	0	0	0	110.7	K163 F165 A175 V176	K163-P173 HydrophobicContact CB-CB 4.04Å; K163-P173 HydrophobicContact CD-CB 4.3Å; K163-P173 HydrophobicContact CD-CG 4.23Å; K163-P173 HydrophobicContact CG-CB 4.38Å; F165-P173 HydrophobicContact CD1-CB 4.35Å; F165-P173 HydrophobicContact CE1-CB 3.92Å; F165-P173 HydrophobicContact CE2-CB 4.5Å; F165-P173 HydrophobicContact CZ-CB 3.99Å; P173-A175 VanDerWaalsContact C-N 3.27Å; P173-A175 PolarHBondContact O-N 3.26Å; P173-V176 HydrophobicContact CB-CG2 4.14Å; P173-V176 HydrophobicContact CG-CG2 3.52Å
174	K	95.6	Very high	92.8	Very high	133 Å²	133	71.3 Å²	71.3	58%	0.578	35%	0.345	S	S	*	.	S	Bend	trans	-68.2	-30.3	175	179.9	57.3	-176	166.8	0	111.8	Y164 N166	Y164-K174 HydrophobicContact CD2-CB 4.14Å; Y164-K174 HydrophobicContact CE2-CB 3.68Å; Y164-K174 HydrophobicContact CE2-CG 3.67Å; Y164-K174 PolarHBondContact O-N 3.42Å; N166-K174 HydrophobicContact CB-CB 4.23Å; N166-K174 HydrophobicContact CB-CG 4.35Å
175	A	95.8	Very high	92.8	Very high	16 Å²	16	70.4 Å²	70.4	13%	0.132	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.3	168.5	0	0	0	0	0	110.7	K163 Y164 P173	K163-A175 WeakPolarHBondContact CA-O 3.38Å; Y164-A175 HydrophobicContact CD1-CB 3.99Å; Y164-A175 HydrophobicContact CE1-CB 3.38Å; Y164-A175 PolarHBondContact N-O 2.72Å; P173-A175 VanDerWaalsContact C-N 3.27Å; P173-A175 PolarHBondContact O-N 3.26Å
176	V	96.6	Very high	92.9	Very high	75 Å²	75	69.8 Å²	69.8	46%	0.455	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.6	173	-175.9	0	0	0	0	106.9	A161 K163 P173	A161-V176 HydrophobicContact CB-CG1 3.58Å; K163-V176 HydrophobicContact CD-CG2 4.38Å; K163-V176 HydrophobicContact CG-CB 4.4Å; K163-V176 HydrophobicContact CG-CG1 4.12Å; K163-V176 HydrophobicContact CG-CG2 4.15Å; P173-V176 HydrophobicContact CB-CG2 4.14Å; P173-V176 HydrophobicContact CG-CG2 3.52Å
177	M	97.8	Very high	93.4	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110	-176	-57	169.2	-76	0	0	108.2	F153 A161 L162 Y164 L182 Y201 I210	F153-M177 HydrophobicContact CE1-CE 4.27Å; A161-M177 CarbonylContact C-O 3.53Å; A161-M177 VanDerWaalsContact CA-O 3.3Å; A161-M177 WeakPolarHBondContact CA-O 3.34Å; L162-M177 HydrophobicContact CB-CB 4.45Å; L162-M177 HydrophobicContact CB-CE 4Å; L162-M177 HydrophobicContact CD2-CE 3.62Å; L162-M177 HydrophobicContact CG-CE 3.56Å; L162-M177 PolarHBondContact N-O 3.13Å; L162-M177 WeakPolarHBondContact O-CA 3.4Å; L162-M177 WeakPolarHBondContact O-CB 3.2Å; L162-M177 VanDerWaalsContact O-CE 3.25Å; L162-M177 WeakPolarHBondContact O-CE 3.39Å; L162-M177 PolarHBondContact O-N 3.38Å; Y164-M177 HydrophobicContact CD1-CE 4.06Å; M177-L182 HydrophobicContact CB-CD1 3.93Å; M177-Y201 HydrophobicContact CB-CD1 4.27Å; M177-Y201 HydrophobicContact CB-CD2 4.11Å; M177-Y201 HydrophobicContact CB-CG 3.96Å; M177-Y201 HydrophobicContact CG-CD1 3.6Å; M177-Y201 HydrophobicContact CG-CD2 3.84Å; M177-Y201 HydrophobicContact CG-CE1 3.61Å; M177-Y201 HydrophobicContact CG-CE2 3.85Å; M177-Y201 HydrophobicContact CG-CG 3.72Å; M177-Y201 HydrophobicContact SD-CD1 3.55Å; M177-Y201 VanDerWaalsContact SD-CD1 3.55Å; M177-Y201 HydrophobicContact SD-CE1 3.54Å; M177-Y201 VanDerWaalsContact SD-CE1 3.54Å; M177-Y201 HydrophobicContact SD-CG 4.23Å; M177-I210 HydrophobicContact SD-CG1 4.3Å
178	K	97.3	Very high	94.1	Very high	135 Å²	135	61.8 Å²	61.8	59%	0.587	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	133.2	-177.8	-65.2	-175.2	177.3	-174.5	0	111.1	E180 T181 L182	K178-E180 PolarHBondContact O-N 3.14Å; K178-T181 PolarHBondContact O-N 2.91Å; K178-T181 VanDerWaalsContact O-N 3.14Å; K178-T181 PolarHBondContact O-OG1 2.88Å; K178-L182 PolarHBondContact O-N 3.41Å
179	I	97.8	Very high	95.1	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36.7	179.9	-64.6	-61.3	0	0	0	112.1	L155 G160 T181 L182 A230 R231 Y234	L155-I179 HydrophobicContact CD1-CD1 3.49Å; L155-I179 VanDerWaalsContact CD1-CD1 3.49Å; G160-I179 VanDerWaalsContact C-CG1 3.44Å; G160-I179 WeakPolarHBondContact O-CG1 3.45Å; G160-I179 PolarHBondContact O-N 3.1Å; I179-T181 PolarHBondContact O-N 3.43Å; I179-T181 VanDerWaalsContact O-N 3.13Å; I179-L182 HydrophobicContact CD1-CD2 3.93Å; I179-L182 PolarHBondContact O-N 2.83Å; I179-A230 HydrophobicContact CD1-CB 3.9Å; I179-A230 HydrophobicContact CG1-CB 4.33Å; I179-A230 HydrophobicContact CG2-CB 4.36Å; I179-A230 WeakPolarHBondContact CG2-O 3.45Å; I179-R231 HydrophobicContact CG2-CB 4.5Å; I179-R231 HydrophobicContact CG2-CG 4.07Å; I179-R231 WeakPolarHBondContact O-CD 3.45Å; I179-R231 PolarHBondContact O-NH1 2.92Å; I179-Y234 HydrophobicContact CG2-CG 4.22Å
180	E	94.2	Very high	95.8	Very high	105 Å²	105	54.4 Å²	54.4	49%	0.491	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-47.5	-40.9	175.7	172.2	178.9	-166.9	0	0	114.2	K178 R231 Y234	K178-E180 PolarHBondContact O-N 3.14Å; E180-R231 PolarHBondContact O-NH1 3.38Å; E180-Y234 HydrophobicContact CB-CE1 3.99Å; E180-Y234 HydrophobicContact CB-CE2 3.9Å; E180-Y234 HydrophobicContact CG-CE1 4.18Å; E180-Y234 HydrophobicContact CG-CE2 4.48Å; E180-Y234 WeakPolarHBondContact CG-OH 3.46Å
181	T	92.9	Very high	96.4	Very high	37 Å²	37	53.8 Å²	53.8	23%	0.227	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-107.2	-3.7	-174.1	69.1	0	0	0	0	113.2	K178 I179 L202	K178-T181 PolarHBondContact O-N 2.91Å; K178-T181 VanDerWaalsContact O-N 3.14Å; K178-T181 PolarHBondContact O-OG1 2.88Å; I179-T181 PolarHBondContact O-N 3.43Å; I179-T181 VanDerWaalsContact O-N 3.13Å; T181-L202 HydrophobicContact CG2-CB 4.1Å; T181-L202 HydrophobicContact CG2-CD1 3.99Å; T181-L202 HydrophobicContact CG2-CG 4.25Å; T181-L202 PolarHBondContact OG1-N 2.69Å
182	L	96.9	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.266	C	S	.	.			trans	-72.6	136.1	-176	-162.3	69.8	0	0	0	110.2	L162 M177 K178 I179 I199 T200 I227 R231	L162-L182 HydrophobicContact CB-CD2 3.91Å; L162-L182 HydrophobicContact CD2-CD1 4.42Å; L162-L182 HydrophobicContact CD2-CD2 4.06Å; M177-L182 HydrophobicContact CB-CD1 3.93Å; K178-L182 PolarHBondContact O-N 3.41Å; I179-L182 HydrophobicContact CD1-CD2 3.93Å; I179-L182 PolarHBondContact O-N 2.83Å; L182-I199 HydrophobicContact CD1-CG2 3.49Å; L182-I199 VanDerWaalsContact CD1-CG2 3.49Å; L182-I199 HydrophobicContact CG-CG2 4.27Å; L182-T200 CarbonylContact C-O 3.57Å; L182-T200 WeakPolarHBondContact CA-O 3.46Å; L182-I227 HydrophobicContact CD2-CG1 4.4Å; L182-I227 HydrophobicContact CD2-CG2 3.89Å; L182-R231 PolarHBondContact O-NE 3.17Å
183	N	98.1	Very high	97.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155	166.3	-173.1	34.3	0	0	0	109.3	I199 T200 T252 R253	N183-I199 CarbonylContact O-C 3.44Å; N183-I199 WeakPolarHBondContact O-CA 3.46Å; N183-T200 WeakPolarHBondContact CB-OG1 3.31Å; N183-T200 PolarHBondContact N-O 2.98Å; N183-T200 PolarHBondContact O-N 3.45Å; N183-T252 WeakPolarHBondContact OD1-CA 3.25Å; N183-R253 PolarHBondContact ND2-O 2.87Å; N183-R253 PolarHBondContact OD1-N 2.86Å; N183-R253 PolarHBondContact OD1-O 3.3Å
184	A	98.5	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	136.2	177.3	0	0	0	0	0	109.6	L197 Q198 I199 F224 I227 T252	A184-L197 HydrophobicContact CB-CD1 4.25Å; A184-L197 HydrophobicContact CB-CD2 4.2Å; A184-L197 HydrophobicContact CB-CG 4.46Å; A184-Q198 CarbonylContact C-O 3.59Å; A184-Q198 WeakPolarHBondContact CA-O 3.44Å; A184-I199 HydrophobicContact CB-CG1 4.35Å; A184-F224 HydrophobicContact CB-CD2 4.02Å; A184-F224 HydrophobicContact CB-CE2 4.29Å; A184-I227 HydrophobicContact CB-CD1 4.27Å; A184-I227 HydrophobicContact CB-CG2 4.26Å; A184-T252 HydrophobicContact CB-CG2 4.14Å; A184-T252 WeakPolarHBondContact O-CB 3.35Å
185	T	98.5	Very high	97.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	137.4	177.2	178.2	0	0	0	0	110	Q187 Q198 N254 F255	T185-Q187 HydrophobicContact CG2-CG 4.01Å; T185-Q187 PolarHBondContact O-N 3.15Å; T185-Q198 HydrophobicContact CG2-CB 4.34Å; T185-Q198 PolarHBondContact N-O 3.34Å; T185-Q198 PolarHBondContact O-N 3.42Å; T185-N254 PolarHBondContact OG1-OD1 3.18Å; T185-F255 HydrophobicContact CG2-CD2 3.99Å; T185-F255 HydrophobicContact CG2-CE1 4.47Å; T185-F255 HydrophobicContact CG2-CE2 3.54Å; T185-F255 HydrophobicContact CG2-CZ 3.82Å
186	F	98.7	Very high	97.5	Very high	17 Å²	17	38 Å²	38	8%	0.075	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.8	178.1	-83.9	-76.8	0	0	0	110.3	L105 L106 P188 G196 L197 M220 V221 F224	L105-F186 HydrophobicContact CD2-CD1 3.64Å; L105-F186 HydrophobicContact CD2-CE1 3.22Å; L105-F186 HydrophobicContact CD2-CG 4.48Å; L105-F186 HydrophobicContact CD2-CZ 3.77Å; L106-F186 HydrophobicContact CD1-CB 4.46Å; L106-F186 HydrophobicContact CD1-CD2 3.83Å; L106-F186 HydrophobicContact CD1-CG 4.45Å; L106-F186 HydrophobicContact CD2-CD2 3.72Å; L106-F186 HydrophobicContact CD2-CE2 3.6Å; L106-F186 HydrophobicContact CG-CD2 3.78Å; L106-F186 HydrophobicContact CG-CE2 4.1Å; L106-F186 HydrophobicContact CG-CG 4.45Å; F186-P188 VanDerWaalsContact C-CD 3.45Å; F186-G196 WeakPolarHBondContact CD1-O 3.36Å; F186-L197 HydrophobicContact CD1-CB 4.35Å; F186-L197 HydrophobicContact CD1-CD1 4.04Å; F186-L197 HydrophobicContact CD2-CD1 3.94Å; F186-L197 HydrophobicContact CE1-CB 4.24Å; F186-L197 HydrophobicContact CE1-CD1 4.11Å; F186-L197 HydrophobicContact CE2-CD1 4.04Å; F186-L197 HydrophobicContact CG-CD1 3.96Å; F186-L197 HydrophobicContact CZ-CD1 4.13Å; F186-M220 HydrophobicContact CE1-CG 3.6Å; F186-M220 HydrophobicContact CZ-CG 3.95Å; F186-V221 HydrophobicContact CE2-CG2 4.38Å; F186-V221 HydrophobicContact CZ-CG2 3.98Å; F186-F224 HydrophobicContact CD2-CD1 4.32Å; F186-F224 HydrophobicContact CD2-CD2 4.5Å; F186-F224 HydrophobicContact CD2-CG 4.28Å; F186-F224 HydrophobicContact CE2-CB 3.7Å; F186-F224 AromaticContact CE2-CD1 3.7Å; F186-F224 HydrophobicContact CE2-CD1 3.7Å; F186-F224 HydrophobicContact CE2-CD2 4.19Å; F186-F224 HydrophobicContact CE2-CE1 4.3Å; F186-F224 AromaticContact CE2-CG 3.6Å; F186-F224 HydrophobicContact CE2-CG 3.6Å; F186-F224 HydrophobicContact CZ-CB 4.03Å; F186-F224 HydrophobicContact CZ-CG 4.42Å
187	Q	98.4	Very high	97.6	Very high	25 Å²	25	34.5 Å²	34.5	12%	0.117	21%	0.211	C	C	.	.			trans	-135.3	53	-172.1	-72.9	-71.3	-11.9	0	0	111.3	T185 A189 K190 I191 G196 Q198 E258	T185-Q187 HydrophobicContact CG2-CG 4.01Å; T185-Q187 PolarHBondContact O-N 3.15Å; Q187-A189 PolarHBondContact O-N 3.26Å; Q187-K190 HydrophobicContact CB-CB 4.26Å; Q187-K190 VanDerWaalsContact CD-NZ 3.29Å; Q187-K190 PolarHBondContact O-N 3.11Å; Q187-K190 VanDerWaalsContact OE1-CE 3.23Å; Q187-I191 HydrophobicContact CB-CD1 3.86Å; Q187-I191 HydrophobicContact CB-CG1 4.24Å; Q187-I191 WeakPolarHBondContact O-CB 3.26Å; Q187-I191 VanDerWaalsContact O-CG1 3.31Å; Q187-I191 WeakPolarHBondContact O-CG1 3.34Å; Q187-I191 PolarHBondContact O-N 2.75Å; Q187-G196 PolarHBondContact N-O 3.47Å; Q187-Q198 HydrophobicContact CB-CB 4.09Å; Q187-Q198 HydrophobicContact CG-CB 3.77Å; Q187-E258 PolarHBondContact NE2-OE2 3.14Å; Q187-E258 PolarHBondContact OE1-OE2 3.41Å
188	P	98	Very high	97.7	Very high	34 Å²	34	34.6 Å²	34.6	22%	0.221	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-41.2	-167.5	24.5	-34.6	0	0	0	113.4	C103 F186 G192 N193	C103-P188 HydrophobicContact CB-CG 3.97Å; F186-P188 VanDerWaalsContact C-CD 3.45Å; P188-G192 WeakPolarHBondContact O-CA 3.24Å; P188-G192 PolarHBondContact O-N 3.16Å; P188-N193 WeakPolarHBondContact CA-O 3.45Å; P188-N193 WeakPolarHBondContact CB-O 3.21Å; P188-N193 PolarHBondContact O-N 2.89Å; P188-N193 VanDerWaalsContact O-N 3.09Å
189	A	97.3	Very high	97.7	Very high	98 Å²	98	28.2 Å²	28.2	81%	0.81	18%	0.184	S	C	*	.	H	α-helix	trans	-65	-46.1	178.2	0	0	0	0	0	111.8	Q187 I191 G192	Q187-A189 PolarHBondContact O-N 3.26Å; A189-I191 PolarHBondContact O-N 3.22Å; A189-G192 PolarHBondContact O-N 3.17Å
190	K	97.5	Very high	97.7	Very high	32 Å²	32	28.2 Å²	28.2	14%	0.139	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-40.9	178.6	-173.3	-171	-57	168	0	112.3	Q187 F211 E258 P290 L291	Q187-K190 HydrophobicContact CB-CB 4.26Å; Q187-K190 VanDerWaalsContact CD-NZ 3.29Å; Q187-K190 PolarHBondContact O-N 3.11Å; Q187-K190 VanDerWaalsContact OE1-CE 3.23Å; K190-F211 HydrophobicContact CD-CE1 4.34Å; K190-E258 WeakPolarHBondContact CE-OE2 3.3Å; K190-E258 IonicContact NZ-OE1 3.02Å; K190-E258 PolarHBondContact NZ-OE1 3.47Å; K190-E258 IonicContact NZ-OE2 2.78Å; K190-E258 PolarHBondContact NZ-OE2 3.4Å; K190-P290 HydrophobicContact CD-CB 4.15Å; K190-P290 HydrophobicContact CG-CB 3.84Å; K190-L291 HydrophobicContact CD-CD2 4.48Å; K190-L291 HydrophobicContact CG-CD2 4.03Å
191	I	98.1	Very high	97.8	Very high	13 Å²	13	24 Å²	24	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-81.4	-21.4	-176.9	-66.5	168.6	0	0	0	111.7	F148 Q187 A189 N193 F211 L291	F148-I191 HydrophobicContact CE1-CG2 4.44Å; F148-I191 HydrophobicContact CZ-CG2 3.9Å; Q187-I191 HydrophobicContact CB-CD1 3.86Å; Q187-I191 HydrophobicContact CB-CG1 4.24Å; Q187-I191 WeakPolarHBondContact O-CB 3.26Å; Q187-I191 VanDerWaalsContact O-CG1 3.31Å; Q187-I191 WeakPolarHBondContact O-CG1 3.34Å; Q187-I191 PolarHBondContact O-N 2.75Å; A189-I191 PolarHBondContact O-N 3.22Å; I191-N193 HydrophobicContact CG2-CB 4.13Å; I191-F211 HydrophobicContact CD1-CB 4.34Å; I191-F211 HydrophobicContact CD1-CD1 3.92Å; I191-F211 HydrophobicContact CG1-CB 4.33Å; I191-F211 HydrophobicContact CG1-CD1 3.76Å; I191-F211 HydrophobicContact CG1-CG 4.43Å; I191-L291 HydrophobicContact CG1-CD2 4.2Å
192	G	97.7	Very high	97.7	Very high	69 Å²	69	25.1 Å²	25.1	71%	0.711	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	28.4	-173.9	0	0	0	0	0	112.7	P188 A189	P188-G192 WeakPolarHBondContact O-CA 3.24Å; P188-G192 PolarHBondContact O-N 3.16Å; A189-G192 PolarHBondContact O-N 3.17Å
193	N	98.3	Very high	97.3	Very high	39 Å²	39	29.3 Å²	29.3	21%	0.209	19%	0.186	C	C	.	.	S	Bend	trans	-144.9	131.1	178.8	-171.4	-72.7	0	0	0	110.4	P188 I191 C195 G196 Y213	P188-N193 WeakPolarHBondContact CA-O 3.45Å; P188-N193 WeakPolarHBondContact CB-O 3.21Å; P188-N193 PolarHBondContact O-N 2.89Å; P188-N193 VanDerWaalsContact O-N 3.09Å; I191-N193 HydrophobicContact CG2-CB 4.13Å; N193-C195 PolarHBondContact O-N 2.81Å; N193-C195 VanDerWaalsContact O-N 3.08Å; N193-C195 WeakPolarHBondContact OD1-CA 3.37Å; N193-C195 WeakPolarHBondContact OD1-CB 3.43Å; N193-C195 PolarHBondContact OD1-N 2.8Å; N193-G196 PolarHBondContact O-N 2.87Å; N193-Y213 HydrophobicContact CB-CD1 4.42Å; N193-Y213 HydrophobicContact CB-CG 4.42Å
194	P	98.1	Very high	96.7	Very high	100 Å²	100	36 Å²	36	65%	0.649	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.8	179.9	-26.3	35.4	0	0	0	114.8
195	C	98.6	Very high	95.9	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.081	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	16.9	177.3	-60	0	0	0	0	113.1	L105 N193 L197 Y213 H214 M220	L105-C195 HydrophobicContact CD2-CB 4.44Å; N193-C195 PolarHBondContact O-N 2.81Å; N193-C195 VanDerWaalsContact O-N 3.08Å; N193-C195 WeakPolarHBondContact OD1-CA 3.37Å; N193-C195 WeakPolarHBondContact OD1-CB 3.43Å; N193-C195 PolarHBondContact OD1-N 2.8Å; C195-L197 PolarHBondContact O-N 2.92Å; C195-Y213 WeakPolarHBondContact O-CB 3.36Å; C195-H214 VanDerWaalsContact CB-O 3.23Å; C195-H214 WeakPolarHBondContact CB-O 3.04Å; C195-M220 HydrophobicContact CB-CB 4.25Å; C195-M220 HydrophobicContact CB-CG 4.11Å; C195-M220 VanDerWaalsContact O-CG 3.27Å; C195-M220 WeakPolarHBondContact O-CG 3.35Å
196	G	98.7	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.243	C	C	.	.			trans	-66	118.2	179.9	0	0	0	0	0	112.4	F186 Q187 N193	F186-G196 WeakPolarHBondContact CD1-O 3.36Å; Q187-G196 PolarHBondContact N-O 3.47Å; N193-G196 PolarHBondContact O-N 2.87Å
197	L	98.9	Very high	95.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129	171.6	-175	77.8	0	0	0	110	A184 F186 C195 I199 V212 M220 F224	A184-L197 HydrophobicContact CB-CD1 4.25Å; A184-L197 HydrophobicContact CB-CD2 4.2Å; A184-L197 HydrophobicContact CB-CG 4.46Å; F186-L197 HydrophobicContact CD1-CB 4.35Å; F186-L197 HydrophobicContact CD1-CD1 4.04Å; F186-L197 HydrophobicContact CD2-CD1 3.94Å; F186-L197 HydrophobicContact CE1-CB 4.24Å; F186-L197 HydrophobicContact CE1-CD1 4.11Å; F186-L197 HydrophobicContact CE2-CD1 4.04Å; F186-L197 HydrophobicContact CG-CD1 3.96Å; F186-L197 HydrophobicContact CZ-CD1 4.13Å; C195-L197 PolarHBondContact O-N 2.92Å; L197-I199 HydrophobicContact CD2-CD1 4.09Å; L197-I199 HydrophobicContact CD2-CG1 3.82Å; L197-I199 HydrophobicContact CG-CG1 4.24Å; L197-V212 HydrophobicContact CB-CG2 4.06Å; L197-V212 HydrophobicContact CD2-CG2 4.38Å; L197-V212 PolarHBondContact N-O 2.83Å; L197-V212 PolarHBondContact O-N 3.36Å; L197-M220 HydrophobicContact CB-CE 3.5Å; L197-M220 VanDerWaalsContact CB-CE 3.5Å; L197-M220 HydrophobicContact CB-SD 4.2Å; L197-M220 HydrophobicContact CD2-CE 3.33Å; L197-M220 HydrophobicContact CG-CE 3.98Å; L197-F224 HydrophobicContact CD1-CD2 3.99Å
198	Q	98.8	Very high	95.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.8	168.5	-178.6	174.1	-9.7	0	0	108.8	A184 T185 Q187 T200 N209 F211	A184-Q198 CarbonylContact C-O 3.59Å; A184-Q198 WeakPolarHBondContact CA-O 3.44Å; T185-Q198 HydrophobicContact CG2-CB 4.34Å; T185-Q198 PolarHBondContact N-O 3.34Å; T185-Q198 PolarHBondContact O-N 3.42Å; Q187-Q198 HydrophobicContact CB-CB 4.09Å; Q187-Q198 HydrophobicContact CG-CB 3.77Å; Q198-T200 HydrophobicContact CG-CG2 4.07Å; Q198-N209 PolarHBondContact NE2-OD1 3.43Å; Q198-F211 HydrophobicContact CB-CD1 4.09Å; Q198-F211 HydrophobicContact CB-CE1 4.14Å; Q198-F211 HydrophobicContact CG-CD1 4Å; Q198-F211 HydrophobicContact CG-CE1 3.66Å; Q198-F211 HydrophobicContact CG-CZ 4.48Å
199	I	98.7	Very high	95.1	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.7	171.1	-61.1	172.6	0	0	0	107.7	L162 L182 N183 A184 L197 I210 V212 I227	L162-I199 HydrophobicContact CD2-CD1 3.97Å; L162-I199 HydrophobicContact CD2-CG2 4.44Å; L182-I199 HydrophobicContact CD1-CG2 3.49Å; L182-I199 VanDerWaalsContact CD1-CG2 3.49Å; L182-I199 HydrophobicContact CG-CG2 4.27Å; N183-I199 CarbonylContact O-C 3.44Å; N183-I199 WeakPolarHBondContact O-CA 3.46Å; A184-I199 HydrophobicContact CB-CG1 4.35Å; L197-I199 HydrophobicContact CD2-CD1 4.09Å; L197-I199 HydrophobicContact CD2-CG1 3.82Å; L197-I199 HydrophobicContact CG-CG1 4.24Å; I199-I210 HydrophobicContact CB-CB 4.25Å; I199-I210 PolarHBondContact N-O 3.01Å; I199-I210 PolarHBondContact O-N 3.45Å; I199-V212 HydrophobicContact CD1-CG2 3.89Å; I199-V212 HydrophobicContact CG1-CG2 4.35Å; I199-I227 HydrophobicContact CD1-CD1 4.12Å
200	T	97.9	Very high	95.1	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.9	173.4	68.5	0	0	0	0	110.5	L182 N183 Q198 T207 R208 N209 F255	L182-T200 CarbonylContact C-O 3.57Å; L182-T200 WeakPolarHBondContact CA-O 3.46Å; N183-T200 WeakPolarHBondContact CB-OG1 3.31Å; N183-T200 PolarHBondContact N-O 2.98Å; N183-T200 PolarHBondContact O-N 3.45Å; Q198-T200 HydrophobicContact CG-CG2 4.07Å; T200-T207 HydrophobicContact CG2-CG2 4.27Å; T200-R208 WeakPolarHBondContact CA-O 3.36Å; T200-N209 VanDerWaalsContact CG2-OD1 3.25Å; T200-N209 WeakPolarHBondContact CG2-OD1 3.28Å; T200-F255 HydrophobicContact CG2-CZ 4.16Å
201	Y	95.5	Very high	95.2	Very high	15 Å²	15	31.6 Å²	31.6	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.5	172.4	71.8	-78.1	0	0	0	109.8	M177 K203 R208 I210	M177-Y201 HydrophobicContact CB-CD1 4.27Å; M177-Y201 HydrophobicContact CB-CD2 4.11Å; M177-Y201 HydrophobicContact CB-CG 3.96Å; M177-Y201 HydrophobicContact CG-CD1 3.6Å; M177-Y201 HydrophobicContact CG-CD2 3.84Å; M177-Y201 HydrophobicContact CG-CE1 3.61Å; M177-Y201 HydrophobicContact CG-CE2 3.85Å; M177-Y201 HydrophobicContact CG-CG 3.72Å; M177-Y201 HydrophobicContact SD-CD1 3.55Å; M177-Y201 VanDerWaalsContact SD-CD1 3.55Å; M177-Y201 HydrophobicContact SD-CE1 3.54Å; M177-Y201 VanDerWaalsContact SD-CE1 3.54Å; M177-Y201 HydrophobicContact SD-CG 4.23Å; Y201-K203 HydrophobicContact CD2-CB 4.37Å; Y201-K203 HydrophobicContact CE2-CB 3.72Å; Y201-K203 HydrophobicContact CE2-CG 4.32Å; Y201-R208 HydrophobicContact CD1-CB 4.05Å; Y201-R208 HydrophobicContact CD1-CG 4.2Å; Y201-R208 HydrophobicContact CE1-CB 3.62Å; Y201-R208 HydrophobicContact CE1-CG 3.37Å; Y201-R208 HydrophobicContact CE2-CB 4.45Å; Y201-R208 PolarHBondContact N-O 2.98Å; Y201-R208 PolarHBondContact O-N 3.05Å; Y201-I210 HydrophobicContact CD1-CG1 4.45Å; Y201-I210 HydrophobicContact CE1-CD1 4.41Å; Y201-I210 HydrophobicContact CE1-CG1 3.98Å
202	L	90.9	Very high	95.2	Very high	61 Å²	61	31 Å²	31	32%	0.319	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.5	175.2	-64.1	179.5	0	0	0	110	T181	T181-L202 HydrophobicContact CG2-CB 4.1Å; T181-L202 HydrophobicContact CG2-CD1 3.99Å; T181-L202 HydrophobicContact CG2-CG 4.25Å; T181-L202 PolarHBondContact OG1-N 2.69Å
203	K	88.6	Confident	95.2	Very high	89 Å²	89	29.9 Å²	29.9	39%	0.387	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.9	168.8	-169.3	-173.2	172.3	-175.2	0	108.5	Y201 N205 S206 R208	Y201-K203 HydrophobicContact CD2-CB 4.37Å; Y201-K203 HydrophobicContact CE2-CB 3.72Å; Y201-K203 HydrophobicContact CE2-CG 4.32Å; K203-N205 PolarHBondContact O-N 2.82Å; K203-N205 VanDerWaalsContact O-N 3.17Å; K203-S206 PolarHBondContact N-O 3.03Å; K203-S206 PolarHBondContact O-N 3.3Å; K203-S206 VanDerWaalsContact O-O 3.06Å; K203-R208 HydrophobicContact CB-CB 4.39Å
204	D	85.3	Confident	95.3	Very high	142 Å²	142	29.9 Å²	29.9	76%	0.759	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.8	-178.3	-47.4	-43.9	0	0	0	111.2	S206	D204-S206 PolarHBondContact O-N 3Å; D204-S206 VanDerWaalsContact O-N 3.12Å
205	N	80.8	Confident	95.3	Very high	51 Å²	51	29.8 Å²	29.8	27%	0.273	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	17.2	-177.4	-156.2	32.5	0	0	0	115.9	K203 H371 K375	K203-N205 PolarHBondContact O-N 2.82Å; K203-N205 VanDerWaalsContact O-N 3.17Å; N205-H371 WeakPolarHBondContact ND2-CB 3.2Å; N205-K375 PolarHBondContact O-NZ 2.92Å
206	S	89.2	Confident	95.3	Very high	26 Å²	26	33 Å²	33	18%	0.182	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.9	167.7	-173	0	0	0	0	110.9	K203 D204 R208 E298	K203-S206 PolarHBondContact N-O 3.03Å; K203-S206 PolarHBondContact O-N 3.3Å; K203-S206 VanDerWaalsContact O-O 3.06Å; D204-S206 PolarHBondContact O-N 3Å; D204-S206 VanDerWaalsContact O-N 3.12Å; S206-R208 PolarHBondContact O-N 3.28Å; S206-E298 VanDerWaalsContact CA-OE1 3.25Å; S206-E298 WeakPolarHBondContact CA-OE1 3.33Å; S206-E298 WeakPolarHBondContact CB-OE1 3.34Å; S206-E298 PolarHBondContact OG-OE1 3.05Å
207	T	93.6	Very high	95.2	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.025	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.1	177.9	-56	0	0	0	0	110.4	T200 R283 M285 E298	T200-T207 HydrophobicContact CG2-CG2 4.27Å; T207-R283 WeakPolarHBondContact OG1-CD 3.49Å; T207-R283 PolarHBondContact OG1-NH1 3.15Å; T207-M285 VanDerWaalsContact CB-SD 3.57Å; T207-M285 HydrophobicContact CG2-SD 3.6Å; T207-M285 PolarHBondContact OG1-SD 3.41Å; T207-E298 PolarHBondContact N-OE1 3.12Å; T207-E298 PolarHBondContact OG1-OE2 2.73Å; T207-E298 VanDerWaalsContact OG1-OE2 3.13Å
208	R	96.1	Very high	95.2	Very high	21 Å²	21	36 Å²	36	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.7	172.4	175	50.8	-178.4	-98.5	10.4	110.1	T200 Y201 K203 S206 I210 A293 Y294	T200-R208 WeakPolarHBondContact CA-O 3.36Å; Y201-R208 HydrophobicContact CD1-CB 4.05Å; Y201-R208 HydrophobicContact CD1-CG 4.2Å; Y201-R208 HydrophobicContact CE1-CB 3.62Å; Y201-R208 HydrophobicContact CE1-CG 3.37Å; Y201-R208 HydrophobicContact CE2-CB 4.45Å; Y201-R208 PolarHBondContact N-O 2.98Å; Y201-R208 PolarHBondContact O-N 3.05Å; K203-R208 HydrophobicContact CB-CB 4.39Å; S206-R208 PolarHBondContact O-N 3.28Å; R208-I210 HydrophobicContact CG-CD1 4.24Å; R208-A293 WeakPolarHBondContact CD-O 3.24Å; R208-Y294 HydrophobicContact CB-CD1 4.47Å; R208-Y294 HydrophobicContact CB-CE1 3.89Å; R208-Y294 HydrophobicContact CG-CE1 4.27Å; R208-Y294 VanDerWaalsContact NH1-CZ 3.3Å; R208-Y294 PolarHBondContact NH1-OH 3.41Å
209	N	97.9	Very high	95.2	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	136.6	169.2	-63.8	-35.6	0	0	0	111.7	Q198 T200 F211 F287 D292 A293	Q198-N209 PolarHBondContact NE2-OD1 3.43Å; T200-N209 VanDerWaalsContact CG2-OD1 3.25Å; T200-N209 WeakPolarHBondContact CG2-OD1 3.28Å; N209-F211 HydrophobicContact CB-CD2 4.49Å; N209-F211 HydrophobicContact CB-CE1 4.46Å; N209-F211 HydrophobicContact CB-CE2 3.63Å; N209-F211 HydrophobicContact CB-CZ 3.63Å; N209-F287 WeakPolarHBondContact ND2-CE1 3.33Å; N209-F287 WeakPolarHBondContact ND2-CZ 3.39Å; N209-D292 PolarHBondContact ND2-O 2.9Å; N209-A293 PolarHBondContact N-O 2.78Å
210	I	98.1	Very high	95.2	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.2	168.1	-57.8	-65.2	0	0	0	107.3	K140 M177 I199 Y201 R208 V212	K140-I210 HydrophobicContact CD-CG2 4.33Å; K140-I210 HydrophobicContact CG-CG2 4.08Å; M177-I210 HydrophobicContact SD-CG1 4.3Å; I199-I210 HydrophobicContact CB-CB 4.25Å; I199-I210 PolarHBondContact N-O 3.01Å; I199-I210 PolarHBondContact O-N 3.45Å; Y201-I210 HydrophobicContact CD1-CG1 4.45Å; Y201-I210 HydrophobicContact CE1-CD1 4.41Å; Y201-I210 HydrophobicContact CE1-CG1 3.98Å; R208-I210 HydrophobicContact CG-CD1 4.24Å; I210-V212 HydrophobicContact CG2-CG1 3.86Å
211	F	98.8	Very high	95.3	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.3	177.7	-54.1	-80.2	0	0	0	108.6	R141 K190 I191 Q198 N209 L291	R141-F211 HydrophobicContact CB-CB 3.93Å; R141-F211 PolarHBondContact N-O 3.02Å; K190-F211 HydrophobicContact CD-CE1 4.34Å; I191-F211 HydrophobicContact CD1-CB 4.34Å; I191-F211 HydrophobicContact CD1-CD1 3.92Å; I191-F211 HydrophobicContact CG1-CB 4.33Å; I191-F211 HydrophobicContact CG1-CD1 3.76Å; I191-F211 HydrophobicContact CG1-CG 4.43Å; Q198-F211 HydrophobicContact CB-CD1 4.09Å; Q198-F211 HydrophobicContact CB-CE1 4.14Å; Q198-F211 HydrophobicContact CG-CD1 4Å; Q198-F211 HydrophobicContact CG-CE1 3.66Å; Q198-F211 HydrophobicContact CG-CZ 4.48Å; N209-F211 HydrophobicContact CB-CD2 4.49Å; N209-F211 HydrophobicContact CB-CE1 4.46Å; N209-F211 HydrophobicContact CB-CE2 3.63Å; N209-F211 HydrophobicContact CB-CZ 3.63Å; F211-L291 HydrophobicContact CD1-CD2 3.72Å; F211-L291 HydrophobicContact CD2-CD2 4.15Å; F211-L291 HydrophobicContact CE1-CD2 3.65Å; F211-L291 HydrophobicContact CE2-CB 4.21Å; F211-L291 HydrophobicContact CE2-CD2 4.1Å; F211-L291 VanDerWaalsContact CE2-O 3.25Å; F211-L291 WeakPolarHBondContact CE2-O 3.36Å; F211-L291 HydrophobicContact CG-CD2 3.96Å; F211-L291 HydrophobicContact CZ-CB 4.44Å; F211-L291 HydrophobicContact CZ-CD2 3.85Å
212	V	98.8	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158	-177.6	-68.1	0	0	0	0	110.5	L138 W139 K140 F153 L197 I199 I210 M220	L138-V212 HydrophobicContact CB-CB 4.29Å; L138-V212 HydrophobicContact CB-CG1 4.41Å; L138-V212 HydrophobicContact CD1-CB 4.32Å; L138-V212 HydrophobicContact CD1-CG2 4.24Å; W139-V212 CarbonylContact O-C 3.58Å; W139-V212 WeakPolarHBondContact O-CA 3.19Å; K140-V212 HydrophobicContact CB-CG1 3.95Å; K140-V212 HydrophobicContact CG-CG1 3.86Å; F153-V212 HydrophobicContact CE1-CG1 4.46Å; F153-V212 HydrophobicContact CE2-CG1 4.12Å; F153-V212 HydrophobicContact CZ-CG1 3.67Å; L197-V212 HydrophobicContact CB-CG2 4.06Å; L197-V212 HydrophobicContact CD2-CG2 4.38Å; L197-V212 PolarHBondContact N-O 2.83Å; L197-V212 PolarHBondContact O-N 3.36Å; I199-V212 HydrophobicContact CD1-CG2 3.89Å; I199-V212 HydrophobicContact CG1-CG2 4.35Å; I210-V212 HydrophobicContact CG2-CG1 3.86Å; V212-M220 HydrophobicContact CG2-CE 4.3Å
213	Y	98.8	Very high	95.8	Very high	46 Å²	46	35.2 Å²	35.2	18%	0.18	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	165.9	163.2	70.1	-92.8	0	0	0	110.3	W139 F148 N193 C195	W139-Y213 HydrophobicContact CB-CD1 3.83Å; W139-Y213 HydrophobicContact CB-CD2 4.02Å; W139-Y213 HydrophobicContact CB-CE1 3.47Å; W139-Y213 VanDerWaalsContact CB-CE1 3.47Å; W139-Y213 HydrophobicContact CB-CE2 3.64Å; W139-Y213 HydrophobicContact CB-CG 4.08Å; W139-Y213 AromaticContact CD1-CE2 3.46Å; W139-Y213 VanDerWaalsContact CD1-CE2 3.46Å; W139-Y213 AromaticContact CD1-CZ 3.87Å; W139-Y213 HydrophobicContact CG-CD2 4.31Å; W139-Y213 HydrophobicContact CG-CE1 4.17Å; W139-Y213 AromaticContact CG-CE2 3.61Å; W139-Y213 HydrophobicContact CG-CE2 3.61Å; W139-Y213 AromaticContact CG-CZ 3.52Å; W139-Y213 PolarHBondContact N-O 2.86Å; W139-Y213 PolarHBondContact O-N 3.12Å; F148-Y213 HydrophobicContact CB-CE1 3.96Å; F148-Y213 AromaticContact CD1-CD1 3.58Å; F148-Y213 HydrophobicContact CD1-CD1 3.58Å; F148-Y213 AromaticContact CD1-CE1 3.37Å; F148-Y213 HydrophobicContact CD1-CE1 3.37Å; F148-Y213 HydrophobicContact CD2-CE1 4.23Å; F148-Y213 AromaticContact CE1-CD1 3.62Å; F148-Y213 HydrophobicContact CE1-CD1 3.62Å; F148-Y213 AromaticContact CE1-CE1 3.83Å; F148-Y213 HydrophobicContact CE1-CE1 3.83Å; F148-Y213 HydrophobicContact CG-CD1 4.26Å; F148-Y213 AromaticContact CG-CE1 3.6Å; F148-Y213 HydrophobicContact CG-CE1 3.6Å; F148-Y213 HydrophobicContact CZ-CD1 4.34Å; F148-Y213 HydrophobicContact CZ-CE1 4.43Å; N193-Y213 HydrophobicContact CB-CD1 4.42Å; N193-Y213 HydrophobicContact CB-CG 4.42Å; C195-Y213 WeakPolarHBondContact O-CB 3.36Å
214	H	98.8	Very high	96.3	Very high	39 Å²	39	31 Å²	31	18%	0.181	17%	0.169	C	C	.	.			trans	-122.5	149.8	164.3	-166	-95.6	0	0	0	109.1	F137 L138 C195 D216 E219 M220	F137-H214 PolarHBondContact O-CD2 2.95Å; L138-H214 HydrophobicContact CD2-CB 3.82Å; C195-H214 VanDerWaalsContact CB-O 3.23Å; C195-H214 WeakPolarHBondContact CB-O 3.04Å; H214-D216 VanDerWaalsContact C-N 3.32Å; H214-D216 WeakPolarHBondContact ND1-CA 3.33Å; H214-D216 VanDerWaalsContact ND1-CB 3.26Å; H214-D216 WeakPolarHBondContact ND1-CB 3.42Å; H214-D216 PolarHBondContact ND1-N 3.42Å; H214-D216 PolarHBondContact ND1-O 3.02Å; H214-E219 HydrophobicContact CB-CB 4.37Å; H214-E219 VanDerWaalsContact ND1-CB 3.31Å; H214-E219 WeakPolarHBondContact ND1-CB 3.5Å; H214-M220 HydrophobicContact CB-CB 4.14Å; H214-M220 HydrophobicContact CB-SD 4.18Å; H214-M220 PolarHBondContact N-SD 3.15Å
215	S	97.7	Very high	96.9	Very high	99 Å²	99	24.3 Å²	24.3	69%	0.692	13%	0.133	S	C	*	.	S	Bend	trans	-70.7	-32.4	178	48.3	0	0	0	0	112
216	D	98.5	Very high	97.8	Very high	80 Å²	80	22.1 Å²	22.1	43%	0.428	12%	0.121	S	C	.	.	S	Bend	trans	-84.2	123.2	169.4	-168.5	-39.2	0	0	0	110.5	H214 K218 E219 M220	H214-D216 VanDerWaalsContact C-N 3.32Å; H214-D216 WeakPolarHBondContact ND1-CA 3.33Å; H214-D216 VanDerWaalsContact ND1-CB 3.26Å; H214-D216 WeakPolarHBondContact ND1-CB 3.42Å; H214-D216 PolarHBondContact ND1-N 3.42Å; H214-D216 PolarHBondContact ND1-O 3.02Å; D216-K218 WeakPolarHBondContact OD1-CA 3.49Å; D216-K218 WeakPolarHBondContact OD1-CB 3.3Å; D216-K218 PolarHBondContact OD1-N 2.92Å; D216-E219 HydrophobicContact CB-CB 4.06Å; D216-E219 HydrophobicContact CB-CG 3.89Å; D216-E219 PolarHBondContact OD1-N 3.31Å; D216-M220 PolarHBondContact O-N 3.15Å
217	A	98.4	Very high	98.3	Very high	23 Å²	23	20.9 Å²	20.9	19%	0.19	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-39.9	177.8	0	0	0	0	0	113.4	L105 Q109 M220 V221	L105-A217 HydrophobicContact CD1-CB 3.32Å; Q109-A217 HydrophobicContact CG-CB 4.2Å; A217-M220 PolarHBondContact O-N 2.92Å; A217-V221 WeakPolarHBondContact O-CG2 3.47Å; A217-V221 PolarHBondContact O-N 2.93Å; A217-V221 VanDerWaalsContact O-N 3.15Å
218	K	98.6	Very high	98.5	Very high	40 Å²	40	21.1 Å²	21.1	17%	0.174	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-51.3	176.7	173.9	176.5	167.2	47.8	0	109.6	E119 D216 M220 V221 D222	E119-K218 IonicContact OE1-NZ 3.84Å; E119-K218 PolarHBondContact OE1-NZ 2.97Å; D216-K218 WeakPolarHBondContact OD1-CA 3.49Å; D216-K218 WeakPolarHBondContact OD1-CB 3.3Å; D216-K218 PolarHBondContact OD1-N 2.92Å; K218-M220 PolarHBondContact O-N 3.38Å; K218-V221 PolarHBondContact O-N 2.94Å; K218-D222 WeakPolarHBondContact CE-OD2 3.37Å; K218-D222 VanDerWaalsContact NZ-CG 3.26Å; K218-D222 IonicContact NZ-OD1 2.82Å; K218-D222 PolarHBondContact NZ-OD1 3.4Å; K218-D222 IonicContact NZ-OD2 3.97Å; K218-D222 PolarHBondContact NZ-OD2 3.19Å; K218-D222 WeakPolarHBondContact O-CB 3.33Å; K218-D222 PolarHBondContact O-N 3.25Å
219	E	98.7	Very high	98.6	Very high	60 Å²	60	20.1 Å²	20.1	28%	0.28	11%	0.11	S	C	.	.	H	α-helix	trans	-55.2	-39.6	-179.4	-74.1	-62.2	115.4	0	0	112.3	R134 H214 D216 W223	R134-E219 IonicContact CZ-OE2 2.93Å; R134-E219 PolarHBondContact NH2-O 3.33Å; R134-E219 IonicContact NH2-OE1 2.93Å; R134-E219 IonicContact NH2-OE2 2.81Å; R134-E219 PolarHBondContact NH2-OE2 2.82Å; H214-E219 HydrophobicContact CB-CB 4.37Å; H214-E219 VanDerWaalsContact ND1-CB 3.31Å; H214-E219 WeakPolarHBondContact ND1-CB 3.5Å; D216-E219 HydrophobicContact CB-CB 4.06Å; D216-E219 HydrophobicContact CB-CG 3.89Å; D216-E219 PolarHBondContact OD1-N 3.31Å; E219-W223 PolarHBondContact O-N 3.19Å
220	M	98.7	Very high	98.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68	-40.1	178.4	-165.5	67.2	-109.5	0	0	112.7	L138 F186 C195 L197 V212 H214 D216 A217 K218 W223 F224	L138-M220 HydrophobicContact CD2-SD 4.23Å; F186-M220 HydrophobicContact CE1-CG 3.6Å; F186-M220 HydrophobicContact CZ-CG 3.95Å; C195-M220 HydrophobicContact CB-CB 4.25Å; C195-M220 HydrophobicContact CB-CG 4.11Å; C195-M220 VanDerWaalsContact O-CG 3.27Å; C195-M220 WeakPolarHBondContact O-CG 3.35Å; L197-M220 HydrophobicContact CB-CE 3.5Å; L197-M220 VanDerWaalsContact CB-CE 3.5Å; L197-M220 HydrophobicContact CB-SD 4.2Å; L197-M220 HydrophobicContact CD2-CE 3.33Å; L197-M220 HydrophobicContact CG-CE 3.98Å; V212-M220 HydrophobicContact CG2-CE 4.3Å; H214-M220 HydrophobicContact CB-CB 4.14Å; H214-M220 HydrophobicContact CB-SD 4.18Å; H214-M220 PolarHBondContact N-SD 3.15Å; D216-M220 PolarHBondContact O-N 3.15Å; A217-M220 PolarHBondContact O-N 2.92Å; K218-M220 PolarHBondContact O-N 3.38Å; M220-W223 HydrophobicContact CE-CB 4.08Å; M220-F224 PolarHBondContact O-N 3.36Å; M220-F224 VanDerWaalsContact O-N 3.12Å
221	V	98.8	Very high	98.7	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.024	11%	0.112	C	C	.	.	H	α-helix	trans	-71.6	-36.5	176.5	173	0	0	0	0	111.3	L105 L106 Q109 F186 A217 K218 F224 N225	L105-V221 HydrophobicContact CD1-CG2 4.23Å; L105-V221 HydrophobicContact CD2-CG2 4.16Å; L105-V221 HydrophobicContact CG-CG2 3.92Å; L106-V221 HydrophobicContact CD2-CG2 4.47Å; Q109-V221 HydrophobicContact CB-CB 4.22Å; Q109-V221 HydrophobicContact CB-CG1 4.2Å; Q109-V221 HydrophobicContact CB-CG2 3.88Å; Q109-V221 HydrophobicContact CG-CB 4.39Å; Q109-V221 HydrophobicContact CG-CG2 3.84Å; F186-V221 HydrophobicContact CE2-CG2 4.38Å; F186-V221 HydrophobicContact CZ-CG2 3.98Å; A217-V221 WeakPolarHBondContact O-CG2 3.47Å; A217-V221 PolarHBondContact O-N 2.93Å; A217-V221 VanDerWaalsContact O-N 3.15Å; K218-V221 PolarHBondContact O-N 2.94Å; V221-F224 WeakPolarHBondContact O-CB 3.48Å; V221-F224 PolarHBondContact O-N 3.06Å; V221-N225 WeakPolarHBondContact CG1-ND2 3.35Å; V221-N225 PolarHBondContact O-N 3.08Å; V221-N225 PolarHBondContact O-ND2 2.65Å
222	D	98.9	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-44.1	172.7	-74.1	12	0	0	0	110.7	Y129 K218 F224 N225 A226	Y129-D222 WeakPolarHBondContact CB-O 3.46Å; Y129-D222 HydrophobicContact CD1-CB 4.08Å; K218-D222 WeakPolarHBondContact CE-OD2 3.37Å; K218-D222 VanDerWaalsContact NZ-CG 3.26Å; K218-D222 IonicContact NZ-OD1 2.82Å; K218-D222 PolarHBondContact NZ-OD1 3.4Å; K218-D222 IonicContact NZ-OD2 3.97Å; K218-D222 PolarHBondContact NZ-OD2 3.19Å; K218-D222 WeakPolarHBondContact O-CB 3.33Å; K218-D222 PolarHBondContact O-N 3.25Å; D222-F224 VanDerWaalsContact C-N 3.33Å; D222-F224 PolarHBondContact O-N 3.49Å; D222-N225 PolarHBondContact O-N 3.37Å; D222-A226 VanDerWaalsContact O-CB 3.26Å; D222-A226 WeakPolarHBondContact O-CB 3.37Å; D222-A226 PolarHBondContact O-N 2.9Å
223	W	98.9	Very high	98.7	Very high	4 Å²	4	24 Å²	24	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-42.7	172.4	-88.8	109.7	0	0	0	112.8	R134 L138 F153 L155 L162 E219 M220 A226 I227	R134-W223 HydrophobicContact CB-CH2 4.32Å; R134-W223 HydrophobicContact CB-CZ3 4.23Å; R134-W223 HydrophobicContact CG-CD2 4.34Å; R134-W223 HydrophobicContact CG-CE3 4.25Å; R134-W223 HydrophobicContact CG-CH2 3.92Å; R134-W223 HydrophobicContact CG-CZ2 4Å; R134-W223 HydrophobicContact CG-CZ3 4.05Å; R134-W223 WeakPolarHBondContact O-CH2 3.46Å; L138-W223 HydrophobicContact CD1-CD2 4.25Å; L138-W223 HydrophobicContact CD1-CG 4.32Å; L138-W223 HydrophobicContact CD2-CG 4.44Å; F153-W223 HydrophobicContact CB-CH2 3.72Å; F153-W223 HydrophobicContact CB-CZ2 4.09Å; F153-W223 HydrophobicContact CB-CZ3 4.26Å; L155-W223 HydrophobicContact CB-CZ3 3.91Å; L162-W223 HydrophobicContact CD1-CZ3 4Å; E219-W223 PolarHBondContact O-N 3.19Å; M220-W223 HydrophobicContact CE-CB 4.08Å; W223-A226 PolarHBondContact O-N 3.09Å; W223-I227 WeakPolarHBondContact O-CG1 3.48Å; W223-I227 PolarHBondContact O-N 3.16Å
224	F	98.9	Very high	98.6	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-45.4	177.7	172	-113.9	0	0	0	112	Y96 L106 A184 F186 L197 M220 V221 D222 I227 R228 T252	Y96-F224 HydrophobicContact CD1-CE1 4.1Å; Y96-F224 AromaticContact CD2-CE1 3.91Å; Y96-F224 HydrophobicContact CD2-CE1 3.91Å; Y96-F224 AromaticContact CD2-CZ 3.94Å; Y96-F224 HydrophobicContact CD2-CZ 3.94Å; Y96-F224 HydrophobicContact CE2-CZ 4.45Å; Y96-F224 AromaticContact CG-CE1 3.57Å; Y96-F224 HydrophobicContact CG-CE1 3.57Å; Y96-F224 HydrophobicContact CG-CZ 4.09Å; L106-F224 HydrophobicContact CD2-CD1 4.18Å; L106-F224 HydrophobicContact CD2-CE1 4.09Å; A184-F224 HydrophobicContact CB-CD2 4.02Å; A184-F224 HydrophobicContact CB-CE2 4.29Å; F186-F224 HydrophobicContact CD2-CD1 4.32Å; F186-F224 HydrophobicContact CD2-CD2 4.5Å; F186-F224 HydrophobicContact CD2-CG 4.28Å; F186-F224 HydrophobicContact CE2-CB 3.7Å; F186-F224 AromaticContact CE2-CD1 3.7Å; F186-F224 HydrophobicContact CE2-CD1 3.7Å; F186-F224 HydrophobicContact CE2-CD2 4.19Å; F186-F224 HydrophobicContact CE2-CE1 4.3Å; F186-F224 AromaticContact CE2-CG 3.6Å; F186-F224 HydrophobicContact CE2-CG 3.6Å; F186-F224 HydrophobicContact CZ-CB 4.03Å; F186-F224 HydrophobicContact CZ-CG 4.42Å; L197-F224 HydrophobicContact CD1-CD2 3.99Å; M220-F224 PolarHBondContact O-N 3.36Å; M220-F224 VanDerWaalsContact O-N 3.12Å; V221-F224 WeakPolarHBondContact O-CB 3.48Å; V221-F224 PolarHBondContact O-N 3.06Å; D222-F224 VanDerWaalsContact C-N 3.33Å; D222-F224 PolarHBondContact O-N 3.49Å; F224-I227 PolarHBondContact O-N 3.1Å; F224-R228 WeakPolarHBondContact O-CG 3.5Å; F224-R228 PolarHBondContact O-N 3.08Å; F224-R228 VanDerWaalsContact O-N 3.07Å; F224-T252 HydrophobicContact CE2-CG2 3.89Å
225	N	98.9	Very high	98.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-70.8	-32.1	177.4	-75.6	-50.6	0	0	0	112.8	Y95 Y96 Y129 V221 D222 R228 A229	Y95-N225 HydrophobicContact CD2-CB 4.21Å; Y95-N225 HydrophobicContact CE2-CB 4.26Å; Y95-N225 VanDerWaalsContact CE2-ND2 3.34Å; Y95-N225 WeakPolarHBondContact CE2-ND2 3.49Å; Y96-N225 PolarHBondContact N-OD1 3.39Å; Y129-N225 HydrophobicContact CG-CB 4.49Å; V221-N225 WeakPolarHBondContact CG1-ND2 3.35Å; V221-N225 PolarHBondContact O-N 3.08Å; V221-N225 PolarHBondContact O-ND2 2.65Å; D222-N225 PolarHBondContact O-N 3.37Å; N225-R228 CarbonylContact O-C 3.55Å; N225-R228 WeakPolarHBondContact O-CB 3.42Å; N225-R228 PolarHBondContact O-N 3.04Å; N225-R228 VanDerWaalsContact O-N 3.17Å; N225-A229 PolarHBondContact O-N 3.29Å
226	A	98.9	Very high	98.5	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.033	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-42.1	172.2	0	0	0	0	0	111.5	L155 D222 W223 R228 A229 A230	L155-A226 VanDerWaalsContact CD2-C 3.4Å; L155-A226 HydrophobicContact CD2-CB 3.73Å; L155-A226 WeakPolarHBondContact CD2-O 3.31Å; D222-A226 VanDerWaalsContact O-CB 3.26Å; D222-A226 WeakPolarHBondContact O-CB 3.37Å; D222-A226 PolarHBondContact O-N 2.9Å; W223-A226 PolarHBondContact O-N 3.09Å; A226-R228 VanDerWaalsContact C-N 3.27Å; A226-R228 PolarHBondContact O-N 2.92Å; A226-A229 WeakPolarHBondContact O-CB 3.47Å; A226-A229 PolarHBondContact O-N 3Å; A226-A230 PolarHBondContact O-N 3.18Å
227	I	98.9	Very high	98.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-41.7	172.2	-71.4	166	0	0	0	110.4	L155 L162 L182 A184 I199 W223 F224 A230 R231 T252	L155-I227 HydrophobicContact CD2-CG1 4.34Å; L162-I227 HydrophobicContact CD2-CD1 4.29Å; L182-I227 HydrophobicContact CD2-CG1 4.4Å; L182-I227 HydrophobicContact CD2-CG2 3.89Å; A184-I227 HydrophobicContact CB-CD1 4.27Å; A184-I227 HydrophobicContact CB-CG2 4.26Å; I199-I227 HydrophobicContact CD1-CD1 4.12Å; W223-I227 WeakPolarHBondContact O-CG1 3.48Å; W223-I227 PolarHBondContact O-N 3.16Å; F224-I227 PolarHBondContact O-N 3.1Å; I227-A230 PolarHBondContact O-N 3.18Å; I227-R231 HydrophobicContact CG2-CG 4.32Å; I227-R231 WeakPolarHBondContact O-CB 3.36Å; I227-R231 WeakPolarHBondContact O-CG 3.31Å; I227-R231 PolarHBondContact O-N 3.48Å; I227-T252 HydrophobicContact CG2-CG2 4.37Å
228	R	98.8	Very high	98.2	Very high	9 Å²	9	25.8 Å²	25.8	3%	0.034	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-40.6	176.2	-70.6	172.3	55.8	78.7	2.1	112.4	F94 F224 N225 A226 R231 F232 L251 T252	F94-R228 HydrophobicContact CB-CB 4.5Å; F94-R228 PolarHBondContact O-NE 3.31Å; F94-R228 PolarHBondContact O-NH2 3.04Å; F224-R228 WeakPolarHBondContact O-CG 3.5Å; F224-R228 PolarHBondContact O-N 3.08Å; F224-R228 VanDerWaalsContact O-N 3.07Å; N225-R228 CarbonylContact O-C 3.55Å; N225-R228 WeakPolarHBondContact O-CB 3.42Å; N225-R228 PolarHBondContact O-N 3.04Å; N225-R228 VanDerWaalsContact O-N 3.17Å; A226-R228 VanDerWaalsContact C-N 3.27Å; A226-R228 PolarHBondContact O-N 2.92Å; R228-R231 WeakPolarHBondContact O-CB 3.41Å; R228-R231 PolarHBondContact O-N 2.9Å; R228-F232 WeakPolarHBondContact O-CB 3.07Å; R228-F232 PolarHBondContact O-N 2.87Å; R228-L251 HydrophobicContact CB-CB 4.25Å; R228-L251 HydrophobicContact CB-CD1 4.25Å; R228-L251 HydrophobicContact CG-CB 4.23Å; R228-T252 HydrophobicContact CG-CG2 3.49Å; R228-T252 VanDerWaalsContact CG-CG2 3.49Å; R228-T252 PolarHBondContact NH1-OG1 3.1Å
229	A	98.8	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.4	-51.5	174.7	0	0	0	0	0	111.4	F94 N225 A226 R231 F232 H233	F94-A229 HydrophobicContact CD1-CB 3.89Å; F94-A229 HydrophobicContact CD2-CB 3.69Å; F94-A229 HydrophobicContact CE1-CB 3.87Å; F94-A229 HydrophobicContact CE2-CB 3.7Å; F94-A229 HydrophobicContact CG-CB 3.81Å; F94-A229 HydrophobicContact CZ-CB 3.79Å; N225-A229 PolarHBondContact O-N 3.29Å; A226-A229 WeakPolarHBondContact O-CB 3.47Å; A226-A229 PolarHBondContact O-N 3Å; A229-R231 VanDerWaalsContact C-N 3.29Å; A229-R231 PolarHBondContact O-N 3.19Å; A229-F232 WeakPolarHBondContact O-CA 3.16Å; A229-F232 WeakPolarHBondContact O-CB 3.47Å; A229-F232 PolarHBondContact O-N 2.87Å; A229-H233 PolarHBondContact O-N 3.25Å
230	A	98.7	Very high	97.7	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-40.1	177.8	0	0	0	0	0	112.5	L155 E157 I179 A226 I227 F232 Y234	L155-A230 HydrophobicContact CD1-CB 4.03Å; L155-A230 HydrophobicContact CD2-CB 4.2Å; L155-A230 HydrophobicContact CG-CB 4.37Å; E157-A230 HydrophobicContact CG-CB 3.66Å; E157-A230 VanDerWaalsContact OE1-CA 3.32Å; E157-A230 WeakPolarHBondContact OE1-CA 3.15Å; E157-A230 PolarHBondContact OE1-N 2.86Å; I179-A230 HydrophobicContact CD1-CB 3.9Å; I179-A230 HydrophobicContact CG1-CB 4.33Å; I179-A230 HydrophobicContact CG2-CB 4.36Å; I179-A230 WeakPolarHBondContact CG2-O 3.45Å; A226-A230 PolarHBondContact O-N 3.18Å; I227-A230 PolarHBondContact O-N 3.18Å; A230-F232 VanDerWaalsContact C-N 3.34Å; A230-Y234 WeakPolarHBondContact O-CB 3.28Å; A230-Y234 PolarHBondContact O-N 2.94Å
231	R	98.5	Very high	97.5	Very high	13 Å²	13	34 Å²	34	5%	0.049	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-38.9	173.9	-73.1	-78.7	-62	158.2	5.7	112	I179 E180 L182 I227 R228 A229 L235 K250 L251	I179-R231 HydrophobicContact CG2-CB 4.5Å; I179-R231 HydrophobicContact CG2-CG 4.07Å; I179-R231 WeakPolarHBondContact O-CD 3.45Å; I179-R231 PolarHBondContact O-NH1 2.92Å; E180-R231 PolarHBondContact O-NH1 3.38Å; L182-R231 PolarHBondContact O-NE 3.17Å; I227-R231 HydrophobicContact CG2-CG 4.32Å; I227-R231 WeakPolarHBondContact O-CB 3.36Å; I227-R231 WeakPolarHBondContact O-CG 3.31Å; I227-R231 PolarHBondContact O-N 3.48Å; R228-R231 WeakPolarHBondContact O-CB 3.41Å; R228-R231 PolarHBondContact O-N 2.9Å; A229-R231 VanDerWaalsContact C-N 3.29Å; A229-R231 PolarHBondContact O-N 3.19Å; R231-L235 WeakPolarHBondContact O-CB 3.49Å; R231-L235 VanDerWaalsContact O-CG 3.24Å; R231-L235 WeakPolarHBondContact O-CG 3.39Å; R231-L235 PolarHBondContact O-N 2.92Å; R231-K250 PolarHBondContact NH2-O 3.36Å; R231-L251 HydrophobicContact CB-CB 4.28Å; R231-L251 HydrophobicContact CB-CD2 4.26Å; R231-L251 WeakPolarHBondContact CG-O 3.49Å; R231-L251 PolarHBondContact NE-O 3.21Å
232	F	98.5	Very high	97.3	Very high	12 Å²	12	35 Å²	35	5%	0.053	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-50.7	-179.1	179.5	-115	0	0	0	110.9	A93 F94 R228 A229 A230 Y234 L235 Q236 D244 L247 V248 L251	A93-F232 HydrophobicContact CB-CE1 4.39Å; A93-F232 HydrophobicContact CB-CE2 4.49Å; A93-F232 HydrophobicContact CB-CZ 3.98Å; F94-F232 HydrophobicContact CB-CB 3.91Å; F94-F232 HydrophobicContact CB-CD1 4.3Å; F94-F232 HydrophobicContact CB-CG 4.14Å; F94-F232 HydrophobicContact CD1-CD1 4.23Å; R228-F232 WeakPolarHBondContact O-CB 3.07Å; R228-F232 PolarHBondContact O-N 2.87Å; A229-F232 WeakPolarHBondContact O-CA 3.16Å; A229-F232 WeakPolarHBondContact O-CB 3.47Å; A229-F232 PolarHBondContact O-N 2.87Å; A230-F232 VanDerWaalsContact C-N 3.34Å; F232-Y234 VanDerWaalsContact C-N 3.34Å; F232-Y234 PolarHBondContact O-N 3.37Å; F232-L235 PolarHBondContact O-N 2.85Å; F232-L235 VanDerWaalsContact O-N 3.09Å; F232-Q236 VanDerWaalsContact CE1-NE2 3.34Å; F232-Q236 HydrophobicContact CE2-CG 4.4Å; F232-Q236 HydrophobicContact CZ-CG 4.35Å; F232-Q236 VanDerWaalsContact CZ-NE2 3.26Å; F232-Q236 WeakPolarHBondContact O-CG 3.12Å; F232-Q236 PolarHBondContact O-N 3.26Å; F232-D244 HydrophobicContact CE2-CB 4.43Å; F232-D244 VanDerWaalsContact CZ-OD1 3.29Å; F232-D244 WeakPolarHBondContact CZ-OD1 3.13Å; F232-L247 HydrophobicContact CD2-CB 4.23Å; F232-L247 HydrophobicContact CE2-CB 4.21Å; F232-L247 HydrophobicContact CE2-CD1 4.4Å; F232-V248 HydrophobicContact CE2-CG2 4.44Å; F232-L251 HydrophobicContact CB-CD1 3.9Å; F232-L251 HydrophobicContact CB-CD2 3.6Å; F232-L251 HydrophobicContact CB-CG 4.39Å; F232-L251 HydrophobicContact CD2-CD1 4.26Å; F232-L251 HydrophobicContact CD2-CD2 3.99Å; F232-L251 HydrophobicContact CG-CD1 4.4Å; F232-L251 HydrophobicContact CG-CD2 4.29Å
233	H	98.1	Very high	97.2	Very high	64 Å²	64	37.3 Å²	37.3	30%	0.296	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-40.7	176.3	-60.5	150.9	0	0	0	112.2	E157 A229 L235 Q236 V237	E157-H233 IonicContact OE1-CE1 2.63Å; E157-H233 IonicContact OE1-ND1 3.96Å; E157-H233 PolarHBondContact OE1-ND1 3.09Å; E157-H233 IonicContact OE2-CE1 3.21Å; E157-H233 IonicContact OE2-CG 3.75Å; E157-H233 IonicContact OE2-ND1 3.53Å; E157-H233 PolarHBondContact OE2-ND1 3.22Å; A229-H233 PolarHBondContact O-N 3.25Å; H233-L235 VanDerWaalsContact C-N 3.32Å; H233-L235 PolarHBondContact O-N 3.49Å; H233-Q236 PolarHBondContact O-N 2.78Å; H233-V237 WeakPolarHBondContact O-CG2 3.45Å; H233-V237 PolarHBondContact O-N 3.39Å
234	Y	97.9	Very high	97.1	Very high	79 Å²	79	40.1 Å²	40.1	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-56	-46.5	172.4	167.9	-97.9	0	0	0	111.9	I179 E180 A230 F232 V237 A238	I179-Y234 HydrophobicContact CG2-CG 4.22Å; E180-Y234 HydrophobicContact CB-CE1 3.99Å; E180-Y234 HydrophobicContact CB-CE2 3.9Å; E180-Y234 HydrophobicContact CG-CE1 4.18Å; E180-Y234 HydrophobicContact CG-CE2 4.48Å; E180-Y234 WeakPolarHBondContact CG-OH 3.46Å; A230-Y234 WeakPolarHBondContact O-CB 3.28Å; A230-Y234 PolarHBondContact O-N 2.94Å; F232-Y234 VanDerWaalsContact C-N 3.34Å; F232-Y234 PolarHBondContact O-N 3.37Å; Y234-V237 PolarHBondContact O-N 3Å; Y234-A238 HydrophobicContact CE1-CB 4.19Å; Y234-A238 HydrophobicContact CE2-CB 4.48Å; Y234-A238 WeakPolarHBondContact O-CB 3.49Å; Y234-A238 PolarHBondContact O-N 2.95Å
235	L	96.8	Very high	96.9	Very high	8 Å²	8	47 Å²	47	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-71.3	-34.7	-177.6	-72.2	170.7	0	0	0	112.9	R231 F232 H233 V237 A238 F239 L247 K250 L251	R231-L235 WeakPolarHBondContact O-CB 3.49Å; R231-L235 VanDerWaalsContact O-CG 3.24Å; R231-L235 WeakPolarHBondContact O-CG 3.39Å; R231-L235 PolarHBondContact O-N 2.92Å; F232-L235 PolarHBondContact O-N 2.85Å; F232-L235 VanDerWaalsContact O-N 3.09Å; H233-L235 VanDerWaalsContact C-N 3.32Å; H233-L235 PolarHBondContact O-N 3.49Å; L235-V237 VanDerWaalsContact C-N 3.25Å; L235-V237 PolarHBondContact O-N 2.88Å; L235-A238 PolarHBondContact O-N 2.93Å; L235-F239 HydrophobicContact CB-CD2 4.42Å; L235-F239 HydrophobicContact CD2-CD2 3.76Å; L235-F239 HydrophobicContact CD2-CE2 3.49Å; L235-F239 VanDerWaalsContact CD2-CE2 3.49Å; L235-F239 WeakPolarHBondContact O-CB 3.24Å; L235-F239 WeakPolarHBondContact O-CD2 3.08Å; L235-F239 PolarHBondContact O-N 2.8Å; L235-L247 HydrophobicContact CB-CD1 4.21Å; L235-L247 HydrophobicContact CB-CD2 3.98Å; L235-K250 HydrophobicContact CD1-CB 3.73Å; L235-L251 HydrophobicContact CD1-CD2 3.77Å
236	Q	97.2	Very high	96.6	Very high	75 Å²	75	52.1 Å²	52.1	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-60.4	-38.6	173.5	-74.3	179.6	-42.5	0	0	111.4	F232 H233 L247	F232-Q236 VanDerWaalsContact CE1-NE2 3.34Å; F232-Q236 HydrophobicContact CE2-CG 4.4Å; F232-Q236 HydrophobicContact CZ-CG 4.35Å; F232-Q236 VanDerWaalsContact CZ-NE2 3.26Å; F232-Q236 WeakPolarHBondContact O-CG 3.12Å; F232-Q236 PolarHBondContact O-N 3.26Å; H233-Q236 PolarHBondContact O-N 2.78Å; Q236-L247 HydrophobicContact CB-CD1 4.35Å; Q236-L247 HydrophobicContact CG-CD1 3.58Å
237	V	96.2	Very high	96.5	Very high	123 Å²	123	52 Å²	52	75%	0.745	30%	0.298	S	S	*	.	H	α-helix	trans	-73.8	-42.4	175.6	176.6	0	0	0	0	111.7	H233 Y234 L235 F239	H233-V237 WeakPolarHBondContact O-CG2 3.45Å; H233-V237 PolarHBondContact O-N 3.39Å; Y234-V237 PolarHBondContact O-N 3Å; L235-V237 VanDerWaalsContact C-N 3.25Å; L235-V237 PolarHBondContact O-N 2.88Å; V237-F239 VanDerWaalsContact C-N 3.32Å; V237-F239 PolarHBondContact O-N 2.82Å
238	A	94.1	Very high	96.4	Very high	41 Å²	41	53.9 Å²	53.9	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-72	-24.6	-177.8	0	0	0	0	0	113.5	Y234 L235	Y234-A238 HydrophobicContact CE1-CB 4.19Å; Y234-A238 HydrophobicContact CE2-CB 4.48Å; Y234-A238 WeakPolarHBondContact O-CB 3.49Å; Y234-A238 PolarHBondContact O-N 2.95Å; L235-A238 PolarHBondContact O-N 2.93Å
239	F	94.3	Very high	96.2	Very high	72 Å²	72	57.8 Å²	57.8	32%	0.316	34%	0.337	S	S	.	.	S	Bend	trans	-131.4	68.9	-178.1	-57.6	-78.2	0	0	0	110.4	L235 V237 G241 A242 L247 Q364	L235-F239 HydrophobicContact CB-CD2 4.42Å; L235-F239 HydrophobicContact CD2-CD2 3.76Å; L235-F239 HydrophobicContact CD2-CE2 3.49Å; L235-F239 VanDerWaalsContact CD2-CE2 3.49Å; L235-F239 WeakPolarHBondContact O-CB 3.24Å; L235-F239 WeakPolarHBondContact O-CD2 3.08Å; L235-F239 PolarHBondContact O-N 2.8Å; V237-F239 VanDerWaalsContact C-N 3.32Å; V237-F239 PolarHBondContact O-N 2.82Å; F239-G241 PolarHBondContact O-N 3.15Å; F239-A242 HydrophobicContact CB-CB 3.95Å; F239-A242 WeakPolarHBondContact O-CB 3.36Å; F239-A242 PolarHBondContact O-N 3.23Å; F239-A242 VanDerWaalsContact O-N 3.09Å; F239-L247 HydrophobicContact CB-CD2 4.49Å; F239-Q364 VanDerWaalsContact CZ-OE1 3.28Å
240	P	93.8	Very high	95.9	Very high	113 Å²	113	60.2 Å²	60.2	73%	0.734	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	124.9	-179.7	26.4	-33.7	0	0	0	109.8
241	G	93.1	Very high	95.9	Very high	86 Å²	86	60.1 Å²	60.1	89%	0.887	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	-5.6	-178	0	0	0	0	0	115.5	F239	F239-G241 PolarHBondContact O-N 3.15Å
242	A	95	Very high	95.8	Very high	27 Å²	27	60 Å²	60	22%	0.223	35%	0.347	C	S	.	.			trans	-71.1	139.2	169.6	0	0	0	0	0	110.8	F239 E246 L247	F239-A242 HydrophobicContact CB-CB 3.95Å; F239-A242 WeakPolarHBondContact O-CB 3.36Å; F239-A242 PolarHBondContact O-N 3.23Å; F239-A242 VanDerWaalsContact O-N 3.09Å; A242-E246 VanDerWaalsContact CA-OE2 3.24Å; A242-E246 WeakPolarHBondContact CA-OE2 3.13Å; A242-E246 WeakPolarHBondContact CB-OE2 3.49Å; A242-L247 HydrophobicContact CB-CD1 4.38Å; A242-L247 HydrophobicContact CB-CD2 3.63Å; A242-L247 HydrophobicContact CB-CG 3.97Å
243	S	96.8	Very high	95.6	Very high	48 Å²	48	62.7 Å²	62.7	34%	0.336	36%	0.357	S	S	.	.			trans	-79.2	162	178.4	89	0	0	0	0	112.1	E245 E246 L247	S243-E245 VanDerWaalsContact CB-OE2 3.26Å; S243-E245 WeakPolarHBondContact CB-OE2 3.47Å; S243-E245 PolarHBondContact O-N 2.95Å; S243-E245 PolarHBondContact OG-N 2.95Å; S243-E245 PolarHBondContact OG-OE2 2.81Å; S243-E246 PolarHBondContact N-OE2 3.2Å; S243-E246 VanDerWaalsContact N-OE2 3.1Å; S243-E246 WeakPolarHBondContact O-CB 3.42Å; S243-E246 PolarHBondContact O-N 2.98Å; S243-E246 PolarHBondContact OG-N 3.21Å; S243-L247 WeakPolarHBondContact O-CG 3.11Å; S243-L247 PolarHBondContact O-N 3.21Å; S243-L247 VanDerWaalsContact O-N 3.1Å
244	D	96.3	Very high	95.5	Very high	63 Å²	63	63 Å²	63	34%	0.337	36%	0.361	S	S	.	.	H	α-helix	trans	-57.4	-39	176.4	-74.1	5.7	0	0	0	111.4	F232 E246 L247 V248	F232-D244 HydrophobicContact CE2-CB 4.43Å; F232-D244 VanDerWaalsContact CZ-OD1 3.29Å; F232-D244 WeakPolarHBondContact CZ-OD1 3.13Å; D244-E246 PolarHBondContact O-N 3.39Å; D244-L247 PolarHBondContact O-N 3.49Å; D244-L247 VanDerWaalsContact O-N 3.1Å; D244-V248 WeakPolarHBondContact O-CB 3.48Å; D244-V248 WeakPolarHBondContact O-CG2 3.42Å; D244-V248 PolarHBondContact O-N 3.36Å
245	E	95.1	Very high	95.4	Very high	145 Å²	145	60.3 Å²	60.3	68%	0.678	35%	0.35	S	S	*	.	H	α-helix	trans	-60.7	-32.9	176.2	-60.5	74.9	-160.2	0	0	112.5	S243 P249	S243-E245 VanDerWaalsContact CB-OE2 3.26Å; S243-E245 WeakPolarHBondContact CB-OE2 3.47Å; S243-E245 PolarHBondContact O-N 2.95Å; S243-E245 PolarHBondContact OG-N 2.95Å; S243-E245 PolarHBondContact OG-OE2 2.81Å; E245-P249 WeakPolarHBondContact O-CD 3.32Å; E245-P249 WeakPolarHBondContact O-CG 3.34Å
246	E	94.1	Very high	95.3	Very high	109 Å²	109	62.6 Å²	62.6	51%	0.509	36%	0.361	S	S	.	.	H	α-helix	trans	-79.6	-26.1	176.9	-63.1	-177	134.5	0	0	113	A242 S243 D244 K250	A242-E246 VanDerWaalsContact CA-OE2 3.24Å; A242-E246 WeakPolarHBondContact CA-OE2 3.13Å; A242-E246 WeakPolarHBondContact CB-OE2 3.49Å; S243-E246 PolarHBondContact N-OE2 3.2Å; S243-E246 VanDerWaalsContact N-OE2 3.1Å; S243-E246 WeakPolarHBondContact O-CB 3.42Å; S243-E246 PolarHBondContact O-N 2.98Å; S243-E246 PolarHBondContact OG-N 3.21Å; D244-E246 PolarHBondContact O-N 3.39Å; E246-K250 WeakPolarHBondContact O-CD 3.42Å; E246-K250 WeakPolarHBondContact O-CE 3.47Å; E246-K250 PolarHBondContact O-NZ 3.32Å
247	L	96.3	Very high	95.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-93.2	-41.2	-175.5	-63.9	-170.5	0	0	0	113.2	F232 L235 Q236 F239 A242 S243 D244 P249 K250	F232-L247 HydrophobicContact CD2-CB 4.23Å; F232-L247 HydrophobicContact CE2-CB 4.21Å; F232-L247 HydrophobicContact CE2-CD1 4.4Å; L235-L247 HydrophobicContact CB-CD1 4.21Å; L235-L247 HydrophobicContact CB-CD2 3.98Å; Q236-L247 HydrophobicContact CB-CD1 4.35Å; Q236-L247 HydrophobicContact CG-CD1 3.58Å; F239-L247 HydrophobicContact CB-CD2 4.49Å; A242-L247 HydrophobicContact CB-CD1 4.38Å; A242-L247 HydrophobicContact CB-CD2 3.63Å; A242-L247 HydrophobicContact CB-CG 3.97Å; S243-L247 WeakPolarHBondContact O-CG 3.11Å; S243-L247 PolarHBondContact O-N 3.21Å; S243-L247 VanDerWaalsContact O-N 3.1Å; D244-L247 PolarHBondContact O-N 3.49Å; D244-L247 VanDerWaalsContact O-N 3.1Å; L247-P249 VanDerWaalsContact C-CD 3.48Å; L247-P249 VanDerWaalsContact C-N 3.34Å; L247-K250 WeakPolarHBondContact O-CA 3.25Å; L247-K250 WeakPolarHBondContact O-CB 3.41Å; L247-K250 PolarHBondContact O-N 3.01Å
248	V	96.7	Very high	95.4	Very high	41 Å²	41	56.8 Å²	56.8	25%	0.248	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-54	-40.1	-176	167.7	0	0	0	0	113.5	A93 F232 D244 K250 L251	A93-V248 VanDerWaalsContact O-CG2 3.28Å; A93-V248 WeakPolarHBondContact O-CG2 3.01Å; F232-V248 HydrophobicContact CE2-CG2 4.44Å; D244-V248 WeakPolarHBondContact O-CB 3.48Å; D244-V248 WeakPolarHBondContact O-CG2 3.42Å; D244-V248 PolarHBondContact O-N 3.36Å; V248-K250 PolarHBondContact O-N 2.81Å; V248-L251 HydrophobicContact CG2-CD1 4.5Å; V248-L251 WeakPolarHBondContact O-CG 3.38Å; V248-L251 PolarHBondContact O-N 3.38Å
249	P	93.9	Very high	95.6	Very high	91 Å²	91	55.3 Å²	55.3	59%	0.591	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.9	-13.8	175.2	-23.4	35.6	0	0	0	114.7	E245 L247	E245-P249 WeakPolarHBondContact O-CD 3.32Å; E245-P249 WeakPolarHBondContact O-CG 3.34Å; L247-P249 VanDerWaalsContact C-CD 3.48Å; L247-P249 VanDerWaalsContact C-N 3.34Å
250	K	93.8	Very high	95.8	Very high	52 Å²	52	54.9 Å²	54.9	23%	0.226	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-99.2	-7.6	-176.3	-58.1	170.7	-174.9	153.8	0	113.3	R231 L235 E246 L247 V248	R231-K250 PolarHBondContact NH2-O 3.36Å; L235-K250 HydrophobicContact CD1-CB 3.73Å; E246-K250 WeakPolarHBondContact O-CD 3.42Å; E246-K250 WeakPolarHBondContact O-CE 3.47Å; E246-K250 PolarHBondContact O-NZ 3.32Å; L247-K250 WeakPolarHBondContact O-CA 3.25Å; L247-K250 WeakPolarHBondContact O-CB 3.41Å; L247-K250 PolarHBondContact O-N 3.01Å; V248-K250 PolarHBondContact O-N 2.81Å
251	L	97.4	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-64	-56.5	-173.8	-54.9	-171.4	0	0	0	111.5	F94 R228 R231 F232 L235 V248	F94-L251 HydrophobicContact CB-CD1 3.69Å; R228-L251 HydrophobicContact CB-CB 4.25Å; R228-L251 HydrophobicContact CB-CD1 4.25Å; R228-L251 HydrophobicContact CG-CB 4.23Å; R231-L251 HydrophobicContact CB-CB 4.28Å; R231-L251 HydrophobicContact CB-CD2 4.26Å; R231-L251 WeakPolarHBondContact CG-O 3.49Å; R231-L251 PolarHBondContact NE-O 3.21Å; F232-L251 HydrophobicContact CB-CD1 3.9Å; F232-L251 HydrophobicContact CB-CD2 3.6Å; F232-L251 HydrophobicContact CB-CG 4.39Å; F232-L251 HydrophobicContact CD2-CD1 4.26Å; F232-L251 HydrophobicContact CD2-CD2 3.99Å; F232-L251 HydrophobicContact CG-CD1 4.4Å; F232-L251 HydrophobicContact CG-CD2 4.29Å; L235-L251 HydrophobicContact CD1-CD2 3.77Å; V248-L251 HydrophobicContact CG2-CD1 4.5Å; V248-L251 WeakPolarHBondContact O-CG 3.38Å; V248-L251 PolarHBondContact O-N 3.38Å
252	T	96.9	Very high	96.3	Very high	10 Å²	10	46 Å²	46	6%	0.061	24%	0.238	C	C	.	.	S	Bend	trans	-139.2	148.8	172.9	53.3	0	0	0	0	108.4	N183 A184 F224 I227 R228	N183-T252 WeakPolarHBondContact OD1-CA 3.25Å; A184-T252 HydrophobicContact CB-CG2 4.14Å; A184-T252 WeakPolarHBondContact O-CB 3.35Å; F224-T252 HydrophobicContact CE2-CG2 3.89Å; I227-T252 HydrophobicContact CG2-CG2 4.37Å; R228-T252 HydrophobicContact CG-CG2 3.49Å; R228-T252 VanDerWaalsContact CG-CG2 3.49Å; R228-T252 PolarHBondContact NH1-OG1 3.1Å
253	R	94.5	Very high	96.4	Very high	70 Å²	70	46 Å²	46	26%	0.264	23%	0.233	S	C	.	.			trans	-127.7	126.8	-175.5	-60.7	174.5	-57.2	-73.3	-2.4	109.4	N183 D280	N183-R253 PolarHBondContact ND2-O 2.87Å; N183-R253 PolarHBondContact OD1-N 2.86Å; N183-R253 PolarHBondContact OD1-O 3.3Å; R253-D280 IonicContact CZ-OD1 2.91Å; R253-D280 IonicContact NE-OD1 2.75Å; R253-D280 PolarHBondContact NE-OD1 2.96Å; R253-D280 IonicContact NH2-OD1 3.65Å; R253-D280 IonicContact NH2-OD2 3.95Å
254	N	95.2	Very high	96.4	Very high	70 Å²	70	44.1 Å²	44.1	37%	0.374	22%	0.22	S	C	.	.			trans	-71.5	149.2	162.9	-68.1	-27	0	0	0	109.1	Y96 T185	Y96-N254 PolarHBondContact OH-ND2 3.12Å; T185-N254 PolarHBondContact OG1-OD1 3.18Å
255	F	96.3	Very high	96.3	Very high	22 Å²	22	42 Å²	42	10%	0.096	21%	0.213	C	C	.	.			trans	-69.9	136.2	176.4	-58.1	-48.6	0	0	0	110	T185 T200 K257 E258 T278 M279 D280	T185-F255 HydrophobicContact CG2-CD2 3.99Å; T185-F255 HydrophobicContact CG2-CE1 4.47Å; T185-F255 HydrophobicContact CG2-CE2 3.54Å; T185-F255 HydrophobicContact CG2-CZ 3.82Å; T200-F255 HydrophobicContact CG2-CZ 4.16Å; F255-K257 VanDerWaalsContact C-N 3.31Å; F255-K257 PolarHBondContact O-N 2.84Å; F255-E258 HydrophobicContact CB-CG 3.78Å; F255-E258 HydrophobicContact CD2-CG 4.09Å; F255-E258 WeakPolarHBondContact CD2-OE2 3.34Å; F255-E258 HydrophobicContact CG-CG 4.3Å; F255-T278 HydrophobicContact CB-CG2 3.95Å; F255-T278 HydrophobicContact CD1-CG2 3.47Å; F255-T278 VanDerWaalsContact CD1-CG2 3.47Å; F255-T278 HydrophobicContact CD2-CG2 3.47Å; F255-T278 VanDerWaalsContact CD2-CG2 3.47Å; F255-T278 HydrophobicContact CE1-CG2 3.72Å; F255-T278 HydrophobicContact CE2-CG2 3.7Å; F255-T278 HydrophobicContact CG-CG2 3.33Å; F255-T278 HydrophobicContact CZ-CG2 3.83Å; F255-M279 CarbonylContact C-O 3.58Å; F255-D280 HydrophobicContact CD1-CB 3.65Å; F255-D280 HydrophobicContact CE1-CB 3.76Å
256	M	95.4	Very high	96.1	Very high	56 Å²	56	39 Å²	39	28%	0.276	21%	0.206	S	C	.	.	S	Bend	trans	-64	-39.4	-176.4	-74.1	-173.6	46.2	0	0	112.2	M279 A352 R355 V356	M256-M279 HydrophobicContact CB-CB 4.33Å; M256-M279 HydrophobicContact CB-CG 4.22Å; M256-M279 HydrophobicContact CB-SD 4.47Å; M256-M279 HydrophobicContact CE-CE 4.3Å; M256-M279 HydrophobicContact CE-SD 4.3Å; M256-M279 PolarHBondContact N-O 3.12Å; M256-A352 HydrophobicContact CE-CB 4.31Å; M256-A352 VanDerWaalsContact CE-O 3.31Å; M256-A352 WeakPolarHBondContact CE-O 3.43Å; M256-R355 HydrophobicContact CE-CB 4.19Å; M256-R355 HydrophobicContact CE-CG 4.39Å; M256-V356 HydrophobicContact CE-CG2 3.45Å; M256-V356 VanDerWaalsContact CE-CG2 3.45Å; M256-V356 HydrophobicContact SD-CG2 3.43Å; M256-V356 WeakPolarHBondContact SD-CG2 3.4Å
257	K	97.1	Very high	96	Very high	37 Å²	37	41.4 Å²	41.4	16%	0.161	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	147.5	172.3	-169.9	167.3	172	71	0	109.6	F255 M279 D348 W349 A352	F255-K257 VanDerWaalsContact C-N 3.31Å; F255-K257 PolarHBondContact O-N 2.84Å; K257-M279 PolarHBondContact O-N 3.32Å; K257-D348 HydrophobicContact CD-CB 3.86Å; K257-D348 IonicContact NZ-OD2 2.8Å; K257-D348 PolarHBondContact NZ-OD2 3.47Å; K257-D348 VanDerWaalsContact NZ-OD2 3.15Å; K257-W349 HydrophobicContact CB-CE3 4.13Å; K257-W349 HydrophobicContact CB-CH2 4.16Å; K257-W349 HydrophobicContact CB-CZ3 3.9Å; K257-W349 HydrophobicContact CD-CB 4.33Å; K257-W349 HydrophobicContact CD-CD2 3.54Å; K257-W349 HydrophobicContact CD-CE3 3.83Å; K257-W349 HydrophobicContact CD-CG 3.76Å; K257-W349 HydrophobicContact CD-CZ2 4.43Å; K257-W349 HydrophobicContact CD-CZ3 4.38Å; K257-W349 HydrophobicContact CG-CD2 4.01Å; K257-W349 HydrophobicContact CG-CE3 4.06Å; K257-W349 HydrophobicContact CG-CH2 4.07Å; K257-W349 HydrophobicContact CG-CZ2 4.03Å; K257-W349 HydrophobicContact CG-CZ3 4.09Å; K257-A352 HydrophobicContact CB-CB 4.08Å; K257-A352 HydrophobicContact CD-CB 4.42Å
258	E	98.3	Very high	95.8	Very high	40 Å²	40	44.1 Å²	44.1	19%	0.187	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	160.5	170.1	-51.5	-167.1	84.7	0	0	110	Q187 K190 F255 W276 F277 T278	Q187-E258 PolarHBondContact NE2-OE2 3.14Å; Q187-E258 PolarHBondContact OE1-OE2 3.41Å; K190-E258 WeakPolarHBondContact CE-OE2 3.3Å; K190-E258 IonicContact NZ-OE1 3.02Å; K190-E258 PolarHBondContact NZ-OE1 3.47Å; K190-E258 IonicContact NZ-OE2 2.78Å; K190-E258 PolarHBondContact NZ-OE2 3.4Å; F255-E258 HydrophobicContact CB-CG 3.78Å; F255-E258 HydrophobicContact CD2-CG 4.09Å; F255-E258 WeakPolarHBondContact CD2-OE2 3.34Å; F255-E258 HydrophobicContact CG-CG 4.3Å; E258-W276 HydrophobicContact CB-CH2 4.28Å; E258-W276 HydrophobicContact CB-CZ2 3.5Å; E258-W276 VanDerWaalsContact CB-CZ2 3.5Å; E258-W276 HydrophobicContact CG-CZ2 4.48Å; E258-W276 PolarHBondContact OE1-NE1 2.77Å; E258-F277 WeakPolarHBondContact CA-O 3.49Å; E258-F277 WeakPolarHBondContact CB-O 3.49Å; E258-T278 HydrophobicContact CG-CG2 4.03Å; E258-T278 WeakPolarHBondContact OE1-CB 3.48Å; E258-T278 WeakPolarHBondContact OE1-CG2 3.38Å; E258-T278 PolarHBondContact OE1-OG1 3.35Å
259	G	98.2	Very high	95.4	Very high	10 Å²	10	47.9 Å²	47.9	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.1	171.3	179.1	0	0	0	0	0	112.1	F277	G259-F277 PolarHBondContact N-O 2.99Å; G259-F277 VanDerWaalsContact N-O 3.12Å; G259-F277 PolarHBondContact O-N 2.63Å
260	F	98.4	Very high	95.4	Very high	63 Å²	63	46.6 Å²	46.6	28%	0.276	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	141	173.8	-73.9	-77.5	0	0	0	110.9	K274 R275 W276 P290 W323	F260-K274 HydrophobicContact CB-CG 4.26Å; F260-K274 HydrophobicContact CD1-CD 4.1Å; F260-K274 VanDerWaalsContact CD1-CE 3.46Å; F260-K274 HydrophobicContact CD1-CG 3.63Å; F260-K274 HydrophobicContact CE1-CG 4.33Å; F260-K274 HydrophobicContact CG-CD 4.37Å; F260-K274 HydrophobicContact CG-CG 4.21Å; F260-R275 WeakPolarHBondContact CA-O 3.45Å; F260-R275 WeakPolarHBondContact CD1-O 3.28Å; F260-W276 HydrophobicContact CD1-CB 4.29Å; F260-W276 HydrophobicContact CD1-CE3 4.35Å; F260-W276 AromaticContact CD2-CE3 3.7Å; F260-W276 HydrophobicContact CD2-CE3 3.7Å; F260-W276 AromaticContact CD2-CZ3 3.96Å; F260-W276 HydrophobicContact CD2-CZ3 3.96Å; F260-W276 HydrophobicContact CE1-CB 3.99Å; F260-W276 HydrophobicContact CE1-CE3 4.27Å; F260-W276 AromaticContact CE2-CE3 3.6Å; F260-W276 HydrophobicContact CE2-CE3 3.6Å; F260-W276 AromaticContact CE2-CZ3 3.94Å; F260-W276 HydrophobicContact CE2-CZ3 3.94Å; F260-W276 HydrophobicContact CG-CE3 4.09Å; F260-W276 HydrophobicContact CZ-CB 4.48Å; F260-W276 AromaticContact CZ-CE3 3.9Å; F260-W276 HydrophobicContact CZ-CE3 3.9Å; F260-P290 HydrophobicContact CZ-CG 4.11Å; F260-W323 HydrophobicContact CB-CH2 3.67Å; F260-W323 HydrophobicContact CB-CZ3 4.02Å
261	M	98.6	Very high	95.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.8	161.9	-67	-175.9	-73.4	0	0	108.2	R275 F277 I327 F338 A339 W349 F353	M261-R275 PolarHBondContact N-O 3.29Å; M261-R275 PolarHBondContact O-N 2.99Å; M261-F277 HydrophobicContact CB-CD2 3.72Å; M261-F277 HydrophobicContact CB-CE2 3.62Å; M261-F277 HydrophobicContact CB-CZ 4.44Å; M261-F277 HydrophobicContact CE-CB 3.74Å; M261-F277 HydrophobicContact CE-CD1 3.68Å; M261-F277 HydrophobicContact CE-CD2 3.7Å; M261-F277 HydrophobicContact CE-CE1 4.1Å; M261-F277 HydrophobicContact CE-CE2 4.13Å; M261-F277 HydrophobicContact CE-CG 3.43Å; M261-F277 VanDerWaalsContact CE-CG 3.43Å; M261-F277 HydrophobicContact CE-CZ 4.29Å; M261-F277 HydrophobicContact CG-CD2 4.36Å; M261-I327 HydrophobicContact SD-CD1 4.24Å; M261-F338 HydrophobicContact CB-CB 4.48Å; M261-F338 HydrophobicContact CE-CD2 4.24Å; M261-F338 HydrophobicContact SD-CB 4.12Å; M261-F338 HydrophobicContact SD-CD2 4.41Å; M261-A339 CarbonylContact C-O 3.49Å; M261-A339 WeakPolarHBondContact CA-O 3.25Å; M261-A339 WeakPolarHBondContact CB-O 3.39Å; M261-W349 HydrophobicContact CE-CD2 3.69Å; M261-W349 HydrophobicContact CE-CE3 3.91Å; M261-W349 HydrophobicContact CE-CG 4.26Å; M261-W349 HydrophobicContact CE-CH2 4.06Å; M261-W349 HydrophobicContact CE-CZ2 3.82Å; M261-W349 HydrophobicContact CE-CZ3 4.09Å; M261-W349 HydrophobicContact SD-CB 4.38Å; M261-W349 HydrophobicContact SD-CD2 3.8Å; M261-W349 HydrophobicContact SD-CG 3.71Å; M261-F353 HydrophobicContact CE-CZ 4.49Å
262	E	98.3	Very high	95.4	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.8	163.8	-64.3	-168.1	135.2	0	0	110.3	F272 H322 W323 F338 A339	E262-F272 HydrophobicContact CB-CB 4.14Å; E262-F272 HydrophobicContact CB-CD1 3.83Å; E262-F272 HydrophobicContact CB-CG 4.48Å; E262-H322 IonicContact OE1-CD2 3.8Å; E262-H322 PolarHBondContact OE2-N 3.12Å; E262-W323 HydrophobicContact CB-CE3 4.42Å; E262-W323 HydrophobicContact CG-CB 4.35Å; E262-W323 HydrophobicContact CG-CD2 3.79Å; E262-W323 HydrophobicContact CG-CE3 3.72Å; E262-W323 HydrophobicContact CG-CG 4.1Å; E262-W323 HydrophobicContact CG-CZ3 4.4Å; E262-W323 PolarHBondContact OE2-N 3.12Å; E262-W323 VanDerWaalsContact OE2-N 3.1Å; E262-F338 CarbonylContact O-C 3.5Å; E262-F338 WeakPolarHBondContact O-CA 3.48Å; E262-A339 HydrophobicContact CB-CB 4.33Å; E262-A339 PolarHBondContact N-O 2.97Å; E262-A339 PolarHBondContact O-N 3.16Å
263	K	97.6	Very high	95.4	Very high	27 Å²	27	52.5 Å²	52.5	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.7	172.7	64.9	167.6	-56.8	-60	0	112.8	F272 K273 R275 F277 Y286 F338	K263-F272 CarbonylContact O-C 3.5Å; K263-F272 WeakPolarHBondContact O-CA 3.32Å; K263-K273 PolarHBondContact N-O 3.03Å; K263-K273 PolarHBondContact O-N 2.77Å; K263-R275 HydrophobicContact CD-CG 4.04Å; K263-R275 HydrophobicContact CG-CG 3.99Å; K263-F277 HydrophobicContact CB-CZ 4.03Å; K263-F277 HydrophobicContact CD-CZ 3.81Å; K263-F277 HydrophobicContact CG-CZ 4.11Å; K263-Y286 HydrophobicContact CD-CD1 4.24Å; K263-Y286 HydrophobicContact CD-CD2 3.74Å; K263-Y286 HydrophobicContact CD-CE1 4.33Å; K263-Y286 HydrophobicContact CD-CE2 3.84Å; K263-Y286 HydrophobicContact CD-CG 3.95Å; K263-F338 HydrophobicContact CB-CD1 3.66Å; K263-F338 HydrophobicContact CB-CE1 3.98Å
264	T	96.7	Very high	95.6	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.049	28%	0.282	C	S	.	.			trans	-98.1	173.8	168.8	-176.6	0	0	0	0	112.1	H268 E270 F272 L337	T264-H268 HydrophobicContact CG2-CB 4.36Å; T264-E270 WeakPolarHBondContact CB-O 3.42Å; T264-E270 PolarHBondContact OG1-O 2.64Å; T264-F272 HydrophobicContact CG2-CE1 4.4Å; T264-F272 HydrophobicContact CG2-CE2 4Å; T264-F272 HydrophobicContact CG2-CZ 3.86Å; T264-L337 HydrophobicContact CG2-CB 3.85Å; T264-L337 HydrophobicContact CG2-CD1 4.19Å; T264-L337 HydrophobicContact CG2-CG 4.32Å
265	G	93.5	Very high	95.8	Very high	19 Å²	19	52.9 Å²	52.9	20%	0.196	27%	0.274	C	S	.	.			trans	-80.5	-177	175.9	0	0	0	0	0	113.1	K267 H268 E270	G265-K267 VanDerWaalsContact C-N 3.26Å; G265-K267 PolarHBondContact O-N 3.13Å; G265-H268 PolarHBondContact O-CD2 3.42Å; G265-H268 PolarHBondContact O-N 2.99Å; G265-E270 VanDerWaalsContact CA-OE2 3.24Å; G265-E270 WeakPolarHBondContact CA-OE2 3.48Å; G265-E270 PolarHBondContact N-OE2 2.63Å
266	P	91.5	Very high	95.9	Very high	81 Å²	81	53.9 Å²	53.9	53%	0.526	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.2	-176.3	26.7	-34.3	0	0	0	114.1	H268 E270	P266-H268 VanDerWaalsContact C-N 3.34Å; P266-E270 WeakPolarHBondContact CD-OE1 3.34Å
267	K	91.1	Very high	96	Very high	160 Å²	160	51.2 Å²	51.2	70%	0.696	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.2	178.3	-61.4	-179.4	178.1	-178.4	0	112.9	G265 T269 E270	G265-K267 VanDerWaalsContact C-N 3.26Å; G265-K267 PolarHBondContact O-N 3.13Å; K267-T269 PolarHBondContact O-N 2.83Å; K267-E270 PolarHBondContact N-OE1 3.48Å; K267-E270 PolarHBondContact N-OE2 2.98Å
268	H	91.6	Very high	96.1	Very high	56 Å²	56	49.5 Å²	49.5	26%	0.259	26%	0.257	S	S	.	.	S	Bend	trans	60.3	6.4	-176.1	-48.4	151.5	0	0	0	114.8	T264 G265 P266 E270 K335 L337	T264-H268 HydrophobicContact CG2-CB 4.36Å; G265-H268 PolarHBondContact O-CD2 3.42Å; G265-H268 PolarHBondContact O-N 2.99Å; P266-H268 VanDerWaalsContact C-N 3.34Å; H268-E270 PolarHBondContact N-OE2 3.33Å; H268-E270 VanDerWaalsContact N-OE2 3.13Å; H268-K335 PolarHBondContact NE2-O 3.43Å; H268-L337 HydrophobicContact CB-CD1 3.91Å
269	T	90.2	Very high	96.1	Very high	121 Å²	121	47.6 Å²	47.6	74%	0.742	25%	0.248	S	C	*	.			trans	-104.9	-12.9	176.1	54.1	0	0	0	0	111.9	K267	K267-T269 PolarHBondContact O-N 2.83Å
270	E	93.5	Very high	95.9	Very high	63 Å²	63	47.8 Å²	47.8	29%	0.294	25%	0.246	S	C	.	.	S	Bend	trans	-67.7	141.4	171.9	-54	94.1	152.4	0	0	110.1	T264 G265 P266 K267 H268	T264-E270 WeakPolarHBondContact CB-O 3.42Å; T264-E270 PolarHBondContact OG1-O 2.64Å; G265-E270 VanDerWaalsContact CA-OE2 3.24Å; G265-E270 WeakPolarHBondContact CA-OE2 3.48Å; G265-E270 PolarHBondContact N-OE2 2.63Å; P266-E270 WeakPolarHBondContact CD-OE1 3.34Å; K267-E270 PolarHBondContact N-OE1 3.48Å; K267-E270 PolarHBondContact N-OE2 2.98Å; H268-E270 PolarHBondContact N-OE2 3.33Å; H268-E270 VanDerWaalsContact N-OE2 3.13Å
271	G	93.8	Very high	95.7	Very high	47 Å²	47	46.6 Å²	46.6	49%	0.485	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-56.6	142.7	177	0	0	0	0	0	112.3
272	F	97.4	Very high	95.5	Very high	19 Å²	19	47 Å²	47	8%	0.083	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-64.8	143.4	176.9	-82.5	-111.8	0	0	0	110.6	E262 K263 T264 L314 T318 G320 Y321 L337	E262-F272 HydrophobicContact CB-CB 4.14Å; E262-F272 HydrophobicContact CB-CD1 3.83Å; E262-F272 HydrophobicContact CB-CG 4.48Å; K263-F272 CarbonylContact O-C 3.5Å; K263-F272 WeakPolarHBondContact O-CA 3.32Å; T264-F272 HydrophobicContact CG2-CE1 4.4Å; T264-F272 HydrophobicContact CG2-CE2 4Å; T264-F272 HydrophobicContact CG2-CZ 3.86Å; F272-L314 HydrophobicContact CE1-CD1 4.49Å; F272-L314 HydrophobicContact CZ-CD1 4.18Å; F272-T318 HydrophobicContact CE2-CG2 3.71Å; F272-T318 HydrophobicContact CZ-CG2 3.69Å; F272-G320 WeakPolarHBondContact CB-O 3.32Å; F272-G320 PolarHBondContact N-O 3.43Å; F272-Y321 HydrophobicContact CE2-CD1 4.41Å; F272-L337 HydrophobicContact CZ-CB 4.21Å
273	K	97.3	Very high	95.4	Very high	121 Å²	121	47.5 Å²	47.5	53%	0.526	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.6	178.5	-58.7	-175.8	-178	177.1	0	110	K263 R275	K263-K273 PolarHBondContact N-O 3.03Å; K263-K273 PolarHBondContact O-N 2.77Å; K273-R275 VanDerWaalsContact CD-NH2 3.32Å; K273-R275 PolarHBondContact O-N 2.91Å
274	K	97.9	Very high	95.4	Very high	97 Å²	97	46.2 Å²	46.2	42%	0.422	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	128.5	170.1	-173.9	170.9	-174.2	167.2	0	110.7	F260 W323	F260-K274 HydrophobicContact CB-CG 4.26Å; F260-K274 HydrophobicContact CD1-CD 4.1Å; F260-K274 VanDerWaalsContact CD1-CE 3.46Å; F260-K274 HydrophobicContact CD1-CG 3.63Å; F260-K274 HydrophobicContact CE1-CG 4.33Å; F260-K274 HydrophobicContact CG-CD 4.37Å; F260-K274 HydrophobicContact CG-CG 4.21Å; K274-W323 HydrophobicContact CD-CH2 4.04Å; K274-W323 HydrophobicContact CD-CZ2 4.09Å; K274-W323 HydrophobicContact CG-CH2 4.26Å
275	R	98.5	Very high	95.5	Very high	51 Å²	51	45.9 Å²	45.9	19%	0.192	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.3	177.9	-65.5	-67.4	178.3	-96.5	2.9	109.8	F260 M261 K263 K273 F277 Y286 F287	F260-R275 WeakPolarHBondContact CA-O 3.45Å; F260-R275 WeakPolarHBondContact CD1-O 3.28Å; M261-R275 PolarHBondContact N-O 3.29Å; M261-R275 PolarHBondContact O-N 2.99Å; K263-R275 HydrophobicContact CD-CG 4.04Å; K263-R275 HydrophobicContact CG-CG 3.99Å; K273-R275 VanDerWaalsContact CD-NH2 3.32Å; K273-R275 PolarHBondContact O-N 2.91Å; R275-F277 HydrophobicContact CB-CD2 4.14Å; R275-F277 HydrophobicContact CB-CE2 3.71Å; R275-F277 HydrophobicContact CB-CZ 4.46Å; R275-F277 WeakPolarHBondContact O-CD2 3.22Å; R275-Y286 HydrophobicContact CG-CD2 4.29Å; R275-F287 CarbonylContact C-O 3.57Å; R275-F287 VanDerWaalsContact CA-O 3.29Å; R275-F287 WeakPolarHBondContact CA-O 3.41Å; R275-F287 WeakPolarHBondContact CB-O 3.45Å; R275-F287 WeakPolarHBondContact CD-O 3.46Å
276	W	98.5	Very high	95.7	Very high	42 Å²	42	46.2 Å²	46.2	16%	0.159	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.7	168.1	179.8	-94.4	0	0	0	108.6	E258 F260 T278 Y286 F287 P290	E258-W276 HydrophobicContact CB-CH2 4.28Å; E258-W276 HydrophobicContact CB-CZ2 3.5Å; E258-W276 VanDerWaalsContact CB-CZ2 3.5Å; E258-W276 HydrophobicContact CG-CZ2 4.48Å; E258-W276 PolarHBondContact OE1-NE1 2.77Å; F260-W276 HydrophobicContact CD1-CB 4.29Å; F260-W276 HydrophobicContact CD1-CE3 4.35Å; F260-W276 AromaticContact CD2-CE3 3.7Å; F260-W276 HydrophobicContact CD2-CE3 3.7Å; F260-W276 AromaticContact CD2-CZ3 3.96Å; F260-W276 HydrophobicContact CD2-CZ3 3.96Å; F260-W276 HydrophobicContact CE1-CB 3.99Å; F260-W276 HydrophobicContact CE1-CE3 4.27Å; F260-W276 AromaticContact CE2-CE3 3.6Å; F260-W276 HydrophobicContact CE2-CE3 3.6Å; F260-W276 AromaticContact CE2-CZ3 3.94Å; F260-W276 HydrophobicContact CE2-CZ3 3.94Å; F260-W276 HydrophobicContact CG-CE3 4.09Å; F260-W276 HydrophobicContact CZ-CB 4.48Å; F260-W276 AromaticContact CZ-CE3 3.9Å; F260-W276 HydrophobicContact CZ-CE3 3.9Å; W276-T278 PolarHBondContact NE1-OG1 3.48Å; W276-Y286 CarbonylContact O-C 3.57Å; W276-Y286 VanDerWaalsContact O-CA 3.24Å; W276-Y286 WeakPolarHBondContact O-CA 3.46Å; W276-F287 HydrophobicContact CB-CB 4.38Å; W276-F287 PolarHBondContact N-O 3.36Å; W276-F287 PolarHBondContact O-N 3.43Å; W276-P290 HydrophobicContact CB-CB 4.44Å; W276-P290 HydrophobicContact CB-CG 4.04Å; W276-P290 HydrophobicContact CD2-CB 3.83Å; W276-P290 HydrophobicContact CD2-CG 3.66Å; W276-P290 HydrophobicContact CE3-CB 4.36Å; W276-P290 HydrophobicContact CE3-CG 3.76Å; W276-P290 HydrophobicContact CG-CB 3.84Å; W276-P290 HydrophobicContact CG-CG 3.79Å; W276-P290 HydrophobicContact CZ3-CG 4.43Å
277	F	98.7	Very high	96	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.7	177.1	-75.4	-103.5	0	0	0	110.7	E258 G259 M261 K263 R275 L284 M285 Y286 F338 W349	E258-F277 WeakPolarHBondContact CA-O 3.49Å; E258-F277 WeakPolarHBondContact CB-O 3.49Å; G259-F277 PolarHBondContact N-O 2.99Å; G259-F277 VanDerWaalsContact N-O 3.12Å; G259-F277 PolarHBondContact O-N 2.63Å; M261-F277 HydrophobicContact CB-CD2 3.72Å; M261-F277 HydrophobicContact CB-CE2 3.62Å; M261-F277 HydrophobicContact CB-CZ 4.44Å; M261-F277 HydrophobicContact CE-CB 3.74Å; M261-F277 HydrophobicContact CE-CD1 3.68Å; M261-F277 HydrophobicContact CE-CD2 3.7Å; M261-F277 HydrophobicContact CE-CE1 4.1Å; M261-F277 HydrophobicContact CE-CE2 4.13Å; M261-F277 HydrophobicContact CE-CG 3.43Å; M261-F277 VanDerWaalsContact CE-CG 3.43Å; M261-F277 HydrophobicContact CE-CZ 4.29Å; M261-F277 HydrophobicContact CG-CD2 4.36Å; K263-F277 HydrophobicContact CB-CZ 4.03Å; K263-F277 HydrophobicContact CD-CZ 3.81Å; K263-F277 HydrophobicContact CG-CZ 4.11Å; R275-F277 HydrophobicContact CB-CD2 4.14Å; R275-F277 HydrophobicContact CB-CE2 3.71Å; R275-F277 HydrophobicContact CB-CZ 4.46Å; R275-F277 WeakPolarHBondContact O-CD2 3.22Å; F277-L284 HydrophobicContact CB-CD1 4.37Å; F277-L284 HydrophobicContact CD1-CD1 3.83Å; F277-L284 HydrophobicContact CD1-CD2 4.04Å; F277-L284 HydrophobicContact CD1-CG 3.93Å; F277-L284 HydrophobicContact CE1-CD2 4.15Å; F277-L284 HydrophobicContact CE1-CG 4.44Å; F277-M285 CarbonylContact C-O 3.57Å; F277-M285 VanDerWaalsContact CA-O 3.29Å; F277-M285 WeakPolarHBondContact CA-O 3.38Å; F277-Y286 AromaticContact CE1-CD1 3.98Å; F277-Y286 HydrophobicContact CE1-CD1 3.98Å; F277-Y286 HydrophobicContact CE1-CG 4.12Å; F277-Y286 HydrophobicContact CZ-CG 4.36Å; F277-F338 HydrophobicContact CE1-CD1 4.29Å; F277-F338 AromaticContact CE1-CE1 3.87Å; F277-F338 HydrophobicContact CE1-CE1 3.87Å; F277-F338 HydrophobicContact CE1-CE2 4.3Å; F277-F338 AromaticContact CE1-CZ 3.87Å; F277-F338 HydrophobicContact CE1-CZ 3.87Å; F277-F338 AromaticContact CZ-CD1 3.93Å; F277-F338 HydrophobicContact CZ-CD1 3.93Å; F277-F338 AromaticContact CZ-CE1 3.85Å; F277-F338 HydrophobicContact CZ-CE1 3.85Å; F277-F338 HydrophobicContact CZ-CG 4.49Å; F277-F338 HydrophobicContact CZ-CZ 4.31Å; F277-W349 HydrophobicContact CB-CH2 3.59Å; F277-W349 HydrophobicContact CB-CZ2 3.82Å; F277-W349 HydrophobicContact CB-CZ3 4.45Å
278	T	98.4	Very high	96.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.2	173.1	-60.3	0	0	0	0	108.6	F255 E258 W276 M285	F255-T278 HydrophobicContact CB-CG2 3.95Å; F255-T278 HydrophobicContact CD1-CG2 3.47Å; F255-T278 VanDerWaalsContact CD1-CG2 3.47Å; F255-T278 HydrophobicContact CD2-CG2 3.47Å; F255-T278 VanDerWaalsContact CD2-CG2 3.47Å; F255-T278 HydrophobicContact CE1-CG2 3.72Å; F255-T278 HydrophobicContact CE2-CG2 3.7Å; F255-T278 HydrophobicContact CG-CG2 3.33Å; F255-T278 HydrophobicContact CZ-CG2 3.83Å; E258-T278 HydrophobicContact CG-CG2 4.03Å; E258-T278 WeakPolarHBondContact OE1-CB 3.48Å; E258-T278 WeakPolarHBondContact OE1-CG2 3.38Å; E258-T278 PolarHBondContact OE1-OG1 3.35Å; W276-T278 PolarHBondContact NE1-OG1 3.48Å; T278-M285 HydrophobicContact CG2-CE 3.76Å; T278-M285 PolarHBondContact N-O 3.26Å; T278-M285 PolarHBondContact O-N 3.22Å
279	M	97.7	Very high	96.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	99.9	174.5	-169.8	170.3	-169.8	0	0	110	F255 M256 K257 L284 W349 A352 F353 V356	F255-M279 CarbonylContact C-O 3.58Å; M256-M279 HydrophobicContact CB-CB 4.33Å; M256-M279 HydrophobicContact CB-CG 4.22Å; M256-M279 HydrophobicContact CB-SD 4.47Å; M256-M279 HydrophobicContact CE-CE 4.3Å; M256-M279 HydrophobicContact CE-SD 4.3Å; M256-M279 PolarHBondContact N-O 3.12Å; K257-M279 PolarHBondContact O-N 3.32Å; M279-L284 HydrophobicContact CB-CD1 4.24Å; M279-W349 HydrophobicContact CB-CZ3 4.1Å; M279-A352 HydrophobicContact SD-CB 3.8Å; M279-F353 HydrophobicContact CE-CD1 3.69Å; M279-F353 HydrophobicContact CE-CE1 4.15Å; M279-F353 HydrophobicContact SD-CD1 3.92Å; M279-F353 HydrophobicContact SD-CE1 3.96Å; M279-V356 HydrophobicContact CE-CB 3.78Å; M279-V356 HydrophobicContact CE-CG1 4.36Å; M279-V356 HydrophobicContact CE-CG2 3.34Å
280	D	95.2	Very high	96.8	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	94.5	172.4	-174.9	3.1	0	0	0	108.6	R253 F255 R282 R283 M285	R253-D280 IonicContact CZ-OD1 2.91Å; R253-D280 IonicContact NE-OD1 2.75Å; R253-D280 PolarHBondContact NE-OD1 2.96Å; R253-D280 IonicContact NH2-OD1 3.65Å; R253-D280 IonicContact NH2-OD2 3.95Å; F255-D280 HydrophobicContact CD1-CB 3.65Å; F255-D280 HydrophobicContact CE1-CB 3.76Å; D280-R282 PolarHBondContact O-N 2.84Å; D280-R282 VanDerWaalsContact O-N 3.12Å; D280-R283 PolarHBondContact N-O 3.29Å; D280-R283 PolarHBondContact O-N 3.33Å; D280-M285 HydrophobicContact CB-CE 3.74Å
281	D	93.4	Very high	96.9	Very high	39 Å²	39	36.2 Å²	36.2	21%	0.209	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-115.4	-175.2	-167	37.9	0	0	0	111.5	R359	D281-R359 VanDerWaalsContact CG-NH2 3.28Å; D281-R359 IonicContact OD1-CZ 3.04Å; D281-R359 IonicContact OD1-NH1 3.04Å; D281-R359 PolarHBondContact OD1-NH1 2.85Å; D281-R359 IonicContact OD1-NH2 2.63Å; D281-R359 PolarHBondContact OD1-NH2 2.78Å; D281-R359 IonicContact OD2-NH2 3.9Å; D281-R359 PolarHBondContact OD2-NH2 2.86Å
282	R	95.6	Very high	97.1	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.026	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3	177	-62.3	-165.2	176.9	-77.2	0.1	114.7	D280 F300 I301 G302 V356 R359 P360 E365	D280-R282 PolarHBondContact O-N 2.84Å; D280-R282 VanDerWaalsContact O-N 3.12Å; R282-F300 HydrophobicContact CB-CD2 4.11Å; R282-F300 HydrophobicContact CB-CE2 3.66Å; R282-F300 HydrophobicContact CB-CZ 4.04Å; R282-F300 VanDerWaalsContact CD-CZ 3.46Å; R282-F300 HydrophobicContact CG-CE2 4.43Å; R282-F300 HydrophobicContact CG-CZ 4.4Å; R282-F300 CarbonylContact O-C 3.57Å; R282-F300 WeakPolarHBondContact O-CA 3.49Å; R282-I301 WeakPolarHBondContact CB-O 3.34Å; R282-I301 WeakPolarHBondContact CD-O 3.43Å; R282-I301 WeakPolarHBondContact CG-O 3.37Å; R282-I301 PolarHBondContact NH1-O 2.74Å; R282-I301 VanDerWaalsContact NH1-O 3.15Å; R282-I301 PolarHBondContact O-N 2.78Å; R282-G302 PolarHBondContact NH1-O 3.17Å; R282-V356 HydrophobicContact CB-CG1 4.43Å; R282-V356 HydrophobicContact CG-CG1 3.74Å; R282-V356 VanDerWaalsContact NH1-CG1 3.33Å; R282-V356 PolarHBondContact NH1-O 3.2Å; R282-R359 PolarHBondContact NH2-O 2.97Å; R282-P360 PolarHBondContact NH2-O 3.1Å; R282-E365 IonicContact CZ-OE2 3.06Å; R282-E365 IonicContact NE-OE1 3.15Å; R282-E365 PolarHBondContact NE-OE1 2.87Å; R282-E365 IonicContact NE-OE2 2.73Å; R282-E365 PolarHBondContact NE-OE2 3.37Å; R282-E365 IonicContact NH2-OE2 2.83Å; R282-E365 PolarHBondContact NH2-OE2 3.43Å
283	R	95.5	Very high	97	Very high	25 Å²	25	35.3 Å²	35.3	9%	0.094	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	105.2	-176.5	-173.8	176.7	-76.3	-125.2	4.7	110.2	T207 D280 M285 E298 F372	T207-R283 WeakPolarHBondContact OG1-CD 3.49Å; T207-R283 PolarHBondContact OG1-NH1 3.15Å; D280-R283 PolarHBondContact N-O 3.29Å; D280-R283 PolarHBondContact O-N 3.33Å; R283-M285 HydrophobicContact CG-CG 3.92Å; R283-M285 HydrophobicContact CG-SD 4.38Å; R283-E298 VanDerWaalsContact CD-OE2 3.3Å; R283-E298 WeakPolarHBondContact CD-OE2 3.46Å; R283-E298 IonicContact CZ-OE2 3.7Å; R283-E298 IonicContact NE-OE2 3.68Å; R283-E298 IonicContact NH1-OE1 3.2Å; R283-E298 IonicContact NH1-OE2 2.82Å; R283-E298 PolarHBondContact NH1-OE2 2.79Å; R283-F372 HydrophobicContact CG-CZ 4.02Å; R283-F372 VanDerWaalsContact CZ-CZ 3.42Å
284	L	97.6	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.2	171.1	-178	70.3	0	0	0	109.5	F277 M279 E298 V299 I301 I329 F338 W349 F353	F277-L284 HydrophobicContact CB-CD1 4.37Å; F277-L284 HydrophobicContact CD1-CD1 3.83Å; F277-L284 HydrophobicContact CD1-CD2 4.04Å; F277-L284 HydrophobicContact CD1-CG 3.93Å; F277-L284 HydrophobicContact CE1-CD2 4.15Å; F277-L284 HydrophobicContact CE1-CG 4.44Å; M279-L284 HydrophobicContact CB-CD1 4.24Å; L284-E298 CarbonylContact O-C 3.52Å; L284-E298 WeakPolarHBondContact O-CA 3.29Å; L284-V299 HydrophobicContact CB-CB 4.27Å; L284-V299 PolarHBondContact N-O 3.09Å; L284-V299 PolarHBondContact O-N 2.83Å; L284-I301 HydrophobicContact CB-CD1 4.32Å; L284-I301 HydrophobicContact CB-CG1 4.09Å; L284-I301 HydrophobicContact CD2-CD1 4.46Å; L284-I329 HydrophobicContact CD2-CD1 4.42Å; L284-F338 HydrophobicContact CD2-CE2 3.76Å; L284-F338 HydrophobicContact CD2-CZ 3.88Å; L284-W349 HydrophobicContact CD1-CZ3 4.2Å; L284-F353 HydrophobicContact CD1-CE1 4.03Å; L284-F353 HydrophobicContact CD1-CZ 4.14Å; L284-F353 HydrophobicContact CD2-CE1 3.9Å; L284-F353 HydrophobicContact CD2-CZ 3.97Å; L284-F353 HydrophobicContact CG-CE1 4.46Å
285	M	97.6	Very high	96.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.6	179.2	-59.6	167.2	-75.8	0	0	109.6	T207 F277 T278 D280 R283 F287 A295 E298	T207-M285 VanDerWaalsContact CB-SD 3.57Å; T207-M285 HydrophobicContact CG2-SD 3.6Å; T207-M285 PolarHBondContact OG1-SD 3.41Å; F277-M285 CarbonylContact C-O 3.57Å; F277-M285 VanDerWaalsContact CA-O 3.29Å; F277-M285 WeakPolarHBondContact CA-O 3.38Å; T278-M285 HydrophobicContact CG2-CE 3.76Å; T278-M285 PolarHBondContact N-O 3.26Å; T278-M285 PolarHBondContact O-N 3.22Å; D280-M285 HydrophobicContact CB-CE 3.74Å; R283-M285 HydrophobicContact CG-CG 3.92Å; R283-M285 HydrophobicContact CG-SD 4.38Å; M285-F287 HydrophobicContact CB-CE2 3.54Å; M285-F287 HydrophobicContact CB-CZ 3.76Å; M285-F287 HydrophobicContact SD-CZ 4.26Å; M285-A295 HydrophobicContact CB-CB 4.15Å; M285-E298 HydrophobicContact CG-CG 4.08Å
286	Y	98	Very high	96.6	Very high	26 Å²	26	33.2 Å²	33.2	10%	0.102	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.1	173.4	56.9	-93.9	0	0	0	113	K263 R275 W276 F277 R296 G297 V299	K263-Y286 HydrophobicContact CD-CD1 4.24Å; K263-Y286 HydrophobicContact CD-CD2 3.74Å; K263-Y286 HydrophobicContact CD-CE1 4.33Å; K263-Y286 HydrophobicContact CD-CE2 3.84Å; K263-Y286 HydrophobicContact CD-CG 3.95Å; R275-Y286 HydrophobicContact CG-CD2 4.29Å; W276-Y286 CarbonylContact O-C 3.57Å; W276-Y286 VanDerWaalsContact O-CA 3.24Å; W276-Y286 WeakPolarHBondContact O-CA 3.46Å; F277-Y286 AromaticContact CE1-CD1 3.98Å; F277-Y286 HydrophobicContact CE1-CD1 3.98Å; F277-Y286 HydrophobicContact CE1-CG 4.12Å; F277-Y286 HydrophobicContact CZ-CG 4.36Å; Y286-R296 HydrophobicContact CD2-CB 3.87Å; Y286-R296 HydrophobicContact CE2-CB 3.84Å; Y286-R296 WeakPolarHBondContact O-CB 3.5Å; Y286-R296 PolarHBondContact O-N 2.79Å; Y286-G297 WeakPolarHBondContact CD1-O 3.11Å; Y286-G297 VanDerWaalsContact CE1-C 3.49Å; Y286-G297 WeakPolarHBondContact CE1-O 3.37Å; Y286-G297 PolarHBondContact N-O 2.86Å; Y286-G297 VanDerWaalsContact N-O 3.09Å; Y286-V299 HydrophobicContact CE1-CG2 4.17Å
287	F	97.6	Very high	96.4	Very high	1 Å²	1	32 Å²	32	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.6	-170.4	-54.8	-94.7	0	0	0	110.8	N209 R275 W276 M285 D289 D292 Y294 A295	N209-F287 WeakPolarHBondContact ND2-CE1 3.33Å; N209-F287 WeakPolarHBondContact ND2-CZ 3.39Å; R275-F287 CarbonylContact C-O 3.57Å; R275-F287 VanDerWaalsContact CA-O 3.29Å; R275-F287 WeakPolarHBondContact CA-O 3.41Å; R275-F287 WeakPolarHBondContact CB-O 3.45Å; R275-F287 WeakPolarHBondContact CD-O 3.46Å; W276-F287 HydrophobicContact CB-CB 4.38Å; W276-F287 PolarHBondContact N-O 3.36Å; W276-F287 PolarHBondContact O-N 3.43Å; M285-F287 HydrophobicContact CB-CE2 3.54Å; M285-F287 HydrophobicContact CB-CZ 3.76Å; M285-F287 HydrophobicContact SD-CZ 4.26Å; F287-D289 VanDerWaalsContact CB-O 3.22Å; F287-D289 WeakPolarHBondContact CB-O 3.49Å; F287-D292 HydrophobicContact CB-CB 4.16Å; F287-D292 HydrophobicContact CD1-CB 3.86Å; F287-D292 HydrophobicContact CG-CB 4.46Å; F287-Y294 WeakPolarHBondContact CD1-O 3.29Å; F287-A295 VanDerWaalsContact CD1-CA 3.49Å; F287-A295 HydrophobicContact CD1-CB 4.16Å; F287-A295 HydrophobicContact CE1-CB 3.69Å; F287-A295 VanDerWaalsContact CE1-N 3.26Å; F287-A295 HydrophobicContact CZ-CB 3.9Å
288	K	96.6	Very high	96.2	Very high	137 Å²	137	33.1 Å²	33.1	60%	0.596	16%	0.159	S	C	*	.	S	Bend	trans	-75	-46.5	170.7	-177.9	-173.8	175.4	-172.5	0	108.8	D292	K288-D292 WeakPolarHBondContact CA-OD2 3.45Å; K288-D292 WeakPolarHBondContact CB-OD2 3.36Å; K288-D292 PolarHBondContact N-OD2 3.46Å
289	D	95.9	Very high	96	Very high	77 Å²	77	33.3 Å²	33.3	41%	0.412	16%	0.161	S	C	.	.	S	Bend	trans	-120.4	143.2	176.1	-172.5	-85.1	0	0	0	110.2	F287 L291 D292	F287-D289 VanDerWaalsContact CB-O 3.22Å; F287-D289 WeakPolarHBondContact CB-O 3.49Å; D289-L291 PolarHBondContact O-N 2.89Å; D289-L291 VanDerWaalsContact O-N 3.12Å; D289-L291 WeakPolarHBondContact OD1-CB 3.43Å; D289-L291 PolarHBondContact OD1-N 3.33Å; D289-D292 PolarHBondContact N-OD2 3.36Å; D289-D292 VanDerWaalsContact O-CB 3.28Å; D289-D292 WeakPolarHBondContact O-CB 3.31Å; D289-D292 PolarHBondContact O-N 2.77Å
290	P	97.3	Very high	95.9	Very high	24 Å²	24	33.8 Å²	33.8	16%	0.156	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.7	178.8	-22.6	32.5	0	0	0	114.4	K190 F260 W276	K190-P290 HydrophobicContact CD-CB 4.15Å; K190-P290 HydrophobicContact CG-CB 3.84Å; F260-P290 HydrophobicContact CZ-CG 4.11Å; W276-P290 HydrophobicContact CB-CB 4.44Å; W276-P290 HydrophobicContact CB-CG 4.04Å; W276-P290 HydrophobicContact CD2-CB 3.83Å; W276-P290 HydrophobicContact CD2-CG 3.66Å; W276-P290 HydrophobicContact CE3-CB 4.36Å; W276-P290 HydrophobicContact CE3-CG 3.76Å; W276-P290 HydrophobicContact CG-CB 3.84Å; W276-P290 HydrophobicContact CG-CG 3.79Å; W276-P290 HydrophobicContact CZ3-CG 4.43Å
291	L	97.4	Very high	96	Very high	31 Å²	31	33.1 Å²	33.1	16%	0.162	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	12.3	178.6	-62	178.1	0	0	0	113.4	K190 I191 F211 D289 A293	K190-L291 HydrophobicContact CD-CD2 4.48Å; K190-L291 HydrophobicContact CG-CD2 4.03Å; I191-L291 HydrophobicContact CG1-CD2 4.2Å; F211-L291 HydrophobicContact CD1-CD2 3.72Å; F211-L291 HydrophobicContact CD2-CD2 4.15Å; F211-L291 HydrophobicContact CE1-CD2 3.65Å; F211-L291 HydrophobicContact CE2-CB 4.21Å; F211-L291 HydrophobicContact CE2-CD2 4.1Å; F211-L291 VanDerWaalsContact CE2-O 3.25Å; F211-L291 WeakPolarHBondContact CE2-O 3.36Å; F211-L291 HydrophobicContact CG-CD2 3.96Å; F211-L291 HydrophobicContact CZ-CB 4.44Å; F211-L291 HydrophobicContact CZ-CD2 3.85Å; D289-L291 PolarHBondContact O-N 2.89Å; D289-L291 VanDerWaalsContact O-N 3.12Å; D289-L291 WeakPolarHBondContact OD1-CB 3.43Å; D289-L291 PolarHBondContact OD1-N 3.33Å; L291-A293 PolarHBondContact O-N 2.82Å
292	D	97	Very high	96.2	Very high	37 Å²	37	31.3 Å²	31.3	20%	0.198	15%	0.149	C	C	.	.			trans	-60	136.5	172.4	-84.2	-22.6	0	0	0	110.5	N209 F287 K288 D289 Y294	N209-D292 PolarHBondContact ND2-O 2.9Å; F287-D292 HydrophobicContact CB-CB 4.16Å; F287-D292 HydrophobicContact CD1-CB 3.86Å; F287-D292 HydrophobicContact CG-CB 4.46Å; K288-D292 WeakPolarHBondContact CA-OD2 3.45Å; K288-D292 WeakPolarHBondContact CB-OD2 3.36Å; K288-D292 PolarHBondContact N-OD2 3.46Å; D289-D292 PolarHBondContact N-OD2 3.36Å; D289-D292 VanDerWaalsContact O-CB 3.28Å; D289-D292 WeakPolarHBondContact O-CB 3.31Å; D289-D292 PolarHBondContact O-N 2.77Å; D292-Y294 VanDerWaalsContact C-N 3.29Å; D292-Y294 PolarHBondContact O-N 3.02Å
293	A	96	Very high	96.3	Very high	11 Å²	11	31 Å²	31	9%	0.091	15%	0.148	C	C	.	.	S	Bend	trans	-66.7	-29.4	178.3	0	0	0	0	0	113.3	R143 R208 N209 L291	R143-A293 HydrophobicContact CG-CB 3.7Å; R208-A293 WeakPolarHBondContact CD-O 3.24Å; N209-A293 PolarHBondContact N-O 2.78Å; L291-A293 PolarHBondContact O-N 2.82Å
294	Y	95.4	Very high	96.4	Very high	57 Å²	57	35.1 Å²	35.1	22%	0.224	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-135.4	145.9	-177.7	-70.2	-81	0	0	0	110.4	R208 F287 D292	R208-Y294 HydrophobicContact CB-CD1 4.47Å; R208-Y294 HydrophobicContact CB-CE1 3.89Å; R208-Y294 HydrophobicContact CG-CE1 4.27Å; R208-Y294 VanDerWaalsContact NH1-CZ 3.3Å; R208-Y294 PolarHBondContact NH1-OH 3.41Å; F287-Y294 WeakPolarHBondContact CD1-O 3.29Å; D292-Y294 VanDerWaalsContact C-N 3.29Å; D292-Y294 PolarHBondContact O-N 3.02Å
295	A	94.7	Very high	96.3	Very high	16 Å²	16	40.2 Å²	40.2	13%	0.132	19%	0.191	C	C	.	.			trans	-66.1	147.6	173	0	0	0	0	0	110.8	M285 F287 E298	M285-A295 HydrophobicContact CB-CB 4.15Å; F287-A295 VanDerWaalsContact CD1-CA 3.49Å; F287-A295 HydrophobicContact CD1-CB 4.16Å; F287-A295 HydrophobicContact CE1-CB 3.69Å; F287-A295 VanDerWaalsContact CE1-N 3.26Å; F287-A295 HydrophobicContact CZ-CB 3.9Å; A295-E298 HydrophobicContact CB-CG 3.73Å
296	R	94.4	Very high	96.2	Very high	151 Å²	151	42.2 Å²	42.2	57%	0.57	20%	0.201	S	C	*	.	S	Bend	trans	-72.6	-24.2	167.7	-63.3	-64.1	-179.7	167.7	-4	111.5	Y286	Y286-R296 HydrophobicContact CD2-CB 3.87Å; Y286-R296 HydrophobicContact CE2-CB 3.84Å; Y286-R296 WeakPolarHBondContact O-CB 3.5Å; Y286-R296 PolarHBondContact O-N 2.79Å
297	G	94	Very high	96.1	Very high	17 Å²	17	44.9 Å²	44.9	18%	0.175	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	166	168.2	0	0	0	0	0	110.6	Y286	Y286-G297 WeakPolarHBondContact CD1-O 3.11Å; Y286-G297 VanDerWaalsContact CE1-C 3.49Å; Y286-G297 WeakPolarHBondContact CE1-O 3.37Å; Y286-G297 PolarHBondContact N-O 2.86Å; Y286-G297 VanDerWaalsContact N-O 3.09Å
298	E	94.9	Very high	96.1	Very high	23 Å²	23	45.1 Å²	45.1	11%	0.107	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.6	-173	-53.5	-175.3	-129.6	0	0	108	S206 T207 R283 L284 M285 A295 F372	S206-E298 VanDerWaalsContact CA-OE1 3.25Å; S206-E298 WeakPolarHBondContact CA-OE1 3.33Å; S206-E298 WeakPolarHBondContact CB-OE1 3.34Å; S206-E298 PolarHBondContact OG-OE1 3.05Å; T207-E298 PolarHBondContact N-OE1 3.12Å; T207-E298 PolarHBondContact OG1-OE2 2.73Å; T207-E298 VanDerWaalsContact OG1-OE2 3.13Å; R283-E298 VanDerWaalsContact CD-OE2 3.3Å; R283-E298 WeakPolarHBondContact CD-OE2 3.46Å; R283-E298 IonicContact CZ-OE2 3.7Å; R283-E298 IonicContact NE-OE2 3.68Å; R283-E298 IonicContact NH1-OE1 3.2Å; R283-E298 IonicContact NH1-OE2 2.82Å; R283-E298 PolarHBondContact NH1-OE2 2.79Å; L284-E298 CarbonylContact O-C 3.52Å; L284-E298 WeakPolarHBondContact O-CA 3.29Å; M285-E298 HydrophobicContact CG-CG 4.08Å; A295-E298 HydrophobicContact CB-CG 3.73Å; E298-F372 HydrophobicContact CB-CE1 3.66Å; E298-F372 HydrophobicContact CB-CZ 4.21Å
299	V	94.8	Very high	96.2	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.8	-176.8	-172.3	0	0	0	0	108.1	L284 Y286 I301 F336	L284-V299 HydrophobicContact CB-CB 4.27Å; L284-V299 PolarHBondContact N-O 3.09Å; L284-V299 PolarHBondContact O-N 2.83Å; Y286-V299 HydrophobicContact CE1-CG2 4.17Å; V299-I301 HydrophobicContact CG1-CD1 3.98Å; V299-F336 HydrophobicContact CB-CE1 4.27Å; V299-F336 HydrophobicContact CB-CZ 4.03Å; V299-F336 HydrophobicContact CG1-CD2 4.29Å; V299-F336 HydrophobicContact CG1-CE1 3.99Å; V299-F336 HydrophobicContact CG1-CE2 3.58Å; V299-F336 HydrophobicContact CG1-CZ 3.35Å; V299-F336 HydrophobicContact CG2-CD1 4.05Å; V299-F336 HydrophobicContact CG2-CE1 3.25Å; V299-F336 HydrophobicContact CG2-CE2 4.41Å; V299-F336 HydrophobicContact CG2-CZ 3.45Å; V299-F336 VanDerWaalsContact CG2-CZ 3.45Å
300	F	95.9	Very high	96.3	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.039	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.4	169.2	-173.5	-94.4	0	0	0	109.9	R282 G302 Y308 M361 E365 V368 E369 F372	R282-F300 HydrophobicContact CB-CD2 4.11Å; R282-F300 HydrophobicContact CB-CE2 3.66Å; R282-F300 HydrophobicContact CB-CZ 4.04Å; R282-F300 VanDerWaalsContact CD-CZ 3.46Å; R282-F300 HydrophobicContact CG-CE2 4.43Å; R282-F300 HydrophobicContact CG-CZ 4.4Å; R282-F300 CarbonylContact O-C 3.57Å; R282-F300 WeakPolarHBondContact O-CA 3.49Å; F300-G302 VanDerWaalsContact CE1-CA 3.46Å; F300-Y308 WeakPolarHBondContact O-CE1 3.33Å; F300-M361 HydrophobicContact CE1-CE 3.77Å; F300-M361 HydrophobicContact CE1-SD 3.95Å; F300-M361 HydrophobicContact CZ-CE 3.69Å; F300-M361 HydrophobicContact CZ-SD 4.26Å; F300-E365 HydrophobicContact CZ-CB 4.42Å; F300-V368 HydrophobicContact CD2-CG1 4.01Å; F300-V368 HydrophobicContact CE2-CB 4.27Å; F300-V368 HydrophobicContact CE2-CG1 3.92Å; F300-E369 HydrophobicContact CD1-CB 3.84Å; F300-E369 HydrophobicContact CD1-CG 3.61Å; F300-E369 HydrophobicContact CE1-CB 3.58Å; F300-E369 HydrophobicContact CE1-CG 3.67Å; F300-E369 HydrophobicContact CE2-CB 4.39Å; F300-E369 HydrophobicContact CG-CB 4.34Å; F300-E369 HydrophobicContact CG-CG 4.35Å; F300-E369 HydrophobicContact CZ-CB 3.88Å; F300-E369 HydrophobicContact CZ-CG 4.46Å; F300-F372 HydrophobicContact CB-CB 3.98Å; F300-F372 HydrophobicContact CB-CD1 4.07Å; F300-F372 HydrophobicContact CB-CD2 3.85Å; F300-F372 HydrophobicContact CB-CE2 4.32Å; F300-F372 HydrophobicContact CB-CG 3.7Å; F300-F372 HydrophobicContact CD2-CD2 4.22Å; F300-F372 HydrophobicContact CD2-CE2 4.36Å; F300-F372 HydrophobicContact CG-CD2 4.41Å
301	I	97.2	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.			trans	-109.2	96.1	175.7	-50	-59.8	0	0	0	107.7	R282 L284 V299 I329 V356 I357	R282-I301 WeakPolarHBondContact CB-O 3.34Å; R282-I301 WeakPolarHBondContact CD-O 3.43Å; R282-I301 WeakPolarHBondContact CG-O 3.37Å; R282-I301 PolarHBondContact NH1-O 2.74Å; R282-I301 VanDerWaalsContact NH1-O 3.15Å; R282-I301 PolarHBondContact O-N 2.78Å; L284-I301 HydrophobicContact CB-CD1 4.32Å; L284-I301 HydrophobicContact CB-CG1 4.09Å; L284-I301 HydrophobicContact CD2-CD1 4.46Å; V299-I301 HydrophobicContact CG1-CD1 3.98Å; I301-I329 HydrophobicContact CD1-CD1 4.11Å; I301-I329 HydrophobicContact CD1-CG2 4.22Å; I301-V356 HydrophobicContact CB-CG1 4.26Å; I301-V356 HydrophobicContact CG2-CB 4.49Å; I301-V356 HydrophobicContact CG2-CG1 4.06Å; I301-V356 WeakPolarHBondContact O-CG1 3.41Å; I301-I357 HydrophobicContact CG2-CD1 4.18Å; I301-I357 HydrophobicContact CG2-CG1 3.72Å
302	G	96.9	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.			trans	-76.4	-163.7	177.3	0	0	0	0	0	112.6	R282 F300 Y308	R282-G302 PolarHBondContact NH1-O 3.17Å; F300-G302 VanDerWaalsContact CE1-CA 3.46Å; G302-Y308 VanDerWaalsContact N-CD1 3.28Å; G302-Y308 VanDerWaalsContact N-CE1 3.35Å
303	S	97.6	Very high	96.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	24%	0.242	C	C	.	.			trans	-98.3	167.3	178.8	77.7	0	0	0	0	112.6	E305 N306 Y308 I357 R359	S303-E305 WeakPolarHBondContact CB-OE2 3.22Å; S303-E305 PolarHBondContact O-N 2.89Å; S303-E305 PolarHBondContact OG-OE2 2.77Å; S303-N306 CarbonylContact O-C 3.51Å; S303-N306 WeakPolarHBondContact O-CA 3.1Å; S303-N306 PolarHBondContact O-N 2.91Å; S303-N306 PolarHBondContact OG-OD1 2.8Å; S303-Y308 WeakPolarHBondContact O-CB 3.44Å; S303-Y308 PolarHBondContact O-N 3.12Å; S303-I357 CarbonylContact C-O 3.54Å; S303-I357 VanDerWaalsContact CA-O 3.24Å; S303-I357 WeakPolarHBondContact CA-O 3.17Å; S303-I357 WeakPolarHBondContact CB-O 3.34Å; S303-R359 VanDerWaalsContact CB-O 3.27Å; S303-R359 WeakPolarHBondContact CB-O 3.45Å
304	K	96.8	Very high	96.3	Very high	112 Å²	112	45 Å²	45	49%	0.487	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-58.7	-34.1	175.8	64	-177.3	-177.7	179.5	0	112.6	N306 S307 Y308 I357	K304-N306 PolarHBondContact O-N 2.97Å; K304-S307 PolarHBondContact O-N 3.03Å; K304-S307 VanDerWaalsContact O-N 3.1Å; K304-Y308 WeakPolarHBondContact CA-O 3.46Å; K304-I357 HydrophobicContact CB-CG2 3.9Å; K304-I357 PolarHBondContact N-O 2.89Å
305	E	96.4	Very high	96.3	Very high	107 Å²	107	44 Å²	44	50%	0.5	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-64.5	-24	176.1	-59.9	75.5	-158.5	0	0	111.9	S303	S303-E305 WeakPolarHBondContact CB-OE2 3.22Å; S303-E305 PolarHBondContact O-N 2.89Å; S303-E305 PolarHBondContact OG-OE2 2.77Å
306	N	95.3	Very high	96.1	Very high	42 Å²	42	50.1 Å²	50.1	23%	0.225	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-101.6	26.7	176.7	-63.9	106.7	0	0	0	112.4	S303 K304 Y308 P332 M361	S303-N306 CarbonylContact O-C 3.51Å; S303-N306 WeakPolarHBondContact O-CA 3.1Å; S303-N306 PolarHBondContact O-N 2.91Å; S303-N306 PolarHBondContact OG-OD1 2.8Å; K304-N306 PolarHBondContact O-N 2.97Å; N306-Y308 VanDerWaalsContact C-N 3.28Å; N306-Y308 HydrophobicContact CB-CD2 4.07Å; N306-Y308 HydrophobicContact CB-CE2 4.23Å; N306-Y308 WeakPolarHBondContact O-CD2 3.16Å; N306-Y308 WeakPolarHBondContact O-CE2 3.48Å; N306-Y308 PolarHBondContact O-N 2.79Å; N306-P332 WeakPolarHBondContact O-CG 3.45Å; N306-M361 HydrophobicContact CB-SD 4.41Å
307	S	96.3	Very high	95.8	Very high	82 Å²	82	47.9 Å²	47.9	57%	0.573	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	26.7	175.3	-47.6	0	0	0	0	115	K304	K304-S307 PolarHBondContact O-N 3.03Å; K304-S307 VanDerWaalsContact O-N 3.1Å
308	Y	97.9	Very high	95.7	Very high	6 Å²	6	47.7 Å²	47.7	2%	0.024	29%	0.289	C	S	.	.			trans	-90	130.8	168.3	-69.9	-99.1	0	0	0	110.8	F300 G302 S303 K304 N306 V330 T331 P332 I357 E369	F300-Y308 WeakPolarHBondContact O-CE1 3.33Å; G302-Y308 VanDerWaalsContact N-CD1 3.28Å; G302-Y308 VanDerWaalsContact N-CE1 3.35Å; S303-Y308 WeakPolarHBondContact O-CB 3.44Å; S303-Y308 PolarHBondContact O-N 3.12Å; K304-Y308 WeakPolarHBondContact CA-O 3.46Å; N306-Y308 VanDerWaalsContact C-N 3.28Å; N306-Y308 HydrophobicContact CB-CD2 4.07Å; N306-Y308 HydrophobicContact CB-CE2 4.23Å; N306-Y308 WeakPolarHBondContact O-CD2 3.16Å; N306-Y308 WeakPolarHBondContact O-CE2 3.48Å; N306-Y308 PolarHBondContact O-N 2.79Å; Y308-V330 WeakPolarHBondContact CA-O 3.22Å; Y308-T331 HydrophobicContact CD1-CG2 3.77Å; Y308-T331 HydrophobicContact CE1-CG2 3.5Å; Y308-T331 VanDerWaalsContact CE1-CG2 3.5Å; Y308-P332 HydrophobicContact CE2-CG 3.96Å; Y308-I357 VanDerWaalsContact O-CG2 3.27Å; Y308-I357 WeakPolarHBondContact O-CG2 3.27Å; Y308-E369 WeakPolarHBondContact CE2-OE1 3.47Å; Y308-E369 PolarHBondContact OH-OE1 3.35Å
309	T	98.1	Very high	95.5	Very high	59 Å²	59	54.3 Å²	54.3	36%	0.362	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.4	174	65.9	0	0	0	0	111.4	I329 V330	T309-I329 WeakPolarHBondContact O-CA 3.42Å; T309-V330 PolarHBondContact N-O 3.28Å; T309-V330 PolarHBondContact O-N 3.22Å; T309-V330 WeakPolarHBondContact OG1-CB 3.33Å
310	V	98.4	Very high	95.2	Very high	18 Å²	18	56.1 Å²	56.1	11%	0.109	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.6	173	60.8	0	0	0	0	109	I327 T328 I329 I350 F353 Q354 I357	V310-I327 HydrophobicContact CG2-CG2 3.72Å; V310-T328 WeakPolarHBondContact CA-O 3.36Å; V310-I329 HydrophobicContact CG2-CG1 4.34Å; V310-I350 HydrophobicContact CG2-CG1 4.28Å; V310-F353 HydrophobicContact CB-CB 4Å; V310-F353 HydrophobicContact CG1-CB 3.95Å; V310-F353 HydrophobicContact CG2-CB 3.94Å; V310-F353 HydrophobicContact CG2-CD2 4.02Å; V310-F353 HydrophobicContact CG2-CG 4.3Å; V310-Q354 HydrophobicContact CG1-CG 3.55Å; V310-I357 HydrophobicContact CB-CD1 3.88Å; V310-I357 HydrophobicContact CG1-CD1 3.86Å
311	L	97.8	Very high	95	Very high	97 Å²	97	60.1 Å²	60.1	51%	0.508	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144	-178.8	-60.3	175.7	0	0	0	109.8	T328	L311-T328 PolarHBondContact N-O 3.36Å; L311-T328 PolarHBondContact O-N 3.48Å
312	A	97.7	Very high	94.9	Very high	75 Å²	75	67 Å²	67	62%	0.62	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	138	168.2	0	0	0	0	0	109.8	I350	A312-I350 HydrophobicContact CB-CD1 3.67Å
313	G	96.3	Very high	94.8	Very high	28 Å²	28	68.4 Å²	68.4	29%	0.289	39%	0.393	S	S	.	.	S	Bend	trans	94.2	172.2	-179.3	0	0	0	0	0	114.4	G326 T328	G313-G326 WeakPolarHBondContact CA-O 3.43Å; G313-G326 PolarHBondContact N-O 3.06Å; G313-T328 PolarHBondContact O-N 3.27Å; G313-T328 PolarHBondContact O-OG1 2.87Å
314	L	96.4	Very high	94.7	Very high	37 Å²	37	74.4 Å²	74.4	19%	0.194	43%	0.425	C	S	.	.			trans	-111.8	154.9	175.6	-64	178.3	0	0	0	109.8	F272 T318 Y321 L337 F338	F272-L314 HydrophobicContact CE1-CD1 4.49Å; F272-L314 HydrophobicContact CZ-CD1 4.18Å; L314-T318 HydrophobicContact CB-CG2 4.39Å; L314-T318 HydrophobicContact CD1-CG2 4.01Å; L314-Y321 HydrophobicContact CD1-CD1 3.7Å; L314-Y321 HydrophobicContact CD1-CE1 3.91Å; L314-Y321 HydrophobicContact CD1-CG 4.02Å; L314-L337 HydrophobicContact CD2-CB 3.84Å; L314-L337 HydrophobicContact CD2-CD2 4.29Å; L314-F338 WeakPolarHBondContact CD2-O 3.19Å
315	P	94.5	Very high	94.7	Very high	38 Å²	38	71.7 Å²	71.7	25%	0.247	41%	0.414	C	S	.	.			trans	-53.6	142.3	168.9	-25.1	33.3	0	0	0	111.6	S317 T318 L337	P315-S317 PolarHBondContact O-N 2.83Å; P315-T318 WeakPolarHBondContact CD-OG1 3.46Å; P315-T318 VanDerWaalsContact O-CB 3.26Å; P315-T318 WeakPolarHBondContact O-CB 3.44Å; P315-T318 PolarHBondContact O-N 3.14Å; P315-T318 PolarHBondContact O-OG1 3.29Å; P315-L337 HydrophobicContact CG-CD1 4.36Å; P315-L337 HydrophobicContact CG-CD2 3.99Å
316	P	90.6	Very high	94.8	Very high	143 Å²	143	66.9 Å²	66.9	93%	0.929	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.7	-176.3	-27.4	34.6	0	0	0	115.2	T318	P316-T318 VanDerWaalsContact C-N 3.27Å; P316-T318 PolarHBondContact O-N 2.95Å
317	S	88.6	Confident	95	Very high	105 Å²	105	64.9 Å²	64.9	73%	0.734	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.4	178.7	55.1	0	0	0	0	114.3	P315	P315-S317 PolarHBondContact O-N 2.83Å
318	T	92.4	Very high	95.1	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.08	36%	0.358	C	S	.	.			trans	-74	133.3	-175.3	-47	0	0	0	0	110.5	F272 L314 P315 P316 Y321 L337	F272-T318 HydrophobicContact CE2-CG2 3.71Å; F272-T318 HydrophobicContact CZ-CG2 3.69Å; L314-T318 HydrophobicContact CB-CG2 4.39Å; L314-T318 HydrophobicContact CD1-CG2 4.01Å; P315-T318 WeakPolarHBondContact CD-OG1 3.46Å; P315-T318 VanDerWaalsContact O-CB 3.26Å; P315-T318 WeakPolarHBondContact O-CB 3.44Å; P315-T318 PolarHBondContact O-N 3.14Å; P315-T318 PolarHBondContact O-OG1 3.29Å; P316-T318 VanDerWaalsContact C-N 3.27Å; P316-T318 PolarHBondContact O-N 2.95Å; T318-Y321 HydrophobicContact CG2-CD1 4.18Å; T318-Y321 HydrophobicContact CG2-CE1 4.45Å; T318-Y321 WeakPolarHBondContact O-CE1 3.01Å; T318-L337 HydrophobicContact CG2-CD1 3.91Å
319	Q	90.3	Very high	95.1	Very high	161 Å²	161	61.2 Å²	61.2	75%	0.752	36%	0.357	S	S	*	.			trans	-132	165.6	179.7	-63.8	-176	-4	0	0	110.9
320	G	88.6	Confident	95	Very high	46 Å²	46	60 Å²	60	47%	0.474	35%	0.349	S	S	.	.	S	Bend	trans	79.3	16.1	170.3	0	0	0	0	0	115.9	F272	F272-G320 WeakPolarHBondContact CB-O 3.32Å; F272-G320 PolarHBondContact N-O 3.43Å
321	Y	90.8	Very high	94.9	Very high	92 Å²	92	59.6 Å²	59.6	36%	0.361	35%	0.347	S	S	.	.			trans	-91.1	154.7	167	59.3	-90.7	0	0	0	110.6	F272 L314 T318 W323	F272-Y321 HydrophobicContact CE2-CD1 4.41Å; L314-Y321 HydrophobicContact CD1-CD1 3.7Å; L314-Y321 HydrophobicContact CD1-CE1 3.91Å; L314-Y321 HydrophobicContact CD1-CG 4.02Å; T318-Y321 HydrophobicContact CG2-CD1 4.18Å; T318-Y321 HydrophobicContact CG2-CE1 4.45Å; T318-Y321 WeakPolarHBondContact O-CE1 3.01Å; Y321-W323 WeakPolarHBondContact CD2-O 3.5Å
322	H	94.5	Very high	94.7	Very high	145 Å²	145	58 Å²	58	67%	0.671	34%	0.343	S	S	*	.			trans	-114.3	-24.9	176.2	-58.7	-29.4	0	0	0	111.9	E262	E262-H322 IonicContact OE1-CD2 3.8Å; E262-H322 PolarHBondContact OE2-N 3.12Å
323	W	96.7	Very high	94.3	Very high	30 Å²	30	59.9 Å²	59.9	11%	0.114	34%	0.342	C	S	.	.			trans	-90.7	130.6	175.5	-74.6	-3.6	0	0	0	111	F260 E262 K274 Y321 A339 C340 E341	F260-W323 HydrophobicContact CB-CH2 3.67Å; F260-W323 HydrophobicContact CB-CZ3 4.02Å; E262-W323 HydrophobicContact CB-CE3 4.42Å; E262-W323 HydrophobicContact CG-CB 4.35Å; E262-W323 HydrophobicContact CG-CD2 3.79Å; E262-W323 HydrophobicContact CG-CE3 3.72Å; E262-W323 HydrophobicContact CG-CG 4.1Å; E262-W323 HydrophobicContact CG-CZ3 4.4Å; E262-W323 PolarHBondContact OE2-N 3.12Å; E262-W323 VanDerWaalsContact OE2-N 3.1Å; K274-W323 HydrophobicContact CD-CH2 4.04Å; K274-W323 HydrophobicContact CD-CZ2 4.09Å; K274-W323 HydrophobicContact CG-CH2 4.26Å; Y321-W323 WeakPolarHBondContact CD2-O 3.5Å; W323-A339 HydrophobicContact CB-CB 3.84Å; W323-A339 VanDerWaalsContact O-CB 3.23Å; W323-A339 WeakPolarHBondContact O-CB 3.43Å; W323-C340 WeakPolarHBondContact CB-O 3.24Å; W323-E341 HydrophobicContact CD2-CB 3.81Å; W323-E341 HydrophobicContact CE3-CB 4.13Å; W323-E341 HydrophobicContact CG-CB 4.25Å; W323-E341 HydrophobicContact CH2-CB 4.1Å; W323-E341 HydrophobicContact CZ2-CB 3.81Å; W323-E341 HydrophobicContact CZ2-CG 4.18Å; W323-E341 WeakPolarHBondContact CZ2-OE2 3.33Å; W323-E341 HydrophobicContact CZ3-CB 4.26Å
324	N	94.1	Very high	94.2	Very high	127 Å²	127	63.2 Å²	63.2	68%	0.679	35%	0.346	S	S	*	.			trans	-91	-7	-164.2	-64.7	-32.5	0	0	0	114.3	G326	N324-G326 PolarHBondContact O-N 2.97Å
325	H	97.9	Very high	94.2	Very high	55 Å²	55	66.6 Å²	66.6	26%	0.255	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	85	-174.2	-56.8	-77.6	0	0	0	111.1	A339 C340 E341 E343 Q346	H325-A339 WeakPolarHBondContact O-CA 3.42Å; H325-C340 HydrophobicContact CB-CB 4.18Å; H325-C340 WeakPolarHBondContact CB-O 3.33Å; H325-C340 PolarHBondContact N-O 3.01Å; H325-C340 PolarHBondContact O-N 3.34Å; H325-E341 PolarHBondContact CD2-O 3.15Å; H325-E343 PolarHBondContact CD2-N 3.3Å; H325-E343 PolarHBondContact NE2-N 2.91Å; H325-Q346 HydrophobicContact CB-CB 3.79Å; H325-Q346 HydrophobicContact CB-CG 4.06Å
326	G	97.9	Very high	94.3	Very high	5 Å²	5	65.5 Å²	65.5	5%	0.052	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	148.3	-173.3	0	0	0	0	0	116.2	G313 N324 F338 Q346	G313-G326 WeakPolarHBondContact CA-O 3.43Å; G313-G326 PolarHBondContact N-O 3.06Å; N324-G326 PolarHBondContact O-N 2.97Å; G326-F338 CarbonylContact C-O 3.57Å; G326-F338 WeakPolarHBondContact CA-O 3.47Å; G326-Q346 PolarHBondContact O-NE2 3.04Å
327	I	98.6	Very high	94.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.4	168.8	-55.2	176.1	0	0	0	108.2	M261 V310 I329 F338 Q346 W349 I350 F353	M261-I327 HydrophobicContact SD-CD1 4.24Å; V310-I327 HydrophobicContact CG2-CG2 3.72Å; I327-I329 HydrophobicContact CG2-CG1 4.37Å; I327-F338 HydrophobicContact CB-CB 4.35Å; I327-F338 PolarHBondContact N-O 3.22Å; I327-F338 PolarHBondContact O-N 2.74Å; I327-Q346 HydrophobicContact CD1-CG 4.17Å; I327-Q346 HydrophobicContact CG1-CG 3.81Å; I327-W349 HydrophobicContact CD1-CB 3.53Å; I327-W349 HydrophobicContact CD1-CG 4.38Å; I327-I350 HydrophobicContact CD1-CG1 4.07Å; I327-I350 HydrophobicContact CG1-CD1 4.34Å; I327-I350 HydrophobicContact CG1-CG1 4.07Å; I327-I350 HydrophobicContact CG2-CG1 4.23Å; I327-F353 HydrophobicContact CG2-CD2 4.36Å; I327-F353 HydrophobicContact CG2-CE2 4.37Å
328	T	98.4	Very high	95.1	Very high	10 Å²	10	53.9 Å²	53.9	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.7	173.2	-61.4	0	0	0	0	109.5	V310 L311 G313 V330 F336 L337	V310-T328 WeakPolarHBondContact CA-O 3.36Å; L311-T328 PolarHBondContact N-O 3.36Å; L311-T328 PolarHBondContact O-N 3.48Å; G313-T328 PolarHBondContact O-N 3.27Å; G313-T328 PolarHBondContact O-OG1 2.87Å; T328-V330 HydrophobicContact CG2-CG2 4.26Å; T328-F336 WeakPolarHBondContact CA-O 3.35Å; T328-L337 HydrophobicContact CG2-CD2 3.82Å
329	I	98.1	Very high	95.4	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.5	169	-56.9	-174.9	0	0	0	108.5	L284 I301 T309 V310 I327 T331 K335 F336 F338 F353	L284-I329 HydrophobicContact CD2-CD1 4.42Å; I301-I329 HydrophobicContact CD1-CD1 4.11Å; I301-I329 HydrophobicContact CD1-CG2 4.22Å; T309-I329 WeakPolarHBondContact O-CA 3.42Å; V310-I329 HydrophobicContact CG2-CG1 4.34Å; I327-I329 HydrophobicContact CG2-CG1 4.37Å; I329-T331 HydrophobicContact CG2-CG2 4.19Å; I329-K335 CarbonylContact O-C 3.56Å; I329-K335 WeakPolarHBondContact O-CA 3.41Å; I329-F336 HydrophobicContact CB-CB 4.29Å; I329-F336 PolarHBondContact N-O 3.48Å; I329-F336 PolarHBondContact O-N 3.4Å; I329-F338 HydrophobicContact CD1-CD2 4.21Å; I329-F338 HydrophobicContact CD1-CE2 3.55Å; I329-F338 HydrophobicContact CD1-CZ 4.49Å; I329-F338 HydrophobicContact CG1-CD2 4.45Å; I329-F338 HydrophobicContact CG1-CE2 4.09Å; I329-F353 HydrophobicContact CD1-CD1 3.69Å; I329-F353 HydrophobicContact CD1-CD2 3.93Å; I329-F353 HydrophobicContact CD1-CE1 3.48Å; I329-F353 VanDerWaalsContact CD1-CE1 3.48Å; I329-F353 HydrophobicContact CD1-CE2 3.73Å; I329-F353 HydrophobicContact CD1-CG 3.94Å; I329-F353 HydrophobicContact CD1-CZ 3.51Å; I329-F353 HydrophobicContact CG1-CD2 4.46Å; I329-F353 HydrophobicContact CG1-CE2 4.48Å
330	V	97.5	Very high	95.8	Very high	34 Å²	34	45.6 Å²	45.6	21%	0.206	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126	172.7	-171.8	0	0	0	0	108	Y308 T309 T328 K335	Y308-V330 WeakPolarHBondContact CA-O 3.22Å; T309-V330 PolarHBondContact N-O 3.28Å; T309-V330 PolarHBondContact O-N 3.22Å; T309-V330 WeakPolarHBondContact OG1-CB 3.33Å; T328-V330 HydrophobicContact CG2-CG2 4.26Å; V330-K335 HydrophobicContact CG1-CG 4.35Å; V330-K335 HydrophobicContact CG2-CG 4.24Å
331	T	95.5	Very high	96.2	Very high	10 Å²	10	48.5 Å²	48.5	6%	0.061	23%	0.234	C	C	.	.			trans	-114.7	167.6	167.7	79.6	0	0	0	0	108.8	Y308 I329 D333 R334 F336	Y308-T331 HydrophobicContact CD1-CG2 3.77Å; Y308-T331 HydrophobicContact CE1-CG2 3.5Å; Y308-T331 VanDerWaalsContact CE1-CG2 3.5Å; I329-T331 HydrophobicContact CG2-CG2 4.19Å; T331-D333 PolarHBondContact O-N 3.39Å; T331-D333 PolarHBondContact OG1-N 3.23Å; T331-R334 PolarHBondContact N-O 3.13Å; T331-R334 PolarHBondContact OG1-N 2.94Å; T331-R334 PolarHBondContact OG1-O 3.41Å; T331-F336 HydrophobicContact CG2-CD2 3.91Å; T331-F336 HydrophobicContact CG2-CE2 3.67Å
332	P	94.1	Very high	96.6	Very high	64 Å²	64	47 Å²	47	42%	0.416	23%	0.234	S	C	.	.	S	Bend	trans	-53.8	-38.2	175.5	-29	36.3	0	0	0	113.5	N306 Y308	N306-P332 WeakPolarHBondContact O-CG 3.45Å; Y308-P332 HydrophobicContact CE2-CG 3.96Å
333	D	89.7	Confident	96.7	Very high	113 Å²	113	44.8 Å²	44.8	60%	0.604	22%	0.224	S	C	*	.	S	Bend	trans	-89.3	-34.5	-173.3	-47.9	-50.2	0	0	0	113.6	T331	T331-D333 PolarHBondContact O-N 3.39Å; T331-D333 PolarHBondContact OG1-N 3.23Å
334	R	93.1	Very high	96.8	Very high	99 Å²	99	45.6 Å²	45.6	37%	0.374	24%	0.237	S	C	.	.			trans	-161.5	166.4	-178.2	70.2	177.9	-175.8	-158.9	-10.2	114.3	T331 F336	T331-R334 PolarHBondContact N-O 3.13Å; T331-R334 PolarHBondContact OG1-N 2.94Å; T331-R334 PolarHBondContact OG1-O 3.41Å; R334-F336 HydrophobicContact CG-CD2 4.05Å; R334-F336 HydrophobicContact CG-CE2 3.57Å; R334-F336 HydrophobicContact CG-CZ 4Å; R334-F336 VanDerWaalsContact CZ-CE1 3.47Å; R334-F336 VanDerWaalsContact CZ-CZ 3.48Å
335	K	95.8	Very high	97	Very high	107 Å²	107	42 Å²	42	47%	0.465	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138	167.4	-59.3	-179.8	-179.4	175.6	0	110.9	H268 I329 V330	H268-K335 PolarHBondContact NE2-O 3.43Å; I329-K335 CarbonylContact O-C 3.56Å; I329-K335 WeakPolarHBondContact O-CA 3.41Å; V330-K335 HydrophobicContact CG1-CG 4.35Å; V330-K335 HydrophobicContact CG2-CG 4.24Å
336	F	97.6	Very high	97	Very high	16 Å²	16	40.6 Å²	40.6	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.4	170.9	-65.4	-101.7	0	0	0	109.1	V299 T328 I329 T331 R334 F338	V299-F336 HydrophobicContact CB-CE1 4.27Å; V299-F336 HydrophobicContact CB-CZ 4.03Å; V299-F336 HydrophobicContact CG1-CD2 4.29Å; V299-F336 HydrophobicContact CG1-CE1 3.99Å; V299-F336 HydrophobicContact CG1-CE2 3.58Å; V299-F336 HydrophobicContact CG1-CZ 3.35Å; V299-F336 HydrophobicContact CG2-CD1 4.05Å; V299-F336 HydrophobicContact CG2-CE1 3.25Å; V299-F336 HydrophobicContact CG2-CE2 4.41Å; V299-F336 HydrophobicContact CG2-CZ 3.45Å; V299-F336 VanDerWaalsContact CG2-CZ 3.45Å; T328-F336 WeakPolarHBondContact CA-O 3.35Å; I329-F336 HydrophobicContact CB-CB 4.29Å; I329-F336 PolarHBondContact N-O 3.48Å; I329-F336 PolarHBondContact O-N 3.4Å; T331-F336 HydrophobicContact CG2-CD2 3.91Å; T331-F336 HydrophobicContact CG2-CE2 3.67Å; R334-F336 HydrophobicContact CG-CD2 4.05Å; R334-F336 HydrophobicContact CG-CE2 3.57Å; R334-F336 HydrophobicContact CG-CZ 4Å; R334-F336 VanDerWaalsContact CZ-CE1 3.47Å; R334-F336 VanDerWaalsContact CZ-CZ 3.48Å; F336-F338 HydrophobicContact CB-CE1 3.86Å; F336-F338 HydrophobicContact CB-CE2 4.28Å; F336-F338 HydrophobicContact CB-CZ 3.62Å; F336-F338 HydrophobicContact CD1-CE1 4.3Å; F336-F338 HydrophobicContact CD1-CZ 4.15Å; F336-F338 HydrophobicContact CG-CZ 4.22Å
337	L	98.2	Very high	97	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.3	179.7	-52.2	-175.9	0	0	0	108.9	T264 H268 F272 L314 P315 T318 T328	T264-L337 HydrophobicContact CG2-CB 3.85Å; T264-L337 HydrophobicContact CG2-CD1 4.19Å; T264-L337 HydrophobicContact CG2-CG 4.32Å; H268-L337 HydrophobicContact CB-CD1 3.91Å; F272-L337 HydrophobicContact CZ-CB 4.21Å; L314-L337 HydrophobicContact CD2-CB 3.84Å; L314-L337 HydrophobicContact CD2-CD2 4.29Å; P315-L337 HydrophobicContact CG-CD1 4.36Å; P315-L337 HydrophobicContact CG-CD2 3.99Å; T318-L337 HydrophobicContact CG2-CD1 3.91Å; T328-L337 HydrophobicContact CG2-CD2 3.82Å
338	F	98.3	Very high	97	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	157.6	177.2	-49.7	-39.3	0	0	0	110.6	M261 E262 K263 F277 L284 L314 G326 I327 I329 F336 F353	M261-F338 HydrophobicContact CB-CB 4.48Å; M261-F338 HydrophobicContact CE-CD2 4.24Å; M261-F338 HydrophobicContact SD-CB 4.12Å; M261-F338 HydrophobicContact SD-CD2 4.41Å; E262-F338 CarbonylContact O-C 3.5Å; E262-F338 WeakPolarHBondContact O-CA 3.48Å; K263-F338 HydrophobicContact CB-CD1 3.66Å; K263-F338 HydrophobicContact CB-CE1 3.98Å; F277-F338 HydrophobicContact CE1-CD1 4.29Å; F277-F338 AromaticContact CE1-CE1 3.87Å; F277-F338 HydrophobicContact CE1-CE1 3.87Å; F277-F338 HydrophobicContact CE1-CE2 4.3Å; F277-F338 AromaticContact CE1-CZ 3.87Å; F277-F338 HydrophobicContact CE1-CZ 3.87Å; F277-F338 AromaticContact CZ-CD1 3.93Å; F277-F338 HydrophobicContact CZ-CD1 3.93Å; F277-F338 AromaticContact CZ-CE1 3.85Å; F277-F338 HydrophobicContact CZ-CE1 3.85Å; F277-F338 HydrophobicContact CZ-CG 4.49Å; F277-F338 HydrophobicContact CZ-CZ 4.31Å; L284-F338 HydrophobicContact CD2-CE2 3.76Å; L284-F338 HydrophobicContact CD2-CZ 3.88Å; L314-F338 WeakPolarHBondContact CD2-O 3.19Å; G326-F338 CarbonylContact C-O 3.57Å; G326-F338 WeakPolarHBondContact CA-O 3.47Å; I327-F338 HydrophobicContact CB-CB 4.35Å; I327-F338 PolarHBondContact N-O 3.22Å; I327-F338 PolarHBondContact O-N 2.74Å; I329-F338 HydrophobicContact CD1-CD2 4.21Å; I329-F338 HydrophobicContact CD1-CE2 3.55Å; I329-F338 HydrophobicContact CD1-CZ 4.49Å; I329-F338 HydrophobicContact CG1-CD2 4.45Å; I329-F338 HydrophobicContact CG1-CE2 4.09Å; F336-F338 HydrophobicContact CB-CE1 3.86Å; F336-F338 HydrophobicContact CB-CE2 4.28Å; F336-F338 HydrophobicContact CB-CZ 3.62Å; F336-F338 HydrophobicContact CD1-CE1 4.3Å; F336-F338 HydrophobicContact CD1-CZ 4.15Å; F336-F338 HydrophobicContact CG-CZ 4.22Å; F338-F353 HydrophobicContact CE2-CZ 4.36Å
339	A	98.3	Very high	97	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.2	168.6	0	0	0	0	0	110.6	M261 E262 W323 H325	M261-A339 CarbonylContact C-O 3.49Å; M261-A339 WeakPolarHBondContact CA-O 3.25Å; M261-A339 WeakPolarHBondContact CB-O 3.39Å; E262-A339 HydrophobicContact CB-CB 4.33Å; E262-A339 PolarHBondContact N-O 2.97Å; E262-A339 PolarHBondContact O-N 3.16Å; W323-A339 HydrophobicContact CB-CB 3.84Å; W323-A339 VanDerWaalsContact O-CB 3.23Å; W323-A339 WeakPolarHBondContact O-CB 3.43Å; H325-A339 WeakPolarHBondContact O-CA 3.42Å
340	C	98.3	Very high	97	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	149.5	178.3	-60.7	0	0	0	0	110.8	W323 H325 T342 E345 Q346	W323-C340 WeakPolarHBondContact CB-O 3.24Å; H325-C340 HydrophobicContact CB-CB 4.18Å; H325-C340 WeakPolarHBondContact CB-O 3.33Å; H325-C340 PolarHBondContact N-O 3.01Å; H325-C340 PolarHBondContact O-N 3.34Å; C340-T342 VanDerWaalsContact C-N 3.33Å; C340-E345 HydrophobicContact CB-CB 4.17Å; C340-Q346 HydrophobicContact CB-CB 4.08Å
341	E	97.6	Very high	97.1	Very high	108 Å²	108	52.5 Å²	52.5	51%	0.505	27%	0.265	S	S	.	.	S	Bend	trans	-67.2	-36.7	-179.4	-171.9	162.3	-158.8	0	0	111.7	W323 H325	W323-E341 HydrophobicContact CD2-CB 3.81Å; W323-E341 HydrophobicContact CE3-CB 4.13Å; W323-E341 HydrophobicContact CG-CB 4.25Å; W323-E341 HydrophobicContact CH2-CB 4.1Å; W323-E341 HydrophobicContact CZ2-CB 3.81Å; W323-E341 HydrophobicContact CZ2-CG 4.18Å; W323-E341 WeakPolarHBondContact CZ2-OE2 3.33Å; W323-E341 HydrophobicContact CZ3-CB 4.26Å; H325-E341 PolarHBondContact CD2-O 3.15Å
342	T	98.1	Very high	97.2	Very high	60 Å²	60	52.3 Å²	52.3	37%	0.368	27%	0.265	S	S	.	.	S	Bend	trans	-126.2	154.7	-179	67.5	0	0	0	0	112.9	C340 A344 E345 Q346	C340-T342 VanDerWaalsContact C-N 3.33Å; T342-A344 VanDerWaalsContact C-N 3.28Å; T342-A344 PolarHBondContact O-N 3.45Å; T342-E345 PolarHBondContact N-OE2 3.03Å; T342-E345 PolarHBondContact O-N 3.49Å; T342-E345 WeakPolarHBondContact OG1-CB 3.27Å; T342-E345 VanDerWaalsContact OG1-CG 3.22Å; T342-E345 WeakPolarHBondContact OG1-CG 3.42Å; T342-E345 PolarHBondContact OG1-N 3.43Å; T342-E345 PolarHBondContact OG1-OE2 3.46Å; T342-Q346 PolarHBondContact O-N 3.21Å; T342-Q346 VanDerWaalsContact O-N 3.1Å
343	E	97.9	Very high	97.4	Very high	98 Å²	98	49.3 Å²	49.3	46%	0.458	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-38	173.1	-165.8	-162.3	139	0	0	111.6	H325 E345 Q346 R347	H325-E343 PolarHBondContact CD2-N 3.3Å; H325-E343 PolarHBondContact NE2-N 2.91Å; E343-E345 PolarHBondContact O-N 3.39Å; E343-Q346 WeakPolarHBondContact O-CB 3.21Å; E343-Q346 PolarHBondContact O-N 3.38Å; E343-R347 WeakPolarHBondContact O-CG 3.42Å; E343-R347 PolarHBondContact O-N 3.02Å; E343-R347 IonicContact OE1-CZ 3.66Å; E343-R347 IonicContact OE1-NH1 3.77Å; E343-R347 PolarHBondContact OE1-NH1 3.31Å
344	A	98	Very high	97.8	Very high	47 Å²	47	48.1 Å²	48.1	39%	0.388	24%	0.237	S	C	.	.	H	α-helix	trans	-59.5	-47.4	178	0	0	0	0	0	111.5	T342 Q346 R347 D348	T342-A344 VanDerWaalsContact C-N 3.28Å; T342-A344 PolarHBondContact O-N 3.45Å; A344-Q346 VanDerWaalsContact C-N 3.34Å; A344-Q346 PolarHBondContact O-N 3.44Å; A344-R347 PolarHBondContact O-N 3.18Å; A344-D348 PolarHBondContact O-N 3.2Å
345	E	97.9	Very high	98	Very high	53 Å²	53	51.8 Å²	51.8	25%	0.248	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-39.4	175.9	-72.3	171.3	134.4	0	0	112.5	C340 T342 E343 D348 W349	C340-E345 HydrophobicContact CB-CB 4.17Å; T342-E345 PolarHBondContact N-OE2 3.03Å; T342-E345 PolarHBondContact O-N 3.49Å; T342-E345 WeakPolarHBondContact OG1-CB 3.27Å; T342-E345 VanDerWaalsContact OG1-CG 3.22Å; T342-E345 WeakPolarHBondContact OG1-CG 3.42Å; T342-E345 PolarHBondContact OG1-N 3.43Å; T342-E345 PolarHBondContact OG1-OE2 3.46Å; E343-E345 PolarHBondContact O-N 3.39Å; E345-D348 PolarHBondContact O-N 3.15Å; E345-W349 WeakPolarHBondContact O-CB 3.27Å; E345-W349 PolarHBondContact O-N 2.99Å
346	Q	98.4	Very high	98	Very high	25 Å²	25	46.7 Å²	46.7	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-49.4	175.4	-174.6	-160.5	26.1	0	0	111.1	H325 G326 I327 C340 T342 E343 A344 D348 W349 I350	H325-Q346 HydrophobicContact CB-CB 3.79Å; H325-Q346 HydrophobicContact CB-CG 4.06Å; G326-Q346 PolarHBondContact O-NE2 3.04Å; I327-Q346 HydrophobicContact CD1-CG 4.17Å; I327-Q346 HydrophobicContact CG1-CG 3.81Å; C340-Q346 HydrophobicContact CB-CB 4.08Å; T342-Q346 PolarHBondContact O-N 3.21Å; T342-Q346 VanDerWaalsContact O-N 3.1Å; E343-Q346 WeakPolarHBondContact O-CB 3.21Å; E343-Q346 PolarHBondContact O-N 3.38Å; A344-Q346 VanDerWaalsContact C-N 3.34Å; A344-Q346 PolarHBondContact O-N 3.44Å; Q346-D348 VanDerWaalsContact C-N 3.34Å; Q346-D348 PolarHBondContact O-N 2.86Å; Q346-W349 PolarHBondContact O-N 3.26Å; Q346-I350 HydrophobicContact CG-CD1 3.96Å; Q346-I350 WeakPolarHBondContact O-CB 3.38Å; Q346-I350 WeakPolarHBondContact O-CG1 3.32Å; Q346-I350 PolarHBondContact O-N 2.63Å
347	R	98.3	Very high	98.1	Very high	146 Å²	146	46.3 Å²	46.3	55%	0.551	23%	0.227	S	C	*	.	H	α-helix	trans	-59.5	-45.2	177.9	-69.8	-172.8	-51.3	-145.9	11.9	111.4	E343 A344 W349 I350 A351	E343-R347 WeakPolarHBondContact O-CG 3.42Å; E343-R347 PolarHBondContact O-N 3.02Å; E343-R347 IonicContact OE1-CZ 3.66Å; E343-R347 IonicContact OE1-NH1 3.77Å; E343-R347 PolarHBondContact OE1-NH1 3.31Å; A344-R347 PolarHBondContact O-N 3.18Å; R347-W349 PolarHBondContact O-N 3.32Å; R347-I350 PolarHBondContact O-N 3.22Å; R347-A351 WeakPolarHBondContact O-CB 3.47Å; R347-A351 PolarHBondContact O-N 3.47Å
348	D	98.1	Very high	98	Very high	89 Å²	89	50.6 Å²	50.6	48%	0.476	25%	0.25	S	C	.	.	H	α-helix	trans	-63.1	-42.1	177.9	-72	-7.4	0	0	0	112.8	K257 A344 E345 Q346 A351 A352	K257-D348 HydrophobicContact CD-CB 3.86Å; K257-D348 IonicContact NZ-OD2 2.8Å; K257-D348 PolarHBondContact NZ-OD2 3.47Å; K257-D348 VanDerWaalsContact NZ-OD2 3.15Å; A344-D348 PolarHBondContact O-N 3.2Å; E345-D348 PolarHBondContact O-N 3.15Å; Q346-D348 VanDerWaalsContact C-N 3.34Å; Q346-D348 PolarHBondContact O-N 2.86Å; D348-A351 PolarHBondContact O-N 3.1Å; D348-A352 WeakPolarHBondContact O-CB 3.24Å; D348-A352 PolarHBondContact O-N 3.23Å
349	W	98.6	Very high	97.9	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-45.2	177.2	-85.5	116.9	0	0	0	111.4	K257 M261 F277 M279 L284 I327 E345 Q346 R347 A351 A352 F353	K257-W349 HydrophobicContact CB-CE3 4.13Å; K257-W349 HydrophobicContact CB-CH2 4.16Å; K257-W349 HydrophobicContact CB-CZ3 3.9Å; K257-W349 HydrophobicContact CD-CB 4.33Å; K257-W349 HydrophobicContact CD-CD2 3.54Å; K257-W349 HydrophobicContact CD-CE3 3.83Å; K257-W349 HydrophobicContact CD-CG 3.76Å; K257-W349 HydrophobicContact CD-CZ2 4.43Å; K257-W349 HydrophobicContact CD-CZ3 4.38Å; K257-W349 HydrophobicContact CG-CD2 4.01Å; K257-W349 HydrophobicContact CG-CE3 4.06Å; K257-W349 HydrophobicContact CG-CH2 4.07Å; K257-W349 HydrophobicContact CG-CZ2 4.03Å; K257-W349 HydrophobicContact CG-CZ3 4.09Å; M261-W349 HydrophobicContact CE-CD2 3.69Å; M261-W349 HydrophobicContact CE-CE3 3.91Å; M261-W349 HydrophobicContact CE-CG 4.26Å; M261-W349 HydrophobicContact CE-CH2 4.06Å; M261-W349 HydrophobicContact CE-CZ2 3.82Å; M261-W349 HydrophobicContact CE-CZ3 4.09Å; M261-W349 HydrophobicContact SD-CB 4.38Å; M261-W349 HydrophobicContact SD-CD2 3.8Å; M261-W349 HydrophobicContact SD-CG 3.71Å; F277-W349 HydrophobicContact CB-CH2 3.59Å; F277-W349 HydrophobicContact CB-CZ2 3.82Å; F277-W349 HydrophobicContact CB-CZ3 4.45Å; M279-W349 HydrophobicContact CB-CZ3 4.1Å; L284-W349 HydrophobicContact CD1-CZ3 4.2Å; I327-W349 HydrophobicContact CD1-CB 3.53Å; I327-W349 HydrophobicContact CD1-CG 4.38Å; E345-W349 WeakPolarHBondContact O-CB 3.27Å; E345-W349 PolarHBondContact O-N 2.99Å; Q346-W349 PolarHBondContact O-N 3.26Å; R347-W349 PolarHBondContact O-N 3.32Å; W349-A351 VanDerWaalsContact C-N 3.32Å; W349-A351 PolarHBondContact O-N 2.89Å; W349-A352 PolarHBondContact O-N 2.99Å; W349-F353 HydrophobicContact CB-CE2 4.17Å; W349-F353 HydrophobicContact CE3-CE2 4.01Å; W349-F353 AromaticContact CE3-CZ 3.86Å; W349-F353 HydrophobicContact CE3-CZ 3.86Å; W349-F353 HydrophobicContact CZ3-CZ 4.31Å; W349-F353 WeakPolarHBondContact O-CD2 3.38Å; W349-F353 WeakPolarHBondContact O-CG 3.37Å; W349-F353 PolarHBondContact O-N 2.89Å
350	I	98.5	Very high	97.8	Very high	21 Å²	21	58 Å²	58	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-45.3	174.7	-70.6	172.9	0	0	0	110.4	V310 A312 I327 Q346 R347 A352 F353 Q354	V310-I350 HydrophobicContact CG2-CG1 4.28Å; A312-I350 HydrophobicContact CB-CD1 3.67Å; I327-I350 HydrophobicContact CD1-CG1 4.07Å; I327-I350 HydrophobicContact CG1-CD1 4.34Å; I327-I350 HydrophobicContact CG1-CG1 4.07Å; I327-I350 HydrophobicContact CG2-CG1 4.23Å; Q346-I350 HydrophobicContact CG-CD1 3.96Å; Q346-I350 WeakPolarHBondContact O-CB 3.38Å; Q346-I350 WeakPolarHBondContact O-CG1 3.32Å; Q346-I350 PolarHBondContact O-N 2.63Å; R347-I350 PolarHBondContact O-N 3.22Å; I350-A352 VanDerWaalsContact C-N 3.32Å; I350-A352 PolarHBondContact O-N 2.99Å; I350-F353 PolarHBondContact O-N 3.19Å; I350-Q354 HydrophobicContact CG2-CG 4.09Å; I350-Q354 WeakPolarHBondContact O-CB 3.46Å; I350-Q354 VanDerWaalsContact O-CG 3.27Å; I350-Q354 WeakPolarHBondContact O-CG 3.48Å; I350-Q354 PolarHBondContact O-N 2.9Å
351	A	98.3	Very high	97.7	Very high	42 Å²	42	58.8 Å²	58.8	35%	0.347	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-40.5	177.4	0	0	0	0	0	112.1	R347 D348 W349 R355	R347-A351 WeakPolarHBondContact O-CB 3.47Å; R347-A351 PolarHBondContact O-N 3.47Å; D348-A351 PolarHBondContact O-N 3.1Å; W349-A351 VanDerWaalsContact C-N 3.32Å; W349-A351 PolarHBondContact O-N 2.89Å; A351-R355 WeakPolarHBondContact O-CB 3.37Å; A351-R355 PolarHBondContact O-N 3.35Å
352	A	98.1	Very high	97.4	Very high	7 Å²	7	58.5 Å²	58.5	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-46	175	0	0	0	0	0	111.9	M256 K257 M279 D348 W349 I350 R355 V356	M256-A352 HydrophobicContact CE-CB 4.31Å; M256-A352 VanDerWaalsContact CE-O 3.31Å; M256-A352 WeakPolarHBondContact CE-O 3.43Å; K257-A352 HydrophobicContact CB-CB 4.08Å; K257-A352 HydrophobicContact CD-CB 4.42Å; M279-A352 HydrophobicContact SD-CB 3.8Å; D348-A352 WeakPolarHBondContact O-CB 3.24Å; D348-A352 PolarHBondContact O-N 3.23Å; W349-A352 PolarHBondContact O-N 2.99Å; I350-A352 VanDerWaalsContact C-N 3.32Å; I350-A352 PolarHBondContact O-N 2.99Å; A352-R355 PolarHBondContact O-N 3.05Å; A352-V356 PolarHBondContact O-N 3.27Å
353	F	98.5	Very high	96.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-46.1	175.8	-68	-51.8	0	0	0	112.3	M261 M279 L284 V310 I327 I329 F338 W349 I350 R355 V356 I357	M261-F353 HydrophobicContact CE-CZ 4.49Å; M279-F353 HydrophobicContact CE-CD1 3.69Å; M279-F353 HydrophobicContact CE-CE1 4.15Å; M279-F353 HydrophobicContact SD-CD1 3.92Å; M279-F353 HydrophobicContact SD-CE1 3.96Å; L284-F353 HydrophobicContact CD1-CE1 4.03Å; L284-F353 HydrophobicContact CD1-CZ 4.14Å; L284-F353 HydrophobicContact CD2-CE1 3.9Å; L284-F353 HydrophobicContact CD2-CZ 3.97Å; L284-F353 HydrophobicContact CG-CE1 4.46Å; V310-F353 HydrophobicContact CB-CB 4Å; V310-F353 HydrophobicContact CG1-CB 3.95Å; V310-F353 HydrophobicContact CG2-CB 3.94Å; V310-F353 HydrophobicContact CG2-CD2 4.02Å; V310-F353 HydrophobicContact CG2-CG 4.3Å; I327-F353 HydrophobicContact CG2-CD2 4.36Å; I327-F353 HydrophobicContact CG2-CE2 4.37Å; I329-F353 HydrophobicContact CD1-CD1 3.69Å; I329-F353 HydrophobicContact CD1-CD2 3.93Å; I329-F353 HydrophobicContact CD1-CE1 3.48Å; I329-F353 VanDerWaalsContact CD1-CE1 3.48Å; I329-F353 HydrophobicContact CD1-CE2 3.73Å; I329-F353 HydrophobicContact CD1-CG 3.94Å; I329-F353 HydrophobicContact CD1-CZ 3.51Å; I329-F353 HydrophobicContact CG1-CD2 4.46Å; I329-F353 HydrophobicContact CG1-CE2 4.48Å; F338-F353 HydrophobicContact CE2-CZ 4.36Å; W349-F353 HydrophobicContact CB-CE2 4.17Å; W349-F353 HydrophobicContact CE3-CE2 4.01Å; W349-F353 AromaticContact CE3-CZ 3.86Å; W349-F353 HydrophobicContact CE3-CZ 3.86Å; W349-F353 HydrophobicContact CZ3-CZ 4.31Å; W349-F353 WeakPolarHBondContact O-CD2 3.38Å; W349-F353 WeakPolarHBondContact O-CG 3.37Å; W349-F353 PolarHBondContact O-N 2.89Å; I350-F353 PolarHBondContact O-N 3.19Å; F353-R355 VanDerWaalsContact C-N 3.32Å; F353-R355 PolarHBondContact O-N 2.81Å; F353-V356 PolarHBondContact O-N 3.35Å; F353-V356 VanDerWaalsContact O-N 3.13Å; F353-I357 HydrophobicContact CB-CD1 4.36Å; F353-I357 WeakPolarHBondContact O-CB 3.37Å; F353-I357 WeakPolarHBondContact O-CG1 3.4Å; F353-I357 PolarHBondContact O-N 3.46Å
354	Q	98.1	Very high	96.4	Very high	89 Å²	89	61 Å²	61	42%	0.416	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-41.5	178.5	-75.4	175.5	-18.1	0	0	111.8	V310 I350 V356 I357 N358	V310-Q354 HydrophobicContact CG1-CG 3.55Å; I350-Q354 HydrophobicContact CG2-CG 4.09Å; I350-Q354 WeakPolarHBondContact O-CB 3.46Å; I350-Q354 VanDerWaalsContact O-CG 3.27Å; I350-Q354 WeakPolarHBondContact O-CG 3.48Å; I350-Q354 PolarHBondContact O-N 2.9Å; Q354-V356 PolarHBondContact O-N 2.91Å; Q354-I357 PolarHBondContact O-N 2.88Å; Q354-N358 WeakPolarHBondContact O-CB 3.14Å; Q354-N358 VanDerWaalsContact O-CG 3.23Å; Q354-N358 PolarHBondContact O-N 3.48Å; Q354-N358 PolarHBondContact O-ND2 2.81Å
355	R	97.1	Very high	96.1	Very high	175 Å²	175	59.3 Å²	59.3	66%	0.66	29%	0.289	S	S	*	.	H	α-helix	trans	-57.8	-37.5	176.8	-173.1	179.7	-64.5	154.4	1	112.2	M256 A351 A352 F353	M256-R355 HydrophobicContact CE-CB 4.19Å; M256-R355 HydrophobicContact CE-CG 4.39Å; A351-R355 WeakPolarHBondContact O-CB 3.37Å; A351-R355 PolarHBondContact O-N 3.35Å; A352-R355 PolarHBondContact O-N 3.05Å; F353-R355 VanDerWaalsContact C-N 3.32Å; F353-R355 PolarHBondContact O-N 2.81Å
356	V	96.6	Very high	95.9	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-80.9	-42.1	178.6	176.3	0	0	0	0	112.7	M256 M279 R282 I301 A352 F353 Q354 N358 R359	M256-V356 HydrophobicContact CE-CG2 3.45Å; M256-V356 VanDerWaalsContact CE-CG2 3.45Å; M256-V356 HydrophobicContact SD-CG2 3.43Å; M256-V356 WeakPolarHBondContact SD-CG2 3.4Å; M279-V356 HydrophobicContact CE-CB 3.78Å; M279-V356 HydrophobicContact CE-CG1 4.36Å; M279-V356 HydrophobicContact CE-CG2 3.34Å; R282-V356 HydrophobicContact CB-CG1 4.43Å; R282-V356 HydrophobicContact CG-CG1 3.74Å; R282-V356 VanDerWaalsContact NH1-CG1 3.33Å; R282-V356 PolarHBondContact NH1-O 3.2Å; I301-V356 HydrophobicContact CB-CG1 4.26Å; I301-V356 HydrophobicContact CG2-CB 4.49Å; I301-V356 HydrophobicContact CG2-CG1 4.06Å; I301-V356 WeakPolarHBondContact O-CG1 3.41Å; A352-V356 PolarHBondContact O-N 3.27Å; F353-V356 PolarHBondContact O-N 3.35Å; F353-V356 VanDerWaalsContact O-N 3.13Å; Q354-V356 PolarHBondContact O-N 2.91Å; V356-N358 VanDerWaalsContact C-N 3.32Å; V356-N358 PolarHBondContact O-N 3.4Å; V356-R359 PolarHBondContact O-N 2.85Å
357	I	98.1	Very high	95.4	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-35.9	-179.2	-72	169.8	0	0	0	111.3	I301 S303 K304 Y308 V310 F353 Q354 R359	I301-I357 HydrophobicContact CG2-CD1 4.18Å; I301-I357 HydrophobicContact CG2-CG1 3.72Å; S303-I357 CarbonylContact C-O 3.54Å; S303-I357 VanDerWaalsContact CA-O 3.24Å; S303-I357 WeakPolarHBondContact CA-O 3.17Å; S303-I357 WeakPolarHBondContact CB-O 3.34Å; K304-I357 HydrophobicContact CB-CG2 3.9Å; K304-I357 PolarHBondContact N-O 2.89Å; Y308-I357 VanDerWaalsContact O-CG2 3.27Å; Y308-I357 WeakPolarHBondContact O-CG2 3.27Å; V310-I357 HydrophobicContact CB-CD1 3.88Å; V310-I357 HydrophobicContact CG1-CD1 3.86Å; F353-I357 HydrophobicContact CB-CD1 4.36Å; F353-I357 WeakPolarHBondContact O-CB 3.37Å; F353-I357 WeakPolarHBondContact O-CG1 3.4Å; F353-I357 PolarHBondContact O-N 3.46Å; Q354-I357 PolarHBondContact O-N 2.88Å; I357-R359 VanDerWaalsContact C-N 3.29Å; I357-R359 PolarHBondContact O-N 3.01Å
358	N	97.6	Very high	95	Very high	92 Å²	92	58.9 Å²	58.9	49%	0.492	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.1	179.1	-68.7	-28.4	0	0	0	113.6	Q354 V356	Q354-N358 WeakPolarHBondContact O-CB 3.14Å; Q354-N358 VanDerWaalsContact O-CG 3.23Å; Q354-N358 PolarHBondContact O-N 3.48Å; Q354-N358 PolarHBondContact O-ND2 2.81Å; V356-N358 VanDerWaalsContact C-N 3.32Å; V356-N358 PolarHBondContact O-N 3.4Å
359	R	95.9	Very high	94.6	Very high	70 Å²	70	55.2 Å²	55.2	26%	0.264	28%	0.282	S	S	.	.	S	Bend	trans	-84.6	127	175.2	-171.1	-179.6	80.5	-160.9	6.1	109.1	D281 R282 S303 V356 I357 E365	D281-R359 VanDerWaalsContact CG-NH2 3.28Å; D281-R359 IonicContact OD1-CZ 3.04Å; D281-R359 IonicContact OD1-NH1 3.04Å; D281-R359 PolarHBondContact OD1-NH1 2.85Å; D281-R359 IonicContact OD1-NH2 2.63Å; D281-R359 PolarHBondContact OD1-NH2 2.78Å; D281-R359 IonicContact OD2-NH2 3.9Å; D281-R359 PolarHBondContact OD2-NH2 2.86Å; R282-R359 PolarHBondContact NH2-O 2.97Å; S303-R359 VanDerWaalsContact CB-O 3.27Å; S303-R359 WeakPolarHBondContact CB-O 3.45Å; V356-R359 PolarHBondContact O-N 2.85Å; I357-R359 VanDerWaalsContact C-N 3.29Å; I357-R359 PolarHBondContact O-N 3.01Å; R359-E365 IonicContact CZ-OE1 3.76Å; R359-E365 IonicContact NH2-OE1 2.86Å; R359-E365 PolarHBondContact NH2-OE1 3.1Å
360	P	96.1	Very high	94.1	Very high	87 Å²	87	56.9 Å²	56.9	57%	0.565	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-55.9	148.4	171.3	-26.2	35.2	0	0	0	112.2	R282	R282-P360 PolarHBondContact NH2-O 3.1Å
361	M	95.6	Very high	93.5	Very high	16 Å²	16	61 Å²	61	8%	0.079	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-74.8	138	175.6	-76.3	-179.4	55.7	0	0	111.5	F300 N306 E365 Y366 E369	F300-M361 HydrophobicContact CE1-CE 3.77Å; F300-M361 HydrophobicContact CE1-SD 3.95Å; F300-M361 HydrophobicContact CZ-CE 3.69Å; F300-M361 HydrophobicContact CZ-SD 4.26Å; N306-M361 HydrophobicContact CB-SD 4.41Å; M361-E365 VanDerWaalsContact CA-OE2 3.22Å; M361-E365 WeakPolarHBondContact CA-OE2 3.38Å; M361-E365 HydrophobicContact CB-CB 4.48Å; M361-E365 HydrophobicContact CE-CB 4.01Å; M361-E365 WeakPolarHBondContact CE-O 3.41Å; M361-Y366 HydrophobicContact CB-CD2 4.4Å; M361-Y366 HydrophobicContact CB-CE1 4.18Å; M361-Y366 HydrophobicContact CB-CE2 3.78Å; M361-Y366 HydrophobicContact CE-CD1 3.72Å; M361-Y366 HydrophobicContact CE-CE1 3.98Å; M361-Y366 HydrophobicContact CE-CG 4.01Å; M361-Y366 HydrophobicContact SD-CE1 4.3Å; M361-E369 HydrophobicContact CE-CB 4Å
362	R	90.8	Very high	92.8	Very high	103 Å²	103	60.5 Å²	60.5	39%	0.389	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-80.6	154.8	172.8	-62.1	173.7	178.3	165.7	-0.8	109.9	Q364 E365 Y366	R362-Q364 VanDerWaalsContact C-N 3.29Å; R362-Q364 HydrophobicContact CB-CG 4.3Å; R362-Q364 PolarHBondContact O-N 3.22Å; R362-Q364 VanDerWaalsContact O-N 3.16Å; R362-E365 HydrophobicContact CB-CG 4.01Å; R362-E365 PolarHBondContact N-OE2 3.45Å; R362-E365 WeakPolarHBondContact O-CA 3.43Å; R362-E365 WeakPolarHBondContact O-CB 3.23Å; R362-E365 PolarHBondContact O-N 2.86Å; R362-Y366 WeakPolarHBondContact O-CD2 3.37Å
363	P	89.4	Confident	91.8	Very high	116 Å²	116	64.5 Å²	64.5	75%	0.753	32%	0.321	S	S	*	.	H	α-helix	trans	-48.4	-47	179.3	-31.1	36.5	0	0	0	114.2	E365 Y366	P363-E365 VanDerWaalsContact C-N 3.27Å; P363-E365 PolarHBondContact O-N 3.45Å; P363-Y366 PolarHBondContact O-N 3.38Å
364	Q	86.4	Confident	90.3	Very high	94 Å²	94	71.8 Å²	71.8	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-26	177.8	66.7	-169.2	23.1	0	0	114.2	F239 R362 Y366 A367 V368	F239-Q364 VanDerWaalsContact CZ-OE1 3.28Å; R362-Q364 VanDerWaalsContact C-N 3.29Å; R362-Q364 HydrophobicContact CB-CG 4.3Å; R362-Q364 PolarHBondContact O-N 3.22Å; R362-Q364 VanDerWaalsContact O-N 3.16Å; Q364-Y366 VanDerWaalsContact C-N 3.33Å; Q364-A367 PolarHBondContact O-N 3.32Å; Q364-V368 PolarHBondContact O-N 2.91Å
365	E	92.2	Very high	88.6	Confident	11 Å²	11	71.7 Å²	71.7	5%	0.051	35%	0.353	C	S	.	.	H	α-helix	trans	-74.5	-24.7	-178.7	-64.1	173.3	159	0	0	111.8	R282 F300 R359 M361 R362 P363 V368 E369	R282-E365 IonicContact CZ-OE2 3.06Å; R282-E365 IonicContact NE-OE1 3.15Å; R282-E365 PolarHBondContact NE-OE1 2.87Å; R282-E365 IonicContact NE-OE2 2.73Å; R282-E365 PolarHBondContact NE-OE2 3.37Å; R282-E365 IonicContact NH2-OE2 2.83Å; R282-E365 PolarHBondContact NH2-OE2 3.43Å; F300-E365 HydrophobicContact CZ-CB 4.42Å; R359-E365 IonicContact CZ-OE1 3.76Å; R359-E365 IonicContact NH2-OE1 2.86Å; R359-E365 PolarHBondContact NH2-OE1 3.1Å; M361-E365 VanDerWaalsContact CA-OE2 3.22Å; M361-E365 WeakPolarHBondContact CA-OE2 3.38Å; M361-E365 HydrophobicContact CB-CB 4.48Å; M361-E365 HydrophobicContact CE-CB 4.01Å; M361-E365 WeakPolarHBondContact CE-O 3.41Å; R362-E365 HydrophobicContact CB-CG 4.01Å; R362-E365 PolarHBondContact N-OE2 3.45Å; R362-E365 WeakPolarHBondContact O-CA 3.43Å; R362-E365 WeakPolarHBondContact O-CB 3.23Å; R362-E365 PolarHBondContact O-N 2.86Å; P363-E365 VanDerWaalsContact C-N 3.27Å; P363-E365 PolarHBondContact O-N 3.45Å; E365-V368 PolarHBondContact O-N 2.86Å; E365-E369 PolarHBondContact O-N 3.01Å
366	Y	92.4	Very high	86	Confident	104 Å²	104	72.7 Å²	72.7	41%	0.408	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-40	173.6	-70.1	-78.2	0	0	0	112.2	M361 R362 P363 Q364 V368 E369 A370	M361-Y366 HydrophobicContact CB-CD2 4.4Å; M361-Y366 HydrophobicContact CB-CE1 4.18Å; M361-Y366 HydrophobicContact CB-CE2 3.78Å; M361-Y366 HydrophobicContact CE-CD1 3.72Å; M361-Y366 HydrophobicContact CE-CE1 3.98Å; M361-Y366 HydrophobicContact CE-CG 4.01Å; M361-Y366 HydrophobicContact SD-CE1 4.3Å; R362-Y366 WeakPolarHBondContact O-CD2 3.37Å; P363-Y366 PolarHBondContact O-N 3.38Å; Q364-Y366 VanDerWaalsContact C-N 3.33Å; Y366-V368 VanDerWaalsContact C-N 3.31Å; Y366-V368 PolarHBondContact O-N 3.35Å; Y366-E369 PolarHBondContact O-N 2.88Å; Y366-A370 PolarHBondContact O-N 2.9Å
367	A	88.8	Confident	85.4	Confident	56 Å²	56	76.3 Å²	76.3	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-40.5	173.8	0	0	0	0	0	111.2	Q364 A370 H371	Q364-A367 PolarHBondContact O-N 3.32Å; A367-A370 PolarHBondContact O-N 2.79Å; A367-H371 PolarHBondContact O-CD2 2.7Å; A367-H371 PolarHBondContact O-N 2.71Å
368	V	88.9	Confident	84.8	Confident	55 Å²	55	79.9 Å²	79.9	33%	0.333	42%	0.42	S	S	.	.	H	α-helix	trans	-62.7	-47.6	174.9	179.3	0	0	0	0	111	F300 Q364 E365 Y366 A370 H371 F372	F300-V368 HydrophobicContact CD2-CG1 4.01Å; F300-V368 HydrophobicContact CE2-CB 4.27Å; F300-V368 HydrophobicContact CE2-CG1 3.92Å; Q364-V368 PolarHBondContact O-N 2.91Å; E365-V368 PolarHBondContact O-N 2.86Å; Y366-V368 VanDerWaalsContact C-N 3.31Å; Y366-V368 PolarHBondContact O-N 3.35Å; V368-A370 VanDerWaalsContact C-N 3.33Å; V368-A370 PolarHBondContact O-N 3.4Å; V368-H371 WeakPolarHBondContact O-CB 3.38Å; V368-H371 PolarHBondContact O-N 3.48Å; V368-H371 VanDerWaalsContact O-N 3.15Å; V368-F372 HydrophobicContact CG1-CD2 4.26Å; V368-F372 HydrophobicContact CG1-CE2 4.03Å; V368-F372 WeakPolarHBondContact O-CD2 3.45Å; V368-F372 PolarHBondContact O-N 3.13Å
369	E	91.7	Very high	84.1	Confident	12 Å²	12	79.3 Å²	79.3	6%	0.056	42%	0.416	C	S	.	.	H	α-helix	trans	-56.8	-46	177.3	-172.5	-162.7	-158.3	0	0	111.6	F300 Y308 M361 E365 Y366 H371 F372 K373	F300-E369 HydrophobicContact CD1-CB 3.84Å; F300-E369 HydrophobicContact CD1-CG 3.61Å; F300-E369 HydrophobicContact CE1-CB 3.58Å; F300-E369 HydrophobicContact CE1-CG 3.67Å; F300-E369 HydrophobicContact CE2-CB 4.39Å; F300-E369 HydrophobicContact CG-CB 4.34Å; F300-E369 HydrophobicContact CG-CG 4.35Å; F300-E369 HydrophobicContact CZ-CB 3.88Å; F300-E369 HydrophobicContact CZ-CG 4.46Å; Y308-E369 WeakPolarHBondContact CE2-OE1 3.47Å; Y308-E369 PolarHBondContact OH-OE1 3.35Å; M361-E369 HydrophobicContact CE-CB 4Å; E365-E369 PolarHBondContact O-N 3.01Å; Y366-E369 PolarHBondContact O-N 2.88Å; E369-H371 PolarHBondContact O-N 3.4Å; E369-F372 WeakPolarHBondContact O-CB 3.47Å; E369-F372 PolarHBondContact O-N 3.18Å; E369-K373 PolarHBondContact O-N 2.96Å; E369-K373 VanDerWaalsContact O-N 3.14Å; E369-K373 WeakPolarHBondContact OE1-CE 3.26Å; E369-K373 IonicContact OE1-NZ 3.31Å; E369-K373 PolarHBondContact OE1-NZ 3.45Å; E369-K373 IonicContact OE2-NZ 3.63Å; E369-K373 PolarHBondContact OE2-NZ 3.06Å
370	A	87.9	Confident	83.4	Confident	37 Å²	37	79.8 Å²	79.8	31%	0.306	43%	0.425	S	S	.	.	H	α-helix	trans	-56.4	-40.1	178.3	0	0	0	0	0	111.5	Y366 A367 V368 F372 K373 H374	Y366-A370 PolarHBondContact O-N 2.9Å; A367-A370 PolarHBondContact O-N 2.79Å; V368-A370 VanDerWaalsContact C-N 3.33Å; V368-A370 PolarHBondContact O-N 3.4Å; A370-F372 VanDerWaalsContact C-N 3.28Å; A370-F372 PolarHBondContact O-N 2.91Å; A370-K373 PolarHBondContact O-N 2.86Å; A370-H374 PolarHBondContact O-N 2.8Å; A370-H374 VanDerWaalsContact O-N 3.17Å; A370-H374 PolarHBondContact O-ND1 2.6Å
371	H	84.9	Confident	82.6	Confident	107 Å²	107	79.4 Å²	79.4	50%	0.495	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-27.9	176	-68.6	-48.4	0	0	0	114.4	N205 A367 V368 E369	N205-H371 WeakPolarHBondContact ND2-CB 3.2Å; A367-H371 PolarHBondContact O-CD2 2.7Å; A367-H371 PolarHBondContact O-N 2.71Å; V368-H371 WeakPolarHBondContact O-CB 3.38Å; V368-H371 PolarHBondContact O-N 3.48Å; V368-H371 VanDerWaalsContact O-N 3.15Å; E369-H371 PolarHBondContact O-N 3.4Å
372	F	84	Confident	81.7	Confident	32 Å²	32	83.6 Å²	83.6	14%	0.14	44%	0.439	C	S	.	.	H	α-helix	trans	-75.6	-33.3	174	-84.9	-96.1	0	0	0	112.5	R283 E298 F300 V368 E369 A370	R283-F372 HydrophobicContact CG-CZ 4.02Å; R283-F372 VanDerWaalsContact CZ-CZ 3.42Å; E298-F372 HydrophobicContact CB-CE1 3.66Å; E298-F372 HydrophobicContact CB-CZ 4.21Å; F300-F372 HydrophobicContact CB-CB 3.98Å; F300-F372 HydrophobicContact CB-CD1 4.07Å; F300-F372 HydrophobicContact CB-CD2 3.85Å; F300-F372 HydrophobicContact CB-CE2 4.32Å; F300-F372 HydrophobicContact CB-CG 3.7Å; F300-F372 HydrophobicContact CD2-CD2 4.22Å; F300-F372 HydrophobicContact CD2-CE2 4.36Å; F300-F372 HydrophobicContact CG-CD2 4.41Å; V368-F372 HydrophobicContact CG1-CD2 4.26Å; V368-F372 HydrophobicContact CG1-CE2 4.03Å; V368-F372 WeakPolarHBondContact O-CD2 3.45Å; V368-F372 PolarHBondContact O-N 3.13Å; E369-F372 WeakPolarHBondContact O-CB 3.47Å; E369-F372 PolarHBondContact O-N 3.18Å; A370-F372 VanDerWaalsContact C-N 3.28Å; A370-F372 PolarHBondContact O-N 2.91Å
373	K	77.3	Confident	81.1	Confident	91 Å²	91	82.2 Å²	82.2	40%	0.396	44%	0.443	S	S	.	.	H	α-helix	trans	-68.7	-34.6	176.9	-70.3	175.7	178.6	164	0	112.7	E369 A370	E369-K373 PolarHBondContact O-N 2.96Å; E369-K373 VanDerWaalsContact O-N 3.14Å; E369-K373 WeakPolarHBondContact OE1-CE 3.26Å; E369-K373 IonicContact OE1-NZ 3.31Å; E369-K373 PolarHBondContact OE1-NZ 3.45Å; E369-K373 IonicContact OE2-NZ 3.63Å; E369-K373 PolarHBondContact OE2-NZ 3.06Å; A370-K373 PolarHBondContact O-N 2.86Å
374	H	67.3	Low	80.4	Confident	152 Å²	152	79.6 Å²	79.6	70%	0.704	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	12.7	-176.2	-59.1	87.8	0	0	0	114	A370 P376	A370-H374 PolarHBondContact O-N 2.8Å; A370-H374 VanDerWaalsContact O-N 3.17Å; A370-H374 PolarHBondContact O-ND1 2.6Å; H374-P376 WeakPolarHBondContact O-CD 3.44Å
375	K	60.8	Low	79.9	Confident	88 Å²	88	78.4 Å²	78.4	38%	0.383	42%	0.417	S	S	.	.			trans	-74.7	117.5	175.4	-144.8	170.7	-175.7	170.7	0	107.5	N205	N205-K375 PolarHBondContact O-NZ 2.92Å
376	P	43	Very low	78.8	Confident	196 Å²	196	84.5 Å²	84.5	100%	1.273	45%	0.451	S	S	*	.			trans	-63.3	0	-174.9	24.2	-32.4	0	0	0	113.5	H374	H374-P376 WeakPolarHBondContact O-CD 3.44Å

Retrieved 376 of 376 residues in 598 ms (Link to these results)

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