A0A096N1M7_PAPAN Loading...

Histone-lysine N-methyltransferase

AlphaFold DB (Q5RB81), UniProt , Accession A0A096N1M7, Species PAPAN (Papio anubis, Olive baboon), Gene SUV39H1, Length 412 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	37.5	Very low	45.1	Very low	240 Å²	240	138.1 Å²	138.1	100%	1.182	80%	0.796	S	S	*	*				0	90.5	0	-72.7	-154.8	-76.5	0	0	108.9
2	A	35.8	Very low	46.4	Very low	52 Å²	52	133.4 Å²	133.4	43%	0.43	78%	0.776	S	S	.	*			trans	-172.7	26.3	163.2	0	0	0	0	0	112.6	N4	A2-N4 VanDerWaalsContact C-N 3.28Å; A2-N4 PolarHBondContact O-N 3.24Å
3	E	43	Very low	48.5	Very low	193 Å²	193	140.2 Å²	140.2	90%	0.902	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-3.2	-173.1	-76.8	-179.3	166.6	0	0	114.8
4	N	48.9	Very low	50.7	Low	162 Å²	162	133.2 Å²	133.2	87%	0.866	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	19.5	-175.2	-76.6	-33.3	0	0	0	116.3	A2	A2-N4 VanDerWaalsContact C-N 3.28Å; A2-N4 PolarHBondContact O-N 3.24Å
5	L	46.1	Very low	52.8	Low	137 Å²	137	128.3 Å²	128.3	72%	0.717	73%	0.732	S	S	*	*			trans	-100.4	92.3	168.9	-75	169.1	0	0	0	110.2	G7	L5-G7 PolarHBondContact O-N 3.2Å; L5-G7 VanDerWaalsContact O-N 3.11Å
6	K	45.1	Very low	54.8	Low	219 Å²	219	129.6 Å²	129.6	95%	0.952	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	107.2	161.8	-80.3	-178.3	174.6	179	0	108.2
7	G	49.8	Very low	56.5	Low	83 Å²	83	125.5 Å²	125.5	86%	0.856	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	128.8	-7.7	160.6	0	0	0	0	0	118.4	L5	L5-G7 PolarHBondContact O-N 3.2Å; L5-G7 VanDerWaalsContact O-N 3.11Å
8	C	42.6	Very low	58	Low	101 Å²	101	123.9 Å²	123.9	68%	0.682	69%	0.685	S	S	*	*			trans	-165.9	118.7	170.5	-160.6	0	0	0	0	111
9	S	48.3	Very low	59.6	Low	99 Å²	99	120.1 Å²	120.1	69%	0.692	66%	0.663	S	S	*	*			trans	-132.8	114	169.7	74.1	0	0	0	0	111.1
10	V	45.3	Very low	61	Low	141 Å²	141	115.8 Å²	115.8	86%	0.855	64%	0.637	S	S	*	*			trans	-116.7	102.9	160.6	-168	0	0	0	0	105.3
11	C	53.7	Low	62.2	Low	92 Å²	92	111.4 Å²	111.4	62%	0.622	61%	0.613	S	S	*	*			trans	-134.6	97.6	-175.1	-109.9	0	0	0	0	110.7
12	C	61.1	Low	64.6	Low	82 Å²	82	104.8 Å²	104.8	55%	0.554	58%	0.582	S	S	*	*			trans	59.5	121.9	169.4	-152.7	0	0	0	0	116.6	S14	C12-S14 PolarHBondContact O-N 3.04Å; C12-S14 WeakPolarHBondContact SG-CB 3.48Å; C12-S14 PolarHBondContact SG-N 3.07Å
13	K	72.9	Confident	67.1	Low	221 Å²	221	103 Å²	103	96%	0.961	57%	0.567	S	S	*	*	S	Bend	trans	-66.8	-11.3	167.4	-73.2	-171.4	176.2	-177.6	0	112.7
14	S	79.5	Confident	69.3	Low	43 Å²	43	95.4 Å²	95.4	30%	0.301	53%	0.53	S	S	.	.	S	Bend	trans	-90.5	128.3	-177	-53.1	0	0	0	0	111.1	C12 Q18	C12-S14 PolarHBondContact O-N 3.04Å; C12-S14 WeakPolarHBondContact SG-CB 3.48Å; C12-S14 PolarHBondContact SG-N 3.07Å; S14-Q18 VanDerWaalsContact CA-OE1 3.26Å
15	S	82.8	Confident	71.1	Confident	59 Å²	59	92.8 Å²	92.8	41%	0.413	52%	0.515	S	S	.	.			trans	-60	159.6	167.1	65	0	0	0	0	111.6	N17 Q18 L19	S15-N17 PolarHBondContact O-N 3.3Å; S15-Q18 WeakPolarHBondContact O-CB 3.46Å; S15-Q18 PolarHBondContact O-N 3.08Å; S15-Q18 WeakPolarHBondContact OG-CG 3.44Å; S15-Q18 PolarHBondContact OG-N 2.83Å; S15-Q18 PolarHBondContact OG-OE1 2.82Å; S15-L19 PolarHBondContact O-N 2.96Å; S15-L19 VanDerWaalsContact O-N 3.12Å
16	W	84.4	Confident	73.2	Confident	150 Å²	150	89.1 Å²	89.1	57%	0.568	50%	0.504	S	S	*	.	H	α-helix	trans	-51.5	-40.8	176.7	-168.2	-85.2	0	0	0	112.9	L19 Q20 A32 L33	W16-L19 PolarHBondContact O-N 3.24Å; W16-Q20 WeakPolarHBondContact O-CG 3.49Å; W16-Q20 PolarHBondContact O-N 2.97Å; W16-A32 WeakPolarHBondContact CH2-O 3.43Å; W16-A32 WeakPolarHBondContact CZ2-O 3.15Å; W16-L33 HydrophobicContact CD2-CD2 3.91Å; W16-L33 HydrophobicContact CE3-CD2 4.16Å; W16-L33 HydrophobicContact CH2-CD2 4.15Å; W16-L33 HydrophobicContact CZ2-CD2 3.89Å; W16-L33 HydrophobicContact CZ3-CD2 4.27Å
17	N	83.3	Confident	75.3	Confident	59 Å²	59	85.4 Å²	85.4	32%	0.316	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-43.5	177.9	-63.5	-25.4	0	0	0	111.7	S15 L19 Q20 D21 R65	S15-N17 PolarHBondContact O-N 3.3Å; N17-L19 VanDerWaalsContact C-N 3.28Å; N17-L19 PolarHBondContact O-N 2.99Å; N17-Q20 WeakPolarHBondContact O-CB 3.34Å; N17-Q20 PolarHBondContact O-N 2.75Å; N17-Q20 VanDerWaalsContact O-N 3.17Å; N17-D21 PolarHBondContact O-N 2.87Å; N17-R65 PolarHBondContact ND2-NH1 3.39Å; N17-R65 VanDerWaalsContact ND2-NH1 3.15Å
18	Q	84.7	Confident	77.3	Confident	97 Å²	97	86.4 Å²	86.4	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-38.4	177.1	-75.6	167.1	-47.1	0	0	111.7	S14 S15 D21 L22	S14-Q18 VanDerWaalsContact CA-OE1 3.26Å; S15-Q18 WeakPolarHBondContact O-CB 3.46Å; S15-Q18 PolarHBondContact O-N 3.08Å; S15-Q18 WeakPolarHBondContact OG-CG 3.44Å; S15-Q18 PolarHBondContact OG-N 2.83Å; S15-Q18 PolarHBondContact OG-OE1 2.82Å; Q18-D21 PolarHBondContact O-N 3Å; Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 3.13Å
19	L	87.5	Confident	79.6	Confident	52 Å²	52	84.6 Å²	84.6	27%	0.272	46%	0.462	S	S	.	.	H	α-helix	trans	-68	-40	176	-66.1	176.8	0	0	0	112.4	S15 W16 N17 D21 L22 C23 L33	S15-L19 PolarHBondContact O-N 2.96Å; S15-L19 VanDerWaalsContact O-N 3.12Å; W16-L19 PolarHBondContact O-N 3.24Å; N17-L19 VanDerWaalsContact C-N 3.28Å; N17-L19 PolarHBondContact O-N 2.99Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.05Å; L19-C23 PolarHBondContact O-N 3.19Å; L19-C23 VanDerWaalsContact O-N 3.12Å; L19-C23 PolarHBondContact O-SG 2.94Å; L19-L33 HydrophobicContact CB-CD1 3.72Å; L19-L33 HydrophobicContact CB-CD2 4.03Å; L19-L33 HydrophobicContact CD1-CD2 4.33Å
20	Q	88.6	Confident	81.6	Confident	33 Å²	33	81.5 Å²	81.5	15%	0.154	44%	0.44	C	S	.	.	H	α-helix	trans	-60.9	-43.9	173.6	-75.9	178.8	-25.2	0	0	111.3	W16 N17 C23 R24 L33 I35	W16-Q20 WeakPolarHBondContact O-CG 3.49Å; W16-Q20 PolarHBondContact O-N 2.97Å; N17-Q20 WeakPolarHBondContact O-CB 3.34Å; N17-Q20 PolarHBondContact O-N 2.75Å; N17-Q20 VanDerWaalsContact O-N 3.17Å; Q20-C23 WeakPolarHBondContact O-CB 3.39Å; Q20-C23 PolarHBondContact O-N 2.77Å; Q20-C23 VanDerWaalsContact O-N 3.14Å; Q20-R24 WeakPolarHBondContact O-CG 3.32Å; Q20-R24 PolarHBondContact O-N 3.47Å; Q20-L33 HydrophobicContact CG-CB 3.96Å; Q20-L33 PolarHBondContact NE2-O 2.9Å; Q20-I35 HydrophobicContact CB-CD1 3.95Å; Q20-I35 HydrophobicContact CB-CG1 4.16Å; Q20-I35 HydrophobicContact CG-CD1 3.94Å; Q20-I35 HydrophobicContact CG-CG1 4.03Å
21	D	85.3	Confident	83.7	Confident	24 Å²	24	80.2 Å²	80.2	13%	0.128	43%	0.434	C	S	.	.	H	α-helix	trans	-64.1	-41.6	179.4	-67.7	-22.2	0	0	0	112	N17 Q18 L19 C23 R24 L25 Y67	N17-D21 PolarHBondContact O-N 2.87Å; Q18-D21 PolarHBondContact O-N 3Å; L19-D21 VanDerWaalsContact C-N 3.33Å; D21-C23 VanDerWaalsContact C-N 3.3Å; D21-C23 PolarHBondContact O-N 3.38Å; D21-R24 PolarHBondContact O-N 3.07Å; D21-R24 IonicContact OD1-CZ 2.78Å; D21-R24 IonicContact OD1-NH1 3.93Å; D21-R24 PolarHBondContact OD1-NH1 3.28Å; D21-L25 WeakPolarHBondContact O-CG 3.5Å; D21-L25 PolarHBondContact O-N 3.17Å; D21-Y67 WeakPolarHBondContact CB-OH 3.33Å
22	L	87.2	Confident	85.4	Confident	101 Å²	101	79.7 Å²	79.7	53%	0.529	44%	0.437	S	S	.	.	H	α-helix	trans	-58.6	-41.2	171.6	-72.6	172.6	0	0	0	112	Q18 L19 L25 A26	Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 3.13Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.05Å; L22-L25 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.96Å
23	C	89	Confident	86.7	Confident	16 Å²	16	76.7 Å²	76.7	11%	0.108	42%	0.415	C	S	.	.	H	α-helix	trans	-63.3	-42.5	175.5	-66.6	0	0	0	0	111.9	L19 Q20 D21 A26 K27 L28 I35	L19-C23 PolarHBondContact O-N 3.19Å; L19-C23 VanDerWaalsContact O-N 3.12Å; L19-C23 PolarHBondContact O-SG 2.94Å; Q20-C23 WeakPolarHBondContact O-CB 3.39Å; Q20-C23 PolarHBondContact O-N 2.77Å; Q20-C23 VanDerWaalsContact O-N 3.14Å; D21-C23 VanDerWaalsContact C-N 3.3Å; D21-C23 PolarHBondContact O-N 3.38Å; C23-A26 CarbonylContact O-C 3.54Å; C23-A26 PolarHBondContact O-N 3.29Å; C23-K27 CarbonylContact O-C 3.55Å; C23-K27 WeakPolarHBondContact O-CA 3.44Å; C23-K27 PolarHBondContact O-N 3Å; C23-L28 PolarHBondContact O-N 3.39Å; C23-I35 HydrophobicContact CB-CB 4.36Å; C23-I35 HydrophobicContact CB-CG1 4.19Å; C23-I35 HydrophobicContact CB-CG2 4.17Å
24	R	88.7	Confident	87.5	Confident	32 Å²	32	68.4 Å²	68.4	12%	0.121	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-47.4	177	-65.4	178.8	-177.2	102.9	3.3	111.7	Q20 D21 A26 K27 I35 L40 D42 F43	Q20-R24 WeakPolarHBondContact O-CG 3.32Å; Q20-R24 PolarHBondContact O-N 3.47Å; D21-R24 PolarHBondContact O-N 3.07Å; D21-R24 IonicContact OD1-CZ 2.78Å; D21-R24 IonicContact OD1-NH1 3.93Å; D21-R24 PolarHBondContact OD1-NH1 3.28Å; R24-A26 VanDerWaalsContact C-N 3.35Å; R24-A26 PolarHBondContact O-N 2.98Å; R24-K27 PolarHBondContact O-N 3.22Å; R24-I35 HydrophobicContact CG-CD1 4.49Å; R24-L40 WeakPolarHBondContact CB-O 3.44Å; R24-L40 WeakPolarHBondContact CG-O 3.38Å; R24-D42 WeakPolarHBondContact CD-O 3.35Å; R24-D42 PolarHBondContact NE-O 3.12Å; R24-D42 PolarHBondContact NH2-O 3.34Å; R24-F43 HydrophobicContact CB-CE1 3.86Å; R24-F43 HydrophobicContact CB-CZ 3.81Å; R24-F43 HydrophobicContact CG-CE1 4.46Å
25	L	86.8	Confident	87.9	Confident	107 Å²	107	66.4 Å²	66.4	56%	0.56	38%	0.378	S	S	*	.	H	α-helix	trans	-61.9	-42	178.2	-70	173.7	0	0	0	111.9	D21 L22 K27 Y67	D21-L25 WeakPolarHBondContact O-CG 3.5Å; D21-L25 PolarHBondContact O-N 3.17Å; L22-L25 PolarHBondContact O-N 3.46Å; L25-K27 PolarHBondContact O-N 3.47Å; L25-Y67 HydrophobicContact CD1-CE1 4.42Å
26	A	90.9	Very high	88.3	Confident	60 Å²	60	65.6 Å²	65.6	50%	0.496	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.5	176.3	0	0	0	0	0	113.8	L22 C23 R24 L28	L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.96Å; C23-A26 CarbonylContact O-C 3.54Å; C23-A26 PolarHBondContact O-N 3.29Å; R24-A26 VanDerWaalsContact C-N 3.35Å; R24-A26 PolarHBondContact O-N 2.98Å; A26-L28 HydrophobicContact CB-CD1 3.76Å; A26-L28 HydrophobicContact CB-CG 3.77Å; A26-L28 PolarHBondContact O-N 3.14Å
27	K	90.1	Very high	88.5	Confident	141 Å²	141	67.1 Å²	67.1	61%	0.613	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.9	-175.3	-58.8	177.4	-176	173.6	0	113.4	C23 R24 L25 L40	C23-K27 CarbonylContact O-C 3.55Å; C23-K27 WeakPolarHBondContact O-CA 3.44Å; C23-K27 PolarHBondContact O-N 3Å; R24-K27 PolarHBondContact O-N 3.22Å; L25-K27 PolarHBondContact O-N 3.47Å; K27-L40 HydrophobicContact CB-CD2 4.05Å
28	L	91.1	Very high	88.8	Confident	104 Å²	104	75.7 Å²	75.7	55%	0.545	41%	0.411	S	S	.	.			trans	-96.8	134.5	-179.7	-62.2	176.1	0	0	0	111.1	C23 A26 I35 L40	C23-L28 PolarHBondContact O-N 3.39Å; A26-L28 HydrophobicContact CB-CD1 3.76Å; A26-L28 HydrophobicContact CB-CG 3.77Å; A26-L28 PolarHBondContact O-N 3.14Å; L28-I35 WeakPolarHBondContact O-CG2 3.22Å; L28-L40 WeakPolarHBondContact O-CD1 3.46Å
29	S	90.2	Very high	89	Confident	64 Å²	64	73.1 Å²	73.1	45%	0.448	40%	0.4	S	S	.	.			trans	-81.1	127	166.9	-166.9	0	0	0	0	108.7	I35 S36	S29-I35 CarbonylContact C-O 3.58Å; S29-I35 PolarHBondContact OG-O 2.92Å; S29-I35 VanDerWaalsContact OG-O 3.08Å; S29-S36 WeakPolarHBondContact OG-CA 3.37Å
30	C	90.2	Very high	89	Confident	33 Å²	33	71.2 Å²	71.2	22%	0.223	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-132.8	91.9	175.2	-174.8	0	0	0	0	109.3	A32 L33 G34 I35	C30-A32 PolarHBondContact O-N 2.93Å; C30-L33 HydrophobicContact CB-CB 4.17Å; C30-L33 HydrophobicContact CB-CD1 4.18Å; C30-L33 HydrophobicContact CB-CG 4.42Å; C30-L33 CarbonylContact O-C 3.38Å; C30-L33 PolarHBondContact O-N 3.48Å; C30-G34 PolarHBondContact O-N 3.01Å; C30-I35 CarbonylContact C-O 3.2Å; C30-I35 HydrophobicContact CB-CB 4.44Å; C30-I35 PolarHBondContact N-O 3.32Å; C30-I35 PolarHBondContact O-N 2.97Å
31	P	89.2	Confident	88.9	Confident	114 Å²	114	77.4 Å²	77.4	74%	0.74	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-55.9	-34.5	179.5	-27.1	35.5	0	0	0	113.3	L33 G34	P31-L33 PolarHBondContact O-N 3.12Å; P31-G34 PolarHBondContact O-N 3.26Å
32	A	89.2	Confident	89.1	Confident	81 Å²	81	79.6 Å²	79.6	67%	0.669	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-62.7	-28.4	176.8	0	0	0	0	0	113.2	W16 C30	W16-A32 WeakPolarHBondContact CH2-O 3.43Å; W16-A32 WeakPolarHBondContact CZ2-O 3.15Å; C30-A32 PolarHBondContact O-N 2.93Å
33	L	88.3	Confident	89.2	Confident	20 Å²	20	78.1 Å²	78.1	11%	0.105	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-96.9	4.6	174.1	-66.4	172.4	0	0	0	112.4	W16 L19 Q20 C30 P31 I35	W16-L33 HydrophobicContact CD2-CD2 3.91Å; W16-L33 HydrophobicContact CE3-CD2 4.16Å; W16-L33 HydrophobicContact CH2-CD2 4.15Å; W16-L33 HydrophobicContact CZ2-CD2 3.89Å; W16-L33 HydrophobicContact CZ3-CD2 4.27Å; L19-L33 HydrophobicContact CB-CD1 3.72Å; L19-L33 HydrophobicContact CB-CD2 4.03Å; L19-L33 HydrophobicContact CD1-CD2 4.33Å; Q20-L33 HydrophobicContact CG-CB 3.96Å; Q20-L33 PolarHBondContact NE2-O 2.9Å; C30-L33 HydrophobicContact CB-CB 4.17Å; C30-L33 HydrophobicContact CB-CD1 4.18Å; C30-L33 HydrophobicContact CB-CG 4.42Å; C30-L33 CarbonylContact O-C 3.38Å; C30-L33 PolarHBondContact O-N 3.48Å; P31-L33 PolarHBondContact O-N 3.12Å; L33-I35 HydrophobicContact CB-CG1 4.25Å; L33-I35 PolarHBondContact O-N 2.78Å
34	G	90.2	Very high	89.3	Confident	46 Å²	46	82.4 Å²	82.4	47%	0.474	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	15.1	-174	0	0	0	0	0	114.5	C30 P31 N39	C30-G34 PolarHBondContact O-N 3.01Å; P31-G34 PolarHBondContact O-N 3.26Å; G34-N39 PolarHBondContact O-ND2 2.77Å
35	I	88.6	Confident	89.6	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.01	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-91.9	123.2	177.3	-56	-55.1	0	0	0	110	Q20 C23 R24 L28 S29 C30 L33 L40	Q20-I35 HydrophobicContact CB-CD1 3.95Å; Q20-I35 HydrophobicContact CB-CG1 4.16Å; Q20-I35 HydrophobicContact CG-CD1 3.94Å; Q20-I35 HydrophobicContact CG-CG1 4.03Å; C23-I35 HydrophobicContact CB-CB 4.36Å; C23-I35 HydrophobicContact CB-CG1 4.19Å; C23-I35 HydrophobicContact CB-CG2 4.17Å; R24-I35 HydrophobicContact CG-CD1 4.49Å; L28-I35 WeakPolarHBondContact O-CG2 3.22Å; S29-I35 CarbonylContact C-O 3.58Å; S29-I35 PolarHBondContact OG-O 2.92Å; S29-I35 VanDerWaalsContact OG-O 3.08Å; C30-I35 CarbonylContact C-O 3.2Å; C30-I35 HydrophobicContact CB-CB 4.44Å; C30-I35 PolarHBondContact N-O 3.32Å; C30-I35 PolarHBondContact O-N 2.97Å; L33-I35 HydrophobicContact CB-CG1 4.25Å; L33-I35 PolarHBondContact O-N 2.78Å; I35-L40 HydrophobicContact CG2-CD1 3.77Å
36	S	91.1	Very high	90	Very high	41 Å²	41	78.3 Å²	78.3	29%	0.287	41%	0.414	S	S	.	.			trans	-129	167.2	-179.8	73.3	0	0	0	0	109.9	S29 R38 N39 L40	S29-S36 WeakPolarHBondContact OG-CA 3.37Å; S36-R38 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact OG-N 2.9Å; S36-N39 PolarHBondContact N-OD1 3.5Å; S36-N39 PolarHBondContact O-N 2.86Å; S36-N39 PolarHBondContact O-OD1 2.98Å; S36-N39 PolarHBondContact OG-OD1 3.15Å; S36-N39 VanDerWaalsContact OG-OD1 3.07Å; S36-L40 WeakPolarHBondContact O-CB 3.24Å; S36-L40 PolarHBondContact O-N 2.77Å
37	K	88.7	Confident	90.3	Very high	182 Å²	182	76 Å²	76	79%	0.791	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.6	171.1	-66.3	-174.8	178.1	-178.5	0	113.6
38	R	88.7	Confident	90.7	Very high	240 Å²	240	69.3 Å²	69.3	91%	0.906	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-29.2	-177.7	-64.3	-177.4	179.8	175.6	0.6	113.9	S36	S36-R38 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact OG-N 2.9Å
39	N	89.3	Confident	90.9	Very high	42 Å²	42	65 Å²	65	23%	0.225	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	12.9	-177.2	66.4	-7.4	0	0	0	112.5	G34 S36 Y41 D42	G34-N39 PolarHBondContact O-ND2 2.77Å; S36-N39 PolarHBondContact N-OD1 3.5Å; S36-N39 PolarHBondContact O-N 2.86Å; S36-N39 PolarHBondContact O-OD1 2.98Å; S36-N39 PolarHBondContact OG-OD1 3.15Å; S36-N39 VanDerWaalsContact OG-OD1 3.07Å; N39-Y41 PolarHBondContact O-N 3.05Å; N39-Y41 VanDerWaalsContact O-N 3.13Å; N39-D42 WeakPolarHBondContact CA-OD2 3.44Å; N39-D42 HydrophobicContact CB-CB 4.18Å; N39-D42 WeakPolarHBondContact CB-OD2 3.42Å; N39-D42 WeakPolarHBondContact O-CB 3.47Å; N39-D42 PolarHBondContact O-N 3.33Å
40	L	87.3	Confident	91.3	Very high	13 Å²	13	63.6 Å²	63.6	7%	0.068	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.6	-179.2	-167.4	65.9	0	0	0	112.8	R24 K27 L28 I35 S36	R24-L40 WeakPolarHBondContact CB-O 3.44Å; R24-L40 WeakPolarHBondContact CG-O 3.38Å; K27-L40 HydrophobicContact CB-CD2 4.05Å; L28-L40 WeakPolarHBondContact O-CD1 3.46Å; I35-L40 HydrophobicContact CG2-CD1 3.77Å; S36-L40 WeakPolarHBondContact O-CB 3.24Å; S36-L40 PolarHBondContact O-N 2.77Å
41	Y	86	Confident	91.7	Very high	163 Å²	163	62.4 Å²	62.4	64%	0.639	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	6.3	179.3	-54.4	-72.9	0	0	0	113.1	N39 F43	N39-Y41 PolarHBondContact O-N 3.05Å; N39-Y41 VanDerWaalsContact O-N 3.13Å; Y41-F43 WeakPolarHBondContact O-CD2 3.47Å; Y41-F43 PolarHBondContact O-N 3.17Å
42	D	89.3	Confident	92	Very high	70 Å²	70	59.2 Å²	59.2	37%	0.374	29%	0.294	S	S	.	.			trans	-85.5	110.1	175.4	-72.7	-28.8	0	0	0	108.9	R24 N39 K81	R24-D42 WeakPolarHBondContact CD-O 3.35Å; R24-D42 PolarHBondContact NE-O 3.12Å; R24-D42 PolarHBondContact NH2-O 3.34Å; N39-D42 WeakPolarHBondContact CA-OD2 3.44Å; N39-D42 HydrophobicContact CB-CB 4.18Å; N39-D42 WeakPolarHBondContact CB-OD2 3.42Å; N39-D42 WeakPolarHBondContact O-CB 3.47Å; N39-D42 PolarHBondContact O-N 3.33Å; D42-K81 IonicContact OD1-NZ 3.24Å; D42-K81 PolarHBondContact OD1-NZ 3.27Å; D42-K81 IonicContact OD2-NZ 3.96Å
43	F	89.7	Confident	92.4	Very high	70 Å²	70	58.2 Å²	58.2	31%	0.307	28%	0.275	S	S	.	.			trans	-107.1	151.7	174.2	-64.9	-93.1	0	0	0	111	R24 Y41 W64 Y67	R24-F43 HydrophobicContact CB-CE1 3.86Å; R24-F43 HydrophobicContact CB-CZ 3.81Å; R24-F43 HydrophobicContact CG-CE1 4.46Å; Y41-F43 WeakPolarHBondContact O-CD2 3.47Å; Y41-F43 PolarHBondContact O-N 3.17Å; F43-W64 HydrophobicContact CB-CD2 4.42Å; F43-W64 HydrophobicContact CB-CE3 3.58Å; F43-W64 HydrophobicContact CB-CH2 4.47Å; F43-W64 HydrophobicContact CB-CZ3 3.61Å; F43-Y67 HydrophobicContact CD1-CE2 4.33Å
44	E	91.6	Very high	92.7	Very high	105 Å²	105	61.2 Å²	61.2	49%	0.491	29%	0.29	S	S	.	.			trans	-86.3	126.2	-178.7	-165	-177	160.2	0	0	111.2	R65	E44-R65 HydrophobicContact CB-CB 4.07Å; E44-R65 HydrophobicContact CG-CB 4.4Å; E44-R65 WeakPolarHBondContact O-CB 3.47Å; E44-R65 PolarHBondContact O-N 3.47Å; E44-R65 VanDerWaalsContact OE1-CD 3.29Å; E44-R65 WeakPolarHBondContact OE1-CD 3.34Å; E44-R65 IonicContact OE1-CZ 3.06Å; E44-R65 IonicContact OE1-NE 3.67Å; E44-R65 PolarHBondContact OE1-NE 3.03Å; E44-R65 WeakPolarHBondContact OE2-CD 3.35Å; E44-R65 IonicContact OE2-NE 2.81Å; E44-R65 IonicContact OE2-NH1 3.39Å
45	V	95.1	Very high	92.8	Very high	16 Å²	16	69.3 Å²	69.3	10%	0.097	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.7	172.9	176.6	0	0	0	0	109.5	L48 V62 W64 L80 C82 I85	V45-L48 HydrophobicContact CG1-CD2 3.98Å; V45-V62 HydrophobicContact CB-CG1 4.21Å; V45-V62 HydrophobicContact CG1-CG1 3.93Å; V45-V62 HydrophobicContact CG2-CG1 3.71Å; V45-W64 HydrophobicContact CG2-CZ3 4.16Å; V45-L80 HydrophobicContact CG2-CD2 4.19Å; V45-C82 HydrophobicContact CB-CB 4.49Å; V45-I85 HydrophobicContact CB-CD1 4.06Å; V45-I85 HydrophobicContact CG1-CD1 3.89Å; V45-I85 HydrophobicContact CG1-CG2 4.27Å; V45-I85 WeakPolarHBondContact O-CD1 3.19Å
46	E	95.3	Very high	92.9	Very high	38 Å²	38	76.3 Å²	76.3	18%	0.178	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-48.1	174.2	-162	171.1	173.9	0	0	111.2	K63 R65 R126	E46-K63 WeakPolarHBondContact CA-O 3.24Å; E46-K63 HydrophobicContact CB-CB 4.42Å; E46-K63 HydrophobicContact CB-CG 3.97Å; E46-K63 VanDerWaalsContact CB-O 3.23Å; E46-K63 WeakPolarHBondContact CB-O 3.26Å; E46-K63 PolarHBondContact N-O 2.96Å; E46-K63 IonicContact OE2-NZ 2.77Å; E46-K63 PolarHBondContact OE2-NZ 2.85Å; E46-R65 HydrophobicContact CB-CB 4.09Å; E46-R65 WeakPolarHBondContact OE2-CA 3.49Å; E46-R126 VanDerWaalsContact CD-NH1 3.32Å; E46-R126 IonicContact OE1-CZ 3.99Å; E46-R126 IonicContact OE1-NH1 3.61Å; E46-R126 PolarHBondContact OE1-NH1 2.97Å; E46-R126 IonicContact OE1-NH2 3.9Å; E46-R126 PolarHBondContact OE1-NH2 3.17Å
47	Y	96.9	Very high	93.1	Very high	10 Å²	10	77.6 Å²	77.6	4%	0.039	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	170.6	169.2	52.3	-94.6	0	0	0	110.5	C49 K63 V119 A122 K123	Y47-C49 VanDerWaalsContact CE2-SG 3.52Å; Y47-K63 HydrophobicContact CD1-CB 4.31Å; Y47-K63 HydrophobicContact CD1-CG 4.26Å; Y47-K63 HydrophobicContact CD2-CB 3.82Å; Y47-K63 HydrophobicContact CD2-CG 4.47Å; Y47-K63 HydrophobicContact CE1-CB 4.12Å; Y47-K63 HydrophobicContact CE1-CG 3.73Å; Y47-K63 HydrophobicContact CE2-CB 3.59Å; Y47-K63 HydrophobicContact CE2-CG 3.96Å; Y47-K63 HydrophobicContact CG-CB 4.16Å; Y47-K63 PolarHBondContact O-N 3.43Å; Y47-V119 HydrophobicContact CE2-CG1 4.06Å; Y47-A122 HydrophobicContact CD1-CB 4.45Å; Y47-A122 HydrophobicContact CD2-CB 4.01Å; Y47-A122 HydrophobicContact CG-CB 3.77Å; Y47-K123 HydrophobicContact CE1-CG 4.21Å; Y47-K123 WeakPolarHBondContact OH-CE 3.22Å
48	L	97.8	Very high	93.5	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.5	174.9	-57.9	174.8	0	0	0	108.9	V45 Y60 V62 L80 I85 L86 F89	V45-L48 HydrophobicContact CG1-CD2 3.98Å; L48-Y60 HydrophobicContact CD1-CD1 3.78Å; L48-Y60 HydrophobicContact CD1-CE1 4.31Å; L48-Y60 HydrophobicContact CD1-CG 4.32Å; L48-V62 HydrophobicContact CD2-CG2 4Å; L48-L80 HydrophobicContact CD2-CD1 4.18Å; L48-I85 HydrophobicContact CD1-CG2 4.14Å; L48-I85 HydrophobicContact CG-CG2 3.87Å; L48-L86 HydrophobicContact CD1-CD2 3.65Å; L48-L86 HydrophobicContact CD1-CG 4.16Å; L48-F89 HydrophobicContact CB-CB 4.47Å; L48-F89 HydrophobicContact CB-CD2 3.54Å; L48-F89 HydrophobicContact CB-CE2 3.9Å; L48-F89 HydrophobicContact CB-CG 4.09Å; L48-F89 HydrophobicContact CD1-CB 4Å; L48-F89 HydrophobicContact CD1-CD2 4.43Å; L48-F89 HydrophobicContact CD1-CG 4.11Å
49	C	97.1	Very high	93.9	Very high	14 Å²	14	63.2 Å²	63.2	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-37	-174.4	-58	0	0	0	0	112.7	Y47 L61 V119	Y47-C49 VanDerWaalsContact CE2-SG 3.52Å; C49-L61 HydrophobicContact CB-CB 4.13Å; C49-L61 HydrophobicContact CB-CD2 3.97Å; C49-L61 HydrophobicContact CB-CG 4.02Å; C49-L61 PolarHBondContact N-O 3.06Å; C49-V119 HydrophobicContact CB-CG2 3.76Å
50	D	97.5	Very high	94.4	Very high	34 Å²	34	61.2 Å²	61.2	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166.1	-169.6	-160.1	-1.4	0	0	0	111.1	Y60 L61 W74 L110 A115	D50-Y60 VanDerWaalsContact O-CA 3.28Å; D50-Y60 WeakPolarHBondContact O-CA 3.16Å; D50-L61 HydrophobicContact CB-CB 3.66Å; D50-L61 HydrophobicContact CB-CD2 4.15Å; D50-L61 PolarHBondContact O-N 2.9Å; D50-W74 HydrophobicContact CB-CH2 3.66Å; D50-W74 HydrophobicContact CB-CZ2 4.09Å; D50-W74 HydrophobicContact CB-CZ3 4.41Å; D50-W74 WeakPolarHBondContact OD2-CH2 3.45Å; D50-L110 WeakPolarHBondContact OD1-CB 3.41Å; D50-L110 WeakPolarHBondContact OD1-CD1 3.32Å; D50-A115 HydrophobicContact CB-CB 4.47Å
51	Y	98	Very high	94.9	Very high	7 Å²	7	62.4 Å²	62.4	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.2	-177.5	171.5	-92.7	0	0	0	111.8	K53 E58 Y60 F89 T106 P107 L110	Y51-K53 HydrophobicContact CE1-CB 4.31Å; Y51-E58 HydrophobicContact CE2-CB 4Å; Y51-E58 HydrophobicContact CE2-CG 4.06Å; Y51-E58 VanDerWaalsContact CE2-OE1 3.24Å; Y51-E58 WeakPolarHBondContact CE2-OE1 3.42Å; Y51-E58 PolarHBondContact OH-OE1 2.92Å; Y51-Y60 AromaticContact CD2-CD1 3.97Å; Y51-Y60 HydrophobicContact CD2-CD1 3.97Å; Y51-Y60 AromaticContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE2 4.35Å; Y51-Y60 AromaticContact CD2-CZ 3.72Å; Y51-Y60 HydrophobicContact CE2-CE1 4.12Å; Y51-Y60 HydrophobicContact CE2-CE2 4.45Å; Y51-Y60 AromaticContact CE2-CZ 3.86Å; Y51-F89 HydrophobicContact CG-CE1 4.48Å; Y51-T106 HydrophobicContact CD1-CG2 4.02Å; Y51-T106 HydrophobicContact CE1-CG2 3.49Å; Y51-T106 VanDerWaalsContact CE1-CG2 3.49Å; Y51-P107 WeakPolarHBondContact CE1-O 3.48Å; Y51-L110 HydrophobicContact CD1-CD2 4.33Å; Y51-L110 PolarHBondContact O-N 2.92Å
52	K	97	Very high	95.4	Very high	48 Å²	48	54.7 Å²	54.7	21%	0.209	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.8	166.1	68.3	-170.1	177.9	-169.3	0	112.1	I54 Y59 W74 R108 H109	K52-I54 HydrophobicContact CD-CD1 4.39Å; K52-Y59 PolarHBondContact N-O 2.95Å; K52-Y59 PolarHBondContact O-N 2.76Å; K52-W74 HydrophobicContact CB-CH2 4.23Å; K52-W74 HydrophobicContact CB-CZ3 4.17Å; K52-W74 HydrophobicContact CD-CD2 4.24Å; K52-W74 HydrophobicContact CD-CE3 4Å; K52-W74 HydrophobicContact CD-CH2 3.87Å; K52-W74 HydrophobicContact CD-CZ2 4.13Å; K52-W74 HydrophobicContact CD-CZ3 3.82Å; K52-W74 HydrophobicContact CG-CE3 4Å; K52-W74 HydrophobicContact CG-CH2 3.95Å; K52-W74 HydrophobicContact CG-CZ3 3.57Å; K52-R108 CarbonylContact C-O 3.54Å; K52-R108 VanDerWaalsContact CA-O 3.23Å; K52-R108 WeakPolarHBondContact CA-O 3.41Å; K52-H109 WeakPolarHBondContact CB-ND1 3.47Å
53	K	96.6	Very high	95.8	Very high	59 Å²	59	51.8 Å²	51.8	26%	0.257	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.7	173.9	-169.6	176.2	178.7	-177.3	0	110.1	Y51 R55 E56 Q57 E58 R108	Y51-K53 HydrophobicContact CE1-CB 4.31Å; K53-R55 VanDerWaalsContact CE-O 3.22Å; K53-R55 WeakPolarHBondContact CE-O 3.28Å; K53-E56 WeakPolarHBondContact CE-OE2 3.5Å; K53-E56 IonicContact NZ-OE2 2.74Å; K53-E56 PolarHBondContact NZ-OE2 3.07Å; K53-Q57 WeakPolarHBondContact CA-O 3.37Å; K53-E58 HydrophobicContact CG-CG 4.38Å; K53-R108 PolarHBondContact N-O 3.28Å
54	I	94.8	Very high	96.1	Very high	83 Å²	83	50.2 Å²	50.2	43%	0.426	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.3	176.1	-56.2	175.1	0	0	0	107.6	K52 E56 Q57 Y59	K52-I54 HydrophobicContact CD-CD1 4.39Å; I54-E56 PolarHBondContact O-N 2.66Å; I54-Q57 PolarHBondContact N-O 3.41Å; I54-Q57 PolarHBondContact O-N 2.83Å; I54-Y59 HydrophobicContact CB-CE2 4.22Å; I54-Y59 HydrophobicContact CD1-CD2 4.37Å; I54-Y59 HydrophobicContact CD1-CE2 4.22Å; I54-Y59 HydrophobicContact CG1-CD2 4.45Å; I54-Y59 HydrophobicContact CG1-CE2 4.41Å
55	R	91.9	Very high	96.1	Very high	217 Å²	217	50 Å²	50	82%	0.819	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	-120.8	-167.7	-57.2	177.8	176.5	178.9	-1.6	109.9	K53	K53-R55 VanDerWaalsContact CE-O 3.22Å; K53-R55 WeakPolarHBondContact CE-O 3.28Å
56	E	91.6	Very high	95.8	Very high	149 Å²	149	52.7 Å²	52.7	70%	0.696	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	0.5	175.8	-64.4	-50.4	134	0	0	114	K53 I54	K53-E56 WeakPolarHBondContact CE-OE2 3.5Å; K53-E56 IonicContact NZ-OE2 2.74Å; K53-E56 PolarHBondContact NZ-OE2 3.07Å; I54-E56 PolarHBondContact O-N 2.66Å
57	Q	94.8	Very high	95.6	Very high	67 Å²	67	52.4 Å²	52.4	31%	0.313	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.7	-178.1	-168.7	64.4	42.7	0	0	111.5	K53 I54 Y59	K53-Q57 WeakPolarHBondContact CA-O 3.37Å; I54-Q57 PolarHBondContact N-O 3.41Å; I54-Q57 PolarHBondContact O-N 2.83Å; Q57-Y59 HydrophobicContact CB-CE2 3.84Å; Q57-Y59 HydrophobicContact CG-CD2 4.28Å; Q57-Y59 HydrophobicContact CG-CE2 3.55Å
58	E	96.8	Very high	95.5	Very high	51 Å²	51	55 Å²	55	24%	0.238	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	139.8	174	-56.5	-174.2	113.4	0	0	111.3	Y51 K53 Y60 P76 R77	Y51-E58 HydrophobicContact CE2-CB 4Å; Y51-E58 HydrophobicContact CE2-CG 4.06Å; Y51-E58 VanDerWaalsContact CE2-OE1 3.24Å; Y51-E58 WeakPolarHBondContact CE2-OE1 3.42Å; Y51-E58 PolarHBondContact OH-OE1 2.92Å; K53-E58 HydrophobicContact CG-CG 4.38Å; E58-Y60 HydrophobicContact CB-CE2 4.01Å; E58-Y60 PolarHBondContact OE2-OH 3.08Å; E58-P76 WeakPolarHBondContact O-CA 3.01Å; E58-R77 HydrophobicContact CB-CB 4.13Å; E58-R77 PolarHBondContact O-N 2.83Å
59	Y	98.1	Very high	95.2	Very high	69 Å²	69	59.2 Å²	59.2	27%	0.271	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.8	175.3	-61.5	-98	0	0	0	109.9	K52 I54 Q57 E75 P76	K52-Y59 PolarHBondContact N-O 2.95Å; K52-Y59 PolarHBondContact O-N 2.76Å; I54-Y59 HydrophobicContact CB-CE2 4.22Å; I54-Y59 HydrophobicContact CD1-CD2 4.37Å; I54-Y59 HydrophobicContact CD1-CE2 4.22Å; I54-Y59 HydrophobicContact CG1-CD2 4.45Å; I54-Y59 HydrophobicContact CG1-CE2 4.41Å; Q57-Y59 HydrophobicContact CB-CE2 3.84Å; Q57-Y59 HydrophobicContact CG-CD2 4.28Å; Q57-Y59 HydrophobicContact CG-CE2 3.55Å; Y59-E75 CarbonylContact C-O 3.59Å; Y59-E75 VanDerWaalsContact CA-O 3.32Å; Y59-E75 WeakPolarHBondContact CA-O 3.34Å; Y59-P76 HydrophobicContact CD1-CB 4.14Å; Y59-P76 HydrophobicContact CE1-CB 3.99Å
60	Y	98.3	Very high	95.1	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.2	177.8	-57.5	-103.1	0	0	0	109.4	L48 D50 Y51 E58 V62 W74 E75 R77 L80 L86 F89 H90	L48-Y60 HydrophobicContact CD1-CD1 3.78Å; L48-Y60 HydrophobicContact CD1-CE1 4.31Å; L48-Y60 HydrophobicContact CD1-CG 4.32Å; D50-Y60 VanDerWaalsContact O-CA 3.28Å; D50-Y60 WeakPolarHBondContact O-CA 3.16Å; Y51-Y60 AromaticContact CD2-CD1 3.97Å; Y51-Y60 HydrophobicContact CD2-CD1 3.97Å; Y51-Y60 AromaticContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE2 4.35Å; Y51-Y60 AromaticContact CD2-CZ 3.72Å; Y51-Y60 HydrophobicContact CE2-CE1 4.12Å; Y51-Y60 HydrophobicContact CE2-CE2 4.45Å; Y51-Y60 AromaticContact CE2-CZ 3.86Å; E58-Y60 HydrophobicContact CB-CE2 4.01Å; E58-Y60 PolarHBondContact OE2-OH 3.08Å; Y60-V62 PolarHBondContact O-N 2.92Å; Y60-W74 CarbonylContact O-C 3.52Å; Y60-W74 WeakPolarHBondContact O-CA 3.19Å; Y60-E75 PolarHBondContact N-O 3.2Å; Y60-E75 PolarHBondContact O-N 3.01Å; Y60-R77 HydrophobicContact CE2-CB 4.02Å; Y60-R77 HydrophobicContact CE2-CG 4.49Å; Y60-L80 HydrophobicContact CD2-CD1 3.56Å; Y60-L80 HydrophobicContact CE2-CD1 4.37Å; Y60-L80 HydrophobicContact CG-CD1 3.82Å; Y60-L86 HydrophobicContact CD1-CD2 4.17Å; Y60-L86 HydrophobicContact CD2-CD2 4.32Å; Y60-L86 HydrophobicContact CE1-CD2 3.77Å; Y60-L86 HydrophobicContact CE2-CD2 3.99Å; Y60-L86 HydrophobicContact CG-CD2 4.43Å; Y60-F89 HydrophobicContact CD1-CD1 4.35Å; Y60-F89 HydrophobicContact CD1-CE1 4.18Å; Y60-F89 HydrophobicContact CE1-CD1 4.1Å; Y60-F89 HydrophobicContact CE1-CE1 4.1Å; Y60-H90 AromaticContact CE1-NE2 3.69Å; Y60-H90 AromaticContact CZ-NE2 3.69Å; Y60-H90 PolarHBondContact OH-NE2 2.96Å
61	L	98.1	Very high	95	Very high	38 Å²	38	66.7 Å²	66.7	20%	0.199	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.2	170.2	-176.9	62.6	0	0	0	108.1	C49 D50 T73 W74	C49-L61 HydrophobicContact CB-CB 4.13Å; C49-L61 HydrophobicContact CB-CD2 3.97Å; C49-L61 HydrophobicContact CB-CG 4.02Å; C49-L61 PolarHBondContact N-O 3.06Å; D50-L61 HydrophobicContact CB-CB 3.66Å; D50-L61 HydrophobicContact CB-CD2 4.15Å; D50-L61 PolarHBondContact O-N 2.9Å; L61-T73 WeakPolarHBondContact CA-O 3.47Å; L61-W74 HydrophobicContact CB-CD2 4.07Å; L61-W74 HydrophobicContact CB-CE3 4.16Å; L61-W74 HydrophobicContact CB-CH2 4.16Å; L61-W74 HydrophobicContact CB-CZ2 4.04Å; L61-W74 HydrophobicContact CB-CZ3 4.19Å; L61-W74 HydrophobicContact CD1-CD2 4.42Å; L61-W74 HydrophobicContact CD1-CG 4.3Å
62	V	98.1	Very high	94.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.3	-171.2	-178.8	0	0	0	0	109.8	V45 L48 Y60 W64 S72 T73 E75 L80	V45-V62 HydrophobicContact CB-CG1 4.21Å; V45-V62 HydrophobicContact CG1-CG1 3.93Å; V45-V62 HydrophobicContact CG2-CG1 3.71Å; L48-V62 HydrophobicContact CD2-CG2 4Å; Y60-V62 PolarHBondContact O-N 2.92Å; V62-W64 HydrophobicContact CB-CD2 4.44Å; V62-W64 HydrophobicContact CB-CH2 4.42Å; V62-W64 HydrophobicContact CB-CZ2 4.04Å; V62-W64 HydrophobicContact CG1-CD2 3.72Å; V62-W64 HydrophobicContact CG1-CE3 3.72Å; V62-W64 HydrophobicContact CG1-CG 4.42Å; V62-W64 HydrophobicContact CG1-CH2 3.93Å; V62-W64 HydrophobicContact CG1-CZ2 3.91Å; V62-W64 HydrophobicContact CG1-CZ3 3.82Å; V62-W64 HydrophobicContact CG2-CZ2 4.49Å; V62-W64 PolarHBondContact O-N 2.83Å; V62-S72 WeakPolarHBondContact O-CA 3.33Å; V62-S72 WeakPolarHBondContact O-CB 3.21Å; V62-T73 PolarHBondContact N-O 3.02Å; V62-T73 PolarHBondContact O-N 3.08Å; V62-E75 HydrophobicContact CB-CG 4.42Å; V62-E75 HydrophobicContact CG2-CB 3.83Å; V62-E75 HydrophobicContact CG2-CG 3.68Å; V62-L80 HydrophobicContact CG2-CD2 3.86Å
63	K	97.7	Very high	94.9	Very high	10 Å²	10	68 Å²	68	4%	0.043	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	113.4	161.7	177.7	62	177	60.8	0	109	E46 Y47 Y67 D69	E46-K63 WeakPolarHBondContact CA-O 3.24Å; E46-K63 HydrophobicContact CB-CB 4.42Å; E46-K63 HydrophobicContact CB-CG 3.97Å; E46-K63 VanDerWaalsContact CB-O 3.23Å; E46-K63 WeakPolarHBondContact CB-O 3.26Å; E46-K63 PolarHBondContact N-O 2.96Å; E46-K63 IonicContact OE2-NZ 2.77Å; E46-K63 PolarHBondContact OE2-NZ 2.85Å; Y47-K63 HydrophobicContact CD1-CB 4.31Å; Y47-K63 HydrophobicContact CD1-CG 4.26Å; Y47-K63 HydrophobicContact CD2-CB 3.82Å; Y47-K63 HydrophobicContact CD2-CG 4.47Å; Y47-K63 HydrophobicContact CE1-CB 4.12Å; Y47-K63 HydrophobicContact CE1-CG 3.73Å; Y47-K63 HydrophobicContact CE2-CB 3.59Å; Y47-K63 HydrophobicContact CE2-CG 3.96Å; Y47-K63 HydrophobicContact CG-CB 4.16Å; Y47-K63 PolarHBondContact O-N 3.43Å; K63-Y67 VanDerWaalsContact CE-O 3.22Å; K63-Y67 WeakPolarHBondContact CE-O 3.45Å; K63-Y67 PolarHBondContact NZ-O 3.49Å; K63-D69 WeakPolarHBondContact CD-OD1 3.4Å; K63-D69 WeakPolarHBondContact CE-OD1 3.44Å
64	W	95	Very high	94.9	Very high	37 Å²	37	69.2 Å²	69.2	14%	0.14	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.3	177.5	-58	110.6	0	0	0	111.7	F43 V45 V62 G66 Y67 E71 T73 E75	F43-W64 HydrophobicContact CB-CD2 4.42Å; F43-W64 HydrophobicContact CB-CE3 3.58Å; F43-W64 HydrophobicContact CB-CH2 4.47Å; F43-W64 HydrophobicContact CB-CZ3 3.61Å; V45-W64 HydrophobicContact CG2-CZ3 4.16Å; V62-W64 HydrophobicContact CB-CD2 4.44Å; V62-W64 HydrophobicContact CB-CH2 4.42Å; V62-W64 HydrophobicContact CB-CZ2 4.04Å; V62-W64 HydrophobicContact CG1-CD2 3.72Å; V62-W64 HydrophobicContact CG1-CE3 3.72Å; V62-W64 HydrophobicContact CG1-CG 4.42Å; V62-W64 HydrophobicContact CG1-CH2 3.93Å; V62-W64 HydrophobicContact CG1-CZ2 3.91Å; V62-W64 HydrophobicContact CG1-CZ3 3.82Å; V62-W64 HydrophobicContact CG2-CZ2 4.49Å; V62-W64 PolarHBondContact O-N 2.83Å; W64-G66 PolarHBondContact O-N 3.48Å; W64-Y67 HydrophobicContact CB-CD2 3.63Å; W64-Y67 HydrophobicContact CB-CE2 4.47Å; W64-Y67 HydrophobicContact CB-CG 4.11Å; W64-Y67 PolarHBondContact O-N 2.91Å; W64-E71 VanDerWaalsContact CD1-O 3.26Å; W64-T73 WeakPolarHBondContact CZ2-OG1 3.4Å; W64-T73 PolarHBondContact NE1-OG1 3.41Å; W64-E75 HydrophobicContact CH2-CG 3.94Å; W64-E75 HydrophobicContact CZ2-CG 3.67Å
65	R	92.5	Very high	95	Very high	101 Å²	101	67.1 Å²	67.1	38%	0.381	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	127.4	-178.3	-169.8	-179.8	-144.8	-104.9	-0.2	110.8	N17 E44 E46 Y67	N17-R65 PolarHBondContact ND2-NH1 3.39Å; N17-R65 VanDerWaalsContact ND2-NH1 3.15Å; E44-R65 HydrophobicContact CB-CB 4.07Å; E44-R65 HydrophobicContact CG-CB 4.4Å; E44-R65 WeakPolarHBondContact O-CB 3.47Å; E44-R65 PolarHBondContact O-N 3.47Å; E44-R65 VanDerWaalsContact OE1-CD 3.29Å; E44-R65 WeakPolarHBondContact OE1-CD 3.34Å; E44-R65 IonicContact OE1-CZ 3.06Å; E44-R65 IonicContact OE1-NE 3.67Å; E44-R65 PolarHBondContact OE1-NE 3.03Å; E44-R65 WeakPolarHBondContact OE2-CD 3.35Å; E44-R65 IonicContact OE2-NE 2.81Å; E44-R65 IonicContact OE2-NH1 3.39Å; E46-R65 HydrophobicContact CB-CB 4.09Å; E46-R65 WeakPolarHBondContact OE2-CA 3.49Å; R65-Y67 VanDerWaalsContact C-N 3.3Å; R65-Y67 WeakPolarHBondContact O-CD2 3.36Å
66	G	88.2	Confident	95.3	Very high	71 Å²	71	57.8 Å²	57.8	73%	0.732	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-7.4	178.7	0	0	0	0	0	115.1	W64	W64-G66 PolarHBondContact O-N 3.48Å
67	Y	91.6	Very high	95.5	Very high	32 Å²	32	55.1 Å²	55.1	13%	0.125	29%	0.289	C	S	.	.	S	Bend	trans	-100.9	157.1	178.6	-64.6	-91	0	0	0	111.4	D21 L25 F43 K63 W64 R65 E71	D21-Y67 WeakPolarHBondContact CB-OH 3.33Å; L25-Y67 HydrophobicContact CD1-CE1 4.42Å; F43-Y67 HydrophobicContact CD1-CE2 4.33Å; K63-Y67 VanDerWaalsContact CE-O 3.22Å; K63-Y67 WeakPolarHBondContact CE-O 3.45Å; K63-Y67 PolarHBondContact NZ-O 3.49Å; W64-Y67 HydrophobicContact CB-CD2 3.63Å; W64-Y67 HydrophobicContact CB-CE2 4.47Å; W64-Y67 HydrophobicContact CB-CG 4.11Å; W64-Y67 PolarHBondContact O-N 2.91Å; R65-Y67 VanDerWaalsContact C-N 3.3Å; R65-Y67 WeakPolarHBondContact O-CD2 3.36Å; Y67-E71 VanDerWaalsContact CD1-OE2 3.26Å; Y67-E71 WeakPolarHBondContact CD1-OE2 3.23Å
68	P	93.7	Very high	95.5	Very high	65 Å²	65	58.9 Å²	58.9	42%	0.422	31%	0.307	S	S	.	.			trans	-68.5	160.1	172.7	28.6	-34.6	0	0	0	112.1	S70 E71	P68-S70 WeakPolarHBondContact CG-OG 3.48Å; P68-S70 PolarHBondContact O-N 3.42Å; P68-S70 VanDerWaalsContact O-N 3.15Å; P68-E71 WeakPolarHBondContact CD-OE1 3.4Å; P68-E71 HydrophobicContact CG-CB 4.49Å; P68-E71 HydrophobicContact CG-CG 4.05Å; P68-E71 PolarHBondContact O-N 3.41Å; P68-E71 VanDerWaalsContact O-N 3.08Å
69	D	92.4	Very high	95.4	Very high	90 Å²	90	60.5 Å²	60.5	48%	0.481	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.6	178	-74.7	-5.4	0	0	0	112.1	K63 E71 S72 K123	K63-D69 WeakPolarHBondContact CD-OD1 3.4Å; K63-D69 WeakPolarHBondContact CE-OD1 3.44Å; D69-E71 PolarHBondContact O-N 3.13Å; D69-S72 VanDerWaalsContact O-CB 3.32Å; D69-S72 WeakPolarHBondContact O-CB 3.48Å; D69-S72 PolarHBondContact O-N 3.15Å; D69-S72 VanDerWaalsContact O-N 3.13Å; D69-S72 PolarHBondContact O-OG 3.25Å; D69-K123 IonicContact OD2-NZ 3.02Å
70	S	95.3	Very high	95.3	Very high	108 Å²	108	57.5 Å²	57.5	76%	0.755	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.6	177.4	55.3	0	0	0	0	114.7	P68	P68-S70 WeakPolarHBondContact CG-OG 3.48Å; P68-S70 PolarHBondContact O-N 3.42Å; P68-S70 VanDerWaalsContact O-N 3.15Å
71	E	94.3	Very high	95.1	Very high	97 Å²	97	65.1 Å²	65.1	45%	0.453	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-94.9	7.7	177.4	-72.1	-171.7	-126	0	0	112.8	W64 Y67 P68 D69 T73	W64-E71 VanDerWaalsContact CD1-O 3.26Å; Y67-E71 VanDerWaalsContact CD1-OE2 3.26Å; Y67-E71 WeakPolarHBondContact CD1-OE2 3.23Å; P68-E71 WeakPolarHBondContact CD-OE1 3.4Å; P68-E71 HydrophobicContact CG-CB 4.49Å; P68-E71 HydrophobicContact CG-CG 4.05Å; P68-E71 PolarHBondContact O-N 3.41Å; P68-E71 VanDerWaalsContact O-N 3.08Å; D69-E71 PolarHBondContact O-N 3.13Å; E71-T73 PolarHBondContact O-N 3.18Å
72	S	96.3	Very high	94.9	Very high	26 Å²	26	64.6 Å²	64.6	18%	0.182	34%	0.338	C	S	.	.			trans	-64.3	131.3	176.3	-55.1	0	0	0	0	111.1	V62 D69	V62-S72 WeakPolarHBondContact O-CA 3.33Å; V62-S72 WeakPolarHBondContact O-CB 3.21Å; D69-S72 VanDerWaalsContact O-CB 3.32Å; D69-S72 WeakPolarHBondContact O-CB 3.48Å; D69-S72 PolarHBondContact O-N 3.15Å; D69-S72 VanDerWaalsContact O-N 3.13Å; D69-S72 PolarHBondContact O-OG 3.25Å
73	T	96.8	Very high	94.8	Very high	57 Å²	57	68.1 Å²	68.1	35%	0.35	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.7	-177.9	60.2	0	0	0	0	112.3	L61 V62 W64 E71 E75	L61-T73 WeakPolarHBondContact CA-O 3.47Å; V62-T73 PolarHBondContact N-O 3.02Å; V62-T73 PolarHBondContact O-N 3.08Å; W64-T73 WeakPolarHBondContact CZ2-OG1 3.4Å; W64-T73 PolarHBondContact NE1-OG1 3.41Å; E71-T73 PolarHBondContact O-N 3.18Å; T73-E75 PolarHBondContact OG1-OE1 3.46Å
74	W	97.8	Very high	94.7	Very high	85 Å²	85	77.6 Å²	77.6	32%	0.322	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.5	172.9	-76.7	96.3	0	0	0	110.3	D50 K52 Y60 L61	D50-W74 HydrophobicContact CB-CH2 3.66Å; D50-W74 HydrophobicContact CB-CZ2 4.09Å; D50-W74 HydrophobicContact CB-CZ3 4.41Å; D50-W74 WeakPolarHBondContact OD2-CH2 3.45Å; K52-W74 HydrophobicContact CB-CH2 4.23Å; K52-W74 HydrophobicContact CB-CZ3 4.17Å; K52-W74 HydrophobicContact CD-CD2 4.24Å; K52-W74 HydrophobicContact CD-CE3 4Å; K52-W74 HydrophobicContact CD-CH2 3.87Å; K52-W74 HydrophobicContact CD-CZ2 4.13Å; K52-W74 HydrophobicContact CD-CZ3 3.82Å; K52-W74 HydrophobicContact CG-CE3 4Å; K52-W74 HydrophobicContact CG-CH2 3.95Å; K52-W74 HydrophobicContact CG-CZ3 3.57Å; Y60-W74 CarbonylContact O-C 3.52Å; Y60-W74 WeakPolarHBondContact O-CA 3.19Å; L61-W74 HydrophobicContact CB-CD2 4.07Å; L61-W74 HydrophobicContact CB-CE3 4.16Å; L61-W74 HydrophobicContact CB-CH2 4.16Å; L61-W74 HydrophobicContact CB-CZ2 4.04Å; L61-W74 HydrophobicContact CB-CZ3 4.19Å; L61-W74 HydrophobicContact CD1-CD2 4.42Å; L61-W74 HydrophobicContact CD1-CG 4.3Å
75	E	97	Very high	94.7	Very high	39 Å²	39	78.2 Å²	78.2	18%	0.182	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.6	179.2	-64.4	-55.7	137.9	0	0	111.4	Y59 Y60 V62 W64 T73 N79 L80	Y59-E75 CarbonylContact C-O 3.59Å; Y59-E75 VanDerWaalsContact CA-O 3.32Å; Y59-E75 WeakPolarHBondContact CA-O 3.34Å; Y60-E75 PolarHBondContact N-O 3.2Å; Y60-E75 PolarHBondContact O-N 3.01Å; V62-E75 HydrophobicContact CB-CG 4.42Å; V62-E75 HydrophobicContact CG2-CB 3.83Å; V62-E75 HydrophobicContact CG2-CG 3.68Å; W64-E75 HydrophobicContact CH2-CG 3.94Å; W64-E75 HydrophobicContact CZ2-CG 3.67Å; T73-E75 PolarHBondContact OG1-OE1 3.46Å; E75-N79 PolarHBondContact OE2-ND2 3.36Å; E75-L80 HydrophobicContact CB-CD2 4.03Å; E75-L80 HydrophobicContact CB-CG 4.36Å
76	P	97.2	Very high	95	Very high	21 Å²	21	73.8 Å²	73.8	14%	0.136	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	146.6	171.7	29.7	-34.6	0	0	0	110.4	E58 Y59 Q78 N79	E58-P76 WeakPolarHBondContact O-CA 3.01Å; Y59-P76 HydrophobicContact CD1-CB 4.14Å; Y59-P76 HydrophobicContact CE1-CB 3.99Å; P76-Q78 HydrophobicContact CB-CG 4.19Å; P76-Q78 HydrophobicContact CG-CG 4.14Å; P76-Q78 PolarHBondContact O-N 2.98Å; P76-N79 WeakPolarHBondContact CD-ND2 3.29Å; P76-N79 HydrophobicContact CG-CB 4.36Å; P76-N79 WeakPolarHBondContact O-CB 3.48Å; P76-N79 PolarHBondContact O-N 3.34Å
77	R	95.9	Very high	95.4	Very high	92 Å²	92	77.6 Å²	77.6	35%	0.347	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-45.8	-37	179.7	175.4	57	-172.8	84.1	2	114.5	E58 Y60 N79 L80	E58-R77 HydrophobicContact CB-CB 4.13Å; E58-R77 PolarHBondContact O-N 2.83Å; Y60-R77 HydrophobicContact CE2-CB 4.02Å; Y60-R77 HydrophobicContact CE2-CG 4.49Å; R77-N79 PolarHBondContact O-N 3.09Å; R77-L80 PolarHBondContact NH1-O 3.11Å; R77-L80 PolarHBondContact O-N 3.42Å; R77-L80 VanDerWaalsContact O-N 3.15Å
78	Q	94.7	Very high	95.6	Very high	146 Å²	146	77.8 Å²	77.8	68%	0.682	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-64.3	-25.3	-178.9	69.8	-171.4	13.5	0	0	113.7	P76 L80	P76-Q78 HydrophobicContact CB-CG 4.19Å; P76-Q78 HydrophobicContact CG-CG 4.14Å; P76-Q78 PolarHBondContact O-N 2.98Å; Q78-L80 VanDerWaalsContact C-N 3.35Å
79	N	94.8	Very high	95.8	Very high	85 Å²	85	75.2 Å²	75.2	46%	0.455	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-79.6	-20.9	176.9	-68.1	4.9	0	0	0	111.9	E75 P76 R77 K81	E75-N79 PolarHBondContact OE2-ND2 3.36Å; P76-N79 WeakPolarHBondContact CD-ND2 3.29Å; P76-N79 HydrophobicContact CG-CB 4.36Å; P76-N79 WeakPolarHBondContact O-CB 3.48Å; P76-N79 PolarHBondContact O-N 3.34Å; R77-N79 PolarHBondContact O-N 3.09Å; N79-K81 PolarHBondContact O-N 3.38Å
80	L	95.4	Very high	96	Very high	6 Å²	6	73.3 Å²	73.3	3%	0.031	35%	0.353	C	S	.	.			trans	-89.7	98.7	-172.9	-59.6	179.3	0	0	0	111.6	V45 L48 Y60 V62 E75 R77 Q78 C82 L86	V45-L80 HydrophobicContact CG2-CD2 4.19Å; L48-L80 HydrophobicContact CD2-CD1 4.18Å; Y60-L80 HydrophobicContact CD2-CD1 3.56Å; Y60-L80 HydrophobicContact CE2-CD1 4.37Å; Y60-L80 HydrophobicContact CG-CD1 3.82Å; V62-L80 HydrophobicContact CG2-CD2 3.86Å; E75-L80 HydrophobicContact CB-CD2 4.03Å; E75-L80 HydrophobicContact CB-CG 4.36Å; R77-L80 PolarHBondContact NH1-O 3.11Å; R77-L80 PolarHBondContact O-N 3.42Å; R77-L80 VanDerWaalsContact O-N 3.15Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; L80-C82 VanDerWaalsContact C-N 3.28Å; L80-L86 HydrophobicContact CB-CD1 3.92Å; L80-L86 HydrophobicContact CD1-CD2 4Å
81	K	94	Very high	96	Very high	161 Å²	161	72.1 Å²	72.1	70%	0.7	34%	0.335	S	S	*	.			trans	-81.1	-4.3	173.9	-59.5	174.8	-171.9	160.1	0	113.2	D42 N79 V83	D42-K81 IonicContact OD1-NZ 3.24Å; D42-K81 PolarHBondContact OD1-NZ 3.27Å; D42-K81 IonicContact OD2-NZ 3.96Å; N79-K81 PolarHBondContact O-N 3.38Å; K81-V83 VanDerWaalsContact C-N 3.3Å; K81-V83 PolarHBondContact O-N 2.95Å
82	C	93.8	Very high	96.1	Very high	27 Å²	27	67.9 Å²	67.9	18%	0.182	32%	0.315	C	S	.	.			trans	-80.3	62.5	-175.6	57.6	0	0	0	0	113.5	V45 L80 R84 I85 L86	V45-C82 HydrophobicContact CB-CB 4.49Å; L80-C82 VanDerWaalsContact C-N 3.28Å; C82-R84 PolarHBondContact O-N 2.87Å; C82-I85 HydrophobicContact CB-CB 4.18Å; C82-I85 HydrophobicContact CB-CD1 4.11Å; C82-I85 HydrophobicContact CB-CG1 4.27Å; C82-I85 PolarHBondContact O-N 3.05Å; C82-L86 PolarHBondContact O-N 2.99Å; C82-L86 VanDerWaalsContact O-N 3.08Å
83	V	95.8	Very high	96	Very high	74 Å²	74	66.7 Å²	66.7	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-50.4	-39.5	-173.8	-179.7	0	0	0	0	113.4	K81 K87	K81-V83 VanDerWaalsContact C-N 3.3Å; K81-V83 PolarHBondContact O-N 2.95Å; V83-K87 HydrophobicContact CG1-CD 4.17Å; V83-K87 HydrophobicContact CG1-CG 4.4Å; V83-K87 WeakPolarHBondContact O-CB 3.5Å; V83-K87 WeakPolarHBondContact O-CG 3.22Å; V83-K87 PolarHBondContact O-N 3.38Å
84	R	95.7	Very high	96	Very high	209 Å²	209	68.3 Å²	68.3	79%	0.789	31%	0.31	S	S	*	.	H	α-helix	trans	-66.3	-40.9	179.1	-68.4	179.6	67.4	-176.7	2.1	112.7	C82 Q88	C82-R84 PolarHBondContact O-N 2.87Å; R84-Q88 WeakPolarHBondContact O-CB 3.23Å; R84-Q88 PolarHBondContact O-N 2.79Å
85	I	96.5	Very high	95.8	Very high	51 Å²	51	69 Å²	69	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-69.7	-43.3	179.5	-60.3	-179.4	0	0	0	109.7	V45 L48 C82 Q88 F89	V45-I85 HydrophobicContact CB-CD1 4.06Å; V45-I85 HydrophobicContact CG1-CD1 3.89Å; V45-I85 HydrophobicContact CG1-CG2 4.27Å; V45-I85 WeakPolarHBondContact O-CD1 3.19Å; L48-I85 HydrophobicContact CD1-CG2 4.14Å; L48-I85 HydrophobicContact CG-CG2 3.87Å; C82-I85 HydrophobicContact CB-CB 4.18Å; C82-I85 HydrophobicContact CB-CD1 4.11Å; C82-I85 HydrophobicContact CB-CG1 4.27Å; C82-I85 PolarHBondContact O-N 3.05Å; I85-Q88 PolarHBondContact O-N 3.27Å; I85-F89 WeakPolarHBondContact O-CB 3.32Å; I85-F89 PolarHBondContact O-N 2.8Å
86	L	97.4	Very high	95.7	Very high	7 Å²	7	67.6 Å²	67.6	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-49	175.6	-76.6	162.7	0	0	0	112.5	L48 Y60 L80 C82 Q88 F89 H90	L48-L86 HydrophobicContact CD1-CD2 3.65Å; L48-L86 HydrophobicContact CD1-CG 4.16Å; Y60-L86 HydrophobicContact CD1-CD2 4.17Å; Y60-L86 HydrophobicContact CD2-CD2 4.32Å; Y60-L86 HydrophobicContact CE1-CD2 3.77Å; Y60-L86 HydrophobicContact CE2-CD2 3.99Å; Y60-L86 HydrophobicContact CG-CD2 4.43Å; L80-L86 HydrophobicContact CB-CD1 3.92Å; L80-L86 HydrophobicContact CD1-CD2 4Å; C82-L86 PolarHBondContact O-N 2.99Å; C82-L86 VanDerWaalsContact O-N 3.08Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.75Å; L86-F89 PolarHBondContact O-N 2.59Å; L86-H90 PolarHBondContact O-CD2 3.47Å; L86-H90 PolarHBondContact O-N 3.31Å; L86-H90 VanDerWaalsContact O-N 3.09Å
87	K	96.7	Very high	95.5	Very high	151 Å²	151	67.1 Å²	67.1	66%	0.657	30%	0.302	S	S	*	.	H	α-helix	trans	-59.8	-41.8	176.6	-76.4	-177	177.5	-173.5	0	111.7	V83 K91	V83-K87 HydrophobicContact CG1-CD 4.17Å; V83-K87 HydrophobicContact CG1-CG 4.4Å; V83-K87 WeakPolarHBondContact O-CB 3.5Å; V83-K87 WeakPolarHBondContact O-CG 3.22Å; V83-K87 PolarHBondContact O-N 3.38Å; K87-K91 WeakPolarHBondContact O-CB 3.47Å; K87-K91 PolarHBondContact O-N 2.67Å
88	Q	96.2	Very high	95.4	Very high	37 Å²	37	66.4 Å²	66.4	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-44.1	179.1	-173.7	58.6	72.6	0	0	112.2	R84 I85 L86 H90 K91 D92	R84-Q88 WeakPolarHBondContact O-CB 3.23Å; R84-Q88 PolarHBondContact O-N 2.79Å; I85-Q88 PolarHBondContact O-N 3.27Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.75Å; Q88-H90 PolarHBondContact O-N 3.25Å; Q88-K91 PolarHBondContact O-N 2.89Å; Q88-D92 VanDerWaalsContact NE2-CG 3.34Å; Q88-D92 PolarHBondContact NE2-OD1 3.15Å; Q88-D92 PolarHBondContact NE2-OD2 3.16Å; Q88-D92 VanDerWaalsContact O-CG 3.27Å; Q88-D92 PolarHBondContact O-N 3.47Å
89	F	97.4	Very high	95.2	Very high	10 Å²	10	67.2 Å²	67.2	4%	0.044	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-47.9	176.8	177.4	-89.6	0	0	0	111.7	L48 Y51 Y60 I85 L86 K91 D92 L93 L110 L118	L48-F89 HydrophobicContact CB-CB 4.47Å; L48-F89 HydrophobicContact CB-CD2 3.54Å; L48-F89 HydrophobicContact CB-CE2 3.9Å; L48-F89 HydrophobicContact CB-CG 4.09Å; L48-F89 HydrophobicContact CD1-CB 4Å; L48-F89 HydrophobicContact CD1-CD2 4.43Å; L48-F89 HydrophobicContact CD1-CG 4.11Å; Y51-F89 HydrophobicContact CG-CE1 4.48Å; Y60-F89 HydrophobicContact CD1-CD1 4.35Å; Y60-F89 HydrophobicContact CD1-CE1 4.18Å; Y60-F89 HydrophobicContact CE1-CD1 4.1Å; Y60-F89 HydrophobicContact CE1-CE1 4.1Å; I85-F89 WeakPolarHBondContact O-CB 3.32Å; I85-F89 PolarHBondContact O-N 2.8Å; L86-F89 PolarHBondContact O-N 2.59Å; F89-K91 PolarHBondContact O-N 3.31Å; F89-D92 PolarHBondContact O-N 3.03Å; F89-L93 HydrophobicContact CE1-CD2 4.21Å; F89-L93 VanDerWaalsContact O-CB 3.31Å; F89-L93 WeakPolarHBondContact O-CB 2.82Å; F89-L93 PolarHBondContact O-N 3.48Å; F89-L110 HydrophobicContact CZ-CD1 4.12Å; F89-L118 HydrophobicContact CD2-CD1 4.33Å; F89-L118 HydrophobicContact CE1-CD1 4.32Å; F89-L118 HydrophobicContact CE2-CB 4.13Å; F89-L118 HydrophobicContact CE2-CD1 3.57Å; F89-L118 HydrophobicContact CE2-CG 4.37Å; F89-L118 HydrophobicContact CZ-CD1 3.56Å
90	H	96.3	Very high	95	Very high	51 Å²	51	66.9 Å²	66.9	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-35	178.3	-80.4	-67.3	0	0	0	113	Y60 L86 Q88 L93 E94	Y60-H90 AromaticContact CE1-NE2 3.69Å; Y60-H90 AromaticContact CZ-NE2 3.69Å; Y60-H90 PolarHBondContact OH-NE2 2.96Å; L86-H90 PolarHBondContact O-CD2 3.47Å; L86-H90 PolarHBondContact O-N 3.31Å; L86-H90 VanDerWaalsContact O-N 3.09Å; Q88-H90 PolarHBondContact O-N 3.25Å; H90-L93 PolarHBondContact O-N 2.87Å; H90-E94 VanDerWaalsContact O-CB 3.31Å; H90-E94 WeakPolarHBondContact O-CB 3.41Å; H90-E94 PolarHBondContact O-N 3.45Å
91	K	95.7	Very high	94.6	Very high	83 Å²	83	71.6 Å²	71.6	36%	0.361	32%	0.316	S	S	.	.	H	α-helix	trans	-63.6	-44.3	173	-175.9	-176.3	178.4	-168	0	111.8	K87 Q88 F89 R95	K87-K91 WeakPolarHBondContact O-CB 3.47Å; K87-K91 PolarHBondContact O-N 2.67Å; Q88-K91 PolarHBondContact O-N 2.89Å; F89-K91 PolarHBondContact O-N 3.31Å; K91-R95 WeakPolarHBondContact O-CB 3.45Å; K91-R95 VanDerWaalsContact O-CG 3.28Å; K91-R95 WeakPolarHBondContact O-CG 3.34Å; K91-R95 PolarHBondContact O-N 3.07Å; K91-R95 VanDerWaalsContact O-N 3.17Å
92	D	96.2	Very high	94.3	Very high	7 Å²	7	72 Å²	72	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-39.4	178.3	-66.1	-27.3	0	0	0	110.7	Q88 F89 E96 L118 K121 R125	Q88-D92 VanDerWaalsContact NE2-CG 3.34Å; Q88-D92 PolarHBondContact NE2-OD1 3.15Å; Q88-D92 PolarHBondContact NE2-OD2 3.16Å; Q88-D92 VanDerWaalsContact O-CG 3.27Å; Q88-D92 PolarHBondContact O-N 3.47Å; F89-D92 PolarHBondContact O-N 3.03Å; D92-E96 PolarHBondContact O-N 2.99Å; D92-E96 VanDerWaalsContact O-N 3.1Å; D92-L118 HydrophobicContact CB-CD2 3.85Å; D92-K121 HydrophobicContact CB-CG 4.13Å; D92-R125 IonicContact OD1-CZ 2.61Å; D92-R125 IonicContact OD1-NH2 2.7Å; D92-R125 PolarHBondContact OD1-NH2 3.19Å; D92-R125 IonicContact OD2-NE 3.37Å; D92-R125 IonicContact OD2-NH2 3.2Å
93	L	95.8	Very high	94	Very high	1 Å²	1	79.7 Å²	79.7	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-49.8	175.4	173.9	59.2	0	0	0	112.4	F89 H90 R95 E96 L97 T106 L110 L114 L118	F89-L93 HydrophobicContact CE1-CD2 4.21Å; F89-L93 VanDerWaalsContact O-CB 3.31Å; F89-L93 WeakPolarHBondContact O-CB 2.82Å; F89-L93 PolarHBondContact O-N 3.48Å; H90-L93 PolarHBondContact O-N 2.87Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.41Å; L93-E96 PolarHBondContact O-N 2.68Å; L93-L97 HydrophobicContact CD1-CD1 3.8Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.46Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 VanDerWaalsContact O-CG 3.26Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 2.94Å; L93-T106 HydrophobicContact CD2-CG2 3.87Å; L93-L110 HydrophobicContact CD1-CD2 3.76Å; L93-L110 HydrophobicContact CD2-CD2 4.2Å; L93-L114 HydrophobicContact CD1-CD1 4.13Å; L93-L114 HydrophobicContact CD1-CD2 3.68Å; L93-L114 HydrophobicContact CD1-CG 4.02Å; L93-L118 HydrophobicContact CB-CD1 4.28Å; L93-L118 HydrophobicContact CB-CD2 4.14Å; L93-L118 HydrophobicContact CD1-CD1 4.16Å
94	E	95	Very high	93.4	Very high	92 Å²	92	79 Å²	79	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-59.3	-42.8	179.2	-179.3	174.2	-158.1	0	0	111.6	H90 L97 L98	H90-E94 VanDerWaalsContact O-CB 3.31Å; H90-E94 WeakPolarHBondContact O-CB 3.41Å; H90-E94 PolarHBondContact O-N 3.45Å; E94-L97 PolarHBondContact O-N 3.15Å; E94-L98 HydrophobicContact CG-CD1 4.08Å; E94-L98 WeakPolarHBondContact O-CB 3.31Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 3.16Å
95	R	93.8	Very high	93.1	Very high	98 Å²	98	77.8 Å²	77.8	37%	0.37	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-45.7	177.5	-76.2	174.1	171.8	-159.1	-16.9	112.6	K91 L93 L98 R99 E150	K91-R95 WeakPolarHBondContact O-CB 3.45Å; K91-R95 VanDerWaalsContact O-CG 3.28Å; K91-R95 WeakPolarHBondContact O-CG 3.34Å; K91-R95 PolarHBondContact O-N 3.07Å; K91-R95 VanDerWaalsContact O-N 3.17Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.41Å; R95-L98 PolarHBondContact O-N 3.4Å; R95-R99 WeakPolarHBondContact O-CB 3.43Å; R95-R99 PolarHBondContact O-N 2.92Å; R95-E150 IonicContact CZ-OE2 3.83Å; R95-E150 IonicContact NH1-OE1 3.67Å; R95-E150 IonicContact NH1-OE2 2.95Å; R95-E150 PolarHBondContact NH1-OE2 2.61Å
96	E	94.6	Very high	92.8	Very high	11 Å²	11	77.9 Å²	77.9	5%	0.051	35%	0.347	C	S	.	.	H	α-helix	trans	-69.6	-35.6	179.9	-172.8	64.3	-177.4	0	0	111.9	D92 L93 R99 R100 L114 Y117	D92-E96 PolarHBondContact O-N 2.99Å; D92-E96 VanDerWaalsContact O-N 3.1Å; L93-E96 PolarHBondContact O-N 2.68Å; E96-R99 PolarHBondContact O-N 2.92Å; E96-R100 HydrophobicContact CG-CG 4.41Å; E96-R100 WeakPolarHBondContact O-CB 3.49Å; E96-R100 WeakPolarHBondContact O-CG 3.01Å; E96-R100 PolarHBondContact O-N 2.7Å; E96-R100 IonicContact OE1-CZ 2.9Å; E96-R100 IonicContact OE1-NE 2.82Å; E96-R100 PolarHBondContact OE1-NE 3.02Å; E96-R100 IonicContact OE1-NH2 3.77Å; E96-R100 PolarHBondContact OE1-NH2 3.26Å; E96-L114 HydrophobicContact CB-CD1 3.92Å; E96-L114 HydrophobicContact CG-CD1 3.49Å; E96-L114 VanDerWaalsContact CG-CD1 3.49Å; E96-Y117 HydrophobicContact CB-CD1 3.84Å; E96-Y117 HydrophobicContact CB-CE1 3.6Å; E96-Y117 HydrophobicContact CG-CD1 3.58Å; E96-Y117 HydrophobicContact CG-CD2 4.35Å; E96-Y117 HydrophobicContact CG-CE1 3.74Å; E96-Y117 HydrophobicContact CG-CE2 4.46Å; E96-Y117 HydrophobicContact CG-CG 3.92Å; E96-Y117 WeakPolarHBondContact OE2-CE2 3.31Å; E96-Y117 VanDerWaalsContact OE2-CZ 3.29Å
97	L	94.3	Very high	92.5	Very high	10 Å²	10	79.7 Å²	79.7	5%	0.052	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-43.4	173.1	-72.3	173.1	0	0	0	111.9	L93 E94 R99 R100 H101 R103 L114	L93-L97 HydrophobicContact CD1-CD1 3.8Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.46Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 VanDerWaalsContact O-CG 3.26Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 2.94Å; E94-L97 PolarHBondContact O-N 3.15Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.31Å; L97-R100 PolarHBondContact O-N 3.42Å; L97-H101 PolarHBondContact O-N 3.17Å; L97-R103 CarbonylContact C-O 3.58Å; L97-R103 VanDerWaalsContact CB-O 3.26Å; L97-R103 WeakPolarHBondContact CB-O 3.44Å; L97-L114 HydrophobicContact CD2-CD2 3.71Å; L97-L114 HydrophobicContact CG-CD2 4.35Å
98	L	93.6	Very high	92.4	Very high	78 Å²	78	81 Å²	81	41%	0.408	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-41.4	174.9	-76.2	168.1	0	0	0	111.3	E94 R95 H102 R103	E94-L98 HydrophobicContact CG-CD1 4.08Å; E94-L98 WeakPolarHBondContact O-CB 3.31Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 3.16Å; R95-L98 PolarHBondContact O-N 3.4Å; L98-H102 VanDerWaalsContact O-CA 3.26Å; L98-H102 WeakPolarHBondContact O-CA 3.31Å; L98-H102 PolarHBondContact O-N 3.1Å; L98-R103 PolarHBondContact N-O 2.95Å
99	R	90	Very high	92.3	Very high	162 Å²	162	84.7 Å²	84.7	61%	0.611	38%	0.377	S	S	*	.	H	α-helix	trans	-65.5	-42.4	177.3	-175.5	-175.4	174.9	176.2	3.1	113	R95 E96 L97	R95-R99 WeakPolarHBondContact O-CB 3.43Å; R95-R99 PolarHBondContact O-N 2.92Å; E96-R99 PolarHBondContact O-N 2.92Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.31Å
100	R	90.7	Very high	92.2	Very high	79 Å²	79	85 Å²	85	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-82.9	-36.5	-175.7	-70.3	-176.7	-174.4	-161.7	1.9	114.1	E96 L97 D111 S113	E96-R100 HydrophobicContact CG-CG 4.41Å; E96-R100 WeakPolarHBondContact O-CB 3.49Å; E96-R100 WeakPolarHBondContact O-CG 3.01Å; E96-R100 PolarHBondContact O-N 2.7Å; E96-R100 IonicContact OE1-CZ 2.9Å; E96-R100 IonicContact OE1-NE 2.82Å; E96-R100 PolarHBondContact OE1-NE 3.02Å; E96-R100 IonicContact OE1-NH2 3.77Å; E96-R100 PolarHBondContact OE1-NH2 3.26Å; L97-R100 PolarHBondContact O-N 3.42Å; R100-D111 IonicContact NH1-OD1 3.94Å; R100-S113 PolarHBondContact NH1-OG 2.97Å; R100-S113 PolarHBondContact NH2-OG 2.93Å
101	H	88	Confident	92.1	Very high	104 Å²	104	85.6 Å²	85.6	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-131.2	-0.1	-164.8	-57.6	-52.3	0	0	0	113.9	L97 R103	L97-H101 PolarHBondContact O-N 3.17Å; H101-R103 PolarHBondContact O-N 2.77Å; H101-R103 VanDerWaalsContact O-N 3.17Å
102	H	87.2	Confident	92.1	Very high	169 Å²	169	87 Å²	87	78%	0.782	40%	0.402	S	S	*	.	S	Bend	trans	52.7	32.9	-173.4	-57.7	-73.5	0	0	0	113.1	L98	L98-H102 VanDerWaalsContact O-CA 3.26Å; L98-H102 WeakPolarHBondContact O-CA 3.31Å; L98-H102 PolarHBondContact O-N 3.1Å
103	R	86.9	Confident	92.1	Very high	190 Å²	190	89.8 Å²	89.8	72%	0.717	42%	0.422	S	S	*	.			trans	-140.1	145.7	179.6	-68.5	178.7	179.1	-179.7	0	109.9	L97 L98 H101	L97-R103 CarbonylContact C-O 3.58Å; L97-R103 VanDerWaalsContact CB-O 3.26Å; L97-R103 WeakPolarHBondContact CB-O 3.44Å; L98-R103 PolarHBondContact N-O 2.95Å; H101-R103 PolarHBondContact O-N 2.77Å; H101-R103 VanDerWaalsContact O-N 3.17Å
104	S	84.5	Confident	92	Very high	58 Å²	58	89.8 Å²	89.8	41%	0.406	42%	0.422	S	S	.	.			trans	-102.8	-5.1	179.3	54.9	0	0	0	0	114.3	T106	S104-T106 PolarHBondContact O-N 2.82Å; S104-T106 VanDerWaalsContact O-N 3.16Å
105	K	89	Confident	92.1	Very high	184 Å²	184	86 Å²	86	80%	0.8	41%	0.406	S	S	*	.			trans	-69.1	115.7	-174.3	-171.6	177.9	-176.9	176.9	0	111.1
106	T	89.8	Confident	92.3	Very high	53 Å²	53	85.8 Å²	85.8	33%	0.325	41%	0.412	S	S	.	.			trans	-56.3	122.8	174.3	-53.5	0	0	0	0	111.3	Y51 L93 S104	Y51-T106 HydrophobicContact CD1-CG2 4.02Å; Y51-T106 HydrophobicContact CE1-CG2 3.49Å; Y51-T106 VanDerWaalsContact CE1-CG2 3.49Å; L93-T106 HydrophobicContact CD2-CG2 3.87Å; S104-T106 PolarHBondContact O-N 2.82Å; S104-T106 VanDerWaalsContact O-N 3.16Å
107	P	91.4	Very high	92.4	Very high	46 Å²	46	86.3 Å²	86.3	30%	0.299	41%	0.414	S	S	.	.			trans	-73.7	160.5	177.7	32.5	-36.4	0	0	0	111	Y51 H109 L110	Y51-P107 WeakPolarHBondContact CE1-O 3.48Å; P107-H109 WeakPolarHBondContact CB-O 3.28Å; P107-H109 WeakPolarHBondContact CG-O 3.37Å; P107-H109 PolarHBondContact O-N 3.25Å; P107-L110 HydrophobicContact CG-CD2 3.87Å
108	R	93.4	Very high	92.6	Very high	177 Å²	177	86 Å²	86	67%	0.668	41%	0.412	S	S	*	.	S	Bend	trans	-66.7	-27	176.6	-73.6	-173.1	176.2	179.3	-1.5	113.1	K52 K53	K52-R108 CarbonylContact C-O 3.54Å; K52-R108 VanDerWaalsContact CA-O 3.23Å; K52-R108 WeakPolarHBondContact CA-O 3.41Å; K53-R108 PolarHBondContact N-O 3.28Å
109	H	94.8	Very high	92.7	Very high	115 Å²	115	83.3 Å²	83.3	53%	0.532	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-140.6	140.6	176	-62.4	-85	0	0	0	107.6	K52 P107	K52-H109 WeakPolarHBondContact CB-ND1 3.47Å; P107-H109 WeakPolarHBondContact CB-O 3.28Å; P107-H109 WeakPolarHBondContact CG-O 3.37Å; P107-H109 PolarHBondContact O-N 3.25Å
110	L	95.4	Very high	93.1	Very high	18 Å²	18	79.5 Å²	79.5	9%	0.094	39%	0.388	C	S	.	.			trans	-78.7	143.5	170.8	-51.3	-172.3	0	0	0	109.6	D50 Y51 F89 L93 P107 L114 A115 L118	D50-L110 WeakPolarHBondContact OD1-CB 3.41Å; D50-L110 WeakPolarHBondContact OD1-CD1 3.32Å; Y51-L110 HydrophobicContact CD1-CD2 4.33Å; Y51-L110 PolarHBondContact O-N 2.92Å; F89-L110 HydrophobicContact CZ-CD1 4.12Å; L93-L110 HydrophobicContact CD1-CD2 3.76Å; L93-L110 HydrophobicContact CD2-CD2 4.2Å; P107-L110 HydrophobicContact CG-CD2 3.87Å; L110-L114 HydrophobicContact CB-CD2 4.49Å; L110-L114 HydrophobicContact CD2-CD2 3.88Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; L110-A115 HydrophobicContact CB-CB 4.31Å; L110-A115 HydrophobicContact CD1-CB 4.45Å; L110-L118 HydrophobicContact CD1-CD1 3.48Å; L110-L118 VanDerWaalsContact CD1-CD1 3.48Å
111	D	94.3	Very high	93.4	Very high	62 Å²	62	75.9 Å²	75.9	33%	0.332	38%	0.375	S	S	.	.			trans	-72.4	157.3	164.6	69.2	81.2	0	0	0	110.4	R100 S113 L114 A115	R100-D111 IonicContact NH1-OD1 3.94Å; D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 VanDerWaalsContact O-N 3.16Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.23Å; D111-S113 WeakPolarHBondContact OD1-CB 3.23Å; D111-S113 PolarHBondContact OD1-N 3.27Å; D111-L114 PolarHBondContact O-N 3.21Å; D111-L114 VanDerWaalsContact O-N 3.15Å; D111-L114 PolarHBondContact OD1-N 2.85Å; D111-L114 WeakPolarHBondContact OD2-CB 3.48Å; D111-A115 PolarHBondContact O-N 3.07Å
112	P	95.9	Very high	93.9	Very high	114 Å²	114	71.8 Å²	71.8	74%	0.74	36%	0.358	S	S	*	.	H	α-helix	trans	-57.8	-30.7	-177.6	-27.6	35.7	0	0	0	114.8	N116	P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.37Å; P112-N116 PolarHBondContact O-N 3.16Å
113	S	95.2	Very high	94.4	Very high	65 Å²	65	67.4 Å²	67.4	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-72.5	-40.8	179.3	169.6	0	0	0	0	111.3	R100 D111 Y117	R100-S113 PolarHBondContact NH1-OG 2.97Å; R100-S113 PolarHBondContact NH2-OG 2.93Å; D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 VanDerWaalsContact O-N 3.16Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.23Å; D111-S113 WeakPolarHBondContact OD1-CB 3.23Å; D111-S113 PolarHBondContact OD1-N 3.27Å; S113-Y117 WeakPolarHBondContact O-CB 3.36Å; S113-Y117 PolarHBondContact O-N 2.88Å
114	L	95.3	Very high	94.9	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-67.7	-43.8	175.4	-175.9	57	0	0	0	111.6	L93 E96 L97 L110 D111 Y117 L118	L93-L114 HydrophobicContact CD1-CD1 4.13Å; L93-L114 HydrophobicContact CD1-CD2 3.68Å; L93-L114 HydrophobicContact CD1-CG 4.02Å; E96-L114 HydrophobicContact CB-CD1 3.92Å; E96-L114 HydrophobicContact CG-CD1 3.49Å; E96-L114 VanDerWaalsContact CG-CD1 3.49Å; L97-L114 HydrophobicContact CD2-CD2 3.71Å; L97-L114 HydrophobicContact CG-CD2 4.35Å; L110-L114 HydrophobicContact CB-CD2 4.49Å; L110-L114 HydrophobicContact CD2-CD2 3.88Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; D111-L114 PolarHBondContact O-N 3.21Å; D111-L114 VanDerWaalsContact O-N 3.15Å; D111-L114 PolarHBondContact OD1-N 2.85Å; D111-L114 WeakPolarHBondContact OD2-CB 3.48Å; L114-Y117 WeakPolarHBondContact O-CB 3.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.45Å
115	A	96.9	Very high	95.5	Very high	12 Å²	12	57.7 Å²	57.7	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-46.4	174.2	0	0	0	0	0	111.6	D50 L110 D111 Y117 L118 V119	D50-A115 HydrophobicContact CB-CB 4.47Å; L110-A115 HydrophobicContact CB-CB 4.31Å; L110-A115 HydrophobicContact CD1-CB 4.45Å; D111-A115 PolarHBondContact O-N 3.07Å; A115-Y117 VanDerWaalsContact C-N 3.34Å; A115-Y117 PolarHBondContact O-N 3.47Å; A115-L118 PolarHBondContact O-N 3.35Å; A115-V119 WeakPolarHBondContact O-CG2 3.4Å; A115-V119 PolarHBondContact O-N 2.9Å
116	N	97	Very high	95.8	Very high	93 Å²	93	52.8 Å²	52.8	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-42.7	175.7	-179.3	50.4	0	0	0	111.9	P112 L118 V119 Q120	P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.37Å; P112-N116 PolarHBondContact O-N 3.16Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 2.9Å; N116-V119 PolarHBondContact O-N 3.46Å; N116-Q120 WeakPolarHBondContact O-CG 3.31Å; N116-Q120 PolarHBondContact O-N 2.81Å
117	Y	97.1	Very high	96.2	Very high	23 Å²	23	51.3 Å²	51.3	9%	0.09	26%	0.261	C	S	.	.	H	α-helix	trans	-56.4	-46.9	175.1	172.4	-88.5	0	0	0	111.9	E96 S113 L114 A115 V119 Q120 K121 L153	E96-Y117 HydrophobicContact CB-CD1 3.84Å; E96-Y117 HydrophobicContact CB-CE1 3.6Å; E96-Y117 HydrophobicContact CG-CD1 3.58Å; E96-Y117 HydrophobicContact CG-CD2 4.35Å; E96-Y117 HydrophobicContact CG-CE1 3.74Å; E96-Y117 HydrophobicContact CG-CE2 4.46Å; E96-Y117 HydrophobicContact CG-CG 3.92Å; E96-Y117 WeakPolarHBondContact OE2-CE2 3.31Å; E96-Y117 VanDerWaalsContact OE2-CZ 3.29Å; S113-Y117 WeakPolarHBondContact O-CB 3.36Å; S113-Y117 PolarHBondContact O-N 2.88Å; L114-Y117 WeakPolarHBondContact O-CB 3.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; A115-Y117 VanDerWaalsContact C-N 3.34Å; A115-Y117 PolarHBondContact O-N 3.47Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 3.5Å; Y117-Q120 PolarHBondContact O-N 2.82Å; Y117-Q120 VanDerWaalsContact O-N 3.17Å; Y117-K121 HydrophobicContact CE1-CB 4.26Å; Y117-K121 HydrophobicContact CE1-CG 4.48Å; Y117-K121 WeakPolarHBondContact O-CB 3.26Å; Y117-K121 PolarHBondContact O-N 3.17Å; Y117-L153 HydrophobicContact CD2-CD1 3.99Å; Y117-L153 HydrophobicContact CD2-CD2 4.36Å; Y117-L153 HydrophobicContact CD2-CG 4.39Å; Y117-L153 HydrophobicContact CE2-CD1 4.14Å; Y117-L153 HydrophobicContact CE2-CD2 3.96Å; Y117-L153 HydrophobicContact CE2-CG 4.05Å
118	L	97.3	Very high	96.5	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-38.3	-179.9	-66	172.6	0	0	0	112.2	F89 D92 L93 L110 L114 A115 N116 K121 A122	F89-L118 HydrophobicContact CD2-CD1 4.33Å; F89-L118 HydrophobicContact CE1-CD1 4.32Å; F89-L118 HydrophobicContact CE2-CB 4.13Å; F89-L118 HydrophobicContact CE2-CD1 3.57Å; F89-L118 HydrophobicContact CE2-CG 4.37Å; F89-L118 HydrophobicContact CZ-CD1 3.56Å; D92-L118 HydrophobicContact CB-CD2 3.85Å; L93-L118 HydrophobicContact CB-CD1 4.28Å; L93-L118 HydrophobicContact CB-CD2 4.14Å; L93-L118 HydrophobicContact CD1-CD1 4.16Å; L110-L118 HydrophobicContact CD1-CD1 3.48Å; L110-L118 VanDerWaalsContact CD1-CD1 3.48Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.45Å; A115-L118 PolarHBondContact O-N 3.35Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 2.9Å; L118-K121 PolarHBondContact O-N 2.96Å; L118-A122 WeakPolarHBondContact O-CB 3.29Å; L118-A122 PolarHBondContact O-N 3.12Å
119	V	97.5	Very high	96.7	Very high	22 Å²	22	46.7 Å²	46.7	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-48.1	172.1	172.4	0	0	0	0	110.9	Y47 C49 A115 N116 Y117 K121 A122 K123	Y47-V119 HydrophobicContact CE2-CG1 4.06Å; C49-V119 HydrophobicContact CB-CG2 3.76Å; A115-V119 WeakPolarHBondContact O-CG2 3.4Å; A115-V119 PolarHBondContact O-N 2.9Å; N116-V119 PolarHBondContact O-N 3.46Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 3.5Å; V119-K121 PolarHBondContact O-N 3.42Å; V119-A122 PolarHBondContact O-N 3.35Å; V119-K123 HydrophobicContact CG1-CD 4.18Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.42Å
120	Q	97.7	Very high	96.8	Very high	82 Å²	82	48.5 Å²	48.5	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-42.8	178.1	-64	-55.9	-30.3	0	0	111.5	N116 Y117 A122 K123 Q124 L153	N116-Q120 WeakPolarHBondContact O-CG 3.31Å; N116-Q120 PolarHBondContact O-N 2.81Å; Y117-Q120 PolarHBondContact O-N 2.82Å; Y117-Q120 VanDerWaalsContact O-N 3.17Å; Q120-A122 VanDerWaalsContact C-N 3.35Å; Q120-A122 PolarHBondContact O-N 3.19Å; Q120-K123 PolarHBondContact O-N 3.27Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 PolarHBondContact O-N 2.97Å; Q120-L153 HydrophobicContact CB-CD1 3.88Å; Q120-L153 HydrophobicContact CB-CD2 4.2Å
121	K	97.9	Very high	97	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-41.7	177.3	-168	70.7	-172.3	161.7	0	111.7	D92 Y117 L118 V119 Q124 R125 N149 D152 L153	D92-K121 HydrophobicContact CB-CG 4.13Å; Y117-K121 HydrophobicContact CE1-CB 4.26Å; Y117-K121 HydrophobicContact CE1-CG 4.48Å; Y117-K121 WeakPolarHBondContact O-CB 3.26Å; Y117-K121 PolarHBondContact O-N 3.17Å; L118-K121 PolarHBondContact O-N 2.96Å; V119-K121 PolarHBondContact O-N 3.42Å; K121-Q124 VanDerWaalsContact CD-OE1 3.29Å; K121-Q124 PolarHBondContact O-N 3.27Å; K121-R125 WeakPolarHBondContact O-CB 3.39Å; K121-R125 PolarHBondContact O-N 3.46Å; K121-N149 PolarHBondContact NZ-O 2.85Å; K121-D152 PolarHBondContact NZ-O 2.97Å; K121-L153 HydrophobicContact CB-CD2 3.94Å; K121-L153 HydrophobicContact CD-CD2 3.74Å; K121-L153 HydrophobicContact CG-CD2 4.49Å
122	A	97.5	Very high	97.2	Very high	17 Å²	17	48 Å²	48	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-43.4	175.6	0	0	0	0	0	112.4	Y47 L118 V119 Q120 R125 R126	Y47-A122 HydrophobicContact CD1-CB 4.45Å; Y47-A122 HydrophobicContact CD2-CB 4.01Å; Y47-A122 HydrophobicContact CG-CB 3.77Å; L118-A122 WeakPolarHBondContact O-CB 3.29Å; L118-A122 PolarHBondContact O-N 3.12Å; V119-A122 PolarHBondContact O-N 3.35Å; Q120-A122 VanDerWaalsContact C-N 3.35Å; Q120-A122 PolarHBondContact O-N 3.19Å; A122-R125 PolarHBondContact O-N 2.97Å; A122-R126 WeakPolarHBondContact O-CG 3.43Å; A122-R126 PolarHBondContact O-N 3.11Å; A122-R126 VanDerWaalsContact O-N 3.16Å
123	K	97.2	Very high	97.3	Very high	77 Å²	77	49 Å²	49	34%	0.335	23%	0.23	S	C	.	.	H	α-helix	trans	-62.1	-46.1	174.8	-73.2	179.2	179.5	-178.7	0	111.3	Y47 D69 V119 Q120 R126 A127	Y47-K123 HydrophobicContact CE1-CG 4.21Å; Y47-K123 WeakPolarHBondContact OH-CE 3.22Å; D69-K123 IonicContact OD2-NZ 3.02Å; V119-K123 HydrophobicContact CG1-CD 4.18Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.42Å; Q120-K123 PolarHBondContact O-N 3.27Å; K123-R126 PolarHBondContact O-N 2.86Å; K123-A127 PolarHBondContact O-N 3.47Å
124	Q	98	Very high	97.4	Very high	11 Å²	11	51 Å²	51	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-57.3	-51.9	175.1	-179.4	-147.3	28.7	0	0	111.1	Q120 K121 R126 A127 L128 N149 D152 L153 D154	Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 PolarHBondContact O-N 2.97Å; K121-Q124 VanDerWaalsContact CD-OE1 3.29Å; K121-Q124 PolarHBondContact O-N 3.27Å; Q124-R126 PolarHBondContact O-N 2.95Å; Q124-A127 WeakPolarHBondContact O-CA 3.3Å; Q124-A127 WeakPolarHBondContact O-CB 3.44Å; Q124-A127 PolarHBondContact O-N 3.34Å; Q124-L128 HydrophobicContact CG-CD1 4.02Å; Q124-L128 HydrophobicContact CG-CG 4.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.39Å; Q124-L128 PolarHBondContact O-N 3.46Å; Q124-N149 VanDerWaalsContact NE2-CG 3.28Å; Q124-N149 PolarHBondContact NE2-ND2 3.22Å; Q124-D152 PolarHBondContact NE2-O 3.09Å; Q124-D152 PolarHBondContact OE1-O 3.38Å; Q124-L153 VanDerWaalsContact NE2-CA 3.34Å; Q124-D154 PolarHBondContact NE2-O 3.43Å
125	R	97.1	Very high	97.5	Very high	34 Å²	34	51.1 Å²	51.1	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-58.4	-35.2	-178.9	-168.2	176	-66.3	-82.9	-0.2	112.3	D92 K121 A122 R129 E150	D92-R125 IonicContact OD1-CZ 2.61Å; D92-R125 IonicContact OD1-NH2 2.7Å; D92-R125 PolarHBondContact OD1-NH2 3.19Å; D92-R125 IonicContact OD2-NE 3.37Å; D92-R125 IonicContact OD2-NH2 3.2Å; K121-R125 WeakPolarHBondContact O-CB 3.39Å; K121-R125 PolarHBondContact O-N 3.46Å; A122-R125 PolarHBondContact O-N 2.97Å; R125-R129 VanDerWaalsContact O-CG 3.31Å; R125-R129 WeakPolarHBondContact O-CG 3.26Å; R125-R129 PolarHBondContact O-N 2.99Å; R125-R129 VanDerWaalsContact O-N 3.08Å; R125-E150 IonicContact CZ-OE1 3.17Å; R125-E150 IonicContact CZ-OE2 2.98Å; R125-E150 IonicContact NH1-OE1 2.8Å; R125-E150 PolarHBondContact NH1-OE1 3.01Å; R125-E150 IonicContact NH2-OE1 3.74Å; R125-E150 PolarHBondContact NH2-OE1 3.01Å; R125-E150 IonicContact NH2-OE2 2.68Å; R125-E150 PolarHBondContact NH2-OE2 3.3Å
126	R	96	Very high	97.6	Very high	81 Å²	81	52.4 Å²	52.4	31%	0.306	24%	0.238	S	C	.	.	H	α-helix	trans	-71.1	-39.5	173.5	-70.3	177.5	63.9	-141.1	6.3	112.7	E46 A122 K123 Q124 R129 R130	E46-R126 VanDerWaalsContact CD-NH1 3.32Å; E46-R126 IonicContact OE1-CZ 3.99Å; E46-R126 IonicContact OE1-NH1 3.61Å; E46-R126 PolarHBondContact OE1-NH1 2.97Å; E46-R126 IonicContact OE1-NH2 3.9Å; E46-R126 PolarHBondContact OE1-NH2 3.17Å; A122-R126 WeakPolarHBondContact O-CG 3.43Å; A122-R126 PolarHBondContact O-N 3.11Å; A122-R126 VanDerWaalsContact O-N 3.16Å; K123-R126 PolarHBondContact O-N 2.86Å; Q124-R126 PolarHBondContact O-N 2.95Å; R126-R129 PolarHBondContact O-N 2.96Å; R126-R130 PolarHBondContact O-N 3.39Å; R126-R130 VanDerWaalsContact O-N 3.11Å
127	A	97.6	Very high	97.6	Very high	21 Å²	21	52.1 Å²	52.1	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-45.3	173.6	0	0	0	0	0	111.6	K123 Q124 R129 R130 W131 P156	K123-A127 PolarHBondContact O-N 3.47Å; Q124-A127 WeakPolarHBondContact O-CA 3.3Å; Q124-A127 WeakPolarHBondContact O-CB 3.44Å; Q124-A127 PolarHBondContact O-N 3.34Å; A127-R129 PolarHBondContact O-N 3.03Å; A127-R130 PolarHBondContact O-N 3.4Å; A127-W131 PolarHBondContact O-N 2.69Å; A127-P156 HydrophobicContact CB-CG 4.16Å
128	L	98.2	Very high	97.6	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-40.2	176.7	-64.4	173.9	0	0	0	112.4	Q124 R130 W131 E132 V147 N149 P156 W256	Q124-L128 HydrophobicContact CG-CD1 4.02Å; Q124-L128 HydrophobicContact CG-CG 4.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.39Å; Q124-L128 PolarHBondContact O-N 3.46Å; L128-R130 PolarHBondContact O-N 2.88Å; L128-W131 HydrophobicContact CD2-CE3 4.1Å; L128-W131 HydrophobicContact CD2-CZ3 4.47Å; L128-W131 PolarHBondContact O-N 2.92Å; L128-E132 WeakPolarHBondContact O-CB 3.44Å; L128-E132 PolarHBondContact O-N 2.86Å; L128-V147 HydrophobicContact CB-CG1 4.21Å; L128-V147 HydrophobicContact CD2-CG1 3.85Å; L128-V147 HydrophobicContact CG-CG1 4.48Å; L128-N149 HydrophobicContact CD1-CB 3.6Å; L128-P156 HydrophobicContact CD2-CG 4.12Å; L128-W256 HydrophobicContact CD1-CH2 4.41Å; L128-W256 HydrophobicContact CD2-CH2 3.67Å; L128-W256 HydrophobicContact CD2-CZ2 4.14Å
129	R	97.4	Very high	97.6	Very high	118 Å²	118	58.4 Å²	58.4	45%	0.445	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-38.7	174.3	-76.5	176.4	-173.9	173.2	5.8	113.3	R125 R126 A127 Q133	R125-R129 VanDerWaalsContact O-CG 3.31Å; R125-R129 WeakPolarHBondContact O-CG 3.26Å; R125-R129 PolarHBondContact O-N 2.99Å; R125-R129 VanDerWaalsContact O-N 3.08Å; R126-R129 PolarHBondContact O-N 2.96Å; A127-R129 PolarHBondContact O-N 3.03Å; R129-Q133 VanDerWaalsContact O-CG 3.29Å; R129-Q133 WeakPolarHBondContact O-CG 3.25Å; R129-Q133 PolarHBondContact O-N 2.8Å; R129-Q133 VanDerWaalsContact O-N 3.12Å
130	R	97.2	Very high	97.5	Very high	153 Å²	153	61.9 Å²	61.9	58%	0.577	30%	0.3	S	S	*	.	H	α-helix	trans	-65.1	-44.4	174.8	-73	-173.7	-64.7	-176.4	2	110.7	R126 A127 L128 E132 Q133 E134	R126-R130 PolarHBondContact O-N 3.39Å; R126-R130 VanDerWaalsContact O-N 3.11Å; A127-R130 PolarHBondContact O-N 3.4Å; L128-R130 PolarHBondContact O-N 2.88Å; R130-E132 PolarHBondContact O-N 2.77Å; R130-Q133 WeakPolarHBondContact O-CB 3.45Å; R130-Q133 PolarHBondContact O-N 2.87Å; R130-E134 WeakPolarHBondContact O-CG 3.42Å; R130-E134 PolarHBondContact O-N 2.7Å
131	W	98.1	Very high	97.5	Very high	15 Å²	15	59 Å²	59	6%	0.057	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-43.5	177.1	-177.7	41.5	0	0	0	112.3	A127 L128 Q133 E134 L135 V147 P156 P157 I247 F321	A127-W131 PolarHBondContact O-N 2.69Å; L128-W131 HydrophobicContact CD2-CE3 4.1Å; L128-W131 HydrophobicContact CD2-CZ3 4.47Å; L128-W131 PolarHBondContact O-N 2.92Å; W131-Q133 VanDerWaalsContact C-N 3.3Å; W131-Q133 PolarHBondContact O-N 3.33Å; W131-E134 WeakPolarHBondContact O-CB 3.4Å; W131-E134 PolarHBondContact O-N 2.69Å; W131-E134 VanDerWaalsContact O-N 3.12Å; W131-L135 HydrophobicContact CD2-CD1 4.11Å; W131-L135 HydrophobicContact CG-CD1 4.42Å; W131-L135 HydrophobicContact CZ2-CD1 4Å; W131-L135 WeakPolarHBondContact O-CG 3.35Å; W131-L135 PolarHBondContact O-N 2.88Å; W131-V147 HydrophobicContact CD2-CG2 4.42Å; W131-V147 HydrophobicContact CE3-CB 4.36Å; W131-V147 HydrophobicContact CE3-CG1 3.61Å; W131-V147 HydrophobicContact CE3-CG2 3.93Å; W131-V147 HydrophobicContact CZ3-CG1 3.55Å; W131-V147 HydrophobicContact CZ3-CG2 4.1Å; W131-P156 HydrophobicContact CB-CB 3.85Å; W131-P156 HydrophobicContact CB-CG 3.57Å; W131-P156 HydrophobicContact CD2-CB 3.78Å; W131-P156 HydrophobicContact CD2-CG 4.23Å; W131-P156 HydrophobicContact CE3-CB 3.9Å; W131-P156 HydrophobicContact CE3-CG 4.14Å; W131-P156 HydrophobicContact CG-CB 3.74Å; W131-P156 HydrophobicContact CG-CG 4.01Å; W131-P157 VanDerWaalsContact CH2-CD 3.46Å; W131-P157 HydrophobicContact CH2-CG 3.99Å; W131-P157 VanDerWaalsContact CZ2-CD 3.46Å; W131-P157 HydrophobicContact CZ2-CG 3.65Å; W131-I247 HydrophobicContact CH2-CD1 4.06Å; W131-I247 HydrophobicContact CH2-CG2 4.08Å; W131-I247 HydrophobicContact CZ2-CD1 4.27Å; W131-I247 HydrophobicContact CZ3-CG2 4.4Å; W131-F321 AromaticContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE2 4.35Å; W131-F321 AromaticContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CZ2-CE1 4.26Å; W131-F321 HydrophobicContact CZ2-CE2 4.14Å; W131-F321 AromaticContact CZ2-CZ 3.58Å; W131-F321 HydrophobicContact CZ2-CZ 3.58Å
132	E	98.6	Very high	97.5	Very high	56 Å²	56	64.5 Å²	64.5	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-55.4	-44.4	172.7	-175.9	-178.4	105.3	0	0	112.1	L128 R130 L135 N136 I145 T146 V147	L128-E132 WeakPolarHBondContact O-CB 3.44Å; L128-E132 PolarHBondContact O-N 2.86Å; R130-E132 PolarHBondContact O-N 2.77Å; E132-L135 PolarHBondContact O-N 3.36Å; E132-N136 PolarHBondContact O-N 2.95Å; E132-N136 PolarHBondContact O-ND2 3.44Å; E132-I145 WeakPolarHBondContact CG-O 3.38Å; E132-T146 WeakPolarHBondContact OE2-CA 3.31Å; E132-V147 HydrophobicContact CB-CB 4.25Å; E132-V147 HydrophobicContact CB-CG2 3.96Å; E132-V147 HydrophobicContact CG-CG2 4.4Å; E132-V147 PolarHBondContact OE2-N 3.49Å
133	Q	98	Very high	97.5	Very high	133 Å²	133	63.7 Å²	63.7	62%	0.621	31%	0.309	S	S	*	.	H	α-helix	trans	-63	-42.5	176.5	-71.3	168.4	-9.8	0	0	111.7	R129 R130 W131 N136 A137	R129-Q133 VanDerWaalsContact O-CG 3.29Å; R129-Q133 WeakPolarHBondContact O-CG 3.25Å; R129-Q133 PolarHBondContact O-N 2.8Å; R129-Q133 VanDerWaalsContact O-N 3.12Å; R130-Q133 WeakPolarHBondContact O-CB 3.45Å; R130-Q133 PolarHBondContact O-N 2.87Å; W131-Q133 VanDerWaalsContact C-N 3.3Å; W131-Q133 PolarHBondContact O-N 3.33Å; Q133-N136 PolarHBondContact O-N 2.89Å; Q133-A137 VanDerWaalsContact O-CB 3.3Å; Q133-A137 WeakPolarHBondContact O-CB 3.44Å; Q133-A137 PolarHBondContact O-N 3.43Å
134	E	97.2	Very high	97.5	Very high	109 Å²	109	66.8 Å²	66.8	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-43.2	176.7	-70.8	168.5	-162.6	0	0	112.1	R130 W131 A137 K138	R130-E134 WeakPolarHBondContact O-CG 3.42Å; R130-E134 PolarHBondContact O-N 2.7Å; W131-E134 WeakPolarHBondContact O-CB 3.4Å; W131-E134 PolarHBondContact O-N 2.69Å; W131-E134 VanDerWaalsContact O-N 3.12Å; E134-A137 PolarHBondContact O-N 2.99Å; E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 3Å; E134-K138 VanDerWaalsContact O-N 3.09Å
135	L	98.2	Very high	97.6	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-49.2	175.8	-67.8	172.8	0	0	0	111.1	W131 E132 A137 K138 R139 I145 V147 F160 Y162 I247	W131-L135 HydrophobicContact CD2-CD1 4.11Å; W131-L135 HydrophobicContact CG-CD1 4.42Å; W131-L135 HydrophobicContact CZ2-CD1 4Å; W131-L135 WeakPolarHBondContact O-CG 3.35Å; W131-L135 PolarHBondContact O-N 2.88Å; E132-L135 PolarHBondContact O-N 3.36Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.06Å; L135-K138 PolarHBondContact O-N 2.68Å; L135-R139 PolarHBondContact O-N 2.99Å; L135-I145 HydrophobicContact CB-CB 4.5Å; L135-I145 HydrophobicContact CB-CG2 4.43Å; L135-I145 HydrophobicContact CD1-CG2 3.87Å; L135-V147 HydrophobicContact CD1-CG2 3.78Å; L135-F160 HydrophobicContact CD2-CE1 4.32Å; L135-Y162 HydrophobicContact CD2-CD2 3.48Å; L135-Y162 VanDerWaalsContact CD2-CD2 3.48Å; L135-Y162 HydrophobicContact CD2-CE2 4.27Å; L135-Y162 HydrophobicContact CD2-CG 3.92Å; L135-I247 HydrophobicContact CD1-CD1 3.83Å
136	N	98.4	Very high	97.6	Very high	39 Å²	39	66 Å²	66	21%	0.209	32%	0.318	C	S	.	.	H	α-helix	trans	-70.7	-22.9	-179.4	-74.3	-76.9	0	0	0	113.8	E132 Q133 R139 I145	E132-N136 PolarHBondContact O-N 2.95Å; E132-N136 PolarHBondContact O-ND2 3.44Å; Q133-N136 PolarHBondContact O-N 2.89Å; N136-R139 PolarHBondContact O-NE 2.74Å; N136-R139 PolarHBondContact OD1-NE 2.86Å; N136-I145 PolarHBondContact ND2-O 2.81Å; N136-I145 PolarHBondContact OD1-N 2.98Å
137	A	97.7	Very high	97.8	Very high	86 Å²	86	62.8 Å²	62.8	71%	0.711	31%	0.307	S	S	*	.	H	α-helix	trans	-77.5	-27.7	172.4	0	0	0	0	0	112.5	Q133 E134 L135	Q133-A137 VanDerWaalsContact O-CB 3.3Å; Q133-A137 WeakPolarHBondContact O-CB 3.44Å; Q133-A137 PolarHBondContact O-N 3.43Å; E134-A137 PolarHBondContact O-N 2.99Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.06Å
138	K	97.1	Very high	97.7	Very high	101 Å²	101	65.5 Å²	65.5	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-89.4	-28.3	-179.7	-73.6	-179.6	178.3	-177.2	0	114.2	E134 L135 Y162 N164	E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 3Å; E134-K138 VanDerWaalsContact O-N 3.09Å; L135-K138 PolarHBondContact O-N 2.68Å; K138-Y162 HydrophobicContact CB-CD1 4.11Å; K138-N164 PolarHBondContact O-ND2 3.39Å
139	R	96.9	Very high	97.7	Very high	58 Å²	58	65.3 Å²	65.3	22%	0.219	32%	0.315	C	S	.	.			trans	-62.8	141.8	-178.1	71.8	-173.7	173.2	120.5	5.8	112.4	L135 N136 H141 L142 G143 Y162 N164	L135-R139 PolarHBondContact O-N 2.99Å; N136-R139 PolarHBondContact O-NE 2.74Å; N136-R139 PolarHBondContact OD1-NE 2.86Å; R139-H141 PolarHBondContact NH1-O 3.04Å; R139-L142 PolarHBondContact NH1-O 2.91Å; R139-G143 PolarHBondContact NH1-O 3.01Å; R139-Y162 HydrophobicContact CB-CE1 4.11Å; R139-N164 VanDerWaalsContact CA-OD1 3.31Å; R139-N164 WeakPolarHBondContact CA-OD1 3.4Å
140	S	96.4	Very high	97.6	Very high	94 Å²	94	62.2 Å²	62.2	66%	0.657	31%	0.306	S	S	*	.			trans	-99.1	-8.4	173.7	61.9	0	0	0	0	113.8	N164	S140-N164 PolarHBondContact N-OD1 2.92Å; S140-N164 WeakPolarHBondContact OG-CB 3.2Å; S140-N164 VanDerWaalsContact OG-CG 3.28Å; S140-N164 PolarHBondContact OG-OD1 2.7Å
141	H	97.2	Very high	97.5	Very high	22 Å²	22	57.4 Å²	57.4	10%	0.102	29%	0.294	C	S	.	.	S	Bend	trans	-98.4	164.7	-176.5	60.3	72.8	0	0	0	113.1	R139 G143 Y162 I241	R139-H141 PolarHBondContact NH1-O 3.04Å; H141-G143 PolarHBondContact CE1-O 3.33Å; H141-G143 PolarHBondContact ND1-O 3.36Å; H141-Y162 PolarHBondContact NE2-OH 2.84Å; H141-I241 HydrophobicContact CB-CB 4.18Å; H141-I241 WeakPolarHBondContact CB-O 3.45Å
142	L	96.9	Very high	97.4	Very high	118 Å²	118	58.4 Å²	58.4	62%	0.618	30%	0.3	S	S	*	.	S	Bend	trans	-73.9	-38.4	-172.7	-64.3	-177.4	0	0	0	113.9	R139 I241	R139-L142 PolarHBondContact NH1-O 2.91Å; L142-I241 PolarHBondContact N-O 3.06Å
143	G	97.6	Very high	97.3	Very high	1 Å²	1	59 Å²	59	1%	0.01	31%	0.305	C	S	.	.	S	Bend	trans	-69.8	125.7	-174.5	0	0	0	0	0	113.7	R139 H141 I241 Y243	R139-G143 PolarHBondContact NH1-O 3.01Å; H141-G143 PolarHBondContact CE1-O 3.33Å; H141-G143 PolarHBondContact ND1-O 3.36Å; G143-I241 PolarHBondContact N-O 2.77Å; G143-Y243 CarbonylContact C-O 3.58Å; G143-Y243 WeakPolarHBondContact CA-O 3.42Å
144	R	98.3	Very high	97.2	Very high	142 Å²	142	56.3 Å²	56.3	54%	0.536	30%	0.295	S	S	.	.			trans	-70.3	152.1	-175.4	-64.4	-177.6	-66.2	-178.1	1.7	111.5	D244 L245	R144-D244 VanDerWaalsContact CB-OD1 3.25Å; R144-D244 WeakPolarHBondContact CB-OD1 3.34Å; R144-D244 WeakPolarHBondContact CG-OD1 3.43Å; R144-D244 IonicContact CZ-OD2 3.27Å; R144-D244 PolarHBondContact N-OD1 3.34Å; R144-D244 IonicContact NE-OD1 3.34Å; R144-D244 IonicContact NE-OD2 2.72Å; R144-D244 PolarHBondContact NE-OD2 3.07Å; R144-D244 IonicContact NH2-OD2 2.67Å; R144-D244 PolarHBondContact NH2-OD2 3.49Å; R144-D244 CarbonylContact O-C 3.45Å; R144-D244 WeakPolarHBondContact O-CA 3.49Å; R144-L245 PolarHBondContact O-N 2.67Å
145	I	98.7	Very high	97.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.8	174.7	-56.8	175.3	0	0	0	108.2	E132 L135 N136 Y162 L245 I247 I318	E132-I145 WeakPolarHBondContact CG-O 3.38Å; L135-I145 HydrophobicContact CB-CB 4.5Å; L135-I145 HydrophobicContact CB-CG2 4.43Å; L135-I145 HydrophobicContact CD1-CG2 3.87Å; N136-I145 PolarHBondContact ND2-O 2.81Å; N136-I145 PolarHBondContact OD1-N 2.98Å; I145-Y162 HydrophobicContact CD1-CE2 3.69Å; I145-Y162 WeakPolarHBondContact CD1-OH 3.18Å; I145-L245 CarbonylContact C-O 3.57Å; I145-L245 WeakPolarHBondContact CA-O 3.16Å; I145-I247 HydrophobicContact CG2-CD1 3.88Å; I145-I247 HydrophobicContact CG2-CG1 4.17Å; I145-I318 HydrophobicContact CD1-CB 4.41Å; I145-I318 HydrophobicContact CD1-CD1 4.34Å; I145-I318 HydrophobicContact CG1-CD1 4.08Å; I145-I318 HydrophobicContact CG2-CD1 3.87Å
146	T	98.6	Very high	97.1	Very high	28 Å²	28	54.2 Å²	54.2	17%	0.172	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	156.8	172.4	61	0	0	0	0	110.9	E132 L245 C246 I247 L261	E132-T146 WeakPolarHBondContact OE2-CA 3.31Å; T146-L245 PolarHBondContact N-O 3.46Å; T146-L245 PolarHBondContact OG1-O 3.42Å; T146-C246 CarbonylContact O-C 3.57Å; T146-C246 WeakPolarHBondContact O-CA 3.28Å; T146-C246 WeakPolarHBondContact OG1-CA 3.34Å; T146-C246 WeakPolarHBondContact OG1-CB 3.35Å; T146-C246 PolarHBondContact OG1-SG 2.82Å; T146-C246 VanDerWaalsContact OG1-SG 3.36Å; T146-I247 PolarHBondContact O-N 3.02Å; T146-L261 HydrophobicContact CG2-CD1 4.16Å
147	V	98.7	Very high	96.9	Very high	12 Å²	12	54.3 Å²	54.3	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.7	178.5	-176.2	0	0	0	0	111	L128 W131 E132 L135 I247 W256	L128-V147 HydrophobicContact CB-CG1 4.21Å; L128-V147 HydrophobicContact CD2-CG1 3.85Å; L128-V147 HydrophobicContact CG-CG1 4.48Å; W131-V147 HydrophobicContact CD2-CG2 4.42Å; W131-V147 HydrophobicContact CE3-CB 4.36Å; W131-V147 HydrophobicContact CE3-CG1 3.61Å; W131-V147 HydrophobicContact CE3-CG2 3.93Å; W131-V147 HydrophobicContact CZ3-CG1 3.55Å; W131-V147 HydrophobicContact CZ3-CG2 4.1Å; E132-V147 HydrophobicContact CB-CB 4.25Å; E132-V147 HydrophobicContact CB-CG2 3.96Å; E132-V147 HydrophobicContact CG-CG2 4.4Å; E132-V147 PolarHBondContact OE2-N 3.49Å; L135-V147 HydrophobicContact CD1-CG2 3.78Å; V147-I247 WeakPolarHBondContact CA-O 3.43Å; V147-I247 HydrophobicContact CG2-CB 4.46Å; V147-W256 HydrophobicContact CG1-CH2 4.36Å; V147-W256 HydrophobicContact CG1-CZ3 4.2Å
148	E	97.6	Very high	96.4	Very high	79 Å²	79	62.4 Å²	62.4	37%	0.369	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.8	-178.9	-67.2	-173.3	-169.4	0	0	112.9	I247 F248 R249 R259	E148-I247 PolarHBondContact N-O 3.5Å; E148-F248 CarbonylContact O-C 2.99Å; E148-F248 VanDerWaalsContact O-CA 3.22Å; E148-F248 WeakPolarHBondContact O-CA 3.45Å; E148-R249 PolarHBondContact O-N 2.82Å; E148-R259 IonicContact OE1-NH2 2.77Å; E148-R259 IonicContact OE2-CZ 3.7Å; E148-R259 IonicContact OE2-NH2 3.98Å; E148-R259 PolarHBondContact OE2-NH2 2.78Å
149	N	97.9	Very high	96	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	31%	0.313	C	S	.	.			trans	-132.2	111.9	167	-172.6	-19	0	0	0	110.3	K121 Q124 L128 V151 D152 D154 R249 W256	K121-N149 PolarHBondContact NZ-O 2.85Å; Q124-N149 VanDerWaalsContact NE2-CG 3.28Å; Q124-N149 PolarHBondContact NE2-ND2 3.22Å; L128-N149 HydrophobicContact CD1-CB 3.6Å; N149-V151 PolarHBondContact OD1-N 3.19Å; N149-D152 PolarHBondContact ND2-OD1 2.88Å; N149-D152 PolarHBondContact OD1-N 3.12Å; N149-D152 VanDerWaalsContact OD1-N 3.1Å; N149-D152 PolarHBondContact OD1-O 3.36Å; N149-D152 PolarHBondContact OD1-OD1 3.28Å; N149-D154 PolarHBondContact ND2-O 2.77Å; N149-R249 HydrophobicContact CB-CB 3.94Å; N149-R249 VanDerWaalsContact CG-CB 3.41Å; N149-R249 WeakPolarHBondContact OD1-CB 3.48Å; N149-W256 HydrophobicContact CB-CH2 3.74Å; N149-W256 HydrophobicContact CB-CZ3 4.08Å
150	E	95.4	Very high	95.9	Very high	54 Å²	54	58.9 Å²	58.9	25%	0.252	31%	0.308	S	S	.	.			trans	-120	6.7	-179.5	-68.3	-53.8	173.4	0	0	112.7	R95 R125	R95-E150 IonicContact CZ-OE2 3.83Å; R95-E150 IonicContact NH1-OE1 3.67Å; R95-E150 IonicContact NH1-OE2 2.95Å; R95-E150 PolarHBondContact NH1-OE2 2.61Å; R125-E150 IonicContact CZ-OE1 3.17Å; R125-E150 IonicContact CZ-OE2 2.98Å; R125-E150 IonicContact NH1-OE1 2.8Å; R125-E150 PolarHBondContact NH1-OE1 3.01Å; R125-E150 IonicContact NH2-OE1 3.74Å; R125-E150 PolarHBondContact NH2-OE1 3.01Å; R125-E150 IonicContact NH2-OE2 2.68Å; R125-E150 PolarHBondContact NH2-OE2 3.3Å
151	V	94.9	Very high	95.9	Very high	52 Å²	52	56.3 Å²	56.3	32%	0.315	29%	0.288	S	S	.	.	S	Bend	trans	-102.6	-49.8	-173.4	177.6	0	0	0	0	111	N149 R249 D251	N149-V151 PolarHBondContact OD1-N 3.19Å; V151-R249 HydrophobicContact CB-CB 4.31Å; V151-R249 HydrophobicContact CB-CG 3.91Å; V151-R249 HydrophobicContact CG2-CB 4.26Å; V151-R249 HydrophobicContact CG2-CG 4.27Å; V151-R249 VanDerWaalsContact CG2-O 3.32Å; V151-R249 WeakPolarHBondContact CG2-O 3.45Å; V151-D251 HydrophobicContact CG1-CB 4.2Å; V151-D251 HydrophobicContact CG2-CB 3.95Å
152	D	95	Very high	95.9	Very high	35 Å²	35	55.8 Å²	55.8	19%	0.187	29%	0.285	C	S	.	.	S	Bend	trans	-139.9	-164.2	-173.7	65.2	28.2	0	0	0	111.8	K121 Q124 N149 D154 R249	K121-D152 PolarHBondContact NZ-O 2.97Å; Q124-D152 PolarHBondContact NE2-O 3.09Å; Q124-D152 PolarHBondContact OE1-O 3.38Å; N149-D152 PolarHBondContact ND2-OD1 2.88Å; N149-D152 PolarHBondContact OD1-N 3.12Å; N149-D152 VanDerWaalsContact OD1-N 3.1Å; N149-D152 PolarHBondContact OD1-O 3.36Å; N149-D152 PolarHBondContact OD1-OD1 3.28Å; D152-D154 WeakPolarHBondContact OD1-CB 3.46Å; D152-D154 PolarHBondContact OD1-N 3.38Å; D152-R249 IonicContact OD1-NE 2.67Å; D152-R249 IonicContact OD2-CZ 2.71Å; D152-R249 VanDerWaalsContact OD2-CZ 3.24Å; D152-R249 IonicContact OD2-NE 2.81Å; D152-R249 PolarHBondContact OD2-NE 3.05Å; D152-R249 IonicContact OD2-NH2 3.13Å; D152-R249 PolarHBondContact OD2-NH2 3.31Å
153	L	97	Very high	96	Very high	69 Å²	69	51.6 Å²	51.6	36%	0.361	26%	0.263	S	S	.	.			trans	-102.7	9.7	-178.9	-66.8	178.5	0	0	0	113.5	Y117 Q120 K121 Q124 G155	Y117-L153 HydrophobicContact CD2-CD1 3.99Å; Y117-L153 HydrophobicContact CD2-CD2 4.36Å; Y117-L153 HydrophobicContact CD2-CG 4.39Å; Y117-L153 HydrophobicContact CE2-CD1 4.14Å; Y117-L153 HydrophobicContact CE2-CD2 3.96Å; Y117-L153 HydrophobicContact CE2-CG 4.05Å; Q120-L153 HydrophobicContact CB-CD1 3.88Å; Q120-L153 HydrophobicContact CB-CD2 4.2Å; K121-L153 HydrophobicContact CB-CD2 3.94Å; K121-L153 HydrophobicContact CD-CD2 3.74Å; K121-L153 HydrophobicContact CG-CD2 4.49Å; Q124-L153 VanDerWaalsContact NE2-CA 3.34Å; L153-G155 PolarHBondContact O-N 3.1Å
154	D	96.6	Very high	95.9	Very high	77 Å²	77	53.7 Å²	53.7	41%	0.412	27%	0.274	S	S	.	.			trans	-66.3	128.7	179.7	-86.4	9	0	0	0	111.3	Q124 N149 D152 R249	Q124-D154 PolarHBondContact NE2-O 3.43Å; N149-D154 PolarHBondContact ND2-O 2.77Å; D152-D154 WeakPolarHBondContact OD1-CB 3.46Å; D152-D154 PolarHBondContact OD1-N 3.38Å; D154-R249 IonicContact OD2-CZ 3.87Å; D154-R249 IonicContact OD2-NH1 3.72Å; D154-R249 PolarHBondContact OD2-NH1 2.86Å; D154-R249 IonicContact OD2-NH2 3.84Å; D154-R249 PolarHBondContact OD2-NH2 2.86Å
155	G	96.9	Very high	95.8	Very high	28 Å²	28	53.8 Å²	53.8	29%	0.289	28%	0.281	S	S	.	.			trans	-91.6	-168.1	178.2	0	0	0	0	0	113	L153 W256	L153-G155 PolarHBondContact O-N 3.1Å; G155-W256 WeakPolarHBondContact O-CZ2 3.23Å
156	P	96.3	Very high	95.7	Very high	39 Å²	39	55.6 Å²	55.6	25%	0.253	29%	0.288	S	S	.	.	S	Bend	trans	-52.7	144.8	172.5	-25.6	35.1	0	0	0	112.4	A127 L128 W131 R158	A127-P156 HydrophobicContact CB-CG 4.16Å; L128-P156 HydrophobicContact CD2-CG 4.12Å; W131-P156 HydrophobicContact CB-CB 3.85Å; W131-P156 HydrophobicContact CB-CG 3.57Å; W131-P156 HydrophobicContact CD2-CB 3.78Å; W131-P156 HydrophobicContact CD2-CG 4.23Å; W131-P156 HydrophobicContact CE3-CB 3.9Å; W131-P156 HydrophobicContact CE3-CG 4.14Å; W131-P156 HydrophobicContact CG-CB 3.74Å; W131-P156 HydrophobicContact CG-CG 4.01Å; P156-R158 PolarHBondContact O-N 2.87Å
157	P	93.1	Very high	95.5	Very high	41 Å²	41	59.5 Å²	59.5	27%	0.266	30%	0.299	S	S	.	.			trans	-58.7	135.2	173.2	25.3	-33.3	0	0	0	110.4	W131 F160 F321	W131-P157 VanDerWaalsContact CH2-CD 3.46Å; W131-P157 HydrophobicContact CH2-CG 3.99Å; W131-P157 VanDerWaalsContact CZ2-CD 3.46Å; W131-P157 HydrophobicContact CZ2-CG 3.65Å; P157-F160 HydrophobicContact CB-CB 4.04Å; P157-F160 HydrophobicContact CG-CB 3.83Å; P157-F160 HydrophobicContact CG-CD1 4.37Å; P157-F160 HydrophobicContact CG-CG 4.32Å; P157-F321 HydrophobicContact CG-CE1 4.24Å; P157-F321 HydrophobicContact CG-CZ 4.12Å
158	R	86.8	Confident	95.3	Very high	257 Å²	257	61.4 Å²	61.4	97%	0.97	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-26	-173.1	-66.5	-176.9	-178.4	179.8	1.9	113.9	P156	P156-R158 PolarHBondContact O-N 2.87Å
159	A	89	Confident	95	Very high	59 Å²	59	58.3 Å²	58.3	49%	0.488	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	60.2	-171.3	0	0	0	0	0	110.8	Y314	A159-Y314 HydrophobicContact CB-CD2 4.07Å; A159-Y314 HydrophobicContact CB-CE2 4.06Å
160	F	94.6	Very high	94.6	Very high	26 Å²	26	67.6 Å²	67.6	11%	0.114	34%	0.343	C	S	.	.			trans	-137.3	131.7	178.8	174.8	-100	0	0	0	110.6	L135 P157 Y162 Y314 G316 H320 F321	L135-F160 HydrophobicContact CD2-CE1 4.32Å; P157-F160 HydrophobicContact CB-CB 4.04Å; P157-F160 HydrophobicContact CG-CB 3.83Å; P157-F160 HydrophobicContact CG-CD1 4.37Å; P157-F160 HydrophobicContact CG-CG 4.32Å; F160-Y162 HydrophobicContact CE1-CD2 4.15Å; F160-Y162 HydrophobicContact CZ-CD2 4.25Å; F160-Y314 CarbonylContact C-O 3.54Å; F160-Y314 WeakPolarHBondContact CA-O 3.32Å; F160-G316 WeakPolarHBondContact CZ-O 3.43Å; F160-H320 AromaticContact CD2-CE1 3.99Å; F160-H320 AromaticContact CD2-ND1 3.95Å; F160-H320 HydrophobicContact CE2-CB 3.81Å; F160-H320 AromaticContact CE2-CG 3.63Å; F160-H320 AromaticContact CE2-ND1 3.85Å; F160-H320 HydrophobicContact CZ-CB 4.35Å; F160-F321 HydrophobicContact CD1-CE2 4.47Å; F160-F321 HydrophobicContact CD1-CZ 4.13Å; F160-F321 AromaticContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CZ 4.01Å; F160-F321 HydrophobicContact CE2-CE2 4.32Å; F160-F321 HydrophobicContact CE2-CZ 4.41Å; F160-F321 HydrophobicContact CG-CZ 4.38Å; F160-F321 AromaticContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CZ 4.16Å
161	V	96.6	Very high	94.4	Very high	40 Å²	40	68.8 Å²	68.8	24%	0.242	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.5	178.9	-179.6	0	0	0	0	108.9	I163 Y314 Y315 G316	V161-I163 PolarHBondContact O-N 2.82Å; V161-Y314 HydrophobicContact CB-CE1 4.35Å; V161-Y314 HydrophobicContact CG2-CD1 4.1Å; V161-Y314 HydrophobicContact CG2-CE1 3.5Å; V161-Y314 PolarHBondContact N-O 2.83Å; V161-Y315 HydrophobicContact CB-CD1 3.79Å; V161-Y315 HydrophobicContact CB-CE1 3.98Å; V161-Y315 HydrophobicContact CG1-CD1 3.97Å; V161-Y315 HydrophobicContact CG1-CE1 4.07Å; V161-Y315 HydrophobicContact CG2-CD1 4.49Å; V161-Y315 HydrophobicContact CG2-CE1 4.23Å; V161-Y315 WeakPolarHBondContact O-CA 3.46Å; V161-G316 PolarHBondContact O-N 2.74Å; V161-G316 VanDerWaalsContact O-N 3.14Å
162	Y	97.8	Very high	94.2	Very high	11 Å²	11	67 Å²	67	4%	0.043	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	125.9	176.2	-163.3	-88	0	0	0	111.6	L135 K138 R139 H141 I145 F160 G316 N317 I318	L135-Y162 HydrophobicContact CD2-CD2 3.48Å; L135-Y162 VanDerWaalsContact CD2-CD2 3.48Å; L135-Y162 HydrophobicContact CD2-CE2 4.27Å; L135-Y162 HydrophobicContact CD2-CG 3.92Å; K138-Y162 HydrophobicContact CB-CD1 4.11Å; R139-Y162 HydrophobicContact CB-CE1 4.11Å; H141-Y162 PolarHBondContact NE2-OH 2.84Å; I145-Y162 HydrophobicContact CD1-CE2 3.69Å; I145-Y162 WeakPolarHBondContact CD1-OH 3.18Å; F160-Y162 HydrophobicContact CE1-CD2 4.15Å; F160-Y162 HydrophobicContact CZ-CD2 4.25Å; Y162-G316 CarbonylContact C-O 3.45Å; Y162-G316 VanDerWaalsContact CA-O 3.23Å; Y162-G316 WeakPolarHBondContact CA-O 3.37Å; Y162-N317 HydrophobicContact CE2-CB 4.12Å; Y162-I318 HydrophobicContact CE2-CB 4.37Å
163	I	97.8	Very high	93.9	Very high	29 Å²	29	69.8 Å²	69.8	15%	0.149	38%	0.377	C	S	.	.			trans	-127.4	156	174.2	56	167	0	0	0	110.2	V161 E165 R167 V274 Y315 G316 N317	V161-I163 PolarHBondContact O-N 2.82Å; I163-E165 WeakPolarHBondContact CD1-O 3.37Å; I163-R167 HydrophobicContact CD1-CB 4.37Å; I163-V274 HydrophobicContact CD1-CG1 3.71Å; I163-V274 HydrophobicContact CG1-CG1 3.91Å; I163-Y315 HydrophobicContact CG2-CD1 4.16Å; I163-G316 PolarHBondContact N-O 3.19Å; I163-N317 VanDerWaalsContact O-CB 3.25Å; I163-N317 WeakPolarHBondContact O-CB 3.27Å
164	N	97.4	Very high	93.5	Very high	46 Å²	46	69.9 Å²	69.9	25%	0.246	38%	0.378	C	S	.	.	S	Bend	trans	-103.9	-22	-177.7	-63.1	-74.6	0	0	0	113.6	K138 R139 S140	K138-N164 PolarHBondContact O-ND2 3.39Å; R139-N164 VanDerWaalsContact CA-OD1 3.31Å; R139-N164 WeakPolarHBondContact CA-OD1 3.4Å; S140-N164 PolarHBondContact N-OD1 2.92Å; S140-N164 WeakPolarHBondContact OG-CB 3.2Å; S140-N164 VanDerWaalsContact OG-CG 3.28Å; S140-N164 PolarHBondContact OG-OD1 2.7Å
165	E	95.4	Very high	93.1	Very high	143 Å²	143	70.9 Å²	70.9	67%	0.668	38%	0.383	S	S	*	.	S	Bend	trans	-138.7	163.1	-176.2	-63.9	179.5	178.9	0	0	108	I163 R167 V274	I163-E165 WeakPolarHBondContact CD1-O 3.37Å; E165-R167 PolarHBondContact O-N 3.49Å; E165-V274 VanDerWaalsContact O-CG1 3.29Å; E165-V274 WeakPolarHBondContact O-CG1 3.36Å
166	Y	95.9	Very high	92.8	Very high	40 Å²	40	76.3 Å²	76.3	16%	0.157	40%	0.401	C	S	.	.			trans	-55.2	138.4	179.5	-71.4	-46.4	0	0	0	112.4	Y273 V274 I277 V310 R346 I347	Y166-Y273 VanDerWaalsContact CE1-O 3.24Å; Y166-Y273 WeakPolarHBondContact CE1-O 3.28Å; Y166-Y273 PolarHBondContact OH-O 3.09Å; Y166-Y273 VanDerWaalsContact OH-O 3.09Å; Y166-V274 HydrophobicContact CD1-CG1 4.14Å; Y166-I277 HydrophobicContact CD1-CD1 4.34Å; Y166-I277 HydrophobicContact CD1-CG1 4.04Å; Y166-I277 HydrophobicContact CD2-CD1 3.69Å; Y166-I277 HydrophobicContact CD2-CG1 4.29Å; Y166-I277 HydrophobicContact CE2-CD1 4.39Å; Y166-I277 HydrophobicContact CG-CD1 3.69Å; Y166-I277 HydrophobicContact CG-CG1 3.85Å; Y166-V310 HydrophobicContact CD1-CG1 4.33Å; Y166-V310 HydrophobicContact CD1-CG2 4.35Å; Y166-V310 HydrophobicContact CE1-CB 4.46Å; Y166-V310 HydrophobicContact CE1-CG1 3.88Å; Y166-V310 HydrophobicContact CE1-CG2 3.66Å; Y166-R346 HydrophobicContact CE2-CB 4.4Å; Y166-R346 HydrophobicContact CE2-CG 4.02Å; Y166-I347 PolarHBondContact OH-N 3.33Å
167	R	95.7	Very high	92.6	Very high	109 Å²	109	75 Å²	75	41%	0.411	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.7	163.6	-175.3	-178.3	-176.9	-167.2	-0.7	108.2	I163 E165 G169 G275 E276 I277 Y315	I163-R167 HydrophobicContact CD1-CB 4.37Å; E165-R167 PolarHBondContact O-N 3.49Å; R167-G169 PolarHBondContact O-N 2.85Å; R167-G275 PolarHBondContact N-O 3.02Å; R167-E276 HydrophobicContact CB-CB 4.48Å; R167-E276 IonicContact NH1-OE1 2.69Å; R167-E276 CarbonylContact O-C 3.59Å; R167-E276 VanDerWaalsContact O-CA 3.23Å; R167-E276 WeakPolarHBondContact O-CA 3.39Å; R167-I277 PolarHBondContact O-N 3.05Å; R167-Y315 PolarHBondContact NH1-OH 3.48Å
168	V	93.7	Very high	92.5	Very high	53 Å²	53	77.4 Å²	77.4	32%	0.321	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124.9	179.9	-173.2	0	0	0	0	109.7	I172 L174	V168-I172 HydrophobicContact CG1-CB 3.58Å; V168-I172 HydrophobicContact CG1-CG2 3.76Å; V168-I172 WeakPolarHBondContact CG1-O 3.2Å; V168-L174 HydrophobicContact CG2-CD1 3.45Å; V168-L174 VanDerWaalsContact CG2-CD1 3.45Å; V168-L174 HydrophobicContact CG2-CG 3.87Å
169	G	92	Very high	92.7	Very high	14 Å²	14	70.2 Å²	70.2	14%	0.144	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-71.2	173.3	175.4	0	0	0	0	0	113.2	R167 G171 I172 I277	R167-G169 PolarHBondContact O-N 2.85Å; G169-G171 PolarHBondContact O-N 3.45Å; G169-I172 PolarHBondContact O-N 3.1Å; G169-I277 WeakPolarHBondContact CA-O 3.19Å; G169-I277 PolarHBondContact N-O 3.46Å
170	E	89.6	Confident	93	Very high	197 Å²	197	68.7 Å²	68.7	92%	0.921	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	135.2	-177.6	-170.5	171.6	-176.2	0	0	111.9	I172	E170-I172 VanDerWaalsContact C-N 3.26Å; E170-I172 PolarHBondContact O-N 3.08Å
171	G	89.2	Confident	93.1	Very high	79 Å²	79	68.1 Å²	68.1	81%	0.814	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-5.8	178.2	0	0	0	0	0	115.9	G169	G169-G171 PolarHBondContact O-N 3.45Å
172	I	91.2	Very high	93	Very high	16 Å²	16	73.9 Å²	73.9	8%	0.082	41%	0.413	C	S	.	.			trans	-94.4	136.7	-180	-53.9	177.5	0	0	0	109.5	V168 G169 E170 I277 Y308 L344	V168-I172 HydrophobicContact CG1-CB 3.58Å; V168-I172 HydrophobicContact CG1-CG2 3.76Å; V168-I172 WeakPolarHBondContact CG1-O 3.2Å; G169-I172 PolarHBondContact O-N 3.1Å; E170-I172 VanDerWaalsContact C-N 3.26Å; E170-I172 PolarHBondContact O-N 3.08Å; I172-I277 HydrophobicContact CD1-CB 4.46Å; I172-I277 HydrophobicContact CD1-CG2 3.85Å; I172-I277 WeakPolarHBondContact CD1-O 3.22Å; I172-I277 HydrophobicContact CG2-CG2 4.44Å; I172-Y308 HydrophobicContact CD1-CD1 3.7Å; I172-Y308 HydrophobicContact CD1-CE1 3.75Å; I172-Y308 HydrophobicContact CG1-CD1 4.27Å; I172-Y308 HydrophobicContact CG1-CE1 3.78Å; I172-Y308 HydrophobicContact CG2-CE1 4.05Å; I172-L344 HydrophobicContact CG2-CD1 4.1Å; I172-L344 HydrophobicContact CG2-CD2 4.43Å
173	T	89.1	Confident	92.9	Very high	93 Å²	93	73.5 Å²	73.5	57%	0.571	41%	0.412	S	S	*	.			trans	-124.9	127.9	179	-58.5	0	0	0	0	110.2
174	L	88.2	Confident	92.6	Very high	71 Å²	71	80.9 Å²	80.9	37%	0.372	45%	0.446	S	S	.	.			trans	-91.5	115.1	170.4	-66.6	174.4	0	0	0	109.4	V168 L344	V168-L174 HydrophobicContact CG2-CD1 3.45Å; V168-L174 VanDerWaalsContact CG2-CD1 3.45Å; V168-L174 HydrophobicContact CG2-CG 3.87Å; L174-L344 HydrophobicContact CD2-CB 4.09Å; L174-L344 HydrophobicContact CD2-CD1 3.74Å; L174-L344 HydrophobicContact CD2-CG 4.4Å
175	N	89.2	Confident	92.4	Very high	98 Å²	98	81.5 Å²	81.5	52%	0.524	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-85	122.2	179.5	-69.7	-41.2	0	0	0	110.2	N339	N175-N339 WeakPolarHBondContact O-CA 3.47Å; N175-N339 PolarHBondContact O-OD1 3.23Å
176	Q	90.5	Very high	92.4	Very high	142 Å²	142	74.8 Å²	74.8	66%	0.664	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-70.5	137.9	174.2	-70.8	-170.1	-9.6	0	0	111.1	D338	Q176-D338 CarbonylContact C-O 3.54Å; Q176-D338 VanDerWaalsContact CA-O 3.31Å; Q176-D338 WeakPolarHBondContact CA-O 3.45Å
177	V	91.5	Very high	92.3	Very high	11 Å²	11	74.4 Å²	74.4	7%	0.067	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-60.3	135.5	174.5	66.2	0	0	0	0	111.1	V179 N223 R225 D338 L340	V177-V179 VanDerWaalsContact CG2-O 3.3Å; V177-V179 WeakPolarHBondContact CG2-O 3.5Å; V177-N223 HydrophobicContact CG1-CB 3.73Å; V177-N223 VanDerWaalsContact CG1-ND2 3.27Å; V177-N223 WeakPolarHBondContact CG1-ND2 3.3Å; V177-R225 HydrophobicContact CG1-CG 4.31Å; V177-R225 WeakPolarHBondContact O-CG 3.39Å; V177-D338 PolarHBondContact N-O 3.32Å; V177-L340 HydrophobicContact CB-CD1 4.37Å; V177-L340 HydrophobicContact CB-CG 4.15Å; V177-L340 HydrophobicContact CG2-CD1 3.5Å; V177-L340 VanDerWaalsContact CG2-CD1 3.5Å; V177-L340 HydrophobicContact CG2-CG 3.82Å
178	A	90.3	Very high	92.2	Very high	91 Å²	91	78.1 Å²	78.1	75%	0.752	43%	0.433	S	S	*	.	S	Bend	trans	-81.9	-26.1	-177.7	0	0	0	0	0	113.2
179	V	92.3	Very high	92.1	Very high	106 Å²	106	78.6 Å²	78.6	64%	0.642	44%	0.442	S	S	*	.			trans	-128.7	150.3	-170.8	-63.4	0	0	0	0	112.1	V177 N223	V177-V179 VanDerWaalsContact CG2-O 3.3Å; V177-V179 WeakPolarHBondContact CG2-O 3.5Å; V179-N223 PolarHBondContact O-ND2 3.14Å
180	G	94.9	Very high	92	Very high	27 Å²	27	80 Å²	80	28%	0.278	45%	0.449	S	S	.	.			trans	-134.3	168.2	171.5	0	0	0	0	0	110.5	C226	G180-C226 WeakPolarHBondContact CA-SG 3.33Å
181	C	95.8	Very high	92	Very high	14 Å²	14	75.5 Å²	75.5	10%	0.095	44%	0.435	C	S	.	.			trans	-72.7	153.2	177.2	74.1	0	0	0	0	112	C194 C226 R227	C181-C194 PolarHBondContact SG-SG 3.29Å; C181-C226 PolarHBondContact N-SG 3.4Å; C181-C226 WeakPolarHBondContact O-CA 3.39Å; C181-R227 PolarHBondContact O-N 3.25Å
182	E	95.3	Very high	91.9	Very high	161 Å²	161	75 Å²	75	75%	0.752	43%	0.43	S	S	*	.			trans	-102.4	12.5	175.3	-60.2	-175.7	171.5	0	0	112.8
183	C	94.8	Very high	91.9	Very high	3 Å²	3	75.7 Å²	75.7	2%	0.02	44%	0.44	C	S	.	.			trans	-59.4	139.3	-174.9	-55	0	0	0	0	111.9	C186	C183-C186 HydrophobicContact CB-CB 4.5Å; C183-C186 VanDerWaalsContact CB-SG 3.57Å
184	Q	91.9	Very high	92.2	Very high	184 Å²	184	71.5 Å²	71.5	86%	0.86	42%	0.415	S	S	*	.	S	Bend	trans	-81.4	-36.7	164.8	-67.7	-177.4	-3.3	0	0	111.2
185	D	94	Very high	92.6	Very high	59 Å²	59	68.7 Å²	68.7	32%	0.316	40%	0.401	S	S	.	.			trans	-133.4	104.4	175.3	-173.3	-28.3	0	0	0	109.3	L187 W188 A189	D185-L187 PolarHBondContact O-N 2.74Å; D185-L187 PolarHBondContact OD1-N 2.93Å; D185-W188 PolarHBondContact OD1-N 2.86Å; D185-W188 VanDerWaalsContact OD2-CD1 3.27Å; D185-A189 HydrophobicContact CB-CB 4.32Å; D185-A189 CarbonylContact O-C 3.6Å; D185-A189 WeakPolarHBondContact O-CA 3.34Å; D185-A189 PolarHBondContact O-N 2.78Å; D185-A189 VanDerWaalsContact O-O 3.06Å
186	C	96	Very high	92.8	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.02	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.4	-177.4	-63.6	0	0	0	0	113.9	C183 P190 C194 F203 C228 N234	C183-C186 HydrophobicContact CB-CB 4.5Å; C183-C186 VanDerWaalsContact CB-SG 3.57Å; C186-P190 WeakPolarHBondContact O-CB 3.39Å; C186-C194 PolarHBondContact SG-SG 3Å; C186-F203 HydrophobicContact CB-CE2 4.33Å; C186-F203 WeakPolarHBondContact O-CE2 3.09Å; C186-C228 VanDerWaalsContact SG-CB 3.59Å; C186-C228 VanDerWaalsContact SG-SG 3.67Å; C186-N234 HydrophobicContact CB-CB 4.49Å
187	L	93.7	Very high	92.9	Very high	31 Å²	31	58.3 Å²	58.3	16%	0.162	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-50.6	-175.3	180	62.4	0	0	0	111.3	D185 F203 D207 P233	D185-L187 PolarHBondContact O-N 2.74Å; D185-L187 PolarHBondContact OD1-N 2.93Å; L187-F203 HydrophobicContact CB-CZ 4.49Å; L187-F203 HydrophobicContact CD1-CD1 4.07Å; L187-F203 HydrophobicContact CD1-CE1 3.64Å; L187-F203 HydrophobicContact CD1-CZ 4.02Å; L187-D207 HydrophobicContact CD2-CB 3.83Å; L187-P233 HydrophobicContact CB-CB 4.09Å; L187-P233 HydrophobicContact CB-CG 3.95Å; L187-P233 HydrophobicContact CD2-CB 4.07Å; L187-P233 HydrophobicContact CD2-CG 4.11Å
188	W	92.8	Very high	92.9	Very high	188 Å²	188	61.9 Å²	61.9	71%	0.712	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-22.9	-173.2	-55.2	112.6	0	0	0	113.4	D185 D207	D185-W188 PolarHBondContact OD1-N 2.86Å; D185-W188 VanDerWaalsContact OD2-CD1 3.27Å; W188-D207 HydrophobicContact CZ2-CB 3.96Å
189	A	91.6	Very high	92.9	Very high	63 Å²	63	59.1 Å²	59.1	52%	0.521	36%	0.361	S	S	.	.	S	Bend	trans	-136.7	55.1	176.3	0	0	0	0	0	112.8	D185 T191	D185-A189 HydrophobicContact CB-CB 4.32Å; D185-A189 CarbonylContact O-C 3.6Å; D185-A189 WeakPolarHBondContact O-CA 3.34Å; D185-A189 PolarHBondContact O-N 2.78Å; D185-A189 VanDerWaalsContact O-O 3.06Å; A189-T191 PolarHBondContact O-N 3.28Å
190	P	91.2	Very high	92.8	Very high	44 Å²	44	62 Å²	62	29%	0.286	37%	0.372	S	S	.	.			trans	-69.8	101.2	-177.4	27.7	-33.2	0	0	0	111.4	C186 G192 G193 C194	C186-P190 WeakPolarHBondContact O-CB 3.39Å; P190-G192 PolarHBondContact O-N 3.21Å; P190-G193 PolarHBondContact O-N 3Å; P190-C194 HydrophobicContact CB-CB 3.84Å
191	T	88	Confident	92.7	Very high	102 Å²	102	63.5 Å²	63.5	63%	0.626	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-49.7	117.3	169.8	-48.8	0	0	0	0	110.1	A189 G193 C194	A189-T191 PolarHBondContact O-N 3.28Å; T191-G193 PolarHBondContact O-N 3.26Å; T191-G193 VanDerWaalsContact O-N 3.16Å; T191-C194 PolarHBondContact O-N 2.83Å
192	G	88.2	Confident	92.5	Very high	69 Å²	69	70.8 Å²	70.8	71%	0.711	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	60.2	21.2	-178.8	0	0	0	0	0	115.1	P190 G197	P190-G192 PolarHBondContact O-N 3.21Å; G192-G197 WeakPolarHBondContact O-CA 3.32Å
193	G	91.4	Very high	92.5	Very high	29 Å²	29	65.1 Å²	65.1	30%	0.299	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	80.4	12.9	-174.3	0	0	0	0	0	114.5	P190 T191 G197	P190-G193 PolarHBondContact O-N 3Å; T191-G193 PolarHBondContact O-N 3.26Å; T191-G193 VanDerWaalsContact O-N 3.16Å; G193-G197 PolarHBondContact O-N 2.88Å
194	C	95.5	Very high	92.6	Very high	5 Å²	5	65 Å²	65	3%	0.034	37%	0.374	C	S	.	.	H	α-helix	trans	61.3	-156.7	-178.4	-166.3	0	0	0	0	111.6	C181 C186 P190 T191 P196 G197 A198 C222	C181-C194 PolarHBondContact SG-SG 3.29Å; C186-C194 PolarHBondContact SG-SG 3Å; P190-C194 HydrophobicContact CB-CB 3.84Å; T191-C194 PolarHBondContact O-N 2.83Å; C194-P196 VanDerWaalsContact C-CD 3.49Å; C194-G197 PolarHBondContact O-N 3.45Å; C194-A198 PolarHBondContact O-N 3.47Å; C194-C222 PolarHBondContact SG-SG 2.66Å
195	C	95.9	Very high	92.8	Very high	13 Å²	13	56.4 Å²	56.4	9%	0.088	33%	0.334	C	S	.	.	H	α-helix	trans	-56.5	-41.7	177.2	-61.1	0	0	0	0	113.5	G197 A198 S199 C226	C195-G197 VanDerWaalsContact C-N 3.34Å; C195-G197 PolarHBondContact O-N 3.45Å; C195-A198 PolarHBondContact O-N 3.27Å; C195-S199 PolarHBondContact O-N 3.18Å; C195-C226 PolarHBondContact SG-SG 2.94Å
196	P	94.2	Very high	92.9	Very high	1 Å²	1	55 Å²	55	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-57.2	-47	173.1	-22.1	30.2	0	0	0	112.5	C194 A198 S199 L200 H201 F203 Y220	C194-P196 VanDerWaalsContact C-CD 3.49Å; P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 2.97Å; P196-S199 CarbonylContact O-C 3.57Å; P196-S199 WeakPolarHBondContact O-CA 3.38Å; P196-S199 PolarHBondContact O-N 2.75Å; P196-L200 PolarHBondContact O-N 2.96Å; P196-L200 VanDerWaalsContact O-N 3.17Å; P196-H201 CarbonylContact C-O 3.55Å; P196-H201 WeakPolarHBondContact CB-O 2.9Å; P196-H201 WeakPolarHBondContact O-CA 2.98Å; P196-H201 PolarHBondContact O-N 3Å; P196-F203 HydrophobicContact CG-CD2 4.25Å; P196-Y220 WeakPolarHBondContact CG-O 3.22Å
197	G	92.6	Very high	92.8	Very high	21 Å²	21	59.7 Å²	59.7	22%	0.216	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-34.7	-179.2	0	0	0	0	0	113.5	G192 G193 C194 C195 S199 L200 H201	G192-G197 WeakPolarHBondContact O-CA 3.32Å; G193-G197 PolarHBondContact O-N 2.88Å; C194-G197 PolarHBondContact O-N 3.45Å; C195-G197 VanDerWaalsContact C-N 3.34Å; C195-G197 PolarHBondContact O-N 3.45Å; G197-S199 PolarHBondContact O-N 3.24Å; G197-L200 PolarHBondContact O-N 2.87Å; G197-H201 PolarHBondContact N-O 3.04Å
198	A	90.8	Very high	92.9	Very high	85 Å²	85	63.6 Å²	63.6	70%	0.702	37%	0.368	S	S	*	.	H	α-helix	trans	-62	-29.9	172.6	0	0	0	0	0	112.7	C194 C195 P196	C194-A198 PolarHBondContact O-N 3.47Å; C195-A198 PolarHBondContact O-N 3.27Å; P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 2.97Å
199	S	89.3	Confident	93.1	Very high	33 Å²	33	55.5 Å²	55.5	23%	0.231	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	12.7	172.6	-54	0	0	0	0	113.2	C195 P196 G197 H201 Y220	C195-S199 PolarHBondContact O-N 3.18Å; P196-S199 CarbonylContact O-C 3.57Å; P196-S199 WeakPolarHBondContact O-CA 3.38Å; P196-S199 PolarHBondContact O-N 2.75Å; G197-S199 PolarHBondContact O-N 3.24Å; S199-H201 PolarHBondContact O-CD2 3.46Å; S199-H201 PolarHBondContact O-N 3.22Å; S199-Y220 VanDerWaalsContact OG-CD1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CD1 3.26Å; S199-Y220 VanDerWaalsContact OG-CE1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CE1 3.48Å
200	L	91.3	Very high	93.4	Very high	166 Å²	166	54 Å²	54	87%	0.869	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	24.5	-177.3	-52.4	175.6	0	0	0	114.8	P196 G197	P196-L200 PolarHBondContact O-N 2.96Å; P196-L200 VanDerWaalsContact O-N 3.17Å; G197-L200 PolarHBondContact O-N 2.87Å
201	H	91.8	Very high	93.7	Very high	60 Å²	60	52 Å²	52	28%	0.278	31%	0.313	S	S	.	.			trans	-111	167	177.2	-71.6	-77.2	0	0	0	113	P196 G197 S199 P218 Y220	P196-H201 CarbonylContact C-O 3.55Å; P196-H201 WeakPolarHBondContact CB-O 2.9Å; P196-H201 WeakPolarHBondContact O-CA 2.98Å; P196-H201 PolarHBondContact O-N 3Å; G197-H201 PolarHBondContact N-O 3.04Å; S199-H201 PolarHBondContact O-CD2 3.46Å; S199-H201 PolarHBondContact O-N 3.22Å; H201-P218 WeakPolarHBondContact CE1-CG 3.34Å; H201-Y220 HydrophobicContact CB-CD2 4.06Å; H201-Y220 HydrophobicContact CB-CE2 4.46Å; H201-Y220 AromaticContact CD2-CD2 3.65Å; H201-Y220 AromaticContact CD2-CE2 3.17Å; H201-Y220 WeakPolarHBondContact CD2-CE2 3.42Å; H201-Y220 AromaticContact CG-CD2 3.99Å; H201-Y220 AromaticContact CG-CE2 3.9Å; H201-Y220 AromaticContact NE2-CE2 3.64Å
202	K	92.1	Very high	94.1	Very high	166 Å²	166	56.3 Å²	56.3	72%	0.722	32%	0.318	S	S	*	.			trans	-88.2	150.9	179.2	-66	-179.2	-176.7	175.2	0	111.2	A204 L213	K202-A204 PolarHBondContact O-N 2.83Å; K202-L213 HydrophobicContact CB-CD2 4.07Å
203	F	94.7	Very high	94.4	Very high	43 Å²	43	54 Å²	54	19%	0.189	29%	0.289	C	S	.	.			trans	-59.6	128.5	171.7	-161.6	-81.7	0	0	0	111.1	C186 L187 P196 Y205 P233 N234	C186-F203 HydrophobicContact CB-CE2 4.33Å; C186-F203 WeakPolarHBondContact O-CE2 3.09Å; L187-F203 HydrophobicContact CB-CZ 4.49Å; L187-F203 HydrophobicContact CD1-CD1 4.07Å; L187-F203 HydrophobicContact CD1-CE1 3.64Å; L187-F203 HydrophobicContact CD1-CZ 4.02Å; P196-F203 HydrophobicContact CG-CD2 4.25Å; F203-Y205 VanDerWaalsContact CD1-O 3.23Å; F203-Y205 WeakPolarHBondContact CD1-O 3.39Å; F203-Y205 HydrophobicContact CE1-CD2 4.39Å; F203-Y205 WeakPolarHBondContact CE1-O 3.34Å; F203-P233 HydrophobicContact CZ-CB 4.42Å; F203-N234 HydrophobicContact CE2-CB 3.54Å; F203-N234 HydrophobicContact CZ-CB 3.52Å
204	A	96.9	Very high	94.4	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	30%	0.3	C	S	.	.			trans	-82.9	-28	-166.7	0	0	0	0	0	114.5	K202 V211 R212 L213 I219	K202-A204 PolarHBondContact O-N 2.83Å; A204-V211 CarbonylContact O-C 3.6Å; A204-V211 WeakPolarHBondContact O-CA 3.46Å; A204-R212 PolarHBondContact O-N 2.74Å; A204-L213 HydrophobicContact CB-CD1 3.68Å; A204-L213 HydrophobicContact CB-CG 4.1Å; A204-I219 HydrophobicContact CB-CB 4.25Å; A204-I219 HydrophobicContact CB-CD1 4.36Å; A204-I219 HydrophobicContact CB-CG1 3.91Å; A204-I219 HydrophobicContact CB-CG2 3.64Å
205	Y	97.4	Very high	94	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.008	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-112.9	154.2	-166.6	-47.4	-61.6	0	0	0	113.7	F203 Q210 V211 I219 E221 P233 V236 F350	F203-Y205 VanDerWaalsContact CD1-O 3.23Å; F203-Y205 WeakPolarHBondContact CD1-O 3.39Å; F203-Y205 HydrophobicContact CE1-CD2 4.39Å; F203-Y205 WeakPolarHBondContact CE1-O 3.34Å; Y205-Q210 CarbonylContact C-O 3.38Å; Y205-Q210 VanDerWaalsContact CA-O 3.32Å; Y205-Q210 WeakPolarHBondContact CA-O 3.46Å; Y205-V211 HydrophobicContact CD1-CB 4.44Å; Y205-I219 HydrophobicContact CE1-CD1 4.34Å; Y205-I219 HydrophobicContact CE1-CG2 4.43Å; Y205-I219 HydrophobicContact CE2-CG2 4.21Å; Y205-I219 WeakPolarHBondContact OH-CG2 3.31Å; Y205-E221 HydrophobicContact CE2-CG 4.14Å; Y205-E221 WeakPolarHBondContact CE2-OE1 3.4Å; Y205-E221 VanDerWaalsContact CZ-OE1 3.3Å; Y205-E221 PolarHBondContact OH-OE1 3.14Å; Y205-P233 WeakPolarHBondContact CD2-O 3.47Å; Y205-V236 HydrophobicContact CD1-CB 4.47Å; Y205-V236 HydrophobicContact CD1-CG2 4.03Å; Y205-V236 HydrophobicContact CD2-CB 4.34Å; Y205-V236 HydrophobicContact CD2-CG2 3.59Å; Y205-V236 HydrophobicContact CE1-CB 4.07Å; Y205-V236 HydrophobicContact CE1-CG1 4.38Å; Y205-V236 HydrophobicContact CE1-CG2 4.11Å; Y205-V236 HydrophobicContact CE2-CB 3.87Å; Y205-V236 HydrophobicContact CE2-CG2 3.63Å; Y205-V236 HydrophobicContact CG-CG2 3.76Å; Y205-F350 AromaticContact CE1-CE1 3.92Å; Y205-F350 HydrophobicContact CE1-CE1 3.92Å; Y205-F350 AromaticContact CE1-CZ 3.8Å; Y205-F350 HydrophobicContact CE1-CZ 3.8Å
206	N	95.5	Very high	93.5	Very high	31 Å²	31	60 Å²	60	17%	0.166	31%	0.309	C	S	.	.			trans	-84.3	-179.2	161.3	68.2	7.3	0	0	0	111.4	Q208 G209 Q210 R212	N206-Q208 PolarHBondContact O-N 3.19Å; N206-Q208 WeakPolarHBondContact OD1-CA 3.46Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.15Å; N206-Q208 PolarHBondContact OD1-N 2.84Å; N206-G209 PolarHBondContact O-N 3.3Å; N206-G209 PolarHBondContact OD1-N 3.41Å; N206-G209 VanDerWaalsContact OD1-N 3.11Å; N206-Q210 PolarHBondContact N-O 3.43Å; N206-Q210 PolarHBondContact ND2-OE1 2.77Å; N206-Q210 WeakPolarHBondContact OD1-CB 3.23Å; N206-Q210 PolarHBondContact OD1-N 2.83Å; N206-Q210 PolarHBondContact OD1-O 3.22Å; N206-R212 HydrophobicContact CB-CG 4.22Å
207	D	94.7	Very high	93.4	Very high	101 Å²	101	62.7 Å²	62.7	54%	0.54	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.8	174.3	63	-25.6	0	0	0	114.3	L187 W188	L187-D207 HydrophobicContact CD2-CB 3.83Å; W188-D207 HydrophobicContact CZ2-CB 3.96Å
208	Q	95.6	Very high	93.5	Very high	112 Å²	112	61.9 Å²	61.9	52%	0.523	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4	175	-55.2	-174.8	17.6	0	0	113.3	N206 Q210	N206-Q208 PolarHBondContact O-N 3.19Å; N206-Q208 WeakPolarHBondContact OD1-CA 3.46Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.15Å; N206-Q208 PolarHBondContact OD1-N 2.84Å; Q208-Q210 VanDerWaalsContact C-N 3.29Å; Q208-Q210 HydrophobicContact CB-CG 4.26Å; Q208-Q210 PolarHBondContact O-N 3.21Å
209	G	96.3	Very high	93.8	Very high	19 Å²	19	57.8 Å²	57.8	20%	0.196	28%	0.28	C	S	.	.	S	Bend	trans	73.1	17.7	-177.9	0	0	0	0	0	114.3	N206	N206-G209 PolarHBondContact O-N 3.3Å; N206-G209 PolarHBondContact OD1-N 3.41Å; N206-G209 VanDerWaalsContact OD1-N 3.11Å
210	Q	97.9	Very high	94.2	Very high	32 Å²	32	56.8 Å²	56.8	15%	0.15	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-91.1	135.8	177.1	-58.2	172	-59.6	0	0	110.5	Y205 N206 Q208 K266 N267	Y205-Q210 CarbonylContact C-O 3.38Å; Y205-Q210 VanDerWaalsContact CA-O 3.32Å; Y205-Q210 WeakPolarHBondContact CA-O 3.46Å; N206-Q210 PolarHBondContact N-O 3.43Å; N206-Q210 PolarHBondContact ND2-OE1 2.77Å; N206-Q210 WeakPolarHBondContact OD1-CB 3.23Å; N206-Q210 PolarHBondContact OD1-N 2.83Å; N206-Q210 PolarHBondContact OD1-O 3.22Å; Q208-Q210 VanDerWaalsContact C-N 3.29Å; Q208-Q210 HydrophobicContact CB-CG 4.26Å; Q208-Q210 PolarHBondContact O-N 3.21Å; Q210-K266 PolarHBondContact NE2-O 3.03Å; Q210-N267 CarbonylContact C-O 3.6Å; Q210-N267 WeakPolarHBondContact CA-O 3.41Å; Q210-N267 HydrophobicContact CB-CB 3.99Å
211	V	97.8	Very high	94.5	Very high	2 Å²	2	49 Å²	49	1%	0.012	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-65.3	135.6	177.6	69.1	0	0	0	0	111.3	A204 Y205 L213 I219 N267 Y333 F350	A204-V211 CarbonylContact O-C 3.6Å; A204-V211 WeakPolarHBondContact O-CA 3.46Å; Y205-V211 HydrophobicContact CD1-CB 4.44Å; V211-L213 HydrophobicContact CG2-CB 4.23Å; V211-I219 HydrophobicContact CG2-CD1 4.04Å; V211-N267 HydrophobicContact CG1-CB 3.85Å; V211-N267 PolarHBondContact N-O 2.82Å; V211-N267 VanDerWaalsContact O-CB 3.28Å; V211-N267 WeakPolarHBondContact O-CB 3.06Å; V211-N267 PolarHBondContact O-ND2 2.77Å; V211-Y333 HydrophobicContact CG1-CE2 4.26Å; V211-Y333 HydrophobicContact CG2-CD1 4.37Å; V211-Y333 HydrophobicContact CG2-CE1 3.88Å; V211-F350 HydrophobicContact CB-CD1 3.79Å; V211-F350 HydrophobicContact CB-CE1 3.89Å; V211-F350 HydrophobicContact CB-CG 4.41Å; V211-F350 HydrophobicContact CG1-CB 4.07Å; V211-F350 HydrophobicContact CG1-CD1 3.58Å; V211-F350 HydrophobicContact CG1-CE1 4.21Å; V211-F350 HydrophobicContact CG1-CG 3.92Å
212	R	96	Very high	94.8	Very high	192 Å²	192	46.2 Å²	46.2	73%	0.725	22%	0.217	S	C	*	.			trans	-112.1	-15.6	178.1	-60.1	-179.2	68.7	179.6	-1	112.8	A204 N206	A204-R212 PolarHBondContact O-N 2.74Å; N206-R212 HydrophobicContact CB-CG 4.22Å
213	L	93.8	Very high	95	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.11	18%	0.184	C	C	.	.	S	Bend	trans	-71.2	152.4	175.5	-55.7	-179.3	0	0	0	109.8	K202 A204 V211 L217 I219 Y333	K202-L213 HydrophobicContact CB-CD2 4.07Å; A204-L213 HydrophobicContact CB-CD1 3.68Å; A204-L213 HydrophobicContact CB-CG 4.1Å; V211-L213 HydrophobicContact CG2-CB 4.23Å; L213-L217 HydrophobicContact CB-CB 4.37Å; L213-L217 HydrophobicContact CB-CD1 4.48Å; L213-L217 HydrophobicContact CD1-CB 4.42Å; L213-I219 HydrophobicContact CD1-CG1 4.2Å; L213-Y333 HydrophobicContact CB-CE1 4.5Å; L213-Y333 PolarHBondContact O-OH 3.25Å; L213-Y333 VanDerWaalsContact O-OH 3.12Å
214	R	91.8	Very high	95.1	Very high	141 Å²	141	40 Å²	40	53%	0.532	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-72.2	155.6	164.1	62	175.4	-177.5	-175	1.3	109.6	L217 Y333 D373	R214-L217 HydrophobicContact CG-CD1 3.67Å; R214-L217 HydrophobicContact CG-CG 3.87Å; R214-L217 PolarHBondContact O-N 3.18Å; R214-Y333 WeakPolarHBondContact O-CE1 3.41Å; R214-D373 WeakPolarHBondContact CD-OD1 3.28Å; R214-D373 IonicContact CZ-OD1 3.73Å; R214-D373 IonicContact NE-OD1 2.89Å; R214-D373 PolarHBondContact NE-OD1 3.5Å; R214-D373 IonicContact NH1-OD1 3.49Å; R214-D373 PolarHBondContact NH1-OD1 3.33Å
215	A	88	Confident	95	Very high	15 Å²	15	46.9 Å²	46.9	12%	0.124	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	155.2	169.6	0	0	0	0	0	110.9	L217 Q331 Y333	A215-L217 PolarHBondContact O-N 3.16Å; A215-Q331 HydrophobicContact CB-CG 3.69Å; A215-Y333 PolarHBondContact N-OH 3.18Å
216	G	86.1	Confident	95	Very high	17 Å²	17	47.4 Å²	47.4	18%	0.175	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-23.2	-174.3	0	0	0	0	0	114.4	E375	G216-E375 WeakPolarHBondContact CA-O 3.41Å
217	L	91.6	Very high	95	Very high	57 Å²	57	54.9 Å²	54.9	30%	0.298	26%	0.255	S	S	.	.	S	Bend	trans	-82.7	136.9	171.9	-63.9	179.9	0	0	0	111.3	L213 R214 A215	L213-L217 HydrophobicContact CB-CB 4.37Å; L213-L217 HydrophobicContact CB-CD1 4.48Å; L213-L217 HydrophobicContact CD1-CB 4.42Å; R214-L217 HydrophobicContact CG-CD1 3.67Å; R214-L217 HydrophobicContact CG-CG 3.87Å; R214-L217 PolarHBondContact O-N 3.18Å; A215-L217 PolarHBondContact O-N 3.16Å
218	P	94.4	Very high	95	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.019	23%	0.234	C	C	.	.			trans	-74.1	150.6	-179.7	33.5	-38.3	0	0	0	111.3	H201 Y220 Y303 F336	H201-P218 WeakPolarHBondContact CE1-CG 3.34Å; P218-Y220 HydrophobicContact CB-CD2 4.32Å; P218-Y220 HydrophobicContact CB-CE2 3.82Å; P218-Y220 HydrophobicContact CG-CD2 4.33Å; P218-Y220 HydrophobicContact CG-CE2 3.72Å; P218-Y303 HydrophobicContact CB-CE1 4.39Å; P218-Y303 HydrophobicContact CB-CE2 4.47Å; P218-Y303 VanDerWaalsContact CD-OH 3.27Å; P218-Y303 WeakPolarHBondContact CD-OH 3.31Å; P218-Y303 WeakPolarHBondContact CG-OH 3.5Å; P218-F336 HydrophobicContact CB-CD2 4.05Å; P218-F336 HydrophobicContact CB-CE2 3.75Å
219	I	97.1	Very high	95	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125	173.8	-61.3	175.9	0	0	0	109.1	A204 Y205 V211 L213 E221 Y333 N334 V335 F336 F350	A204-I219 HydrophobicContact CB-CB 4.25Å; A204-I219 HydrophobicContact CB-CD1 4.36Å; A204-I219 HydrophobicContact CB-CG1 3.91Å; A204-I219 HydrophobicContact CB-CG2 3.64Å; Y205-I219 HydrophobicContact CE1-CD1 4.34Å; Y205-I219 HydrophobicContact CE1-CG2 4.43Å; Y205-I219 HydrophobicContact CE2-CG2 4.21Å; Y205-I219 WeakPolarHBondContact OH-CG2 3.31Å; V211-I219 HydrophobicContact CG2-CD1 4.04Å; L213-I219 HydrophobicContact CD1-CG1 4.2Å; I219-E221 HydrophobicContact CG2-CG 4.19Å; I219-Y333 HydrophobicContact CD1-CD1 3.71Å; I219-Y333 HydrophobicContact CD1-CG 3.88Å; I219-Y333 HydrophobicContact CG1-CD1 4.15Å; I219-N334 PolarHBondContact N-O 2.81Å; I219-V335 HydrophobicContact CB-CG1 4.31Å; I219-V335 HydrophobicContact CB-CG2 4.19Å; I219-V335 HydrophobicContact CD1-CG2 4.39Å; I219-V335 HydrophobicContact CG2-CG1 4.22Å; I219-V335 CarbonylContact O-C 3.45Å; I219-V335 WeakPolarHBondContact O-CA 3.07Å; I219-F336 PolarHBondContact O-N 2.95Å; I219-F350 HydrophobicContact CD1-CE2 3.99Å; I219-F350 HydrophobicContact CD1-CZ 4.14Å
220	Y	97.3	Very high	94.9	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.047	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	102.3	175.3	-75.8	-90.6	0	0	0	110.2	P196 S199 H201 P218 N234 F336 L340 E342	P196-Y220 WeakPolarHBondContact CG-O 3.22Å; S199-Y220 VanDerWaalsContact OG-CD1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CD1 3.26Å; S199-Y220 VanDerWaalsContact OG-CE1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CE1 3.48Å; H201-Y220 HydrophobicContact CB-CD2 4.06Å; H201-Y220 HydrophobicContact CB-CE2 4.46Å; H201-Y220 AromaticContact CD2-CD2 3.65Å; H201-Y220 AromaticContact CD2-CE2 3.17Å; H201-Y220 WeakPolarHBondContact CD2-CE2 3.42Å; H201-Y220 AromaticContact CG-CD2 3.99Å; H201-Y220 AromaticContact CG-CE2 3.9Å; H201-Y220 AromaticContact NE2-CE2 3.64Å; P218-Y220 HydrophobicContact CB-CD2 4.32Å; P218-Y220 HydrophobicContact CB-CE2 3.82Å; P218-Y220 HydrophobicContact CG-CD2 4.33Å; P218-Y220 HydrophobicContact CG-CE2 3.72Å; Y220-N234 PolarHBondContact O-ND2 3.39Å; Y220-F336 HydrophobicContact CD1-CB 3.69Å; Y220-F336 HydrophobicContact CD1-CD2 4.35Å; Y220-F336 HydrophobicContact CD1-CG 4.38Å; Y220-F336 HydrophobicContact CD2-CD2 4.47Å; Y220-F336 HydrophobicContact CE1-CB 3.68Å; Y220-F336 AromaticContact CE1-CD2 3.85Å; Y220-F336 HydrophobicContact CE1-CD2 3.85Å; Y220-F336 AromaticContact CE1-CG 3.94Å; Y220-F336 HydrophobicContact CE1-CG 3.94Å; Y220-F336 AromaticContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CG-CB 4.4Å; Y220-F336 AromaticContact CZ-CD2 3.65Å; Y220-L340 HydrophobicContact CD1-CD2 4.1Å; Y220-L340 HydrophobicContact CE1-CD2 4.12Å; Y220-E342 PolarHBondContact OH-OE1 3.3Å
221	E	98.1	Very high	94.7	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.014	28%	0.276	C	S	.	.			trans	-81.2	165.3	176.3	-63.9	-150.5	151.6	0	0	112.1	Y205 I219 N234 V236 V237 Q238 V335 F336 I337	Y205-E221 HydrophobicContact CE2-CG 4.14Å; Y205-E221 WeakPolarHBondContact CE2-OE1 3.4Å; Y205-E221 VanDerWaalsContact CZ-OE1 3.3Å; Y205-E221 PolarHBondContact OH-OE1 3.14Å; I219-E221 HydrophobicContact CG2-CG 4.19Å; E221-N234 WeakPolarHBondContact CA-ND2 3.4Å; E221-N234 WeakPolarHBondContact CA-O 3.31Å; E221-N234 VanDerWaalsContact CB-O 3.28Å; E221-N234 WeakPolarHBondContact CB-O 3.44Å; E221-V236 WeakPolarHBondContact OE1-CA 3.3Å; E221-V236 WeakPolarHBondContact OE1-CB 3.25Å; E221-V236 PolarHBondContact OE1-N 2.95Å; E221-V236 PolarHBondContact OE2-N 3.11Å; E221-V237 PolarHBondContact OE1-N 2.85Å; E221-V237 PolarHBondContact OE2-N 2.96Å; E221-Q238 WeakPolarHBondContact OE2-CG 3.24Å; E221-Q238 PolarHBondContact OE2-N 2.8Å; E221-Q238 PolarHBondContact OE2-NE2 3.22Å; E221-V335 HydrophobicContact CG-CG1 4.04Å; E221-F336 PolarHBondContact N-O 3.18Å; E221-I337 HydrophobicContact CB-CD1 4.21Å; E221-I337 HydrophobicContact CB-CG1 3.98Å; E221-I337 HydrophobicContact CB-CG2 4.36Å; E221-I337 HydrophobicContact CG-CD1 4.25Å; E221-I337 HydrophobicContact CG-CG1 4.3Å
222	C	97.8	Very high	94.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.279	C	S	.	.			trans	-68.1	141.5	164.6	-71.6	0	0	0	0	110.4	C194 C226 C228 N234 R235 Q238	C194-C222 PolarHBondContact SG-SG 2.66Å; C222-C226 HydrophobicContact CB-CB 4.04Å; C222-C228 VanDerWaalsContact CB-SG 3.54Å; C222-N234 HydrophobicContact CB-CB 4.5Å; C222-N234 PolarHBondContact N-ND2 3.09Å; C222-N234 VanDerWaalsContact N-ND2 3.2Å; C222-N234 PolarHBondContact N-O 2.95Å; C222-R235 HydrophobicContact CB-CG 4Å; C222-R235 PolarHBondContact O-NH1 3.46Å; C222-Q238 PolarHBondContact O-NE2 3.36Å
223	N	96.9	Very high	94.7	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.027	26%	0.257	C	S	.	.			trans	-110.7	-179.3	-173.1	63.5	41	0	0	0	112.6	V177 V179 R225 C226 R235 I337	V177-N223 HydrophobicContact CG1-CB 3.73Å; V177-N223 VanDerWaalsContact CG1-ND2 3.27Å; V177-N223 WeakPolarHBondContact CG1-ND2 3.3Å; V179-N223 PolarHBondContact O-ND2 3.14Å; N223-R225 PolarHBondContact O-N 3.2Å; N223-R225 VanDerWaalsContact O-N 3.17Å; N223-R225 WeakPolarHBondContact OD1-CA 3.33Å; N223-R225 WeakPolarHBondContact OD1-CB 3.36Å; N223-R225 PolarHBondContact OD1-N 3.15Å; N223-C226 PolarHBondContact N-SG 2.79Å; N223-C226 WeakPolarHBondContact O-CB 3.36Å; N223-C226 PolarHBondContact O-N 3.02Å; N223-C226 VanDerWaalsContact O-N 3.1Å; N223-C226 PolarHBondContact OD1-N 3.48Å; N223-C226 PolarHBondContact OD1-SG 2.82Å; N223-R235 PolarHBondContact O-NH1 2.96Å; N223-R235 VanDerWaalsContact O-NH1 3.16Å; N223-R235 PolarHBondContact O-NH2 2.66Å; N223-I337 HydrophobicContact CB-CG2 4.35Å; N223-I337 WeakPolarHBondContact CB-O 3.22Å
224	S	95.8	Very high	94.9	Very high	74 Å²	74	50.1 Å²	50.1	52%	0.517	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.8	179.7	56.5	0	0	0	0	114.9	D338	S224-D338 WeakPolarHBondContact CB-OD1 3.21Å; S224-D338 PolarHBondContact N-OD1 3.46Å; S224-D338 PolarHBondContact OG-OD1 3.04Å
225	R	96.1	Very high	95.2	Very high	145 Å²	145	44.2 Å²	44.2	55%	0.547	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.7	175.9	-56.6	-62.1	-178.6	-178	-4.5	113.6	V177 N223	V177-R225 HydrophobicContact CG1-CG 4.31Å; V177-R225 WeakPolarHBondContact O-CG 3.39Å; N223-R225 PolarHBondContact O-N 3.2Å; N223-R225 VanDerWaalsContact O-N 3.17Å; N223-R225 WeakPolarHBondContact OD1-CA 3.33Å; N223-R225 WeakPolarHBondContact OD1-CB 3.36Å; N223-R225 PolarHBondContact OD1-N 3.15Å
226	C	96.6	Very high	95.6	Very high	14 Å²	14	44.5 Å²	44.5	10%	0.095	23%	0.23	C	C	.	.			trans	-75.7	145.5	-179.9	-61.4	0	0	0	0	111.7	G180 C181 C195 C222 N223 C228	G180-C226 WeakPolarHBondContact CA-SG 3.33Å; C181-C226 PolarHBondContact N-SG 3.4Å; C181-C226 WeakPolarHBondContact O-CA 3.39Å; C195-C226 PolarHBondContact SG-SG 2.94Å; C222-C226 HydrophobicContact CB-CB 4.04Å; N223-C226 PolarHBondContact N-SG 2.79Å; N223-C226 WeakPolarHBondContact O-CB 3.36Å; N223-C226 PolarHBondContact O-N 3.02Å; N223-C226 VanDerWaalsContact O-N 3.1Å; N223-C226 PolarHBondContact OD1-N 3.48Å; N223-C226 PolarHBondContact OD1-SG 2.82Å; C226-C228 VanDerWaalsContact C-N 3.3Å; C226-C228 PolarHBondContact O-N 2.81Å
227	R	95.2	Very high	96.2	Very high	187 Å²	187	43.7 Å²	43.7	71%	0.706	22%	0.222	S	C	*	.	S	Bend	trans	-71.9	-23.8	177.6	-159.6	-179.1	-168.4	-161.6	3.3	113.5	C181	C181-R227 PolarHBondContact O-N 3.25Å
228	C	95.8	Very high	96.5	Very high	15 Å²	15	43.5 Å²	43.5	10%	0.101	22%	0.219	C	C	.	.	S	Bend	trans	-68.3	138.4	179.9	63.9	0	0	0	0	111.7	C186 C222 C226 C232 R235	C186-C228 VanDerWaalsContact SG-CB 3.59Å; C186-C228 VanDerWaalsContact SG-SG 3.67Å; C222-C228 VanDerWaalsContact CB-SG 3.54Å; C226-C228 VanDerWaalsContact C-N 3.3Å; C226-C228 PolarHBondContact O-N 2.81Å; C228-C232 HydrophobicContact CB-CB 3.96Å; C228-R235 PolarHBondContact O-NE 2.76Å; C228-R235 PolarHBondContact O-NH2 2.74Å
229	G	95.4	Very high	96.6	Very high	52 Å²	52	45.2 Å²	45.2	54%	0.536	23%	0.227	S	C	.	.			trans	-72.6	-176.7	-177.7	0	0	0	0	0	114.2	D231 C232 R235	G229-D231 VanDerWaalsContact C-N 3.26Å; G229-D231 PolarHBondContact O-N 3.45Å; G229-C232 WeakPolarHBondContact O-CB 3.41Å; G229-C232 PolarHBondContact O-N 3.04Å; G229-C232 VanDerWaalsContact O-N 3.14Å; G229-R235 VanDerWaalsContact O-CD 3.31Å; G229-R235 WeakPolarHBondContact O-CD 3.49Å; G229-R235 PolarHBondContact O-NE 3.28Å; G229-R235 VanDerWaalsContact O-NE 3.15Å
230	Y	93.7	Very high	96.6	Very high	124 Å²	124	46 Å²	46	49%	0.486	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.9	180	179.3	-99.5	0	0	0	113.2	C232 K239 R242	Y230-C232 PolarHBondContact O-N 3.32Å; Y230-K239 HydrophobicContact CE1-CD 4.35Å; Y230-K239 HydrophobicContact CE1-CG 4.28Å; Y230-K239 HydrophobicContact CE2-CG 4.03Å; Y230-K239 WeakPolarHBondContact O-CE 3.45Å; Y230-K239 PolarHBondContact O-NZ 2.78Å; Y230-R242 PolarHBondContact OH-NH1 3.34Å; Y230-R242 VanDerWaalsContact OH-NH1 3.08Å
231	D	94.6	Very high	96.7	Very high	135 Å²	135	45.7 Å²	45.7	72%	0.722	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	2.2	-177.8	-62.8	-44.7	0	0	0	114.3	G229	G229-D231 VanDerWaalsContact C-N 3.26Å; G229-D231 PolarHBondContact O-N 3.45Å
232	C	96.5	Very high	96.6	Very high	10 Å²	10	50.6 Å²	50.6	7%	0.068	25%	0.252	C	S	.	.			trans	-48.5	131.5	174.9	175.6	0	0	0	0	111.3	C228 G229 Y230 N234 R235 K239	C228-C232 HydrophobicContact CB-CB 3.96Å; G229-C232 WeakPolarHBondContact O-CB 3.41Å; G229-C232 PolarHBondContact O-N 3.04Å; G229-C232 VanDerWaalsContact O-N 3.14Å; Y230-C232 PolarHBondContact O-N 3.32Å; C232-N234 PolarHBondContact O-N 2.78Å; C232-N234 PolarHBondContact SG-N 3.04Å; C232-R235 HydrophobicContact CB-CB 4.33Å; C232-R235 HydrophobicContact CB-CG 3.79Å; C232-R235 WeakPolarHBondContact O-CB 3.39Å; C232-R235 PolarHBondContact O-N 3.16Å; C232-K239 PolarHBondContact O-NZ 3.19Å
233	P	96.2	Very high	96.7	Very high	43 Å²	43	52.3 Å²	52.3	28%	0.279	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.5	175.8	-25.5	35.5	0	0	0	113.7	L187 F203 Y205 R235 V236	L187-P233 HydrophobicContact CB-CB 4.09Å; L187-P233 HydrophobicContact CB-CG 3.95Å; L187-P233 HydrophobicContact CD2-CB 4.07Å; L187-P233 HydrophobicContact CD2-CG 4.11Å; F203-P233 HydrophobicContact CZ-CB 4.42Å; Y205-P233 WeakPolarHBondContact CD2-O 3.47Å; P233-R235 VanDerWaalsContact C-N 3.27Å; P233-R235 PolarHBondContact O-N 3.14Å; P233-V236 WeakPolarHBondContact O-CG2 3.19Å
234	N	97.5	Very high	96.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	24.5	173.3	-154.2	35.2	0	0	0	113.7	C186 F203 Y220 E221 C222 C232	C186-N234 HydrophobicContact CB-CB 4.49Å; F203-N234 HydrophobicContact CE2-CB 3.54Å; F203-N234 HydrophobicContact CZ-CB 3.52Å; Y220-N234 PolarHBondContact O-ND2 3.39Å; E221-N234 WeakPolarHBondContact CA-ND2 3.4Å; E221-N234 WeakPolarHBondContact CA-O 3.31Å; E221-N234 VanDerWaalsContact CB-O 3.28Å; E221-N234 WeakPolarHBondContact CB-O 3.44Å; C222-N234 HydrophobicContact CB-CB 4.5Å; C222-N234 PolarHBondContact N-ND2 3.09Å; C222-N234 VanDerWaalsContact N-ND2 3.2Å; C222-N234 PolarHBondContact N-O 2.95Å; C232-N234 PolarHBondContact O-N 2.78Å; C232-N234 PolarHBondContact SG-N 3.04Å
235	R	97.7	Very high	96.9	Very high	18 Å²	18	50 Å²	50	7%	0.068	24%	0.24	C	C	.	.			trans	-129.7	84.5	172.5	-63.8	-174.4	-175.9	-84.7	3.2	107.5	C222 N223 C228 G229 C232 P233 Q238 K239	C222-R235 HydrophobicContact CB-CG 4Å; C222-R235 PolarHBondContact O-NH1 3.46Å; N223-R235 PolarHBondContact O-NH1 2.96Å; N223-R235 VanDerWaalsContact O-NH1 3.16Å; N223-R235 PolarHBondContact O-NH2 2.66Å; C228-R235 PolarHBondContact O-NE 2.76Å; C228-R235 PolarHBondContact O-NH2 2.74Å; G229-R235 VanDerWaalsContact O-CD 3.31Å; G229-R235 WeakPolarHBondContact O-CD 3.49Å; G229-R235 PolarHBondContact O-NE 3.28Å; G229-R235 VanDerWaalsContact O-NE 3.15Å; C232-R235 HydrophobicContact CB-CB 4.33Å; C232-R235 HydrophobicContact CB-CG 3.79Å; C232-R235 WeakPolarHBondContact O-CB 3.39Å; C232-R235 PolarHBondContact O-N 3.16Å; P233-R235 VanDerWaalsContact C-N 3.27Å; P233-R235 PolarHBondContact O-N 3.14Å; R235-Q238 VanDerWaalsContact CB-CD 3.44Å; R235-Q238 HydrophobicContact CB-CG 3.74Å; R235-Q238 VanDerWaalsContact CD-OE1 3.27Å; R235-Q238 VanDerWaalsContact CG-CD 3.45Å; R235-Q238 HydrophobicContact CG-CG 4.32Å; R235-K239 WeakPolarHBondContact O-CD 3.45Å; R235-K239 WeakPolarHBondContact O-CE 3.19Å; R235-K239 WeakPolarHBondContact O-CG 3.15Å; R235-K239 PolarHBondContact O-NZ 2.88Å
236	V	98.2	Very high	97	Very high	21 Å²	21	43 Å²	43	13%	0.127	21%	0.214	C	C	.	.	S	Bend	trans	-110	-58.1	-176	176.1	0	0	0	0	110	Y205 E221 P233 K239 F269	Y205-V236 HydrophobicContact CD1-CB 4.47Å; Y205-V236 HydrophobicContact CD1-CG2 4.03Å; Y205-V236 HydrophobicContact CD2-CB 4.34Å; Y205-V236 HydrophobicContact CD2-CG2 3.59Å; Y205-V236 HydrophobicContact CE1-CB 4.07Å; Y205-V236 HydrophobicContact CE1-CG1 4.38Å; Y205-V236 HydrophobicContact CE1-CG2 4.11Å; Y205-V236 HydrophobicContact CE2-CB 3.87Å; Y205-V236 HydrophobicContact CE2-CG2 3.63Å; Y205-V236 HydrophobicContact CG-CG2 3.76Å; E221-V236 WeakPolarHBondContact OE1-CA 3.3Å; E221-V236 WeakPolarHBondContact OE1-CB 3.25Å; E221-V236 PolarHBondContact OE1-N 2.95Å; E221-V236 PolarHBondContact OE2-N 3.11Å; P233-V236 WeakPolarHBondContact O-CG2 3.19Å; V236-K239 WeakPolarHBondContact O-CB 3.34Å; V236-K239 PolarHBondContact O-N 3.49Å; V236-K239 VanDerWaalsContact O-N 3.16Å; V236-F269 HydrophobicContact CG1-CB 3.69Å; V236-F269 HydrophobicContact CG1-CG 4.38Å
237	V	98.2	Very high	97.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.1	-45.2	-177.3	174.7	0	0	0	0	110.4	E221 K239 G240 F269 E272 V335 A348 F350	E221-V237 PolarHBondContact OE1-N 2.85Å; E221-V237 PolarHBondContact OE2-N 2.96Å; V237-K239 PolarHBondContact O-N 2.91Å; V237-G240 PolarHBondContact O-N 2.81Å; V237-F269 HydrophobicContact CB-CD2 4.44Å; V237-F269 HydrophobicContact CB-CE2 4.21Å; V237-F269 HydrophobicContact CB-CZ 4.37Å; V237-F269 HydrophobicContact CG1-CE2 3.84Å; V237-F269 HydrophobicContact CG1-CZ 3.96Å; V237-F269 HydrophobicContact CG2-CD2 3.8Å; V237-F269 HydrophobicContact CG2-CE2 3.97Å; V237-F269 HydrophobicContact CG2-CG 4.27Å; V237-E272 VanDerWaalsContact CG1-CD 3.49Å; V237-E272 HydrophobicContact CG1-CG 3.72Å; V237-V335 HydrophobicContact CB-CG1 4.34Å; V237-V335 HydrophobicContact CG2-CG1 4.21Å; V237-V335 HydrophobicContact CG2-CG2 4.18Å; V237-A348 HydrophobicContact CG1-CB 4.17Å; V237-A348 HydrophobicContact CG2-CB 3.95Å; V237-F350 HydrophobicContact CG2-CE2 4.12Å; V237-F350 HydrophobicContact CG2-CZ 3.91Å
238	Q	97.2	Very high	97.3	Very high	52 Å²	52	34.9 Å²	34.9	24%	0.243	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-62.9	-12.5	177.8	68.8	-167.9	-96	0	0	114.7	E221 C222 R235 G240 I337	E221-Q238 WeakPolarHBondContact OE2-CG 3.24Å; E221-Q238 PolarHBondContact OE2-N 2.8Å; E221-Q238 PolarHBondContact OE2-NE2 3.22Å; C222-Q238 PolarHBondContact O-NE2 3.36Å; R235-Q238 VanDerWaalsContact CB-CD 3.44Å; R235-Q238 HydrophobicContact CB-CG 3.74Å; R235-Q238 VanDerWaalsContact CD-OE1 3.27Å; R235-Q238 VanDerWaalsContact CG-CD 3.45Å; R235-Q238 HydrophobicContact CG-CG 4.32Å; Q238-G240 PolarHBondContact O-N 2.74Å; Q238-I337 HydrophobicContact CB-CD1 3.97Å
239	K	97	Very high	97.4	Very high	40 Å²	40	36.1 Å²	36.1	17%	0.174	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-78.8	-7.2	173.4	-66.8	-178.5	173.4	140.6	0	112.9	Y230 C232 R235 V236 V237 R242	Y230-K239 HydrophobicContact CE1-CD 4.35Å; Y230-K239 HydrophobicContact CE1-CG 4.28Å; Y230-K239 HydrophobicContact CE2-CG 4.03Å; Y230-K239 WeakPolarHBondContact O-CE 3.45Å; Y230-K239 PolarHBondContact O-NZ 2.78Å; C232-K239 PolarHBondContact O-NZ 3.19Å; R235-K239 WeakPolarHBondContact O-CD 3.45Å; R235-K239 WeakPolarHBondContact O-CE 3.19Å; R235-K239 WeakPolarHBondContact O-CG 3.15Å; R235-K239 PolarHBondContact O-NZ 2.88Å; V236-K239 WeakPolarHBondContact O-CB 3.34Å; V236-K239 PolarHBondContact O-N 3.49Å; V236-K239 VanDerWaalsContact O-N 3.16Å; V237-K239 PolarHBondContact O-N 2.91Å; K239-R242 PolarHBondContact O-NH1 2.72Å
240	G	97.4	Very high	97.5	Very high	16 Å²	16	33.8 Å²	33.8	17%	0.165	16%	0.16	C	C	.	.			trans	68.7	-178.9	178	0	0	0	0	0	113.7	V237 Q238 R242	V237-G240 PolarHBondContact O-N 2.81Å; Q238-G240 PolarHBondContact O-N 2.74Å; G240-R242 PolarHBondContact O-N 2.8Å
241	I	98.1	Very high	97.6	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	17%	0.173	C	C	.	.			trans	-61.1	124.9	-177.9	-52.8	178.8	0	0	0	110.5	H141 L142 G143 L245 M271 I318	H141-I241 HydrophobicContact CB-CB 4.18Å; H141-I241 WeakPolarHBondContact CB-O 3.45Å; L142-I241 PolarHBondContact N-O 3.06Å; G143-I241 PolarHBondContact N-O 2.77Å; I241-L245 HydrophobicContact CD1-CD1 4.34Å; I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.33Å; I241-M271 HydrophobicContact CD1-CB 3.59Å; I241-M271 HydrophobicContact CG1-CB 3.8Å; I241-I318 HydrophobicContact CD1-CG2 3.58Å
242	R	97.3	Very high	97.5	Very high	105 Å²	105	30.7 Å²	30.7	40%	0.396	15%	0.152	S	C	.	.			trans	-100.5	-16.6	179	-56.6	-58.5	-117.3	-157.8	2.6	114.2	Y230 K239 G240	Y230-R242 PolarHBondContact OH-NH1 3.34Å; Y230-R242 VanDerWaalsContact OH-NH1 3.08Å; K239-R242 PolarHBondContact O-NH1 2.72Å; G240-R242 PolarHBondContact O-N 2.8Å
243	Y	98.4	Very high	97.4	Very high	36 Å²	36	33.1 Å²	33.1	14%	0.141	18%	0.179	C	C	.	.	S	Bend	trans	-96.4	145.6	-174.4	-46.8	-69.3	0	0	0	112.2	G143 L245 E262 I264 S268 F269	G143-Y243 CarbonylContact C-O 3.58Å; G143-Y243 WeakPolarHBondContact CA-O 3.42Å; Y243-L245 PolarHBondContact O-N 3.42Å; Y243-E262 VanDerWaalsContact CA-OE1 3.31Å; Y243-E262 WeakPolarHBondContact CA-OE1 3.21Å; Y243-E262 HydrophobicContact CD1-CG 3.89Å; Y243-E262 HydrophobicContact CG-CG 4.34Å; Y243-I264 HydrophobicContact CD1-CG1 4Å; Y243-I264 HydrophobicContact CD2-CD1 3.78Å; Y243-I264 HydrophobicContact CD2-CG1 3.92Å; Y243-I264 HydrophobicContact CE1-CG1 4.06Å; Y243-I264 HydrophobicContact CE2-CD1 4.05Å; Y243-I264 HydrophobicContact CE2-CG1 3.97Å; Y243-I264 HydrophobicContact CE2-CG2 4.01Å; Y243-I264 HydrophobicContact CG-CD1 4.1Å; Y243-I264 HydrophobicContact CG-CG1 3.94Å; Y243-S268 VanDerWaalsContact OH-CB 3.3Å; Y243-S268 WeakPolarHBondContact OH-CB 3.49Å; Y243-F269 VanDerWaalsContact CE2-O 3.22Å; Y243-F269 WeakPolarHBondContact CE2-O 3.47Å
244	D	98.7	Very high	97.2	Very high	29 Å²	29	33.9 Å²	33.9	16%	0.155	18%	0.176	C	C	.	.			trans	-69.3	122.8	165.1	-76.8	-3.3	0	0	0	109.5	R144 L261 E262	R144-D244 VanDerWaalsContact CB-OD1 3.25Å; R144-D244 WeakPolarHBondContact CB-OD1 3.34Å; R144-D244 WeakPolarHBondContact CG-OD1 3.43Å; R144-D244 IonicContact CZ-OD2 3.27Å; R144-D244 PolarHBondContact N-OD1 3.34Å; R144-D244 IonicContact NE-OD1 3.34Å; R144-D244 IonicContact NE-OD2 2.72Å; R144-D244 PolarHBondContact NE-OD2 3.07Å; R144-D244 IonicContact NH2-OD2 2.67Å; R144-D244 PolarHBondContact NH2-OD2 3.49Å; R144-D244 CarbonylContact O-C 3.45Å; R144-D244 WeakPolarHBondContact O-CA 3.49Å; D244-L261 HydrophobicContact CB-CB 4.08Å; D244-L261 HydrophobicContact CB-CD1 4.16Å; D244-L261 WeakPolarHBondContact O-CB 3.4Å; D244-L261 PolarHBondContact O-N 3.02Å; D244-E262 PolarHBondContact N-OE1 3.48Å
245	L	98.8	Very high	97.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.7	-177.5	-60.3	-178	0	0	0	110.6	R144 I145 T146 I241 Y243 V258 R259 M271 I318 L361	R144-L245 PolarHBondContact O-N 2.67Å; I145-L245 CarbonylContact C-O 3.57Å; I145-L245 WeakPolarHBondContact CA-O 3.16Å; T146-L245 PolarHBondContact N-O 3.46Å; T146-L245 PolarHBondContact OG1-O 3.42Å; I241-L245 HydrophobicContact CD1-CD1 4.34Å; I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.33Å; Y243-L245 PolarHBondContact O-N 3.42Å; L245-V258 HydrophobicContact CB-CG1 4.24Å; L245-V258 HydrophobicContact CD1-CG1 4.39Å; L245-R259 WeakPolarHBondContact CA-O 3.33Å; L245-M271 HydrophobicContact CD1-CE 3.64Å; L245-I318 HydrophobicContact CB-CD1 3.6Å; L245-I318 HydrophobicContact CD1-CD1 3.94Å; L245-I318 HydrophobicContact CD1-CG2 4.19Å; L245-I318 HydrophobicContact CG-CD1 4.43Å; L245-L361 HydrophobicContact CD2-CD1 3.87Å
246	C	98.8	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.2	179.5	-178.8	0	0	0	0	110.2	T146 F248 V258 R259 L261	T146-C246 CarbonylContact O-C 3.57Å; T146-C246 WeakPolarHBondContact O-CA 3.28Å; T146-C246 WeakPolarHBondContact OG1-CA 3.34Å; T146-C246 WeakPolarHBondContact OG1-CB 3.35Å; T146-C246 PolarHBondContact OG1-SG 2.82Å; T146-C246 VanDerWaalsContact OG1-SG 3.36Å; C246-F248 PolarHBondContact O-N 2.91Å; C246-V258 CarbonylContact O-C 3.54Å; C246-V258 WeakPolarHBondContact O-CA 3.2Å; C246-R259 HydrophobicContact CB-CG 3.81Å; C246-R259 PolarHBondContact N-O 2.58Å; C246-R259 PolarHBondContact O-N 2.96Å; C246-L261 HydrophobicContact CB-CD1 4.48Å; C246-L261 HydrophobicContact CB-CD2 3.84Å; C246-L261 HydrophobicContact CB-CG 4.18Å
247	I	98.8	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.3	162.6	-59.5	168.7	0	0	0	106.6	W131 L135 I145 T146 V147 E148 W256 G257 I318 F321	W131-I247 HydrophobicContact CH2-CD1 4.06Å; W131-I247 HydrophobicContact CH2-CG2 4.08Å; W131-I247 HydrophobicContact CZ2-CD1 4.27Å; W131-I247 HydrophobicContact CZ3-CG2 4.4Å; L135-I247 HydrophobicContact CD1-CD1 3.83Å; I145-I247 HydrophobicContact CG2-CD1 3.88Å; I145-I247 HydrophobicContact CG2-CG1 4.17Å; T146-I247 PolarHBondContact O-N 3.02Å; V147-I247 WeakPolarHBondContact CA-O 3.43Å; V147-I247 HydrophobicContact CG2-CB 4.46Å; E148-I247 PolarHBondContact N-O 3.5Å; I247-W256 HydrophobicContact CG2-CB 4.33Å; I247-W256 HydrophobicContact CG2-CD2 4.25Å; I247-W256 HydrophobicContact CG2-CE3 3.73Å; I247-W256 HydrophobicContact CG2-CZ3 4.4Å; I247-G257 CarbonylContact C-O 3.58Å; I247-G257 WeakPolarHBondContact CA-O 3.18Å; I247-I318 HydrophobicContact CD1-CD1 4.49Å; I247-I318 HydrophobicContact CD1-CG1 4.21Å; I247-I318 HydrophobicContact CG1-CD1 3.99Å; I247-I318 HydrophobicContact CG1-CG1 3.91Å; I247-F321 HydrophobicContact CD1-CD2 3.64Å; I247-F321 HydrophobicContact CD1-CE2 3.72Å; I247-F321 HydrophobicContact CD1-CG 4.34Å; I247-F321 HydrophobicContact CD1-CZ 4.47Å; I247-F321 HydrophobicContact CG1-CD2 4.06Å; I247-F321 HydrophobicContact CG1-CG 4.41Å; I247-F321 HydrophobicContact CG2-CB 4.37Å; I247-F321 HydrophobicContact CG2-CD1 4.2Å; I247-F321 HydrophobicContact CG2-CD2 4.43Å; I247-F321 HydrophobicContact CG2-CG 4.07Å
248	F	98.7	Very high	97.1	Very high	30 Å²	30	34.1 Å²	34.1	13%	0.132	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.9	-176.4	78.6	-77.8	0	0	0	111.9	E148 C246 T250 W256 G257 R259 E360	E148-F248 CarbonylContact O-C 2.99Å; E148-F248 VanDerWaalsContact O-CA 3.22Å; E148-F248 WeakPolarHBondContact O-CA 3.45Å; C246-F248 PolarHBondContact O-N 2.91Å; F248-T250 HydrophobicContact CE2-CG2 4.02Å; F248-T250 HydrophobicContact CZ-CG2 4.14Å; F248-W256 VanDerWaalsContact C-CE3 3.5Å; F248-W256 CarbonylContact O-C 3.45Å; F248-W256 WeakPolarHBondContact O-CA 3.46Å; F248-G257 WeakPolarHBondContact CD1-O 3.35Å; F248-G257 PolarHBondContact N-O 2.94Å; F248-G257 PolarHBondContact O-N 2.81Å; F248-R259 HydrophobicContact CD1-CB 3.99Å; F248-R259 HydrophobicContact CD1-CG 3.74Å; F248-R259 HydrophobicContact CE1-CB 3.86Å; F248-R259 HydrophobicContact CE1-CG 4.12Å; F248-R259 HydrophobicContact CG-CG 4.43Å; F248-E360 HydrophobicContact CE1-CB 4.21Å; F248-E360 HydrophobicContact CE1-CG 3.9Å; F248-E360 HydrophobicContact CZ-CB 4.05Å; F248-E360 HydrophobicContact CZ-CG 3.86Å
249	R	98.2	Very high	97.2	Very high	41 Å²	41	34.5 Å²	34.5	16%	0.155	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.9	173.8	-167.6	71	177.4	-177.4	-9	110.5	E148 N149 V151 D152 D154 G255 W256	E148-R249 PolarHBondContact O-N 2.82Å; N149-R249 HydrophobicContact CB-CB 3.94Å; N149-R249 VanDerWaalsContact CG-CB 3.41Å; N149-R249 WeakPolarHBondContact OD1-CB 3.48Å; V151-R249 HydrophobicContact CB-CB 4.31Å; V151-R249 HydrophobicContact CB-CG 3.91Å; V151-R249 HydrophobicContact CG2-CB 4.26Å; V151-R249 HydrophobicContact CG2-CG 4.27Å; V151-R249 VanDerWaalsContact CG2-O 3.32Å; V151-R249 WeakPolarHBondContact CG2-O 3.45Å; D152-R249 IonicContact OD1-NE 2.67Å; D152-R249 IonicContact OD2-CZ 2.71Å; D152-R249 VanDerWaalsContact OD2-CZ 3.24Å; D152-R249 IonicContact OD2-NE 2.81Å; D152-R249 PolarHBondContact OD2-NE 3.05Å; D152-R249 IonicContact OD2-NH2 3.13Å; D152-R249 PolarHBondContact OD2-NH2 3.31Å; D154-R249 IonicContact OD2-CZ 3.87Å; D154-R249 IonicContact OD2-NH1 3.72Å; D154-R249 PolarHBondContact OD2-NH1 2.86Å; D154-R249 IonicContact OD2-NH2 3.84Å; D154-R249 PolarHBondContact OD2-NH2 2.86Å; R249-G255 WeakPolarHBondContact CD-O 3.3Å; R249-W256 HydrophobicContact CB-CE3 4.26Å; R249-W256 HydrophobicContact CB-CZ3 4.14Å
250	T	97.4	Very high	97.2	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.17	C	C	.	.			trans	-74.3	150.6	174.2	80.1	0	0	0	0	110.6	F248 D252 R254 G255	F248-T250 HydrophobicContact CE2-CG2 4.02Å; F248-T250 HydrophobicContact CZ-CG2 4.14Å; T250-D252 VanDerWaalsContact CB-OD1 3.25Å; T250-D252 WeakPolarHBondContact CB-OD1 3.45Å; T250-D252 PolarHBondContact OG1-OD1 3.41Å; T250-R254 HydrophobicContact CG2-CB 4.31Å; T250-R254 PolarHBondContact OG1-N 2.9Å; T250-G255 PolarHBondContact N-O 3.45Å; T250-G255 PolarHBondContact OG1-N 3.25Å; T250-G255 PolarHBondContact OG1-O 3.29Å
251	D	95.3	Very high	97.3	Very high	142 Å²	142	35 Å²	35	76%	0.759	18%	0.179	S	C	*	.	S	Bend	trans	-95.5	-3.6	-178.9	60.1	-5.3	0	0	0	114.1	V151	V151-D251 HydrophobicContact CG1-CB 4.2Å; V151-D251 HydrophobicContact CG2-CB 3.95Å
252	D	94.2	Very high	97.3	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.273	19%	0.194	S	C	.	.	S	Bend	trans	-99.3	2.3	-179.8	57.9	15.8	0	0	0	114.1	T250 R254 K401	T250-D252 VanDerWaalsContact CB-OD1 3.25Å; T250-D252 WeakPolarHBondContact CB-OD1 3.45Å; T250-D252 PolarHBondContact OG1-OD1 3.41Å; D252-R254 VanDerWaalsContact CG-NE 3.34Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 WeakPolarHBondContact OD1-CG 3.25Å; D252-R254 PolarHBondContact OD1-N 3.04Å; D252-R254 IonicContact OD1-NE 3.54Å; D252-R254 PolarHBondContact OD1-NE 3.46Å; D252-R254 IonicContact OD1-NH2 2.69Å; D252-R254 IonicContact OD2-CZ 3.92Å; D252-R254 IonicContact OD2-NE 2.86Å; D252-R254 PolarHBondContact OD2-NE 2.98Å; D252-R254 IonicContact OD2-NH2 3.94Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å; D252-K401 VanDerWaalsContact O-CD 3.3Å; D252-K401 WeakPolarHBondContact O-CD 3.28Å; D252-K401 PolarHBondContact O-NZ 3.5Å
253	G	92.5	Very high	97.4	Very high	61 Å²	61	40 Å²	40	63%	0.629	20%	0.204	S	C	*	.	S	Bend	trans	81.9	14.1	178.4	0	0	0	0	0	115.1	G255	G253-G255 PolarHBondContact O-N 3.33Å
254	R	93.6	Very high	97.4	Very high	59 Å²	59	38.3 Å²	38.3	22%	0.223	20%	0.198	C	C	.	.			trans	-71.6	-11.8	167	-68.6	-176.6	-73.3	131.8	6.7	113.4	T250 D252 E360 K401	T250-R254 HydrophobicContact CG2-CB 4.31Å; T250-R254 PolarHBondContact OG1-N 2.9Å; D252-R254 VanDerWaalsContact CG-NE 3.34Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 WeakPolarHBondContact OD1-CG 3.25Å; D252-R254 PolarHBondContact OD1-N 3.04Å; D252-R254 IonicContact OD1-NE 3.54Å; D252-R254 PolarHBondContact OD1-NE 3.46Å; D252-R254 IonicContact OD1-NH2 2.69Å; D252-R254 IonicContact OD2-CZ 3.92Å; D252-R254 IonicContact OD2-NE 2.86Å; D252-R254 PolarHBondContact OD2-NE 2.98Å; D252-R254 IonicContact OD2-NH2 3.94Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å; R254-E360 IonicContact CZ-OE1 2.7Å; R254-E360 IonicContact CZ-OE2 2.72Å; R254-E360 VanDerWaalsContact NH1-CD 3.29Å; R254-E360 IonicContact NH1-OE1 3.45Å; R254-E360 PolarHBondContact NH1-OE1 3.22Å; R254-E360 IonicContact NH1-OE2 3.28Å; R254-E360 PolarHBondContact NH1-OE2 2.7Å; R254-E360 IonicContact NH2-OE1 2.69Å; R254-E360 IonicContact NH2-OE2 2.74Å; R254-E360 PolarHBondContact NH2-OE2 2.9Å; R254-K401 HydrophobicContact CG-CB 3.93Å; R254-K401 PolarHBondContact NE-O 3.23Å
255	G	94.5	Very high	97.4	Very high	14 Å²	14	43.8 Å²	43.8	14%	0.144	22%	0.216	C	C	.	.			trans	95.9	-126.9	174.1	0	0	0	0	0	111.5	R249 T250 G253	R249-G255 WeakPolarHBondContact CD-O 3.3Å; T250-G255 PolarHBondContact N-O 3.45Å; T250-G255 PolarHBondContact OG1-N 3.25Å; T250-G255 PolarHBondContact OG1-O 3.29Å; G253-G255 PolarHBondContact O-N 3.33Å
256	W	97.2	Very high	97.4	Very high	31 Å²	31	48.9 Å²	48.9	12%	0.117	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	144.9	174.7	-66.2	104.1	0	0	0	110	L128 V147 N149 G155 I247 F248 R249 F321 N323	L128-W256 HydrophobicContact CD1-CH2 4.41Å; L128-W256 HydrophobicContact CD2-CH2 3.67Å; L128-W256 HydrophobicContact CD2-CZ2 4.14Å; V147-W256 HydrophobicContact CG1-CH2 4.36Å; V147-W256 HydrophobicContact CG1-CZ3 4.2Å; N149-W256 HydrophobicContact CB-CH2 3.74Å; N149-W256 HydrophobicContact CB-CZ3 4.08Å; G155-W256 WeakPolarHBondContact O-CZ2 3.23Å; I247-W256 HydrophobicContact CG2-CB 4.33Å; I247-W256 HydrophobicContact CG2-CD2 4.25Å; I247-W256 HydrophobicContact CG2-CE3 3.73Å; I247-W256 HydrophobicContact CG2-CZ3 4.4Å; F248-W256 VanDerWaalsContact C-CE3 3.5Å; F248-W256 CarbonylContact O-C 3.45Å; F248-W256 WeakPolarHBondContact O-CA 3.46Å; R249-W256 HydrophobicContact CB-CE3 4.26Å; R249-W256 HydrophobicContact CB-CZ3 4.14Å; W256-F321 HydrophobicContact CB-CB 4.47Å; W256-F321 HydrophobicContact CB-CD1 3.69Å; W256-F321 HydrophobicContact CB-CE1 4.47Å; W256-F321 HydrophobicContact CB-CG 4.49Å; W256-F321 HydrophobicContact CG-CD1 4.22Å; W256-N323 PolarHBondContact O-ND2 2.77Å; W256-N323 PolarHBondContact O-OD1 3.33Å
257	G	98	Very high	97.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	170.1	174.1	0	0	0	0	0	110.5	I247 F248 F321 N323	I247-G257 CarbonylContact C-O 3.58Å; I247-G257 WeakPolarHBondContact CA-O 3.18Å; F248-G257 WeakPolarHBondContact CD1-O 3.35Å; F248-G257 PolarHBondContact N-O 2.94Å; F248-G257 PolarHBondContact O-N 2.81Å; G257-F321 CarbonylContact C-O 3.54Å; G257-F321 WeakPolarHBondContact CA-O 3.37Å; G257-N323 WeakPolarHBondContact CA-ND2 3.32Å
258	V	98.8	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.8	171.4	-174.9	0	0	0	0	108.7	L245 C246 M271 I318 F321 V322 E360 L361	L245-V258 HydrophobicContact CB-CG1 4.24Å; L245-V258 HydrophobicContact CD1-CG1 4.39Å; C246-V258 CarbonylContact O-C 3.54Å; C246-V258 WeakPolarHBondContact O-CA 3.2Å; V258-M271 HydrophobicContact CG1-CE 4.37Å; V258-I318 HydrophobicContact CG1-CD1 3.91Å; V258-I318 HydrophobicContact CG1-CG1 4.08Å; V258-I318 HydrophobicContact CG2-CD1 4.5Å; V258-I318 HydrophobicContact CG2-CG1 3.86Å; V258-I318 WeakPolarHBondContact CG2-O 3.45Å; V258-F321 HydrophobicContact CG2-CB 3.64Å; V258-F321 PolarHBondContact N-O 3.48Å; V258-V322 HydrophobicContact CB-CG2 4.06Å; V258-V322 HydrophobicContact CG2-CG2 3.8Å; V258-E360 CarbonylContact O-C 3.46Å; V258-E360 WeakPolarHBondContact O-CA 3.28Å; V258-E360 WeakPolarHBondContact O-CG 3.44Å; V258-L361 HydrophobicContact CG1-CD1 3.99Å; V258-L361 PolarHBondContact O-N 2.91Å
259	R	98.8	Very high	97.3	Very high	59 Å²	59	50.9 Å²	50.9	22%	0.223	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.9	170	65.2	-177.2	-175.7	-173.1	-1.3	110.5	E148 L245 C246 F248 E359	E148-R259 IonicContact OE1-NH2 2.77Å; E148-R259 IonicContact OE2-CZ 3.7Å; E148-R259 IonicContact OE2-NH2 3.98Å; E148-R259 PolarHBondContact OE2-NH2 2.78Å; L245-R259 WeakPolarHBondContact CA-O 3.33Å; C246-R259 HydrophobicContact CB-CG 3.81Å; C246-R259 PolarHBondContact N-O 2.58Å; C246-R259 PolarHBondContact O-N 2.96Å; F248-R259 HydrophobicContact CD1-CB 3.99Å; F248-R259 HydrophobicContact CD1-CG 3.74Å; F248-R259 HydrophobicContact CE1-CB 3.86Å; F248-R259 HydrophobicContact CE1-CG 4.12Å; F248-R259 HydrophobicContact CG-CG 4.43Å; R259-E359 VanDerWaalsContact CA-O 3.26Å; R259-E359 WeakPolarHBondContact CA-O 3.49Å; R259-E359 WeakPolarHBondContact CB-O 3.49Å
260	T	98.8	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145.3	172.9	-176.8	0	0	0	0	111.3	E262 I264 I355 R356 G358 E359 L361	T260-E262 WeakPolarHBondContact CG2-O 3.32Å; T260-E262 PolarHBondContact OG1-N 3.01Å; T260-E262 PolarHBondContact OG1-O 3.41Å; T260-E262 VanDerWaalsContact OG1-O 3.05Å; T260-I264 HydrophobicContact CG2-CD1 4.04Å; T260-I264 HydrophobicContact CG2-CG1 4.28Å; T260-I355 HydrophobicContact CG2-CG2 3.78Å; T260-R356 WeakPolarHBondContact CG2-O 3.04Å; T260-G358 WeakPolarHBondContact O-CA 3.26Å; T260-G358 PolarHBondContact O-N 2.78Å; T260-E359 PolarHBondContact N-O 2.93Å; T260-L361 HydrophobicContact CG2-CD2 4.37Å
261	L	98.6	Very high	97.4	Very high	68 Å²	68	48.8 Å²	48.8	36%	0.356	24%	0.242	S	C	.	.	S	Bend	trans	-93	-1.2	174.5	-61.8	-175.2	0	0	0	112.9	T146 D244 C246	T146-L261 HydrophobicContact CG2-CD1 4.16Å; D244-L261 HydrophobicContact CB-CB 4.08Å; D244-L261 HydrophobicContact CB-CD1 4.16Å; D244-L261 WeakPolarHBondContact O-CB 3.4Å; D244-L261 PolarHBondContact O-N 3.02Å; C246-L261 HydrophobicContact CB-CD1 4.48Å; C246-L261 HydrophobicContact CB-CD2 3.84Å; C246-L261 HydrophobicContact CB-CG 4.18Å
262	E	98.2	Very high	97.5	Very high	74 Å²	74	42.9 Å²	42.9	35%	0.346	21%	0.21	S	C	.	.	S	Bend	trans	-141.1	174.5	-177.8	61.3	-173	98.9	0	0	111.4	Y243 D244 T260	Y243-E262 VanDerWaalsContact CA-OE1 3.31Å; Y243-E262 WeakPolarHBondContact CA-OE1 3.21Å; Y243-E262 HydrophobicContact CD1-CG 3.89Å; Y243-E262 HydrophobicContact CG-CG 4.34Å; D244-E262 PolarHBondContact N-OE1 3.48Å; T260-E262 WeakPolarHBondContact CG2-O 3.32Å; T260-E262 PolarHBondContact OG1-N 3.01Å; T260-E262 PolarHBondContact OG1-O 3.41Å; T260-E262 VanDerWaalsContact OG1-O 3.05Å
263	K	98.6	Very high	97.7	Very high	141 Å²	141	40.6 Å²	40.6	61%	0.613	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-79.3	124.7	178.8	-179.6	-174.9	179.3	-179.3	0	109.8	T354 I355	K263-T354 HydrophobicContact CD-CG2 4.3Å; K263-T354 HydrophobicContact CG-CG2 4.04Å; K263-I355 WeakPolarHBondContact CA-O 3.09Å
264	I	98.7	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-101.3	127.1	171.1	-57	174.6	0	0	0	108.6	Y243 T260 V270 A351 T354 I355 L361	Y243-I264 HydrophobicContact CD1-CG1 4Å; Y243-I264 HydrophobicContact CD2-CD1 3.78Å; Y243-I264 HydrophobicContact CD2-CG1 3.92Å; Y243-I264 HydrophobicContact CE1-CG1 4.06Å; Y243-I264 HydrophobicContact CE2-CD1 4.05Å; Y243-I264 HydrophobicContact CE2-CG1 3.97Å; Y243-I264 HydrophobicContact CE2-CG2 4.01Å; Y243-I264 HydrophobicContact CG-CD1 4.1Å; Y243-I264 HydrophobicContact CG-CG1 3.94Å; T260-I264 HydrophobicContact CG2-CD1 4.04Å; T260-I264 HydrophobicContact CG2-CG1 4.28Å; I264-V270 HydrophobicContact CD1-CG1 4.07Å; I264-V270 HydrophobicContact CD1-CG2 4.23Å; I264-V270 HydrophobicContact CG2-CG2 4.06Å; I264-A351 HydrophobicContact CG2-CB 3.91Å; I264-T354 CarbonylContact O-C 3.52Å; I264-T354 WeakPolarHBondContact O-CA 3.01Å; I264-I355 HydrophobicContact CB-CB 4.16Å; I264-I355 PolarHBondContact N-O 3.1Å; I264-I355 PolarHBondContact O-N 3.15Å; I264-L361 HydrophobicContact CD1-CD2 4.29Å
265	R	98.5	Very high	98.1	Very high	144 Å²	144	35 Å²	35	54%	0.543	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-74.8	149.6	177.9	-62.4	-179.6	-176.2	177.6	2.6	110.2	S268	R265-S268 WeakPolarHBondContact CB-OG 3.36Å; R265-S268 VanDerWaalsContact O-CB 3.31Å; R265-S268 WeakPolarHBondContact O-CB 3.39Å; R265-S268 PolarHBondContact O-N 3.45Å; R265-S268 PolarHBondContact O-OG 3.2Å
266	K	98.4	Very high	98.2	Very high	109 Å²	109	35.4 Å²	35.4	47%	0.474	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	142.8	169.9	177.1	167	179.7	170.3	0	111	Q210 S268 T352 R353 T354	Q210-K266 PolarHBondContact NE2-O 3.03Å; K266-S268 PolarHBondContact O-N 2.92Å; K266-T352 WeakPolarHBondContact CD-O 3.34Å; K266-T352 WeakPolarHBondContact CE-O 3.24Å; K266-T352 WeakPolarHBondContact CG-O 3.5Å; K266-R353 WeakPolarHBondContact CA-O 3.34Å; K266-T354 PolarHBondContact N-OG1 3.27Å
267	N	98.3	Very high	98.2	Very high	48 Å²	48	34 Å²	34	26%	0.257	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	17.4	178	-63.8	6.9	0	0	0	114.9	Q210 V211 F350 A351	Q210-N267 CarbonylContact C-O 3.6Å; Q210-N267 WeakPolarHBondContact CA-O 3.41Å; Q210-N267 HydrophobicContact CB-CB 3.99Å; V211-N267 HydrophobicContact CG1-CB 3.85Å; V211-N267 PolarHBondContact N-O 2.82Å; V211-N267 VanDerWaalsContact O-CB 3.28Å; V211-N267 WeakPolarHBondContact O-CB 3.06Å; V211-N267 PolarHBondContact O-ND2 2.77Å; N267-F350 WeakPolarHBondContact O-CD1 3.42Å; N267-A351 WeakPolarHBondContact CA-O 3.44Å; N267-A351 PolarHBondContact N-O 3.19Å
268	S	98.6	Very high	98.1	Very high	11 Å²	11	34.3 Å²	34.3	8%	0.077	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-89.6	142.6	177.1	-46.8	0	0	0	0	110.6	Y243 R265 K266 F350 A351	Y243-S268 VanDerWaalsContact OH-CB 3.3Å; Y243-S268 WeakPolarHBondContact OH-CB 3.49Å; R265-S268 WeakPolarHBondContact CB-OG 3.36Å; R265-S268 VanDerWaalsContact O-CB 3.31Å; R265-S268 WeakPolarHBondContact O-CB 3.39Å; R265-S268 PolarHBondContact O-N 3.45Å; R265-S268 PolarHBondContact O-OG 3.2Å; K266-S268 PolarHBondContact O-N 2.92Å; S268-F350 VanDerWaalsContact C-CD1 3.48Å; S268-F350 WeakPolarHBondContact O-CA 3.26Å; S268-A351 PolarHBondContact O-N 2.78Å
269	F	98.6	Very high	97.9	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.057	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	137.5	169.9	171.3	-114.3	0	0	0	110.2	V236 V237 Y243 M271 E272 A348 F350	V236-F269 HydrophobicContact CG1-CB 3.69Å; V236-F269 HydrophobicContact CG1-CG 4.38Å; V237-F269 HydrophobicContact CB-CD2 4.44Å; V237-F269 HydrophobicContact CB-CE2 4.21Å; V237-F269 HydrophobicContact CB-CZ 4.37Å; V237-F269 HydrophobicContact CG1-CE2 3.84Å; V237-F269 HydrophobicContact CG1-CZ 3.96Å; V237-F269 HydrophobicContact CG2-CD2 3.8Å; V237-F269 HydrophobicContact CG2-CE2 3.97Å; V237-F269 HydrophobicContact CG2-CG 4.27Å; Y243-F269 VanDerWaalsContact CE2-O 3.22Å; Y243-F269 WeakPolarHBondContact CE2-O 3.47Å; F269-M271 VanDerWaalsContact CE2-C 3.43Å; F269-M271 VanDerWaalsContact CE2-O 3.23Å; F269-M271 WeakPolarHBondContact CE2-O 3.34Å; F269-E272 HydrophobicContact CE2-CG 3.93Å; F269-E272 HydrophobicContact CZ-CG 3.91Å; F269-A348 HydrophobicContact CD2-CB 4.19Å; F269-A348 HydrophobicContact CE2-CB 3.95Å; F269-F350 VanDerWaalsContact CA-CD1 3.5Å; F269-F350 HydrophobicContact CB-CD1 4.02Å; F269-F350 HydrophobicContact CB-CE1 3.55Å; F269-F350 HydrophobicContact CB-CE2 4.45Å; F269-F350 HydrophobicContact CB-CZ 3.79Å; F269-F350 HydrophobicContact CD2-CE2 4.08Å; F269-F350 HydrophobicContact CD2-CZ 4.12Å; F269-F350 HydrophobicContact CG-CZ 4.38Å
270	V	98.7	Very high	97.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-55.9	-176.9	-176.5	0	0	0	0	111.7	I264 L330 F349 A351 L361	I264-V270 HydrophobicContact CD1-CG1 4.07Å; I264-V270 HydrophobicContact CD1-CG2 4.23Å; I264-V270 HydrophobicContact CG2-CG2 4.06Å; V270-L330 HydrophobicContact CB-CD2 4.06Å; V270-L330 HydrophobicContact CG1-CD2 4.25Å; V270-L330 HydrophobicContact CG2-CD2 3.67Å; V270-F349 PolarHBondContact N-O 2.71Å; V270-A351 HydrophobicContact CG2-CB 4.25Å; V270-L361 HydrophobicContact CG1-CD1 3.87Å
271	M	98.5	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	171.9	-179.6	67.5	-173.4	78.4	0	0	110.5	I241 L245 V258 F269 I318 V322 F349 L361	I241-M271 HydrophobicContact CD1-CB 3.59Å; I241-M271 HydrophobicContact CG1-CB 3.8Å; L245-M271 HydrophobicContact CD1-CE 3.64Å; V258-M271 HydrophobicContact CG1-CE 4.37Å; F269-M271 VanDerWaalsContact CE2-C 3.43Å; F269-M271 VanDerWaalsContact CE2-O 3.23Å; F269-M271 WeakPolarHBondContact CE2-O 3.34Å; M271-I318 HydrophobicContact CE-CG2 4.31Å; M271-I318 HydrophobicContact SD-CG2 3.82Å; M271-V322 HydrophobicContact CE-CG2 4.19Å; M271-V322 HydrophobicContact SD-CG2 3.8Å; M271-F349 HydrophobicContact CG-CB 4.32Å; M271-F349 HydrophobicContact CG-CD2 3.63Å; M271-F349 HydrophobicContact CG-CE2 4.46Å; M271-F349 HydrophobicContact CG-CG 4.41Å; M271-F349 PolarHBondContact O-N 3.44Å; M271-F349 HydrophobicContact SD-CD2 4.19Å; M271-L361 HydrophobicContact CE-CD1 3.54Å
272	E	98.2	Very high	96.9	Very high	17 Å²	17	42 Å²	42	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	156.4	170.1	-70.6	173.2	89.6	0	0	111.2	V237 F269 V274 N317 S319 R346 I347 A348	V237-E272 VanDerWaalsContact CG1-CD 3.49Å; V237-E272 HydrophobicContact CG1-CG 3.72Å; F269-E272 HydrophobicContact CE2-CG 3.93Å; F269-E272 HydrophobicContact CZ-CG 3.91Å; E272-V274 HydrophobicContact CB-CG2 3.88Å; E272-N317 PolarHBondContact O-ND2 2.88Å; E272-N317 PolarHBondContact O-OD1 2.74Å; E272-S319 WeakPolarHBondContact O-CB 3.23Å; E272-R346 IonicContact OE1-CZ 3.61Å; E272-R346 IonicContact OE1-NE 3.37Å; E272-R346 PolarHBondContact OE1-NE 2.81Å; E272-R346 IonicContact OE1-NH2 2.77Å; E272-R346 PolarHBondContact OE1-NH2 2.67Å; E272-R346 IonicContact OE2-CZ 2.93Å; E272-R346 IonicContact OE2-NH2 3.32Å; E272-R346 PolarHBondContact OE2-NH2 2.82Å; E272-I347 CarbonylContact C-O 3.56Å; E272-I347 WeakPolarHBondContact CA-O 3.38Å; E272-I347 WeakPolarHBondContact CB-O 3.47Å; E272-A348 HydrophobicContact CG-CB 4.45Å
273	Y	97.4	Very high	96.6	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.8	164.9	-163.8	-87.5	0	0	0	109.8	Y166 Y297 F299 V310 A312 S319 I347 F349 M379	Y166-Y273 VanDerWaalsContact CE1-O 3.24Å; Y166-Y273 WeakPolarHBondContact CE1-O 3.28Å; Y166-Y273 PolarHBondContact OH-O 3.09Å; Y166-Y273 VanDerWaalsContact OH-O 3.09Å; Y273-Y297 PolarHBondContact OH-O 2.76Å; Y273-F299 HydrophobicContact CD1-CB 3.92Å; Y273-F299 HydrophobicContact CD1-CD2 4.24Å; Y273-F299 HydrophobicContact CD1-CG 4.19Å; Y273-F299 HydrophobicContact CE1-CB 3.59Å; Y273-F299 HydrophobicContact CE1-CD2 4.37Å; Y273-F299 HydrophobicContact CE1-CG 4.28Å; Y273-F299 HydrophobicContact CG-CD2 4.32Å; Y273-V310 HydrophobicContact CD1-CB 4.36Å; Y273-V310 HydrophobicContact CD1-CG1 3.9Å; Y273-V310 HydrophobicContact CE1-CB 4.39Å; Y273-V310 HydrophobicContact CE1-CG1 3.96Å; Y273-A312 HydrophobicContact CE1-CB 3.83Å; Y273-A312 WeakPolarHBondContact OH-CB 3.44Å; Y273-S319 WeakPolarHBondContact CA-OG 3.42Å; Y273-S319 WeakPolarHBondContact CD2-OG 3.35Å; Y273-I347 PolarHBondContact N-O 2.97Å; Y273-F349 HydrophobicContact CD2-CE2 4.17Å; Y273-F349 AromaticContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CG-CZ 4.29Å; Y273-M379 HydrophobicContact CE2-CE 4.5Å
274	V	97.5	Very high	96.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	17%	0.171	C	C	.	.			trans	-122.7	139	-172.7	179.6	0	0	0	0	110.2	I163 E165 Y166 E272 G316 N317	I163-V274 HydrophobicContact CD1-CG1 3.71Å; I163-V274 HydrophobicContact CG1-CG1 3.91Å; E165-V274 VanDerWaalsContact O-CG1 3.29Å; E165-V274 WeakPolarHBondContact O-CG1 3.36Å; Y166-V274 HydrophobicContact CD1-CG1 4.14Å; E272-V274 HydrophobicContact CB-CG2 3.88Å; V274-G316 VanDerWaalsContact O-CA 3.24Å; V274-G316 WeakPolarHBondContact O-CA 3.42Å; V274-N317 HydrophobicContact CB-CB 4.2Å; V274-N317 WeakPolarHBondContact CG2-ND2 3.49Å
275	G	97.4	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.194	C	C	.	.			trans	-163.6	-160.9	176.7	0	0	0	0	0	112.7	R167 V310 D311 Y315	R167-G275 PolarHBondContact N-O 3.02Å; G275-V310 VanDerWaalsContact N-CG1 3.31Å; G275-D311 WeakPolarHBondContact CA-O 3.14Å; G275-Y315 VanDerWaalsContact CA-O 3.26Å; G275-Y315 WeakPolarHBondContact CA-O 3.24Å
276	E	97.1	Very high	95.5	Very high	23 Å²	23	37.6 Å²	37.6	11%	0.107	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.5	166.9	-172.5	174.4	-125	0	0	109.8	R167 I278 R286 V310 D311	R167-E276 HydrophobicContact CB-CB 4.48Å; R167-E276 IonicContact NH1-OE1 2.69Å; R167-E276 CarbonylContact O-C 3.59Å; R167-E276 VanDerWaalsContact O-CA 3.23Å; R167-E276 WeakPolarHBondContact O-CA 3.39Å; E276-I278 HydrophobicContact CG-CG2 3.95Å; E276-R286 IonicContact OE2-CZ 3.89Å; E276-R286 VanDerWaalsContact OE2-CZ 3.28Å; E276-R286 IonicContact OE2-NH1 3.22Å; E276-R286 PolarHBondContact OE2-NH1 2.88Å; E276-R286 IonicContact OE2-NH2 2.86Å; E276-R286 PolarHBondContact OE2-NH2 3.38Å; E276-V310 CarbonylContact O-C 3.37Å; E276-V310 WeakPolarHBondContact O-CA 3.39Å; E276-D311 PolarHBondContact N-O 2.78Å; E276-D311 PolarHBondContact O-N 3.14Å
277	I	96.6	Very high	94.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.1	170.9	-54.3	179.5	0	0	0	107.6	Y166 R167 G169 I172 Y308 T309 L344	Y166-I277 HydrophobicContact CD1-CD1 4.34Å; Y166-I277 HydrophobicContact CD1-CG1 4.04Å; Y166-I277 HydrophobicContact CD2-CD1 3.69Å; Y166-I277 HydrophobicContact CD2-CG1 4.29Å; Y166-I277 HydrophobicContact CE2-CD1 4.39Å; Y166-I277 HydrophobicContact CG-CD1 3.69Å; Y166-I277 HydrophobicContact CG-CG1 3.85Å; R167-I277 PolarHBondContact O-N 3.05Å; G169-I277 WeakPolarHBondContact CA-O 3.19Å; G169-I277 PolarHBondContact N-O 3.46Å; I172-I277 HydrophobicContact CD1-CB 4.46Å; I172-I277 HydrophobicContact CD1-CG2 3.85Å; I172-I277 WeakPolarHBondContact CD1-O 3.22Å; I172-I277 HydrophobicContact CG2-CG2 4.44Å; I277-Y308 HydrophobicContact CG2-CD1 4.42Å; I277-Y308 HydrophobicContact CG2-CG 4.43Å; I277-T309 WeakPolarHBondContact CA-O 3.34Å; I277-L344 HydrophobicContact CD1-CD2 4.15Å; I277-L344 HydrophobicContact CG2-CD2 3.69Å
278	I	95.6	Very high	94.2	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.036	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	165.8	177.3	56.8	177.1	0	0	0	109.6	E276 E282 A283 L298 Y308 T309 D311	E276-I278 HydrophobicContact CG-CG2 3.95Å; I278-E282 HydrophobicContact CB-CB 4.16Å; I278-E282 HydrophobicContact CB-CG 3.94Å; I278-E282 HydrophobicContact CD1-CB 4.49Å; I278-E282 HydrophobicContact CD1-CG 4.08Å; I278-E282 HydrophobicContact CG2-CG 4.09Å; I278-A283 HydrophobicContact CD1-CB 3.81Å; I278-A283 HydrophobicContact CG1-CB 4.22Å; I278-L298 HydrophobicContact CD1-CD2 4.28Å; I278-Y308 CarbonylContact O-C 3.59Å; I278-Y308 VanDerWaalsContact O-CA 3.3Å; I278-Y308 WeakPolarHBondContact O-CA 3.38Å; I278-T309 WeakPolarHBondContact CG1-O 3.39Å; I278-T309 PolarHBondContact N-O 2.87Å; I278-T309 PolarHBondContact O-N 3.13Å; I278-D311 HydrophobicContact CD1-CB 3.72Å; I278-D311 HydrophobicContact CG1-CB 4.28Å
279	T	94.4	Very high	93.5	Very high	55 Å²	55	38 Å²	38	34%	0.337	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	153.8	170.9	59.1	0	0	0	0	110.2	E281 E282 A283 V307 Y308	T279-E281 PolarHBondContact O-N 3.24Å; T279-E282 PolarHBondContact O-N 3.3Å; T279-E282 WeakPolarHBondContact OG1-CB 3.45Å; T279-E282 PolarHBondContact OG1-N 3.22Å; T279-A283 PolarHBondContact O-N 2.88Å; T279-V307 WeakPolarHBondContact CA-O 3.42Å; T279-Y308 HydrophobicContact CG2-CE1 4.45Å
280	S	90.3	Very high	92.8	Very high	25 Å²	25	39.1 Å²	39.1	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-30.1	175.3	-50.2	0	0	0	0	112.2	A283 E284 D306 V307 Y308	S280-A283 WeakPolarHBondContact O-CB 3.33Å; S280-A283 PolarHBondContact O-N 2.86Å; S280-E284 PolarHBondContact O-N 3Å; S280-D306 WeakPolarHBondContact CB-OD1 3.43Å; S280-D306 PolarHBondContact OG-O 3.2Å; S280-D306 PolarHBondContact OG-OD1 2.81Å; S280-V307 PolarHBondContact N-O 2.83Å; S280-V307 PolarHBondContact OG-O 2.87Å; S280-Y308 PolarHBondContact OG-N 3.02Å
281	E	91.5	Very high	91.6	Very high	164 Å²	164	42.7 Å²	42.7	77%	0.766	20%	0.203	S	C	*	.	H	α-helix	trans	-63.2	-45.5	172.4	-176.8	-176.7	-177.2	0	0	112.5	T279 A283 E284 R285	T279-E281 PolarHBondContact O-N 3.24Å; E281-A283 VanDerWaalsContact C-N 3.31Å; E281-E284 PolarHBondContact O-N 2.8Å; E281-R285 PolarHBondContact O-N 3.24Å; E281-R285 VanDerWaalsContact O-N 3.11Å
282	E	93.3	Very high	90.4	Very high	46 Å²	46	52.1 Å²	52.1	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-69.3	-34	176.8	174.7	60.7	-174.1	0	0	111.1	I278 T279 R285 R286	I278-E282 HydrophobicContact CB-CB 4.16Å; I278-E282 HydrophobicContact CB-CG 3.94Å; I278-E282 HydrophobicContact CD1-CB 4.49Å; I278-E282 HydrophobicContact CD1-CG 4.08Å; I278-E282 HydrophobicContact CG2-CG 4.09Å; T279-E282 PolarHBondContact O-N 3.3Å; T279-E282 WeakPolarHBondContact OG1-CB 3.45Å; T279-E282 PolarHBondContact OG1-N 3.22Å; E282-R285 PolarHBondContact O-N 3.1Å; E282-R285 IonicContact OE1-CZ 3.18Å; E282-R285 IonicContact OE1-NE 3.58Å; E282-R285 IonicContact OE1-NH2 3.5Å; E282-R285 PolarHBondContact OE1-NH2 2.83Å; E282-R285 IonicContact OE2-CZ 2.7Å; E282-R285 IonicContact OE2-NE 2.65Å; E282-R285 PolarHBondContact OE2-NE 3.17Å; E282-R285 IonicContact OE2-NH2 3.71Å; E282-R285 PolarHBondContact OE2-NH2 3.47Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 2.89Å; E282-R286 IonicContact OE1-CZ 3.24Å; E282-R286 IonicContact OE1-NE 2.89Å; E282-R286 PolarHBondContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH2 2.78Å; E282-R286 PolarHBondContact OE1-NH2 2.95Å
283	A	92.2	Very high	89.2	Confident	2 Å²	2	58 Å²	58	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-48.6	174.2	0	0	0	0	0	111.5	I278 T279 S280 E281 R285 R286 G287 L298 T309	I278-A283 HydrophobicContact CD1-CB 3.81Å; I278-A283 HydrophobicContact CG1-CB 4.22Å; T279-A283 PolarHBondContact O-N 2.88Å; S280-A283 WeakPolarHBondContact O-CB 3.33Å; S280-A283 PolarHBondContact O-N 2.86Å; E281-A283 VanDerWaalsContact C-N 3.31Å; A283-R285 VanDerWaalsContact C-N 3.33Å; A283-R285 PolarHBondContact O-N 2.64Å; A283-R286 CarbonylContact O-C 3.58Å; A283-R286 PolarHBondContact O-N 3.3Å; A283-G287 WeakPolarHBondContact O-CA 3.26Å; A283-G287 PolarHBondContact O-N 3.23Å; A283-L298 HydrophobicContact CB-CD1 4.35Å; A283-L298 HydrophobicContact CB-CD2 4.3Å; A283-L298 WeakPolarHBondContact O-CD1 3.23Å; A283-T309 HydrophobicContact CB-CG2 3.75Å; A283-T309 WeakPolarHBondContact CB-OG1 3.34Å
284	E	89.6	Confident	87.9	Confident	88 Å²	88	59.9 Å²	59.9	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-57.6	-45.5	174.8	173.1	57.1	-141.7	0	0	111.2	S280 E281 R286 G287 Q288	S280-E284 PolarHBondContact O-N 3Å; E281-E284 PolarHBondContact O-N 2.8Å; E284-R286 VanDerWaalsContact C-N 3.33Å; E284-R286 PolarHBondContact O-N 3.35Å; E284-G287 PolarHBondContact O-N 3.02Å; E284-Q288 WeakPolarHBondContact O-CG 3.39Å; E284-Q288 PolarHBondContact O-N 3.47Å; E284-Q288 PolarHBondContact OE1-NE2 3.47Å
285	R	92.2	Very high	86.8	Confident	129 Å²	129	60.4 Å²	60.4	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-41.1	177.6	-166	-166.4	67.8	73.3	1.3	112.3	E281 E282 A283	E281-R285 PolarHBondContact O-N 3.24Å; E281-R285 VanDerWaalsContact O-N 3.11Å; E282-R285 PolarHBondContact O-N 3.1Å; E282-R285 IonicContact OE1-CZ 3.18Å; E282-R285 IonicContact OE1-NE 3.58Å; E282-R285 IonicContact OE1-NH2 3.5Å; E282-R285 PolarHBondContact OE1-NH2 2.83Å; E282-R285 IonicContact OE2-CZ 2.7Å; E282-R285 IonicContact OE2-NE 2.65Å; E282-R285 PolarHBondContact OE2-NE 3.17Å; E282-R285 IonicContact OE2-NH2 3.71Å; E282-R285 PolarHBondContact OE2-NH2 3.47Å; A283-R285 VanDerWaalsContact C-N 3.33Å; A283-R285 PolarHBondContact O-N 2.64Å
286	R	91.6	Very high	86	Confident	47 Å²	47	61.4 Å²	61.4	18%	0.177	30%	0.297	C	S	.	.	H	α-helix	trans	-75.5	-37.2	176.9	-69.5	-175.3	-172.2	-170.2	8.6	112.2	E276 E282 A283 E284 Q288 I289 Y290 D311	E276-R286 IonicContact OE2-CZ 3.89Å; E276-R286 VanDerWaalsContact OE2-CZ 3.28Å; E276-R286 IonicContact OE2-NH1 3.22Å; E276-R286 PolarHBondContact OE2-NH1 2.88Å; E276-R286 IonicContact OE2-NH2 2.86Å; E276-R286 PolarHBondContact OE2-NH2 3.38Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 2.89Å; E282-R286 IonicContact OE1-CZ 3.24Å; E282-R286 IonicContact OE1-NE 2.89Å; E282-R286 PolarHBondContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH2 2.78Å; E282-R286 PolarHBondContact OE1-NH2 2.95Å; A283-R286 CarbonylContact O-C 3.58Å; A283-R286 PolarHBondContact O-N 3.3Å; E284-R286 VanDerWaalsContact C-N 3.33Å; E284-R286 PolarHBondContact O-N 3.35Å; R286-Q288 VanDerWaalsContact C-N 3.29Å; R286-Q288 PolarHBondContact O-N 2.77Å; R286-I289 WeakPolarHBondContact O-CA 3.19Å; R286-I289 VanDerWaalsContact O-CB 3.28Å; R286-I289 WeakPolarHBondContact O-CB 3.29Å; R286-I289 PolarHBondContact O-N 3.29Å; R286-Y290 HydrophobicContact CB-CD2 4.33Å; R286-Y290 HydrophobicContact CB-CE2 3.72Å; R286-Y290 PolarHBondContact O-N 3.41Å; R286-Y290 VanDerWaalsContact O-N 3.12Å; R286-D311 WeakPolarHBondContact CD-OD2 3.5Å; R286-D311 IonicContact CZ-OD2 3.45Å; R286-D311 IonicContact NE-OD2 3.69Å; R286-D311 IonicContact NH1-OD2 3.23Å; R286-D311 PolarHBondContact NH1-OD2 2.9Å
287	G	85.4	Confident	85.6	Confident	5 Å²	5	63.4 Å²	63.4	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-54.9	-42.9	178.9	0	0	0	0	0	111.9	A283 E284 I289 Y290 D291	A283-G287 WeakPolarHBondContact O-CA 3.26Å; A283-G287 PolarHBondContact O-N 3.23Å; E284-G287 PolarHBondContact O-N 3.02Å; G287-I289 PolarHBondContact O-N 3.09Å; G287-Y290 CarbonylContact O-C 3.58Å; G287-Y290 PolarHBondContact O-N 3.46Å; G287-D291 WeakPolarHBondContact O-CB 3.28Å; G287-D291 VanDerWaalsContact O-CG 3.23Å; G287-D291 PolarHBondContact O-N 3.02Å
288	Q	83	Confident	85.3	Confident	107 Å²	107	63.9 Å²	63.9	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-57.8	-23.9	174.2	-66.6	173.5	19.8	0	0	114.4	E284 R286 R292	E284-Q288 WeakPolarHBondContact O-CG 3.39Å; E284-Q288 PolarHBondContact O-N 3.47Å; E284-Q288 PolarHBondContact OE1-NE2 3.47Å; R286-Q288 VanDerWaalsContact C-N 3.29Å; R286-Q288 PolarHBondContact O-N 2.77Å; Q288-R292 PolarHBondContact O-NE 3.43Å
289	I	84.4	Confident	85.1	Confident	64 Å²	64	63.6 Å²	63.6	33%	0.328	31%	0.305	S	S	.	.	H	α-helix	trans	-84.3	-43.1	173.3	-56.2	171.4	0	0	0	109.9	R286 G287 R292 Q293	R286-I289 WeakPolarHBondContact O-CA 3.19Å; R286-I289 VanDerWaalsContact O-CB 3.28Å; R286-I289 WeakPolarHBondContact O-CB 3.29Å; R286-I289 PolarHBondContact O-N 3.29Å; G287-I289 PolarHBondContact O-N 3.09Å; I289-R292 PolarHBondContact O-N 3.12Å; I289-Q293 WeakPolarHBondContact O-CG 3.1Å; I289-Q293 PolarHBondContact O-N 3.03Å
290	Y	83.9	Confident	84.9	Confident	36 Å²	36	61.7 Å²	61.7	14%	0.141	29%	0.293	C	S	.	.	H	α-helix	trans	-68.4	-37.9	-178.9	-58.3	-29.7	0	0	0	113.3	R286 G287 R292 Q293 G294 A295 L298 D311 A313	R286-Y290 HydrophobicContact CB-CD2 4.33Å; R286-Y290 HydrophobicContact CB-CE2 3.72Å; R286-Y290 PolarHBondContact O-N 3.41Å; R286-Y290 VanDerWaalsContact O-N 3.12Å; G287-Y290 CarbonylContact O-C 3.58Å; G287-Y290 PolarHBondContact O-N 3.46Å; Y290-R292 VanDerWaalsContact C-N 3.26Å; Y290-R292 PolarHBondContact O-N 2.94Å; Y290-Q293 CarbonylContact O-C 3.18Å; Y290-Q293 WeakPolarHBondContact O-CA 3.45Å; Y290-Q293 WeakPolarHBondContact O-CB 3.47Å; Y290-Q293 PolarHBondContact O-N 3.06Å; Y290-G294 PolarHBondContact O-N 2.94Å; Y290-A295 PolarHBondContact O-N 3Å; Y290-A295 VanDerWaalsContact O-N 3.13Å; Y290-L298 HydrophobicContact CD2-CD1 4.2Å; Y290-L298 HydrophobicContact CD2-CD2 4.37Å; Y290-L298 HydrophobicContact CD2-CG 4.1Å; Y290-L298 HydrophobicContact CE2-CD2 4.06Å; Y290-L298 HydrophobicContact CE2-CG 4.3Å; Y290-D311 PolarHBondContact OH-OD2 2.97Å; Y290-D311 VanDerWaalsContact OH-OD2 3.05Å; Y290-A313 HydrophobicContact CE1-CB 3.98Å; Y290-A313 HydrophobicContact CE2-CB 4.1Å; Y290-A313 WeakPolarHBondContact OH-CB 3.34Å
291	D	73.9	Confident	84.8	Confident	75 Å²	75	60.5 Å²	60.5	40%	0.401	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.6	-42.8	173.5	-72.2	-1.2	0	0	0	111.8	G287 Q293 G294 F383	G287-D291 WeakPolarHBondContact O-CB 3.28Å; G287-D291 VanDerWaalsContact O-CG 3.23Å; G287-D291 PolarHBondContact O-N 3.02Å; D291-Q293 PolarHBondContact O-N 3.36Å; D291-G294 PolarHBondContact O-N 2.84Å; D291-F383 HydrophobicContact CB-CE2 4.48Å; D291-F383 WeakPolarHBondContact OD1-CD2 3.2Å; D291-F383 WeakPolarHBondContact OD1-CE2 3.17Å
292	R	72.4	Confident	84.4	Confident	199 Å²	199	55.1 Å²	55.1	75%	0.751	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-67	-21.3	177	-71.4	-176.3	-76.8	167	-6.8	112.7	Q288 I289 Y290	Q288-R292 PolarHBondContact O-NE 3.43Å; I289-R292 PolarHBondContact O-N 3.12Å; Y290-R292 VanDerWaalsContact C-N 3.26Å; Y290-R292 PolarHBondContact O-N 2.94Å
293	Q	73	Confident	83.9	Confident	139 Å²	139	54.1 Å²	54.1	65%	0.65	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-98.2	-7.4	178.4	-62.7	177.1	12.7	0	0	112.5	I289 Y290 D291 A295	I289-Q293 WeakPolarHBondContact O-CG 3.1Å; I289-Q293 PolarHBondContact O-N 3.03Å; Y290-Q293 CarbonylContact O-C 3.18Å; Y290-Q293 WeakPolarHBondContact O-CA 3.45Å; Y290-Q293 WeakPolarHBondContact O-CB 3.47Å; Y290-Q293 PolarHBondContact O-N 3.06Å; D291-Q293 PolarHBondContact O-N 3.36Å; Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 HydrophobicContact CB-CB 4.39Å
294	G	70.5	Confident	83.5	Confident	43 Å²	43	57.1 Å²	57.1	44%	0.443	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	32.1	-176.1	0	0	0	0	0	113.2	Y290 D291	Y290-G294 PolarHBondContact O-N 2.94Å; D291-G294 PolarHBondContact O-N 2.84Å
295	A	74.3	Confident	83.2	Confident	13 Å²	13	58.3 Å²	58.3	11%	0.107	28%	0.279	C	S	.	.			trans	-114	138	-173.2	0	0	0	0	0	111.6	Y290 Q293 Y297 F383	Y290-A295 PolarHBondContact O-N 3Å; Y290-A295 VanDerWaalsContact O-N 3.13Å; Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 HydrophobicContact CB-CB 4.39Å; A295-Y297 HydrophobicContact CB-CD2 4.08Å; A295-Y297 HydrophobicContact CB-CE2 3.55Å; A295-F383 WeakPolarHBondContact O-CE2 3.42Å
296	T	80.5	Confident	82.8	Confident	21 Å²	21	56.8 Å²	56.8	13%	0.129	28%	0.281	C	S	.	.			trans	-126.9	95.1	-172.3	59.3	0	0	0	0	109.8	Y365 M379 F383 F412	T296-Y365 VanDerWaalsContact OG1-CE2 3.3Å; T296-Y365 WeakPolarHBondContact OG1-CE2 3.46Å; T296-M379 WeakPolarHBondContact O-CE 3.27Å; T296-F383 HydrophobicContact CG2-CD1 4.39Å; T296-F383 HydrophobicContact CG2-CD2 4Å; T296-F383 HydrophobicContact CG2-CE1 4.23Å; T296-F383 HydrophobicContact CG2-CE2 3.8Å; T296-F383 HydrophobicContact CG2-CG 4.28Å; T296-F383 HydrophobicContact CG2-CZ 3.92Å; T296-F412 HydrophobicContact CG2-CE2 3.42Å; T296-F412 VanDerWaalsContact CG2-CE2 3.42Å; T296-F412 HydrophobicContact CG2-CZ 3.43Å; T296-F412 VanDerWaalsContact CG2-CZ 3.43Å
297	Y	89	Confident	82.7	Confident	65 Å²	65	56.6 Å²	56.6	26%	0.255	28%	0.284	S	S	.	.			trans	-128.4	-3.3	-177.8	-53.6	-61.5	0	0	0	113.9	Y273 A295 A312 A313 H320	Y273-Y297 PolarHBondContact OH-O 2.76Å; A295-Y297 HydrophobicContact CB-CD2 4.08Å; A295-Y297 HydrophobicContact CB-CE2 3.55Å; Y297-A312 PolarHBondContact O-N 3.31Å; Y297-A313 HydrophobicContact CD2-CB 3.52Å; Y297-A313 HydrophobicContact CE2-CB 4.32Å; Y297-A313 HydrophobicContact CG-CB 4.03Å; Y297-H320 AromaticContact CD1-CE1 3.6Å; Y297-H320 AromaticContact CD1-ND1 3.65Å; Y297-H320 AromaticContact CE1-CE1 3.22Å; Y297-H320 WeakPolarHBondContact CE1-CE1 3.3Å; Y297-H320 AromaticContact CE1-ND1 3.69Å; Y297-H320 AromaticContact CE1-NE2 3.65Å; Y297-H320 AromaticContact CZ-CE1 3.59Å; Y297-H320 AromaticContact CZ-NE2 3.98Å
298	L	90.6	Very high	83.1	Confident	12 Å²	12	57.8 Å²	57.8	6%	0.063	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.2	177	-62.1	178.9	0	0	0	109.5	I278 A283 Y290 T309 V310 D311 M379 D380	I278-L298 HydrophobicContact CD1-CD2 4.28Å; A283-L298 HydrophobicContact CB-CD1 4.35Å; A283-L298 HydrophobicContact CB-CD2 4.3Å; A283-L298 WeakPolarHBondContact O-CD1 3.23Å; Y290-L298 HydrophobicContact CD2-CD1 4.2Å; Y290-L298 HydrophobicContact CD2-CD2 4.37Å; Y290-L298 HydrophobicContact CD2-CG 4.1Å; Y290-L298 HydrophobicContact CE2-CD2 4.06Å; Y290-L298 HydrophobicContact CE2-CG 4.3Å; L298-T309 HydrophobicContact CB-CG2 3.87Å; L298-T309 HydrophobicContact CD2-CG2 4.05Å; L298-T309 HydrophobicContact CG-CG2 4.49Å; L298-V310 CarbonylContact C-O 3.59Å; L298-V310 WeakPolarHBondContact CA-O 3.3Å; L298-D311 HydrophobicContact CD2-CB 3.75Å; L298-M379 WeakPolarHBondContact O-CG 3.34Å; L298-D380 HydrophobicContact CB-CB 4.39Å
299	F	90.7	Very high	83.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	112.3	177.6	-168.1	-65.8	0	0	0	108.7	Y273 L301 T309 V310 V332 I347 F363 M367 T377	Y273-F299 HydrophobicContact CD1-CB 3.92Å; Y273-F299 HydrophobicContact CD1-CD2 4.24Å; Y273-F299 HydrophobicContact CD1-CG 4.19Å; Y273-F299 HydrophobicContact CE1-CB 3.59Å; Y273-F299 HydrophobicContact CE1-CD2 4.37Å; Y273-F299 HydrophobicContact CE1-CG 4.28Å; Y273-F299 HydrophobicContact CG-CD2 4.32Å; F299-L301 HydrophobicContact CD1-CD2 4.47Å; F299-T309 CarbonylContact O-C 3.59Å; F299-T309 WeakPolarHBondContact O-CA 3.39Å; F299-T309 WeakPolarHBondContact O-CG2 3.3Å; F299-V310 HydrophobicContact CB-CB 4.36Å; F299-V310 PolarHBondContact N-O 2.99Å; F299-V310 PolarHBondContact O-N 2.92Å; F299-V332 HydrophobicContact CE2-CG2 4.48Å; F299-V332 HydrophobicContact CZ-CG1 3.98Å; F299-V332 HydrophobicContact CZ-CG2 4.33Å; F299-I347 HydrophobicContact CD1-CD1 4.42Å; F299-I347 HydrophobicContact CD1-CG1 4.13Å; F299-I347 HydrophobicContact CE1-CD1 3.84Å; F299-I347 HydrophobicContact CE1-CG1 3.92Å; F299-I347 HydrophobicContact CE1-CG2 3.96Å; F299-I347 HydrophobicContact CE2-CG2 4.17Å; F299-I347 HydrophobicContact CZ-CG2 3.8Å; F299-F363 HydrophobicContact CE2-CE2 4.3Å; F299-M367 HydrophobicContact CE2-SD 3.86Å; F299-M367 HydrophobicContact CZ-CE 4.3Å; F299-M367 HydrophobicContact CZ-SD 3.49Å; F299-M367 WeakPolarHBondContact CZ-SD 3.3Å; F299-T377 HydrophobicContact CE1-CG2 3.96Å
300	D	90.2	Very high	84.1	Confident	15 Å²	15	49.7 Å²	49.7	8%	0.08	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.2	-174.3	-61.2	-32.2	0	0	0	110.8	D302 T309 R378 D380	D300-D302 PolarHBondContact O-N 3.03Å; D300-T309 VanDerWaalsContact OD1-CG2 3.23Å; D300-T309 WeakPolarHBondContact OD1-CG2 3.48Å; D300-T309 PolarHBondContact OD1-OG1 3.19Å; D300-R378 PolarHBondContact N-O 3.18Å; D300-D380 WeakPolarHBondContact OD2-CA 3.44Å; D300-D380 WeakPolarHBondContact OD2-CB 3.4Å
301	L	88.7	Confident	84.7	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.			trans	-93.8	46.6	179.2	-58	-177.4	0	0	0	110.8	F299 Y303 Y308 V310 L344 P345 I347	F299-L301 HydrophobicContact CD1-CD2 4.47Å; L301-Y303 PolarHBondContact O-N 2.98Å; L301-Y308 VanDerWaalsContact CB-O 3.28Å; L301-Y308 WeakPolarHBondContact CB-O 3.15Å; L301-Y308 PolarHBondContact N-O 2.83Å; L301-V310 HydrophobicContact CD1-CG2 3.91Å; L301-V310 HydrophobicContact CD2-CG2 3.78Å; L301-V310 HydrophobicContact CG-CG2 4.02Å; L301-L344 HydrophobicContact CD1-CD2 4.22Å; L301-P345 HydrophobicContact CB-CG 4.45Å; L301-P345 HydrophobicContact CD2-CG 4.25Å; L301-I347 HydrophobicContact CD2-CD1 3.65Å; L301-I347 HydrophobicContact CD2-CG1 3.63Å
302	D	83.6	Confident	85.7	Confident	51 Å²	51	44.5 Å²	44.5	27%	0.273	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	25	-172.1	71.9	3.3	0	0	0	114.6	D300 V304 D306 T377	D300-D302 PolarHBondContact O-N 3.03Å; D302-V304 VanDerWaalsContact C-N 3.28Å; D302-V304 PolarHBondContact O-N 3.19Å; D302-D306 HydrophobicContact CB-CB 4.28Å; D302-T377 WeakPolarHBondContact OD1-CA 3.5Å; D302-T377 PolarHBondContact OD1-N 2.78Å; D302-T377 VanDerWaalsContact OD1-N 3.13Å
303	Y	82.1	Confident	86.7	Confident	26 Å²	26	35.8 Å²	35.8	10%	0.102	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-38.4	-178.2	175	-112.3	0	0	0	112.9	P218 L301 N334 F336 E342	P218-Y303 HydrophobicContact CB-CE1 4.39Å; P218-Y303 HydrophobicContact CB-CE2 4.47Å; P218-Y303 VanDerWaalsContact CD-OH 3.27Å; P218-Y303 WeakPolarHBondContact CD-OH 3.31Å; P218-Y303 WeakPolarHBondContact CG-OH 3.5Å; L301-Y303 PolarHBondContact O-N 2.98Å; Y303-N334 HydrophobicContact CD2-CB 4.29Å; Y303-N334 WeakPolarHBondContact CD2-ND2 3.15Å; Y303-N334 HydrophobicContact CG-CB 4.32Å; Y303-F336 HydrophobicContact CD1-CE2 4.25Å; Y303-F336 AromaticContact CD1-CZ 3.87Å; Y303-F336 HydrophobicContact CD1-CZ 3.87Å; Y303-F336 AromaticContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CZ 4.01Å; Y303-E342 HydrophobicContact CD1-CB 4.26Å; Y303-E342 HydrophobicContact CE1-CB 4.32Å; Y303-E342 HydrophobicContact CE1-CG 4.47Å
304	V	84.6	Confident	87.7	Confident	65 Å²	65	34.4 Å²	34.4	39%	0.394	18%	0.183	S	C	.	.	S	Bend	trans	-120.6	-42.9	173.2	-68.6	0	0	0	0	112.4	D302 E342 R343	D302-V304 VanDerWaalsContact C-N 3.28Å; D302-V304 PolarHBondContact O-N 3.19Å; V304-E342 HydrophobicContact CB-CB 4.48Å; V304-E342 HydrophobicContact CG1-CB 3.68Å; V304-E342 WeakPolarHBondContact CG1-OE2 3.48Å; V304-E342 HydrophobicContact CG2-CB 3.93Å; V304-R343 HydrophobicContact CG2-CB 4.36Å; V304-R343 HydrophobicContact CG2-CG 3.67Å
305	E	82.2	Confident	89	Confident	113 Å²	113	35 Å²	35	53%	0.528	17%	0.173	S	C	.	.			trans	-148.6	141.6	-177.7	-63.9	-179.6	173	0	0	109	V307	E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 HydrophobicContact CB-CG2 3.66Å; E305-V307 PolarHBondContact O-N 2.93Å
306	D	83.7	Confident	90.1	Very high	97 Å²	97	34.4 Å²	34.4	52%	0.519	17%	0.168	S	C	.	.	S	Bend	trans	-79.2	78.4	173.7	179.8	14.4	0	0	0	110.4	S280 D302	S280-D306 WeakPolarHBondContact CB-OD1 3.43Å; S280-D306 PolarHBondContact OG-O 3.2Å; S280-D306 PolarHBondContact OG-OD1 2.81Å; D302-D306 HydrophobicContact CB-CB 4.28Å
307	V	89.9	Confident	90.9	Very high	42 Å²	42	33.8 Å²	33.8	26%	0.255	16%	0.164	S	C	.	.			trans	-112.2	-32.8	-179.2	-176.2	0	0	0	0	111.8	T279 S280 E305	T279-V307 WeakPolarHBondContact CA-O 3.42Å; S280-V307 PolarHBondContact N-O 2.83Å; S280-V307 PolarHBondContact OG-O 2.87Å; E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 HydrophobicContact CB-CG2 3.66Å; E305-V307 PolarHBondContact O-N 2.93Å
308	Y	93.8	Very high	91.3	Very high	31 Å²	31	30.7 Å²	30.7	12%	0.122	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.6	-171.2	-58.9	-63.7	0	0	0	111.7	I172 I277 I278 T279 S280 L301 R343 L344	I172-Y308 HydrophobicContact CD1-CD1 3.7Å; I172-Y308 HydrophobicContact CD1-CE1 3.75Å; I172-Y308 HydrophobicContact CG1-CD1 4.27Å; I172-Y308 HydrophobicContact CG1-CE1 3.78Å; I172-Y308 HydrophobicContact CG2-CE1 4.05Å; I277-Y308 HydrophobicContact CG2-CD1 4.42Å; I277-Y308 HydrophobicContact CG2-CG 4.43Å; I278-Y308 CarbonylContact O-C 3.59Å; I278-Y308 VanDerWaalsContact O-CA 3.3Å; I278-Y308 WeakPolarHBondContact O-CA 3.38Å; T279-Y308 HydrophobicContact CG2-CE1 4.45Å; S280-Y308 PolarHBondContact OG-N 3.02Å; L301-Y308 VanDerWaalsContact CB-O 3.28Å; L301-Y308 WeakPolarHBondContact CB-O 3.15Å; L301-Y308 PolarHBondContact N-O 2.83Å; Y308-R343 HydrophobicContact CD2-CB 3.98Å; Y308-R343 WeakPolarHBondContact CD2-O 3.43Å; Y308-R343 HydrophobicContact CE2-CB 4Å; Y308-L344 HydrophobicContact CD1-CD2 4.31Å; Y308-L344 HydrophobicContact CD2-CD1 4.32Å; Y308-L344 HydrophobicContact CD2-CD2 3.33Å; Y308-L344 HydrophobicContact CD2-CG 3.64Å; Y308-L344 HydrophobicContact CE2-CD1 3.96Å; Y308-L344 HydrophobicContact CE2-CD2 3.82Å; Y308-L344 HydrophobicContact CE2-CG 3.75Å; Y308-L344 HydrophobicContact CG-CD2 3.6Å; Y308-L344 HydrophobicContact CG-CG 4.4Å
309	T	93.9	Very high	91.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.2	177.6	-56.5	0	0	0	0	109	I277 I278 A283 L298 F299 D300	I277-T309 WeakPolarHBondContact CA-O 3.34Å; I278-T309 WeakPolarHBondContact CG1-O 3.39Å; I278-T309 PolarHBondContact N-O 2.87Å; I278-T309 PolarHBondContact O-N 3.13Å; A283-T309 HydrophobicContact CB-CG2 3.75Å; A283-T309 WeakPolarHBondContact CB-OG1 3.34Å; L298-T309 HydrophobicContact CB-CG2 3.87Å; L298-T309 HydrophobicContact CD2-CG2 4.05Å; L298-T309 HydrophobicContact CG-CG2 4.49Å; F299-T309 CarbonylContact O-C 3.59Å; F299-T309 WeakPolarHBondContact O-CA 3.39Å; F299-T309 WeakPolarHBondContact O-CG2 3.3Å; D300-T309 VanDerWaalsContact OD1-CG2 3.23Å; D300-T309 WeakPolarHBondContact OD1-CG2 3.48Å; D300-T309 PolarHBondContact OD1-OG1 3.19Å
310	V	95.7	Very high	91.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.1	169.7	-179.9	0	0	0	0	109.1	Y166 Y273 G275 E276 L298 F299 L301	Y166-V310 HydrophobicContact CD1-CG1 4.33Å; Y166-V310 HydrophobicContact CD1-CG2 4.35Å; Y166-V310 HydrophobicContact CE1-CB 4.46Å; Y166-V310 HydrophobicContact CE1-CG1 3.88Å; Y166-V310 HydrophobicContact CE1-CG2 3.66Å; Y273-V310 HydrophobicContact CD1-CB 4.36Å; Y273-V310 HydrophobicContact CD1-CG1 3.9Å; Y273-V310 HydrophobicContact CE1-CB 4.39Å; Y273-V310 HydrophobicContact CE1-CG1 3.96Å; G275-V310 VanDerWaalsContact N-CG1 3.31Å; E276-V310 CarbonylContact O-C 3.37Å; E276-V310 WeakPolarHBondContact O-CA 3.39Å; L298-V310 CarbonylContact C-O 3.59Å; L298-V310 WeakPolarHBondContact CA-O 3.3Å; F299-V310 HydrophobicContact CB-CB 4.36Å; F299-V310 PolarHBondContact N-O 2.99Å; F299-V310 PolarHBondContact O-N 2.92Å; L301-V310 HydrophobicContact CD1-CG2 3.91Å; L301-V310 HydrophobicContact CD2-CG2 3.78Å; L301-V310 HydrophobicContact CG-CG2 4.02Å
311	D	95.5	Very high	92.2	Very high	2 Å²	2	31 Å²	31	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	106.8	173.9	179.9	3.6	0	0	0	110.8	G275 E276 I278 R286 Y290 L298 A313	G275-D311 WeakPolarHBondContact CA-O 3.14Å; E276-D311 PolarHBondContact N-O 2.78Å; E276-D311 PolarHBondContact O-N 3.14Å; I278-D311 HydrophobicContact CD1-CB 3.72Å; I278-D311 HydrophobicContact CG1-CB 4.28Å; R286-D311 WeakPolarHBondContact CD-OD2 3.5Å; R286-D311 IonicContact CZ-OD2 3.45Å; R286-D311 IonicContact NE-OD2 3.69Å; R286-D311 IonicContact NH1-OD2 3.23Å; R286-D311 PolarHBondContact NH1-OD2 2.9Å; Y290-D311 PolarHBondContact OH-OD2 2.97Å; Y290-D311 VanDerWaalsContact OH-OD2 3.05Å; L298-D311 HydrophobicContact CD2-CB 3.75Å; D311-A313 WeakPolarHBondContact OD1-CB 3.43Å; D311-A313 PolarHBondContact OD1-N 2.88Å
312	A	95.6	Very high	92.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.			trans	-92.1	9	178.5	0	0	0	0	0	114	Y273 Y297 Y314 Y315 H320	Y273-A312 HydrophobicContact CE1-CB 3.83Å; Y273-A312 WeakPolarHBondContact OH-CB 3.44Å; Y297-A312 PolarHBondContact O-N 3.31Å; A312-Y314 PolarHBondContact O-N 3.39Å; A312-Y315 CarbonylContact C-O 3.54Å; A312-Y315 VanDerWaalsContact CA-O 3.28Å; A312-Y315 WeakPolarHBondContact CA-O 3.33Å; A312-H320 PolarHBondContact O-CE1 3.32Å; A312-H320 PolarHBondContact O-ND1 2.93Å
313	A	93	Very high	93.2	Very high	17 Å²	17	29.5 Å²	29.5	14%	0.14	14%	0.144	C	C	.	.	S	Bend	trans	-65.1	-43.3	-169.2	0	0	0	0	0	113.2	Y290 Y297 D311	Y290-A313 HydrophobicContact CE1-CB 3.98Å; Y290-A313 HydrophobicContact CE2-CB 4.1Å; Y290-A313 WeakPolarHBondContact OH-CB 3.34Å; Y297-A313 HydrophobicContact CD2-CB 3.52Å; Y297-A313 HydrophobicContact CE2-CB 4.32Å; Y297-A313 HydrophobicContact CG-CB 4.03Å; D311-A313 WeakPolarHBondContact OD1-CB 3.43Å; D311-A313 PolarHBondContact OD1-N 2.88Å
314	Y	94	Very high	93.9	Very high	110 Å²	110	28.5 Å²	28.5	43%	0.431	14%	0.14	S	C	.	.	S	Bend	trans	-110.6	-40.5	-178.3	-171.7	-83.5	0	0	0	112.7	A159 F160 V161 A312	A159-Y314 HydrophobicContact CB-CD2 4.07Å; A159-Y314 HydrophobicContact CB-CE2 4.06Å; F160-Y314 CarbonylContact C-O 3.54Å; F160-Y314 WeakPolarHBondContact CA-O 3.32Å; V161-Y314 HydrophobicContact CB-CE1 4.35Å; V161-Y314 HydrophobicContact CG2-CD1 4.1Å; V161-Y314 HydrophobicContact CG2-CE1 3.5Å; V161-Y314 PolarHBondContact N-O 2.83Å; A312-Y314 PolarHBondContact O-N 3.39Å
315	Y	97.1	Very high	94.4	Very high	56 Å²	56	25.8 Å²	25.8	22%	0.22	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.2	174.2	-59.3	-83.8	0	0	0	107.7	V161 I163 R167 G275 A312	V161-Y315 HydrophobicContact CB-CD1 3.79Å; V161-Y315 HydrophobicContact CB-CE1 3.98Å; V161-Y315 HydrophobicContact CG1-CD1 3.97Å; V161-Y315 HydrophobicContact CG1-CE1 4.07Å; V161-Y315 HydrophobicContact CG2-CD1 4.49Å; V161-Y315 HydrophobicContact CG2-CE1 4.23Å; V161-Y315 WeakPolarHBondContact O-CA 3.46Å; I163-Y315 HydrophobicContact CG2-CD1 4.16Å; R167-Y315 PolarHBondContact NH1-OH 3.48Å; G275-Y315 VanDerWaalsContact CA-O 3.26Å; G275-Y315 WeakPolarHBondContact CA-O 3.24Å; A312-Y315 CarbonylContact C-O 3.54Å; A312-Y315 VanDerWaalsContact CA-O 3.28Å; A312-Y315 WeakPolarHBondContact CA-O 3.33Å
316	G	97.4	Very high	95	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	174.9	174.8	0	0	0	0	0	112.3	F160 V161 Y162 I163 V274	F160-G316 WeakPolarHBondContact CZ-O 3.43Å; V161-G316 PolarHBondContact O-N 2.74Å; V161-G316 VanDerWaalsContact O-N 3.14Å; Y162-G316 CarbonylContact C-O 3.45Å; Y162-G316 VanDerWaalsContact CA-O 3.23Å; Y162-G316 WeakPolarHBondContact CA-O 3.37Å; I163-G316 PolarHBondContact N-O 3.19Å; V274-G316 VanDerWaalsContact O-CA 3.24Å; V274-G316 WeakPolarHBondContact O-CA 3.42Å
317	N	97.8	Very high	95.5	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.043	11%	0.105	C	C	.	.			trans	-103.2	-159.1	170.8	74	4.5	0	0	0	110.1	Y162 I163 E272 V274 S319 H320	Y162-N317 HydrophobicContact CE2-CB 4.12Å; I163-N317 VanDerWaalsContact O-CB 3.25Å; I163-N317 WeakPolarHBondContact O-CB 3.27Å; E272-N317 PolarHBondContact O-ND2 2.88Å; E272-N317 PolarHBondContact O-OD1 2.74Å; V274-N317 HydrophobicContact CB-CB 4.2Å; V274-N317 WeakPolarHBondContact CG2-ND2 3.49Å; N317-S319 PolarHBondContact O-N 3.39Å; N317-S319 WeakPolarHBondContact OD1-CB 3.49Å; N317-S319 PolarHBondContact OD1-N 3.48Å; N317-S319 PolarHBondContact OD1-OG 3.05Å; N317-H320 VanDerWaalsContact O-CB 3.3Å; N317-H320 WeakPolarHBondContact O-CB 3.45Å; N317-H320 PolarHBondContact O-N 2.9Å
318	I	98.1	Very high	95.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-63.6	-22.5	178.7	-166.9	166.6	0	0	0	113.7	I145 Y162 I241 L245 I247 V258 M271 H320 F321	I145-I318 HydrophobicContact CD1-CB 4.41Å; I145-I318 HydrophobicContact CD1-CD1 4.34Å; I145-I318 HydrophobicContact CG1-CD1 4.08Å; I145-I318 HydrophobicContact CG2-CD1 3.87Å; Y162-I318 HydrophobicContact CE2-CB 4.37Å; I241-I318 HydrophobicContact CD1-CG2 3.58Å; L245-I318 HydrophobicContact CB-CD1 3.6Å; L245-I318 HydrophobicContact CD1-CD1 3.94Å; L245-I318 HydrophobicContact CD1-CG2 4.19Å; L245-I318 HydrophobicContact CG-CD1 4.43Å; I247-I318 HydrophobicContact CD1-CD1 4.49Å; I247-I318 HydrophobicContact CD1-CG1 4.21Å; I247-I318 HydrophobicContact CG1-CD1 3.99Å; I247-I318 HydrophobicContact CG1-CG1 3.91Å; V258-I318 HydrophobicContact CG1-CD1 3.91Å; V258-I318 HydrophobicContact CG1-CG1 4.08Å; V258-I318 HydrophobicContact CG2-CD1 4.5Å; V258-I318 HydrophobicContact CG2-CG1 3.86Å; V258-I318 WeakPolarHBondContact CG2-O 3.45Å; M271-I318 HydrophobicContact CE-CG2 4.31Å; M271-I318 HydrophobicContact SD-CG2 3.82Å; I318-H320 PolarHBondContact O-N 2.72Å; I318-F321 PolarHBondContact O-N 2.74Å; I318-F321 VanDerWaalsContact O-N 3.14Å
319	S	97.5	Very high	96	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-60.8	-25	178.2	78.3	0	0	0	0	113.1	E272 Y273 N317 F321 V322	E272-S319 WeakPolarHBondContact O-CB 3.23Å; Y273-S319 WeakPolarHBondContact CA-OG 3.42Å; Y273-S319 WeakPolarHBondContact CD2-OG 3.35Å; N317-S319 PolarHBondContact O-N 3.39Å; N317-S319 WeakPolarHBondContact OD1-CB 3.49Å; N317-S319 PolarHBondContact OD1-N 3.48Å; N317-S319 PolarHBondContact OD1-OG 3.05Å; S319-F321 PolarHBondContact O-N 3.41Å; S319-F321 VanDerWaalsContact O-N 3.09Å; S319-V322 WeakPolarHBondContact O-CB 3.48Å; S319-V322 PolarHBondContact O-N 3.34Å
320	H	95.8	Very high	96.2	Very high	22 Å²	22	19.3 Å²	19.3	10%	0.102	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-51.8	-30.4	174.8	172.1	97.5	0	0	0	112.5	F160 Y297 A312 N317 I318	F160-H320 AromaticContact CD2-CE1 3.99Å; F160-H320 AromaticContact CD2-ND1 3.95Å; F160-H320 HydrophobicContact CE2-CB 3.81Å; F160-H320 AromaticContact CE2-CG 3.63Å; F160-H320 AromaticContact CE2-ND1 3.85Å; F160-H320 HydrophobicContact CZ-CB 4.35Å; Y297-H320 AromaticContact CD1-CE1 3.6Å; Y297-H320 AromaticContact CD1-ND1 3.65Å; Y297-H320 AromaticContact CE1-CE1 3.22Å; Y297-H320 WeakPolarHBondContact CE1-CE1 3.3Å; Y297-H320 AromaticContact CE1-ND1 3.69Å; Y297-H320 AromaticContact CE1-NE2 3.65Å; Y297-H320 AromaticContact CZ-CE1 3.59Å; Y297-H320 AromaticContact CZ-NE2 3.98Å; A312-H320 PolarHBondContact O-CE1 3.32Å; A312-H320 PolarHBondContact O-ND1 2.93Å; N317-H320 VanDerWaalsContact O-CB 3.3Å; N317-H320 WeakPolarHBondContact O-CB 3.45Å; N317-H320 PolarHBondContact O-N 2.9Å; I318-H320 PolarHBondContact O-N 2.72Å
321	F	96.9	Very high	96.2	Very high	10 Å²	10	21.7 Å²	21.7	4%	0.044	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-98.6	4.8	-176.9	-54.4	-80.7	0	0	0	113.3	W131 P157 F160 I247 W256 G257 V258 I318 S319 N323	W131-F321 AromaticContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE2 4.35Å; W131-F321 AromaticContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CZ2-CE1 4.26Å; W131-F321 HydrophobicContact CZ2-CE2 4.14Å; W131-F321 AromaticContact CZ2-CZ 3.58Å; W131-F321 HydrophobicContact CZ2-CZ 3.58Å; P157-F321 HydrophobicContact CG-CE1 4.24Å; P157-F321 HydrophobicContact CG-CZ 4.12Å; F160-F321 HydrophobicContact CD1-CE2 4.47Å; F160-F321 HydrophobicContact CD1-CZ 4.13Å; F160-F321 AromaticContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CZ 4.01Å; F160-F321 HydrophobicContact CE2-CE2 4.32Å; F160-F321 HydrophobicContact CE2-CZ 4.41Å; F160-F321 HydrophobicContact CG-CZ 4.38Å; F160-F321 AromaticContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CZ 4.16Å; I247-F321 HydrophobicContact CD1-CD2 3.64Å; I247-F321 HydrophobicContact CD1-CE2 3.72Å; I247-F321 HydrophobicContact CD1-CG 4.34Å; I247-F321 HydrophobicContact CD1-CZ 4.47Å; I247-F321 HydrophobicContact CG1-CD2 4.06Å; I247-F321 HydrophobicContact CG1-CG 4.41Å; I247-F321 HydrophobicContact CG2-CB 4.37Å; I247-F321 HydrophobicContact CG2-CD1 4.2Å; I247-F321 HydrophobicContact CG2-CD2 4.43Å; I247-F321 HydrophobicContact CG2-CG 4.07Å; W256-F321 HydrophobicContact CB-CB 4.47Å; W256-F321 HydrophobicContact CB-CD1 3.69Å; W256-F321 HydrophobicContact CB-CE1 4.47Å; W256-F321 HydrophobicContact CB-CG 4.49Å; W256-F321 HydrophobicContact CG-CD1 4.22Å; G257-F321 CarbonylContact C-O 3.54Å; G257-F321 WeakPolarHBondContact CA-O 3.37Å; V258-F321 HydrophobicContact CG2-CB 3.64Å; V258-F321 PolarHBondContact N-O 3.48Å; I318-F321 PolarHBondContact O-N 2.74Å; I318-F321 VanDerWaalsContact O-N 3.14Å; S319-F321 PolarHBondContact O-N 3.41Å; S319-F321 VanDerWaalsContact O-N 3.09Å; F321-N323 PolarHBondContact O-N 3.13Å
322	V	97.6	Very high	96.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-80.9	120.9	-177.7	179.1	0	0	0	0	109	V258 M271 S319 L330 L361 F363 Y365	V258-V322 HydrophobicContact CB-CG2 4.06Å; V258-V322 HydrophobicContact CG2-CG2 3.8Å; M271-V322 HydrophobicContact CE-CG2 4.19Å; M271-V322 HydrophobicContact SD-CG2 3.8Å; S319-V322 WeakPolarHBondContact O-CB 3.48Å; S319-V322 PolarHBondContact O-N 3.34Å; V322-L330 HydrophobicContact CG1-CD1 4.16Å; V322-L361 WeakPolarHBondContact CG1-O 3.31Å; V322-F363 HydrophobicContact CB-CD1 4.31Å; V322-F363 HydrophobicContact CB-CE1 4.29Å; V322-F363 HydrophobicContact CG1-CD1 3.62Å; V322-F363 HydrophobicContact CG1-CE1 4.09Å; V322-Y365 PolarHBondContact O-OH 3.36Å
323	N	96.1	Very high	96.2	Very high	17 Å²	17	22.7 Å²	22.7	9%	0.091	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	162.4	-176.3	-76	-49.5	0	0	0	113.6	W256 G257 F321 E360 T362 F363	W256-N323 PolarHBondContact O-ND2 2.77Å; W256-N323 PolarHBondContact O-OD1 3.33Å; G257-N323 WeakPolarHBondContact CA-ND2 3.32Å; F321-N323 PolarHBondContact O-N 3.13Å; N323-E360 PolarHBondContact ND2-OE1 3.38Å; N323-T362 WeakPolarHBondContact O-CA 3.46Å; N323-T362 WeakPolarHBondContact O-CB 3.23Å; N323-F363 PolarHBondContact O-N 3.16Å
324	H	94.8	Very high	96.3	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.023	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.9	168	177	55.9	0	0	0	112.8	C326 F363 D364 Y365 C400 R408 L411	H324-C326 PolarHBondContact NE2-SG 3.48Å; H324-F363 VanDerWaalsContact CA-O 3.3Å; H324-F363 WeakPolarHBondContact CA-O 3.46Å; H324-F363 PolarHBondContact ND1-O 3.36Å; H324-D364 IonicContact CE1-OD1 2.7Å; H324-D364 PolarHBondContact CE1-OD1 3.21Å; H324-D364 VanDerWaalsContact CE1-OD1 3.23Å; H324-D364 IonicContact ND1-OD1 3.42Å; H324-Y365 HydrophobicContact CB-CD1 3.66Å; H324-Y365 HydrophobicContact CB-CD2 3.84Å; H324-Y365 HydrophobicContact CB-CE1 3.68Å; H324-Y365 HydrophobicContact CB-CE2 3.88Å; H324-Y365 HydrophobicContact CB-CG 3.75Å; H324-Y365 VanDerWaalsContact N-CE1 3.27Å; H324-Y365 PolarHBondContact N-OH 3.31Å; H324-Y365 PolarHBondContact ND1-N 2.88Å; H324-Y365 VanDerWaalsContact ND1-N 3.18Å; H324-C400 PolarHBondContact CD2-SG 2.66Å; H324-R408 PolarHBondContact CE1-NH2 2.96Å; H324-R408 VanDerWaalsContact CE1-NH2 3.25Å; H324-L411 HydrophobicContact CB-CD2 3.91Å; H324-L411 VanDerWaalsContact CD2-CD2 3.48Å; H324-L411 WeakPolarHBondContact CD2-CD2 3.46Å
325	S	95.8	Very high	96.5	Very high	8 Å²	8	16.9 Å²	16.9	6%	0.056	9%	0.086	C	C	.	.			trans	-137.3	145	158.6	-179.8	0	0	0	0	111.4	D327 T362 F363	S325-D327 VanDerWaalsContact C-N 3.27Å; S325-D327 VanDerWaalsContact OG-C 3.28Å; S325-D327 PolarHBondContact OG-N 3.34Å; S325-D327 VanDerWaalsContact OG-N 3.09Å; S325-D327 PolarHBondContact OG-O 2.95Å; S325-T362 VanDerWaalsContact CB-OG1 3.28Å; S325-T362 WeakPolarHBondContact CB-OG1 3.45Å; S325-F363 PolarHBondContact N-O 3.38Å
326	C	94.4	Very high	96.5	Very high	18 Å²	18	14.3 Å²	14.3	12%	0.122	8%	0.076	C	C	.	.	S	Bend	trans	-76.9	-14.3	170.5	-60.3	0	0	0	0	112.9	H324 R408	H324-C326 PolarHBondContact NE2-SG 3.48Å; C326-R408 HydrophobicContact CB-CG 4.46Å; C326-R408 PolarHBondContact SG-N 2.77Å
327	D	94.8	Very high	96.4	Very high	97 Å²	97	14.3 Å²	14.3	52%	0.519	8%	0.076	S	C	.	.	S	Bend	trans	-126.9	76.9	167.4	-178.9	28	0	0	0	108	S325 T404	S325-D327 VanDerWaalsContact C-N 3.27Å; S325-D327 VanDerWaalsContact OG-C 3.28Å; S325-D327 PolarHBondContact OG-N 3.34Å; S325-D327 VanDerWaalsContact OG-N 3.09Å; S325-D327 PolarHBondContact OG-O 2.95Å; D327-T404 HydrophobicContact CB-CG2 3.8Å
328	P	97.2	Very high	96.3	Very high	27 Å²	27	16.5 Å²	16.5	18%	0.175	9%	0.088	C	C	.	.			trans	-76.7	157.2	-172.3	32.5	-37.9	0	0	0	113	T352 T362 F363 D364	P328-T352 PolarHBondContact O-OG1 3.32Å; P328-T362 WeakPolarHBondContact CB-O 3.32Å; P328-F363 VanDerWaalsContact CB-CA 3.48Å; P328-D364 HydrophobicContact CG-CB 4.06Å
329	N	98	Very high	96.1	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	9%	0.093	C	C	.	.	S	Bend	trans	-104.2	-1.9	172.7	59.7	11.2	0	0	0	113.7	A351 T352 I355 E359 E360 L361 T362	N329-A351 CarbonylContact O-C 3.56Å; N329-A351 WeakPolarHBondContact O-CA 3.29Å; N329-T352 WeakPolarHBondContact CA-OG1 3.21Å; N329-T352 PolarHBondContact O-N 3.46Å; N329-T352 PolarHBondContact O-OG1 3.14Å; N329-I355 HydrophobicContact CB-CD1 3.95Å; N329-I355 HydrophobicContact CB-CG1 4.06Å; N329-E359 PolarHBondContact ND2-OE1 3.12Å; N329-E360 PolarHBondContact ND2-O 3.02Å; N329-L361 WeakPolarHBondContact OD1-CA 3.45Å; N329-T362 PolarHBondContact N-O 2.84Å; N329-T362 PolarHBondContact OD1-N 3.42Å; N329-T362 PolarHBondContact OD1-O 3.36Å
330	L	98.2	Very high	95.9	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.7	172.1	-59.5	-179.2	0	0	0	111.5	V270 V322 F349 F350 I355 L361 T362 F363	V270-L330 HydrophobicContact CB-CD2 4.06Å; V270-L330 HydrophobicContact CG1-CD2 4.25Å; V270-L330 HydrophobicContact CG2-CD2 3.67Å; V322-L330 HydrophobicContact CG1-CD1 4.16Å; L330-F349 HydrophobicContact CB-CB 4.38Å; L330-F349 HydrophobicContact CD1-CB 4.14Å; L330-F349 HydrophobicContact CD1-CD2 4.04Å; L330-F349 HydrophobicContact CD1-CG 4.29Å; L330-F350 CarbonylContact C-O 3.12Å; L330-F350 WeakPolarHBondContact CA-O 3.17Å; L330-I355 HydrophobicContact CD2-CD1 4.15Å; L330-L361 HydrophobicContact CD1-CB 3.99Å; L330-T362 WeakPolarHBondContact CB-O 3.48Å; L330-T362 PolarHBondContact N-O 3.37Å; L330-F363 HydrophobicContact CB-CB 4.16Å
331	Q	95.6	Very high	95.8	Very high	51 Å²	51	21 Å²	21	24%	0.238	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.1	173.3	177.3	62.9	59	0	0	109.5	A215 Y333 F349 F350 T352	A215-Q331 HydrophobicContact CB-CG 3.69Å; Q331-Y333 HydrophobicContact CB-CE2 4.15Å; Q331-Y333 HydrophobicContact CG-CD2 4.29Å; Q331-Y333 HydrophobicContact CG-CE2 3.68Å; Q331-F349 WeakPolarHBondContact O-CA 3.22Å; Q331-F350 PolarHBondContact N-O 3.17Å; Q331-F350 PolarHBondContact O-N 2.8Å; Q331-T352 HydrophobicContact CB-CG2 3.57Å
332	V	95	Very high	95.6	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.036	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	142.1	178.5	-170.8	0	0	0	0	111.6	F299 I347 A348 F349 M367	F299-V332 HydrophobicContact CE2-CG2 4.48Å; F299-V332 HydrophobicContact CZ-CG1 3.98Å; F299-V332 HydrophobicContact CZ-CG2 4.33Å; V332-I347 HydrophobicContact CG1-CG2 3.51Å; V332-A348 CarbonylContact C-O 3.55Å; V332-A348 WeakPolarHBondContact CA-O 3.17Å; V332-F349 HydrophobicContact CB-CD1 4.39Å; V332-F349 HydrophobicContact CB-CE1 4.43Å; V332-F349 HydrophobicContact CG1-CE1 4.42Å; V332-F349 HydrophobicContact CG2-CD1 3.81Å; V332-F349 HydrophobicContact CG2-CE1 3.55Å; V332-M367 HydrophobicContact CB-CE 3.27Å; V332-M367 HydrophobicContact CB-SD 4.3Å; V332-M367 HydrophobicContact CG1-CE 3.87Å; V332-M367 HydrophobicContact CG2-CE 3.29Å; V332-M367 HydrophobicContact CG2-SD 3.74Å
333	Y	95.3	Very high	95.3	Very high	17 Å²	17	27.7 Å²	27.7	7%	0.067	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140	170.2	-72.7	-99.8	0	0	0	110.1	V211 L213 R214 A215 I219 Q331 A348 F350	V211-Y333 HydrophobicContact CG1-CE2 4.26Å; V211-Y333 HydrophobicContact CG2-CD1 4.37Å; V211-Y333 HydrophobicContact CG2-CE1 3.88Å; L213-Y333 HydrophobicContact CB-CE1 4.5Å; L213-Y333 PolarHBondContact O-OH 3.25Å; L213-Y333 VanDerWaalsContact O-OH 3.12Å; R214-Y333 WeakPolarHBondContact O-CE1 3.41Å; A215-Y333 PolarHBondContact N-OH 3.18Å; I219-Y333 HydrophobicContact CD1-CD1 3.71Å; I219-Y333 HydrophobicContact CD1-CG 3.88Å; I219-Y333 HydrophobicContact CG1-CD1 4.15Å; Q331-Y333 HydrophobicContact CB-CE2 4.15Å; Q331-Y333 HydrophobicContact CG-CD2 4.29Å; Q331-Y333 HydrophobicContact CG-CE2 3.68Å; Y333-A348 PolarHBondContact N-O 3.49Å; Y333-A348 PolarHBondContact O-N 2.69Å; Y333-F350 HydrophobicContact CD2-CB 4.04Å; Y333-F350 AromaticContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CE2 4.36Å; Y333-F350 HydrophobicContact CD2-CG 4.07Å; Y333-F350 HydrophobicContact CE2-CB 3.95Å; Y333-F350 HydrophobicContact CE2-CD2 4.25Å; Y333-F350 HydrophobicContact CE2-CG 4.3Å; Y333-F350 HydrophobicContact CG-CD2 4.09Å; Y333-F350 HydrophobicContact CG-CE2 4.47Å
334	N	95.7	Very high	95.2	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.8	168.6	-68.4	-51.2	0	0	0	109.7	I219 Y303 P345 I347 T377	I219-N334 PolarHBondContact N-O 2.81Å; Y303-N334 HydrophobicContact CD2-CB 4.29Å; Y303-N334 WeakPolarHBondContact CD2-ND2 3.15Å; Y303-N334 HydrophobicContact CG-CB 4.32Å; N334-P345 HydrophobicContact CB-CB 3.82Å; N334-P345 HydrophobicContact CB-CG 4.43Å; N334-P345 WeakPolarHBondContact OD1-CG 3.15Å; N334-I347 VanDerWaalsContact OD1-CD1 3.24Å; N334-I347 WeakPolarHBondContact OD1-CD1 3.5Å; N334-T377 WeakPolarHBondContact OD1-CG2 3.5Å
335	V	96.9	Very high	95.2	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.1	-173	-170.3	0	0	0	0	110.7	I219 E221 V237 I337 R346 A348	I219-V335 HydrophobicContact CB-CG1 4.31Å; I219-V335 HydrophobicContact CB-CG2 4.19Å; I219-V335 HydrophobicContact CD1-CG2 4.39Å; I219-V335 HydrophobicContact CG2-CG1 4.22Å; I219-V335 CarbonylContact O-C 3.45Å; I219-V335 WeakPolarHBondContact O-CA 3.07Å; E221-V335 HydrophobicContact CG-CG1 4.04Å; V237-V335 HydrophobicContact CB-CG1 4.34Å; V237-V335 HydrophobicContact CG2-CG1 4.21Å; V237-V335 HydrophobicContact CG2-CG2 4.18Å; V335-I337 HydrophobicContact CG1-CD1 4.13Å; V335-I337 HydrophobicContact CG1-CG1 3.93Å; V335-R346 HydrophobicContact CB-CB 4.23Å; V335-R346 PolarHBondContact N-O 3.43Å; V335-R346 WeakPolarHBondContact O-CB 3.36Å; V335-R346 PolarHBondContact O-N 3.23Å; V335-A348 HydrophobicContact CG2-CB 3.51Å
336	F	96.9	Very high	95.2	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130	177.6	-59	-73.1	0	0	0	109.7	P218 I219 Y220 E221 Y303 L340 E342 P345	P218-F336 HydrophobicContact CB-CD2 4.05Å; P218-F336 HydrophobicContact CB-CE2 3.75Å; I219-F336 PolarHBondContact O-N 2.95Å; Y220-F336 HydrophobicContact CD1-CB 3.69Å; Y220-F336 HydrophobicContact CD1-CD2 4.35Å; Y220-F336 HydrophobicContact CD1-CG 4.38Å; Y220-F336 HydrophobicContact CD2-CD2 4.47Å; Y220-F336 HydrophobicContact CE1-CB 3.68Å; Y220-F336 AromaticContact CE1-CD2 3.85Å; Y220-F336 HydrophobicContact CE1-CD2 3.85Å; Y220-F336 AromaticContact CE1-CG 3.94Å; Y220-F336 HydrophobicContact CE1-CG 3.94Å; Y220-F336 AromaticContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CG-CB 4.4Å; Y220-F336 AromaticContact CZ-CD2 3.65Å; E221-F336 PolarHBondContact N-O 3.18Å; Y303-F336 HydrophobicContact CD1-CE2 4.25Å; Y303-F336 AromaticContact CD1-CZ 3.87Å; Y303-F336 HydrophobicContact CD1-CZ 3.87Å; Y303-F336 AromaticContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CZ 4.01Å; F336-L340 HydrophobicContact CB-CD2 3.9Å; F336-E342 HydrophobicContact CE1-CB 4.38Å; F336-E342 HydrophobicContact CE1-CG 4.39Å; F336-E342 HydrophobicContact CZ-CB 4.09Å; F336-E342 HydrophobicContact CZ-CG 4.07Å; F336-P345 HydrophobicContact CE1-CB 3.68Å; F336-P345 HydrophobicContact CZ-CB 3.7Å
337	I	97	Very high	95.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.138	C	C	.	.	S	Bend	trans	-134.1	-94.9	-175.6	-44.4	-167.9	0	0	0	108.6	E221 N223 Q238 V335	E221-I337 HydrophobicContact CB-CD1 4.21Å; E221-I337 HydrophobicContact CB-CG1 3.98Å; E221-I337 HydrophobicContact CB-CG2 4.36Å; E221-I337 HydrophobicContact CG-CD1 4.25Å; E221-I337 HydrophobicContact CG-CG1 4.3Å; N223-I337 HydrophobicContact CB-CG2 4.35Å; N223-I337 WeakPolarHBondContact CB-O 3.22Å; Q238-I337 HydrophobicContact CB-CD1 3.97Å; V335-I337 HydrophobicContact CG1-CD1 4.13Å; V335-I337 HydrophobicContact CG1-CG1 3.93Å
338	D	95.6	Very high	95.4	Very high	53 Å²	53	24 Å²	24	28%	0.283	11%	0.114	S	C	.	.	S	Bend	trans	-85.4	-18.7	179.8	-66.4	-65.2	0	0	0	112.9	Q176 V177 S224	Q176-D338 CarbonylContact C-O 3.54Å; Q176-D338 VanDerWaalsContact CA-O 3.31Å; Q176-D338 WeakPolarHBondContact CA-O 3.45Å; V177-D338 PolarHBondContact N-O 3.32Å; S224-D338 WeakPolarHBondContact CB-OD1 3.21Å; S224-D338 PolarHBondContact N-OD1 3.46Å; S224-D338 PolarHBondContact OG-OD1 3.04Å
339	N	93.8	Very high	95.4	Very high	21 Å²	21	22.7 Å²	22.7	11%	0.112	11%	0.105	C	C	.	.			trans	-112	127.5	169	175.6	48	0	0	0	108.6	N175 D341 L344	N175-N339 WeakPolarHBondContact O-CA 3.47Å; N175-N339 PolarHBondContact O-OD1 3.23Å; N339-D341 WeakPolarHBondContact OD1-CB 2.95Å; N339-D341 PolarHBondContact OD1-N 3.07Å; N339-L344 VanDerWaalsContact ND2-CB 3.32Å; N339-L344 WeakPolarHBondContact ND2-CB 3.38Å; N339-L344 PolarHBondContact ND2-O 3.28Å; N339-L344 VanDerWaalsContact ND2-O 3.14Å
340	L	93.3	Very high	95.4	Very high	67 Å²	67	22.6 Å²	22.6	35%	0.351	11%	0.105	S	C	.	.			trans	-109	7.5	177.2	-56.7	-171.4	0	0	0	112.5	V177 Y220 F336 E342	V177-L340 HydrophobicContact CB-CD1 4.37Å; V177-L340 HydrophobicContact CB-CG 4.15Å; V177-L340 HydrophobicContact CG2-CD1 3.5Å; V177-L340 VanDerWaalsContact CG2-CD1 3.5Å; V177-L340 HydrophobicContact CG2-CG 3.82Å; Y220-L340 HydrophobicContact CD1-CD2 4.1Å; Y220-L340 HydrophobicContact CE1-CD2 4.12Å; F336-L340 HydrophobicContact CB-CD2 3.9Å; L340-E342 PolarHBondContact O-N 3.18Å; L340-E342 VanDerWaalsContact O-N 3.15Å
341	D	92.9	Very high	95.5	Very high	31 Å²	31	22.6 Å²	22.6	17%	0.166	11%	0.105	C	C	.	.			trans	-66.5	110.6	169	-170.5	-23.1	0	0	0	108.8	N339 R343 L344	N339-D341 WeakPolarHBondContact OD1-CB 2.95Å; N339-D341 PolarHBondContact OD1-N 3.07Å; D341-R343 PolarHBondContact O-N 3.16Å; D341-R343 VanDerWaalsContact O-N 3.1Å; D341-R343 WeakPolarHBondContact OD1-CB 3.49Å; D341-R343 WeakPolarHBondContact OD1-CG 3Å; D341-R343 IonicContact OD1-CZ 3.11Å; D341-R343 PolarHBondContact OD1-N 3.5Å; D341-R343 VanDerWaalsContact OD1-N 3.14Å; D341-R343 IonicContact OD1-NE 2.66Å; D341-R343 PolarHBondContact OD1-NE 3.33Å; D341-R343 IonicContact OD1-NH2 3.7Å; D341-R343 IonicContact OD2-CZ 3.27Å; D341-R343 IonicContact OD2-NE 2.73Å; D341-R343 PolarHBondContact OD2-NE 3.45Å; D341-R343 IonicContact OD2-NH2 3.61Å; D341-R343 PolarHBondContact OD2-NH2 2.87Å; D341-L344 CarbonylContact O-C 3.58Å; D341-L344 PolarHBondContact O-N 3.07Å
342	E	92.2	Very high	95.5	Very high	66 Å²	66	22.3 Å²	22.3	31%	0.308	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.5	-174.8	-65.8	-168.6	146.6	0	0	113.6	Y220 Y303 V304 F336 L340 L344	Y220-E342 PolarHBondContact OH-OE1 3.3Å; Y303-E342 HydrophobicContact CD1-CB 4.26Å; Y303-E342 HydrophobicContact CE1-CB 4.32Å; Y303-E342 HydrophobicContact CE1-CG 4.47Å; V304-E342 HydrophobicContact CB-CB 4.48Å; V304-E342 HydrophobicContact CG1-CB 3.68Å; V304-E342 WeakPolarHBondContact CG1-OE2 3.48Å; V304-E342 HydrophobicContact CG2-CB 3.93Å; F336-E342 HydrophobicContact CE1-CB 4.38Å; F336-E342 HydrophobicContact CE1-CG 4.39Å; F336-E342 HydrophobicContact CZ-CB 4.09Å; F336-E342 HydrophobicContact CZ-CG 4.07Å; L340-E342 PolarHBondContact O-N 3.18Å; L340-E342 VanDerWaalsContact O-N 3.15Å; E342-L344 VanDerWaalsContact C-N 3.27Å
343	R	91.7	Very high	95.7	Very high	85 Å²	85	26.7 Å²	26.7	32%	0.321	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-15.6	173.2	-56.8	171.9	-63.1	167.8	5.5	113	V304 Y308 D341 P345	V304-R343 HydrophobicContact CG2-CB 4.36Å; V304-R343 HydrophobicContact CG2-CG 3.67Å; Y308-R343 HydrophobicContact CD2-CB 3.98Å; Y308-R343 WeakPolarHBondContact CD2-O 3.43Å; Y308-R343 HydrophobicContact CE2-CB 4Å; D341-R343 PolarHBondContact O-N 3.16Å; D341-R343 VanDerWaalsContact O-N 3.1Å; D341-R343 WeakPolarHBondContact OD1-CB 3.49Å; D341-R343 WeakPolarHBondContact OD1-CG 3Å; D341-R343 IonicContact OD1-CZ 3.11Å; D341-R343 PolarHBondContact OD1-N 3.5Å; D341-R343 VanDerWaalsContact OD1-N 3.14Å; D341-R343 IonicContact OD1-NE 2.66Å; D341-R343 PolarHBondContact OD1-NE 3.33Å; D341-R343 IonicContact OD1-NH2 3.7Å; D341-R343 IonicContact OD2-CZ 3.27Å; D341-R343 IonicContact OD2-NE 2.73Å; D341-R343 PolarHBondContact OD2-NE 3.45Å; D341-R343 IonicContact OD2-NH2 3.61Å; D341-R343 PolarHBondContact OD2-NH2 2.87Å; R343-P345 WeakPolarHBondContact O-CD 3.37Å
344	L	93.4	Very high	95.8	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	14%	0.138	C	C	.	.	S	Bend	trans	-126.9	57.7	-175.6	-69	169.2	0	0	0	111.1	I172 L174 I277 L301 Y308 N339 D341 E342	I172-L344 HydrophobicContact CG2-CD1 4.1Å; I172-L344 HydrophobicContact CG2-CD2 4.43Å; L174-L344 HydrophobicContact CD2-CB 4.09Å; L174-L344 HydrophobicContact CD2-CD1 3.74Å; L174-L344 HydrophobicContact CD2-CG 4.4Å; I277-L344 HydrophobicContact CD1-CD2 4.15Å; I277-L344 HydrophobicContact CG2-CD2 3.69Å; L301-L344 HydrophobicContact CD1-CD2 4.22Å; Y308-L344 HydrophobicContact CD1-CD2 4.31Å; Y308-L344 HydrophobicContact CD2-CD1 4.32Å; Y308-L344 HydrophobicContact CD2-CD2 3.33Å; Y308-L344 HydrophobicContact CD2-CG 3.64Å; Y308-L344 HydrophobicContact CE2-CD1 3.96Å; Y308-L344 HydrophobicContact CE2-CD2 3.82Å; Y308-L344 HydrophobicContact CE2-CG 3.75Å; Y308-L344 HydrophobicContact CG-CD2 3.6Å; Y308-L344 HydrophobicContact CG-CG 4.4Å; N339-L344 VanDerWaalsContact ND2-CB 3.32Å; N339-L344 WeakPolarHBondContact ND2-CB 3.38Å; N339-L344 PolarHBondContact ND2-O 3.28Å; N339-L344 VanDerWaalsContact ND2-O 3.14Å; D341-L344 CarbonylContact O-C 3.58Å; D341-L344 PolarHBondContact O-N 3.07Å; E342-L344 VanDerWaalsContact C-N 3.27Å
345	P	94.9	Very high	96	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.			trans	-68.1	154	175.1	30.7	-33.6	0	0	0	111.1	L301 N334 F336 R343 I347	L301-P345 HydrophobicContact CB-CG 4.45Å; L301-P345 HydrophobicContact CD2-CG 4.25Å; N334-P345 HydrophobicContact CB-CB 3.82Å; N334-P345 HydrophobicContact CB-CG 4.43Å; N334-P345 WeakPolarHBondContact OD1-CG 3.15Å; F336-P345 HydrophobicContact CE1-CB 3.68Å; F336-P345 HydrophobicContact CZ-CB 3.7Å; R343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-I347 HydrophobicContact CG-CD1 4.23Å
346	R	96.3	Very high	96.1	Very high	58 Å²	58	37.9 Å²	37.9	22%	0.219	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135	160.1	-65.5	169.7	66.5	154	2.3	109	Y166 E272 V335	Y166-R346 HydrophobicContact CE2-CB 4.4Å; Y166-R346 HydrophobicContact CE2-CG 4.02Å; E272-R346 IonicContact OE1-CZ 3.61Å; E272-R346 IonicContact OE1-NE 3.37Å; E272-R346 PolarHBondContact OE1-NE 2.81Å; E272-R346 IonicContact OE1-NH2 2.77Å; E272-R346 PolarHBondContact OE1-NH2 2.67Å; E272-R346 IonicContact OE2-CZ 2.93Å; E272-R346 IonicContact OE2-NH2 3.32Å; E272-R346 PolarHBondContact OE2-NH2 2.82Å; V335-R346 HydrophobicContact CB-CB 4.23Å; V335-R346 PolarHBondContact N-O 3.43Å; V335-R346 WeakPolarHBondContact O-CB 3.36Å; V335-R346 PolarHBondContact O-N 3.23Å
347	I	95.9	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.2	179.8	-58.6	-52.5	0	0	0	109.2	Y166 E272 Y273 F299 L301 V332 N334 P345 F349 T377	Y166-I347 PolarHBondContact OH-N 3.33Å; E272-I347 CarbonylContact C-O 3.56Å; E272-I347 WeakPolarHBondContact CA-O 3.38Å; E272-I347 WeakPolarHBondContact CB-O 3.47Å; Y273-I347 PolarHBondContact N-O 2.97Å; F299-I347 HydrophobicContact CD1-CD1 4.42Å; F299-I347 HydrophobicContact CD1-CG1 4.13Å; F299-I347 HydrophobicContact CE1-CD1 3.84Å; F299-I347 HydrophobicContact CE1-CG1 3.92Å; F299-I347 HydrophobicContact CE1-CG2 3.96Å; F299-I347 HydrophobicContact CE2-CG2 4.17Å; F299-I347 HydrophobicContact CZ-CG2 3.8Å; L301-I347 HydrophobicContact CD2-CD1 3.65Å; L301-I347 HydrophobicContact CD2-CG1 3.63Å; V332-I347 HydrophobicContact CG1-CG2 3.51Å; N334-I347 VanDerWaalsContact OD1-CD1 3.24Å; N334-I347 WeakPolarHBondContact OD1-CD1 3.5Å; P345-I347 HydrophobicContact CG-CD1 4.23Å; I347-F349 HydrophobicContact CG2-CE1 4.22Å; I347-T377 HydrophobicContact CD1-CG2 3.96Å
348	A	97.6	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.5	-178.7	0	0	0	0	0	112.2	V237 F269 E272 V332 Y333 V335 F350	V237-A348 HydrophobicContact CG1-CB 4.17Å; V237-A348 HydrophobicContact CG2-CB 3.95Å; F269-A348 HydrophobicContact CD2-CB 4.19Å; F269-A348 HydrophobicContact CE2-CB 3.95Å; E272-A348 HydrophobicContact CG-CB 4.45Å; V332-A348 CarbonylContact C-O 3.55Å; V332-A348 WeakPolarHBondContact CA-O 3.17Å; Y333-A348 PolarHBondContact N-O 3.49Å; Y333-A348 PolarHBondContact O-N 2.69Å; V335-A348 HydrophobicContact CG2-CB 3.51Å; A348-F350 HydrophobicContact CB-CD2 4.32Å; A348-F350 HydrophobicContact CB-CE2 3.82Å
349	F	98.1	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.3	174	-62.1	-27.7	0	0	0	111.4	V270 M271 Y273 L330 Q331 V332 I347 F363	V270-F349 PolarHBondContact N-O 2.71Å; M271-F349 HydrophobicContact CG-CB 4.32Å; M271-F349 HydrophobicContact CG-CD2 3.63Å; M271-F349 HydrophobicContact CG-CE2 4.46Å; M271-F349 HydrophobicContact CG-CG 4.41Å; M271-F349 PolarHBondContact O-N 3.44Å; M271-F349 HydrophobicContact SD-CD2 4.19Å; Y273-F349 HydrophobicContact CD2-CE2 4.17Å; Y273-F349 AromaticContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CG-CZ 4.29Å; L330-F349 HydrophobicContact CB-CB 4.38Å; L330-F349 HydrophobicContact CD1-CB 4.14Å; L330-F349 HydrophobicContact CD1-CD2 4.04Å; L330-F349 HydrophobicContact CD1-CG 4.29Å; Q331-F349 WeakPolarHBondContact O-CA 3.22Å; V332-F349 HydrophobicContact CB-CD1 4.39Å; V332-F349 HydrophobicContact CB-CE1 4.43Å; V332-F349 HydrophobicContact CG1-CE1 4.42Å; V332-F349 HydrophobicContact CG2-CD1 3.81Å; V332-F349 HydrophobicContact CG2-CE1 3.55Å; I347-F349 HydrophobicContact CG2-CE1 4.22Å; F349-F363 HydrophobicContact CE2-CD1 4.4Å; F349-F363 HydrophobicContact CZ-CD1 4.13Å; F349-F363 HydrophobicContact CZ-CD2 4.5Å; F349-F363 HydrophobicContact CZ-CE1 4.16Å; F349-F363 HydrophobicContact CZ-CG 4.3Å; F349-F363 HydrophobicContact CZ-CZ 4.37Å
350	F	98.3	Very high	96.6	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.1	173.8	-74.7	-101.9	0	0	0	110.5	Y205 V211 I219 V237 N267 S268 F269 L330 Q331 Y333 A348	Y205-F350 AromaticContact CE1-CE1 3.92Å; Y205-F350 HydrophobicContact CE1-CE1 3.92Å; Y205-F350 AromaticContact CE1-CZ 3.8Å; Y205-F350 HydrophobicContact CE1-CZ 3.8Å; V211-F350 HydrophobicContact CB-CD1 3.79Å; V211-F350 HydrophobicContact CB-CE1 3.89Å; V211-F350 HydrophobicContact CB-CG 4.41Å; V211-F350 HydrophobicContact CG1-CB 4.07Å; V211-F350 HydrophobicContact CG1-CD1 3.58Å; V211-F350 HydrophobicContact CG1-CE1 4.21Å; V211-F350 HydrophobicContact CG1-CG 3.92Å; I219-F350 HydrophobicContact CD1-CE2 3.99Å; I219-F350 HydrophobicContact CD1-CZ 4.14Å; V237-F350 HydrophobicContact CG2-CE2 4.12Å; V237-F350 HydrophobicContact CG2-CZ 3.91Å; N267-F350 WeakPolarHBondContact O-CD1 3.42Å; S268-F350 VanDerWaalsContact C-CD1 3.48Å; S268-F350 WeakPolarHBondContact O-CA 3.26Å; F269-F350 VanDerWaalsContact CA-CD1 3.5Å; F269-F350 HydrophobicContact CB-CD1 4.02Å; F269-F350 HydrophobicContact CB-CE1 3.55Å; F269-F350 HydrophobicContact CB-CE2 4.45Å; F269-F350 HydrophobicContact CB-CZ 3.79Å; F269-F350 HydrophobicContact CD2-CE2 4.08Å; F269-F350 HydrophobicContact CD2-CZ 4.12Å; F269-F350 HydrophobicContact CG-CZ 4.38Å; L330-F350 CarbonylContact C-O 3.12Å; L330-F350 WeakPolarHBondContact CA-O 3.17Å; Q331-F350 PolarHBondContact N-O 3.17Å; Q331-F350 PolarHBondContact O-N 2.8Å; Y333-F350 HydrophobicContact CD2-CB 4.04Å; Y333-F350 AromaticContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CE2 4.36Å; Y333-F350 HydrophobicContact CD2-CG 4.07Å; Y333-F350 HydrophobicContact CE2-CB 3.95Å; Y333-F350 HydrophobicContact CE2-CD2 4.25Å; Y333-F350 HydrophobicContact CE2-CG 4.3Å; Y333-F350 HydrophobicContact CG-CD2 4.09Å; Y333-F350 HydrophobicContact CG-CE2 4.47Å; A348-F350 HydrophobicContact CB-CD2 4.32Å; A348-F350 HydrophobicContact CB-CE2 3.82Å
351	A	98.4	Very high	96.8	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.7	178.8	0	0	0	0	0	111.9	I264 N267 S268 V270 N329 R353 I355	I264-A351 HydrophobicContact CG2-CB 3.91Å; N267-A351 WeakPolarHBondContact CA-O 3.44Å; N267-A351 PolarHBondContact N-O 3.19Å; S268-A351 PolarHBondContact O-N 2.78Å; V270-A351 HydrophobicContact CG2-CB 4.25Å; N329-A351 CarbonylContact O-C 3.56Å; N329-A351 WeakPolarHBondContact O-CA 3.29Å; A351-R353 WeakPolarHBondContact CB-O 3.15Å; A351-I355 HydrophobicContact CB-CD1 3.85Å; A351-I355 HydrophobicContact CB-CG1 4.27Å
352	T	97	Very high	97.1	Very high	45 Å²	45	38.9 Å²	38.9	28%	0.276	20%	0.195	S	C	.	.	S	Bend	trans	-79.8	-24.8	178.8	61.6	0	0	0	0	112.7	K266 P328 N329 Q331	K266-T352 WeakPolarHBondContact CD-O 3.34Å; K266-T352 WeakPolarHBondContact CE-O 3.24Å; K266-T352 WeakPolarHBondContact CG-O 3.5Å; P328-T352 PolarHBondContact O-OG1 3.32Å; N329-T352 WeakPolarHBondContact CA-OG1 3.21Å; N329-T352 PolarHBondContact O-N 3.46Å; N329-T352 PolarHBondContact O-OG1 3.14Å; Q331-T352 HydrophobicContact CB-CG2 3.57Å
353	R	98	Very high	97.3	Very high	98 Å²	98	35.9 Å²	35.9	37%	0.37	18%	0.18	S	C	.	.	S	Bend	trans	-143.7	177.9	176.6	59.9	170.4	174	73.6	0	110.1	K266 A351 I355 E359	K266-R353 WeakPolarHBondContact CA-O 3.34Å; A351-R353 WeakPolarHBondContact CB-O 3.15Å; R353-I355 PolarHBondContact O-N 2.94Å; R353-E359 IonicContact CZ-OE1 2.74Å; R353-E359 IonicContact NH1-OE1 3.67Å; R353-E359 PolarHBondContact NH1-OE1 2.91Å; R353-E359 IonicContact NH1-OE2 3.91Å; R353-E359 PolarHBondContact NH1-OE2 3.32Å; R353-E359 IonicContact NH2-OE1 3.86Å; R353-E359 PolarHBondContact NH2-OE1 3.23Å
354	T	98.6	Very high	97.3	Very high	62 Å²	62	32.6 Å²	32.6	38%	0.38	17%	0.169	S	C	.	.			trans	-68.4	131	169.3	-64	0	0	0	0	109	K263 I264 K266	K263-T354 HydrophobicContact CD-CG2 4.3Å; K263-T354 HydrophobicContact CG-CG2 4.04Å; I264-T354 CarbonylContact O-C 3.52Å; I264-T354 WeakPolarHBondContact O-CA 3.01Å; K266-T354 PolarHBondContact N-OG1 3.27Å
355	I	98.8	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-108.4	132.7	179.9	-53.3	176.8	0	0	0	108	T260 K263 I264 N329 L330 A351 R353 E359 L361	T260-I355 HydrophobicContact CG2-CG2 3.78Å; K263-I355 WeakPolarHBondContact CA-O 3.09Å; I264-I355 HydrophobicContact CB-CB 4.16Å; I264-I355 PolarHBondContact N-O 3.1Å; I264-I355 PolarHBondContact O-N 3.15Å; N329-I355 HydrophobicContact CB-CD1 3.95Å; N329-I355 HydrophobicContact CB-CG1 4.06Å; L330-I355 HydrophobicContact CD2-CD1 4.15Å; A351-I355 HydrophobicContact CB-CD1 3.85Å; A351-I355 HydrophobicContact CB-CG1 4.27Å; R353-I355 PolarHBondContact O-N 2.94Å; I355-E359 HydrophobicContact CG2-CB 3.77Å; I355-E359 HydrophobicContact CG2-CG 4.12Å; I355-L361 HydrophobicContact CD1-CD2 3.7Å; I355-L361 HydrophobicContact CG2-CD2 3.99Å
356	R	98.6	Very high	96.2	Very high	196 Å²	196	33.5 Å²	33.5	74%	0.74	17%	0.173	S	C	*	.			trans	-84.3	154.7	-177.6	-61.9	178.2	-178.1	171.1	1.3	110.9	T260 G358 E359	T260-R356 WeakPolarHBondContact CG2-O 3.04Å; R356-G358 PolarHBondContact O-N 2.89Å; R356-E359 HydrophobicContact CB-CB 4.5Å; R356-E359 PolarHBondContact N-OE2 2.81Å; R356-E359 WeakPolarHBondContact O-CB 3.46Å; R356-E359 PolarHBondContact O-N 2.78Å; R356-E359 VanDerWaalsContact O-N 3.1Å
357	A	98.5	Very high	95	Very high	65 Å²	65	31.1 Å²	31.1	54%	0.537	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	133.3	169.7	0	0	0	0	0	110.2	E359	A357-E359 VanDerWaalsContact C-N 3.33Å
358	G	98.3	Very high	93	Very high	43 Å²	43	37.5 Å²	37.5	44%	0.443	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-6.5	-176.4	0	0	0	0	0	115.1	T260 R356	T260-G358 WeakPolarHBondContact O-CA 3.26Å; T260-G358 PolarHBondContact O-N 2.78Å; R356-G358 PolarHBondContact O-N 2.89Å
359	E	98.6	Very high	90.8	Very high	40 Å²	40	39.2 Å²	39.2	19%	0.187	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-77.7	136.1	-179.9	-164	-174.9	138.7	0	0	111.5	R259 T260 N329 R353 I355 R356 A357	R259-E359 VanDerWaalsContact CA-O 3.26Å; R259-E359 WeakPolarHBondContact CA-O 3.49Å; R259-E359 WeakPolarHBondContact CB-O 3.49Å; T260-E359 PolarHBondContact N-O 2.93Å; N329-E359 PolarHBondContact ND2-OE1 3.12Å; R353-E359 IonicContact CZ-OE1 2.74Å; R353-E359 IonicContact NH1-OE1 3.67Å; R353-E359 PolarHBondContact NH1-OE1 2.91Å; R353-E359 IonicContact NH1-OE2 3.91Å; R353-E359 PolarHBondContact NH1-OE2 3.32Å; R353-E359 IonicContact NH2-OE1 3.86Å; R353-E359 PolarHBondContact NH2-OE1 3.23Å; I355-E359 HydrophobicContact CG2-CB 3.77Å; I355-E359 HydrophobicContact CG2-CG 4.12Å; R356-E359 HydrophobicContact CB-CB 4.5Å; R356-E359 PolarHBondContact N-OE2 2.81Å; R356-E359 WeakPolarHBondContact O-CB 3.46Å; R356-E359 PolarHBondContact O-N 2.78Å; R356-E359 VanDerWaalsContact O-N 3.1Å; A357-E359 VanDerWaalsContact C-N 3.33Å
360	E	98.7	Very high	88.2	Confident	36 Å²	36	45 Å²	45	17%	0.168	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.8	175	-174.4	176.1	-171.2	0	0	110.5	F248 R254 V258 N323 N329 T362	F248-E360 HydrophobicContact CE1-CB 4.21Å; F248-E360 HydrophobicContact CE1-CG 3.9Å; F248-E360 HydrophobicContact CZ-CB 4.05Å; F248-E360 HydrophobicContact CZ-CG 3.86Å; R254-E360 IonicContact CZ-OE1 2.7Å; R254-E360 IonicContact CZ-OE2 2.72Å; R254-E360 VanDerWaalsContact NH1-CD 3.29Å; R254-E360 IonicContact NH1-OE1 3.45Å; R254-E360 PolarHBondContact NH1-OE1 3.22Å; R254-E360 IonicContact NH1-OE2 3.28Å; R254-E360 PolarHBondContact NH1-OE2 2.7Å; R254-E360 IonicContact NH2-OE1 2.69Å; R254-E360 IonicContact NH2-OE2 2.74Å; R254-E360 PolarHBondContact NH2-OE2 2.9Å; V258-E360 CarbonylContact O-C 3.46Å; V258-E360 WeakPolarHBondContact O-CA 3.28Å; V258-E360 WeakPolarHBondContact O-CG 3.44Å; N323-E360 PolarHBondContact ND2-OE1 3.38Å; N329-E360 PolarHBondContact ND2-O 3.02Å; E360-T362 HydrophobicContact CG-CG2 3.91Å
361	L	98.8	Very high	85.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.2	173.2	-59.2	-177.1	0	0	0	108.4	L245 V258 T260 I264 V270 M271 V322 N329 L330 I355	L245-L361 HydrophobicContact CD2-CD1 3.87Å; V258-L361 HydrophobicContact CG1-CD1 3.99Å; V258-L361 PolarHBondContact O-N 2.91Å; T260-L361 HydrophobicContact CG2-CD2 4.37Å; I264-L361 HydrophobicContact CD1-CD2 4.29Å; V270-L361 HydrophobicContact CG1-CD1 3.87Å; M271-L361 HydrophobicContact CE-CD1 3.54Å; V322-L361 WeakPolarHBondContact CG1-O 3.31Å; N329-L361 WeakPolarHBondContact OD1-CA 3.45Å; L330-L361 HydrophobicContact CD1-CB 3.99Å; I355-L361 HydrophobicContact CD1-CD2 3.7Å; I355-L361 HydrophobicContact CG2-CD2 3.99Å
362	T	98.3	Very high	82.8	Confident	11 Å²	11	56.3 Å²	56.3	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.9	-176.6	58.8	0	0	0	0	111	N323 S325 P328 N329 L330 E360	N323-T362 WeakPolarHBondContact O-CA 3.46Å; N323-T362 WeakPolarHBondContact O-CB 3.23Å; S325-T362 VanDerWaalsContact CB-OG1 3.28Å; S325-T362 WeakPolarHBondContact CB-OG1 3.45Å; P328-T362 WeakPolarHBondContact CB-O 3.32Å; N329-T362 PolarHBondContact N-O 2.84Å; N329-T362 PolarHBondContact OD1-N 3.42Å; N329-T362 PolarHBondContact OD1-O 3.36Å; L330-T362 WeakPolarHBondContact CB-O 3.48Å; L330-T362 PolarHBondContact N-O 3.37Å; E360-T362 HydrophobicContact CG-CG2 3.91Å
363	F	95.9	Very high	80.3	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.009	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	164.8	171.3	74.4	-76.6	0	0	0	110.7	F299 V322 N323 H324 S325 P328 L330 F349 Y365 M379	F299-F363 HydrophobicContact CE2-CE2 4.3Å; V322-F363 HydrophobicContact CB-CD1 4.31Å; V322-F363 HydrophobicContact CB-CE1 4.29Å; V322-F363 HydrophobicContact CG1-CD1 3.62Å; V322-F363 HydrophobicContact CG1-CE1 4.09Å; N323-F363 PolarHBondContact O-N 3.16Å; H324-F363 VanDerWaalsContact CA-O 3.3Å; H324-F363 WeakPolarHBondContact CA-O 3.46Å; H324-F363 PolarHBondContact ND1-O 3.36Å; S325-F363 PolarHBondContact N-O 3.38Å; P328-F363 VanDerWaalsContact CB-CA 3.48Å; L330-F363 HydrophobicContact CB-CB 4.16Å; F349-F363 HydrophobicContact CE2-CD1 4.4Å; F349-F363 HydrophobicContact CZ-CD1 4.13Å; F349-F363 HydrophobicContact CZ-CD2 4.5Å; F349-F363 HydrophobicContact CZ-CE1 4.16Å; F349-F363 HydrophobicContact CZ-CG 4.3Å; F349-F363 HydrophobicContact CZ-CZ 4.37Å; F363-Y365 HydrophobicContact CD1-CD1 4.23Å; F363-Y365 AromaticContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD2-CD1 4.04Å; F363-Y365 AromaticContact CE1-CD1 3.74Å; F363-Y365 HydrophobicContact CE1-CD1 3.74Å; F363-Y365 AromaticContact CE1-CE1 3.31Å; F363-Y365 HydrophobicContact CE1-CE1 3.31Å; F363-Y365 AromaticContact CE2-CD1 3.5Å; F363-Y365 HydrophobicContact CE2-CD1 3.5Å; F363-Y365 AromaticContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CG 4.45Å; F363-Y365 HydrophobicContact CG-CD1 4.38Å; F363-Y365 AromaticContact CZ-CD1 3.33Å; F363-Y365 HydrophobicContact CZ-CD1 3.33Å; F363-Y365 AromaticContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CG 4.42Å; F363-M379 HydrophobicContact CE2-SD 4.41Å; F363-M379 HydrophobicContact CZ-CE 4.26Å; F363-M379 HydrophobicContact CZ-SD 4.13Å
364	D	92.6	Very high	77.4	Confident	17 Å²	17	59 Å²	59	9%	0.091	32%	0.323	C	S	.	.			trans	-83.1	119.6	172.9	-173.5	-3.7	0	0	0	109.5	H324 P328 N366 M367 Q368 R408	H324-D364 IonicContact CE1-OD1 2.7Å; H324-D364 PolarHBondContact CE1-OD1 3.21Å; H324-D364 VanDerWaalsContact CE1-OD1 3.23Å; H324-D364 IonicContact ND1-OD1 3.42Å; P328-D364 HydrophobicContact CG-CB 4.06Å; D364-N366 VanDerWaalsContact C-N 3.31Å; D364-N366 PolarHBondContact O-N 2.96Å; D364-N366 PolarHBondContact OD1-N 3.04Å; D364-M367 WeakPolarHBondContact O-CG 3.49Å; D364-M367 PolarHBondContact O-N 3.37Å; D364-M367 VanDerWaalsContact O-N 3.14Å; D364-Q368 PolarHBondContact OD2-N 2.71Å; D364-R408 IonicContact OD1-CZ 2.66Å; D364-R408 IonicContact OD1-NH1 3.57Å; D364-R408 IonicContact OD1-NH2 3.15Å; D364-R408 PolarHBondContact OD1-NH2 2.64Å; D364-R408 IonicContact OD2-CZ 3.2Å; D364-R408 IonicContact OD2-NH1 3.27Å; D364-R408 PolarHBondContact OD2-NH1 2.88Å; D364-R408 IonicContact OD2-NH2 3.38Å; D364-R408 PolarHBondContact OD2-NH2 3.29Å
365	Y	88.5	Confident	74.7	Confident	17 Å²	17	62.7 Å²	62.7	7%	0.067	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-33.6	179.3	-73.4	9.6	0	0	0	111.1	T296 V322 H324 F363 M367 M379 F412	T296-Y365 VanDerWaalsContact OG1-CE2 3.3Å; T296-Y365 WeakPolarHBondContact OG1-CE2 3.46Å; V322-Y365 PolarHBondContact O-OH 3.36Å; H324-Y365 HydrophobicContact CB-CD1 3.66Å; H324-Y365 HydrophobicContact CB-CD2 3.84Å; H324-Y365 HydrophobicContact CB-CE1 3.68Å; H324-Y365 HydrophobicContact CB-CE2 3.88Å; H324-Y365 HydrophobicContact CB-CG 3.75Å; H324-Y365 VanDerWaalsContact N-CE1 3.27Å; H324-Y365 PolarHBondContact N-OH 3.31Å; H324-Y365 PolarHBondContact ND1-N 2.88Å; H324-Y365 VanDerWaalsContact ND1-N 3.18Å; F363-Y365 HydrophobicContact CD1-CD1 4.23Å; F363-Y365 AromaticContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD2-CD1 4.04Å; F363-Y365 AromaticContact CE1-CD1 3.74Å; F363-Y365 HydrophobicContact CE1-CD1 3.74Å; F363-Y365 AromaticContact CE1-CE1 3.31Å; F363-Y365 HydrophobicContact CE1-CE1 3.31Å; F363-Y365 AromaticContact CE2-CD1 3.5Å; F363-Y365 HydrophobicContact CE2-CD1 3.5Å; F363-Y365 AromaticContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CG 4.45Å; F363-Y365 HydrophobicContact CG-CD1 4.38Å; F363-Y365 AromaticContact CZ-CD1 3.33Å; F363-Y365 HydrophobicContact CZ-CD1 3.33Å; F363-Y365 AromaticContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CG 4.42Å; Y365-M367 PolarHBondContact O-N 3.4Å; Y365-M379 HydrophobicContact CD1-SD 3.87Å; Y365-M379 HydrophobicContact CD2-SD 3.61Å; Y365-M379 HydrophobicContact CE1-SD 4.25Å; Y365-M379 HydrophobicContact CE2-SD 4.01Å; Y365-M379 HydrophobicContact CG-SD 3.52Å; Y365-M379 VanDerWaalsContact CG-SD 3.52Å; Y365-M379 WeakPolarHBondContact O-CB 3.5Å; Y365-M379 PolarHBondContact O-N 2.84Å; Y365-F412 HydrophobicContact CD2-CE1 4.34Å; Y365-F412 AromaticContact CD2-CZ 3.84Å; Y365-F412 HydrophobicContact CD2-CZ 3.84Å
366	N	77.3	Confident	72.1	Confident	11 Å²	11	63.5 Å²	63.5	6%	0.059	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-9	175.4	-76.8	-25.6	0	0	0	113	D364 Q368 L411 F412	D364-N366 VanDerWaalsContact C-N 3.31Å; D364-N366 PolarHBondContact O-N 2.96Å; D364-N366 PolarHBondContact OD1-N 3.04Å; N366-Q368 VanDerWaalsContact C-N 3.27Å; N366-Q368 HydrophobicContact CB-CG 4.38Å; N366-Q368 PolarHBondContact O-N 3.32Å; N366-L411 PolarHBondContact ND2-O 3.26Å; N366-F412 VanDerWaalsContact ND2-CA 3.34Å; N366-F412 WeakPolarHBondContact ND2-CA 3.35Å; N366-F412 PolarHBondContact ND2-OXT 3.17Å; N366-F412 WeakPolarHBondContact OD1-CD1 3.18Å
367	M	69.9	Low	69.9	Low	8 Å²	8	54.3 Å²	54.3	4%	0.039	31%	0.307	C	S	.	.			trans	42.8	54.1	-179.7	-60.7	-173.5	55.7	0	0	111.9	F299 V332 D364 Y365 V369 S376 T377 R378	F299-M367 HydrophobicContact CE2-SD 3.86Å; F299-M367 HydrophobicContact CZ-CE 4.3Å; F299-M367 HydrophobicContact CZ-SD 3.49Å; F299-M367 WeakPolarHBondContact CZ-SD 3.3Å; V332-M367 HydrophobicContact CB-CE 3.27Å; V332-M367 HydrophobicContact CB-SD 4.3Å; V332-M367 HydrophobicContact CG1-CE 3.87Å; V332-M367 HydrophobicContact CG2-CE 3.29Å; V332-M367 HydrophobicContact CG2-SD 3.74Å; D364-M367 WeakPolarHBondContact O-CG 3.49Å; D364-M367 PolarHBondContact O-N 3.37Å; D364-M367 VanDerWaalsContact O-N 3.14Å; Y365-M367 PolarHBondContact O-N 3.4Å; M367-V369 VanDerWaalsContact C-N 3.26Å; M367-V369 PolarHBondContact O-N 3.27Å; M367-S376 WeakPolarHBondContact CE-OG 3.44Å; M367-T377 WeakPolarHBondContact CB-O 3.42Å; M367-T377 WeakPolarHBondContact CE-O 3.47Å; M367-T377 WeakPolarHBondContact CE-OG1 3.43Å; M367-R378 HydrophobicContact CB-CG 4.41Å
368	Q	55	Low	67.8	Low	133 Å²	133	56.9 Å²	56.9	62%	0.621	30%	0.303	S	S	*	.			trans	-67.1	91.3	175.4	-70	-170.1	-3.8	0	0	108.8	D364 N366	D364-Q368 PolarHBondContact OD2-N 2.71Å; N366-Q368 VanDerWaalsContact C-N 3.27Å; N366-Q368 HydrophobicContact CB-CG 4.38Å; N366-Q368 PolarHBondContact O-N 3.32Å
369	V	49.8	Very low	66	Low	36 Å²	36	55 Å²	55	22%	0.218	28%	0.283	C	S	.	.			trans	-75.8	136	165.2	-172.5	0	0	0	0	107.1	M367 D373	M367-V369 VanDerWaalsContact C-N 3.26Å; M367-V369 PolarHBondContact O-N 3.27Å; V369-D373 HydrophobicContact CG1-CB 3.56Å; V369-D373 WeakPolarHBondContact CG1-O 3.35Å
370	D	43.8	Very low	63.7	Low	121 Å²	121	54.2 Å²	54.2	65%	0.647	28%	0.28	S	S	*	.			trans	-45.9	137.8	177	-112.6	-38.6	0	0	0	110.1	V372 D373	D370-V372 PolarHBondContact O-N 2.7Å; D370-D373 PolarHBondContact O-N 2.73Å
371	P	38.4	Very low	61.4	Low	115 Å²	115	54.6 Å²	54.6	75%	0.747	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-9.2	-173.6	-25.2	32.8	0	0	0	115.8
372	V	45.7	Very low	58.9	Low	127 Å²	127	58.1 Å²	58.1	77%	0.77	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.7	178.3	-166.8	0	0	0	0	112.1	D370	D370-V372 PolarHBondContact O-N 2.7Å
373	D	44.4	Very low	56.3	Low	43 Å²	43	59 Å²	59	23%	0.23	31%	0.309	C	S	.	.	S	Bend	trans	-123.4	38.2	-174.9	-71.9	-34.6	0	0	0	112	R214 V369 D370 E375	R214-D373 WeakPolarHBondContact CD-OD1 3.28Å; R214-D373 IonicContact CZ-OD1 3.73Å; R214-D373 IonicContact NE-OD1 2.89Å; R214-D373 PolarHBondContact NE-OD1 3.5Å; R214-D373 IonicContact NH1-OD1 3.49Å; R214-D373 PolarHBondContact NH1-OD1 3.33Å; V369-D373 HydrophobicContact CG1-CB 3.56Å; V369-D373 WeakPolarHBondContact CG1-O 3.35Å; D370-D373 PolarHBondContact O-N 2.73Å; D373-E375 PolarHBondContact O-N 2.65Å
374	M	36.4	Very low	53.5	Low	156 Å²	156	60.6 Å²	60.6	77%	0.768	33%	0.326	S	S	*	.			trans	-66.4	94.4	-175.5	-169.3	171.7	69.6	0	0	112.5
375	E	42.1	Very low	50.8	Low	140 Å²	140	65.3 Å²	65.3	65%	0.654	35%	0.35	S	S	*	.			trans	-179.9	99.7	153.8	-101	166.4	-150.5	0	0	107.6	G216 D373	G216-E375 WeakPolarHBondContact CA-O 3.41Å; D373-E375 PolarHBondContact O-N 2.65Å
376	S	43.9	Very low	48.3	Very low	17 Å²	17	67.2 Å²	67.2	12%	0.119	37%	0.37	C	S	.	.			trans	-160.1	131	-175.7	166	0	0	0	0	112.2	M367	M367-S376 WeakPolarHBondContact CE-OG 3.44Å
377	T	51.9	Low	46.1	Very low	2 Å²	2	70.4 Å²	70.4	1%	0.012	41%	0.405	C	S	.	.			trans	-23.3	132.3	153	39.2	0	0	0	0	112.5	F299 D302 N334 I347 M367	F299-T377 HydrophobicContact CE1-CG2 3.96Å; D302-T377 WeakPolarHBondContact OD1-CA 3.5Å; D302-T377 PolarHBondContact OD1-N 2.78Å; D302-T377 VanDerWaalsContact OD1-N 3.13Å; N334-T377 WeakPolarHBondContact OD1-CG2 3.5Å; I347-T377 HydrophobicContact CD1-CG2 3.96Å; M367-T377 WeakPolarHBondContact CB-O 3.42Å; M367-T377 WeakPolarHBondContact CE-O 3.47Å; M367-T377 WeakPolarHBondContact CE-OG1 3.43Å
378	R	55.7	Low	44.5	Very low	119 Å²	119	77.1 Å²	77.1	45%	0.449	44%	0.441	S	S	.	.			trans	-127.4	150.3	169.9	-61	-169.7	179.9	124.2	4	109.6	D300 M367	D300-R378 PolarHBondContact N-O 3.18Å; M367-R378 HydrophobicContact CB-CG 4.41Å
379	M	59.5	Low	43.4	Very low	4 Å²	4	77 Å²	77	2%	0.02	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-66.9	138.6	159.7	-149.9	169.8	-150.2	0	0	106.8	Y273 T296 L298 F363 Y365 S381	Y273-M379 HydrophobicContact CE2-CE 4.5Å; T296-M379 WeakPolarHBondContact O-CE 3.27Å; L298-M379 WeakPolarHBondContact O-CG 3.34Å; F363-M379 HydrophobicContact CE2-SD 4.41Å; F363-M379 HydrophobicContact CZ-CE 4.26Å; F363-M379 HydrophobicContact CZ-SD 4.13Å; Y365-M379 HydrophobicContact CD1-SD 3.87Å; Y365-M379 HydrophobicContact CD2-SD 3.61Å; Y365-M379 HydrophobicContact CE1-SD 4.25Å; Y365-M379 HydrophobicContact CE2-SD 4.01Å; Y365-M379 HydrophobicContact CG-SD 3.52Å; Y365-M379 VanDerWaalsContact CG-SD 3.52Å; Y365-M379 WeakPolarHBondContact O-CB 3.5Å; Y365-M379 PolarHBondContact O-N 2.84Å; M379-S381 PolarHBondContact O-N 3.25Å
380	D	51.7	Low	43	Very low	23 Å²	23	79.1 Å²	79.1	12%	0.123	48%	0.48	C	S	.	.			trans	-49.6	105	-171.7	-174.9	2.4	0	0	0	111.1	L298 D300 N382 F383	L298-D380 HydrophobicContact CB-CB 4.39Å; D300-D380 WeakPolarHBondContact OD2-CA 3.44Å; D300-D380 WeakPolarHBondContact OD2-CB 3.4Å; D380-N382 PolarHBondContact O-N 2.95Å; D380-N382 WeakPolarHBondContact OD1-CA 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.38Å; D380-N382 PolarHBondContact OD1-N 3.01Å; D380-F383 WeakPolarHBondContact O-CB 2.94Å; D380-F383 PolarHBondContact O-N 3.13Å
381	S	50.7	Low	42.7	Very low	45 Å²	45	77.4 Å²	77.4	32%	0.315	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.1	179.7	65.7	0	0	0	0	111.8	M379 F383	M379-S381 PolarHBondContact O-N 3.25Å; S381-F383 CarbonylContact O-C 3.58Å; S381-F383 PolarHBondContact O-N 2.8Å
382	N	46.4	Very low	42.4	Very low	74 Å²	74	77.5 Å²	77.5	40%	0.396	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-2.7	165.6	-63.2	-32.6	0	0	0	112.7	D380 G384 L385	D380-N382 PolarHBondContact O-N 2.95Å; D380-N382 WeakPolarHBondContact OD1-CA 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.38Å; D380-N382 PolarHBondContact OD1-N 3.01Å; N382-G384 PolarHBondContact O-N 3.4Å; N382-L385 PolarHBondContact O-N 3.28Å; N382-L385 VanDerWaalsContact O-N 3.16Å; N382-L385 WeakPolarHBondContact OD1-CB 3.32Å
383	F	42.8	Very low	42.2	Very low	29 Å²	29	81.2 Å²	81.2	13%	0.127	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	64.9	150.9	-150.7	-82.3	0	0	0	110.7	D291 A295 T296 D380 S381 I398 F412	D291-F383 HydrophobicContact CB-CE2 4.48Å; D291-F383 WeakPolarHBondContact OD1-CD2 3.2Å; D291-F383 WeakPolarHBondContact OD1-CE2 3.17Å; A295-F383 WeakPolarHBondContact O-CE2 3.42Å; T296-F383 HydrophobicContact CG2-CD1 4.39Å; T296-F383 HydrophobicContact CG2-CD2 4Å; T296-F383 HydrophobicContact CG2-CE1 4.23Å; T296-F383 HydrophobicContact CG2-CE2 3.8Å; T296-F383 HydrophobicContact CG2-CG 4.28Å; T296-F383 HydrophobicContact CG2-CZ 3.92Å; D380-F383 WeakPolarHBondContact O-CB 2.94Å; D380-F383 PolarHBondContact O-N 3.13Å; S381-F383 CarbonylContact O-C 3.58Å; S381-F383 PolarHBondContact O-N 2.8Å; F383-I398 HydrophobicContact CE1-CD1 3.37Å; F383-I398 HydrophobicContact CE1-CG1 3.97Å; F383-I398 HydrophobicContact CZ-CD1 3.63Å; F383-F412 HydrophobicContact CB-CD1 4.18Å; F383-F412 HydrophobicContact CB-CD2 3.92Å; F383-F412 HydrophobicContact CB-CE1 4.22Å; F383-F412 HydrophobicContact CB-CE2 3.97Å; F383-F412 HydrophobicContact CB-CG 4.02Å; F383-F412 HydrophobicContact CB-CZ 4.12Å; F383-F412 AromaticContact CD1-CD2 3.29Å; F383-F412 HydrophobicContact CD1-CD2 3.29Å; F383-F412 AromaticContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CG 4.17Å; F383-F412 HydrophobicContact CD1-CZ 4.26Å; F383-F412 HydrophobicContact CE1-CD2 4.12Å; F383-F412 AromaticContact CE1-CE2 3.97Å; F383-F412 HydrophobicContact CE1-CE2 3.97Å; F383-F412 AromaticContact CG-CD2 3.86Å; F383-F412 HydrophobicContact CG-CD2 3.86Å; F383-F412 AromaticContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CG 4.46Å; F383-F412 HydrophobicContact CG-CZ 4.14Å; F383-F412 WeakPolarHBondContact O-CB 3.4Å
384	G	37.2	Very low	42.3	Very low	36 Å²	36	89.1 Å²	89.1	37%	0.371	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	138.4	-3.6	-170.4	0	0	0	0	0	117.6	N382 R395	N382-G384 PolarHBondContact O-N 3.4Å; G384-R395 WeakPolarHBondContact O-CD 3.49Å; G384-R395 PolarHBondContact O-NE 3.19Å; G384-R395 PolarHBondContact O-NH1 3.16Å
385	L	35.7	Very low	43.1	Very low	115 Å²	115	88.6 Å²	88.6	60%	0.602	51%	0.506	S	S	*	.			trans	-122.8	87.6	-176.6	-102.5	110.3	0	0	0	114.1	N382	N382-L385 PolarHBondContact O-N 3.28Å; N382-L385 VanDerWaalsContact O-N 3.16Å; N382-L385 WeakPolarHBondContact OD1-CB 3.32Å
386	A	36.3	Very low	44.1	Very low	58 Å²	58	88 Å²	88	48%	0.479	51%	0.511	S	S	.	.			trans	-107.3	95.5	165.5	0	0	0	0	0	111.4	R395	A386-R395 VanDerWaalsContact N-NH2 3.13Å; A386-R395 PolarHBondContact O-NH2 3.14Å
387	G	30.3	Very low	45.6	Very low	78 Å²	78	95.6 Å²	95.6	80%	0.804	54%	0.538	S	S	*	.			trans	-104.8	28.7	-177.4	0	0	0	0	0	115.5
388	L	37.7	Very low	47	Very low	149 Å²	149	97.7 Å²	97.7	78%	0.78	55%	0.548	S	S	*	.	S	Bend	trans	-103	139.3	175.2	-76.4	164.5	0	0	0	111.4	G390	L388-G390 PolarHBondContact O-N 2.8Å
389	P	31.5	Very low	48.7	Very low	131 Å²	131	98.2 Å²	98.2	85%	0.851	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	113.4	-178.3	20.6	-14.8	0	0	0	110.6
390	G	41.2	Very low	50.2	Low	79 Å²	79	98.4 Å²	98.4	81%	0.814	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	141.4	-1.8	168.3	0	0	0	0	0	118.3	L388	L388-G390 PolarHBondContact O-N 2.8Å
391	S	36.4	Very low	52.2	Low	85 Å²	85	101.9 Å²	101.9	59%	0.594	57%	0.571	S	S	*	*			trans	-96.1	120.9	-176.3	49.6	0	0	0	0	113.5	K393	S391-K393 PolarHBondContact O-N 3.24Å
392	P	32.7	Very low	54.3	Low	117 Å²	117	100.7 Å²	100.7	76%	0.76	56%	0.563	S	S	*	*			trans	-90.2	102.4	175.3	32.2	-26.7	0	0	0	110.3
393	K	42.2	Very low	56.6	Low	205 Å²	205	100.8 Å²	100.8	89%	0.891	58%	0.582	S	S	*	*			trans	179.2	127.5	150	-97.4	156.1	-165.3	-172.4	0	111.2	S391 R395	S391-K393 PolarHBondContact O-N 3.24Å; K393-R395 PolarHBondContact O-N 2.66Å
394	K	46.1	Very low	59	Low	210 Å²	210	101 Å²	101	91%	0.913	59%	0.585	S	S	*	*			trans	-59	125.6	173	-79.8	177	172.8	178	0	109.9
395	R	54	Low	61.7	Low	144 Å²	144	109.2 Å²	109.2	54%	0.543	61%	0.614	S	S	.	*			trans	-58	138.3	179.1	-57.7	-179.3	-171	160	4.8	111.4	G384 A386 K393	G384-R395 WeakPolarHBondContact O-CD 3.49Å; G384-R395 PolarHBondContact O-NE 3.19Å; G384-R395 PolarHBondContact O-NH1 3.16Å; A386-R395 VanDerWaalsContact N-NH2 3.13Å; A386-R395 PolarHBondContact O-NH2 3.14Å; K393-R395 PolarHBondContact O-N 2.66Å
396	V	62.5	Low	64.4	Low	128 Å²	128	107.5 Å²	107.5	78%	0.776	61%	0.611	S	S	*	*			trans	-92	104.8	175.5	-178.2	0	0	0	0	108.3	I398	V396-I398 PolarHBondContact O-N 2.99Å
397	R	74.9	Confident	67.1	Low	177 Å²	177	105.7 Å²	105.7	67%	0.668	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-74.6	123.7	170.3	-66.7	-174.7	173.6	177	-3.7	109.1	Y410	R397-Y410 HydrophobicContact CB-CD1 3.44Å; R397-Y410 VanDerWaalsContact CB-CD1 3.44Å; R397-Y410 HydrophobicContact CB-CE1 3.58Å; R397-Y410 HydrophobicContact CB-CG 4.19Å; R397-Y410 HydrophobicContact CG-CD1 4.33Å; R397-Y410 HydrophobicContact CG-CE1 4.42Å
398	I	82.2	Confident	70.1	Confident	46 Å²	46	105.3 Å²	105.3	24%	0.236	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-81.4	123.5	176.2	-56.6	-177.2	0	0	0	109	F383 V396 Y410 L411	F383-I398 HydrophobicContact CE1-CD1 3.37Å; F383-I398 HydrophobicContact CE1-CG1 3.97Å; F383-I398 HydrophobicContact CZ-CD1 3.63Å; V396-I398 PolarHBondContact O-N 2.99Å; I398-Y410 WeakPolarHBondContact O-CA 3.34Å; I398-L411 HydrophobicContact CB-CD1 3.91Å; I398-L411 HydrophobicContact CB-CG 4.22Å; I398-L411 HydrophobicContact CG2-CD1 3.47Å; I398-L411 VanDerWaalsContact CG2-CD1 3.47Å; I398-L411 HydrophobicContact CG2-CG 3.98Å; I398-L411 PolarHBondContact O-N 2.66Å; I398-L411 VanDerWaalsContact O-N 3.07Å
399	E	89.8	Confident	72.6	Confident	129 Å²	129	105 Å²	105	60%	0.603	56%	0.562	S	S	*	*	B	Isolated β-bridge	trans	-65.1	130.1	178.1	-176	-179.4	-154.5	0	0	111	K409	E399-K409 WeakPolarHBondContact CA-O 3.48Å
400	C	92.9	Very high	75.2	Confident	9 Å²	9	103.2 Å²	103.2	6%	0.061	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-80.3	124.5	173.8	179.1	0	0	0	0	110.6	H324 C402 C407 K409 L411	H324-C400 PolarHBondContact CD2-SG 2.66Å; C400-C402 PolarHBondContact SG-SG 2.89Å; C400-C407 VanDerWaalsContact SG-SG 3.63Å; C400-K409 PolarHBondContact N-O 3.37Å; C400-L411 HydrophobicContact CB-CD2 3.98Å
401	K	93.9	Very high	77.2	Confident	95 Å²	95	100.7 Å²	100.7	41%	0.413	51%	0.506	S	S	.	.			trans	-113.8	30.2	179.2	-59.9	-173.2	178.7	-178.5	0	113.2	D252 R254 G403	D252-K401 VanDerWaalsContact O-CD 3.3Å; D252-K401 WeakPolarHBondContact O-CD 3.28Å; D252-K401 PolarHBondContact O-NZ 3.5Å; R254-K401 HydrophobicContact CG-CB 3.93Å; R254-K401 PolarHBondContact NE-O 3.23Å; K401-G403 PolarHBondContact O-N 3.33Å
402	C	94.4	Very high	79.1	Confident	20 Å²	20	100.1 Å²	100.1	14%	0.135	49%	0.494	C	S	.	.			trans	-67.7	-15.7	-177.8	68.2	0	0	0	0	114.3	C400 T404	C400-C402 PolarHBondContact SG-SG 2.89Å; C402-T404 VanDerWaalsContact C-N 3.25Å; C402-T404 HydrophobicContact CB-CG2 4.4Å; C402-T404 PolarHBondContact O-N 3.32Å; C402-T404 PolarHBondContact SG-OG1 3.04Å; C402-T404 VanDerWaalsContact SG-OG1 3.35Å
403	G	93.5	Very high	81.4	Confident	77 Å²	77	99.3 Å²	99.3	79%	0.794	48%	0.48	S	S	*	.			trans	75.8	3.7	176.1	0	0	0	0	0	115.4	K401	K401-G403 PolarHBondContact O-N 3.33Å
404	T	93.8	Very high	83.5	Confident	32 Å²	32	93.7 Å²	93.7	20%	0.196	46%	0.459	C	S	.	.			trans	-77.6	148.2	178.8	72.2	0	0	0	0	111.4	D327 C402 S406 C407	D327-T404 HydrophobicContact CB-CG2 3.8Å; C402-T404 VanDerWaalsContact C-N 3.25Å; C402-T404 HydrophobicContact CB-CG2 4.4Å; C402-T404 PolarHBondContact O-N 3.32Å; C402-T404 PolarHBondContact SG-OG1 3.04Å; C402-T404 VanDerWaalsContact SG-OG1 3.35Å; T404-S406 PolarHBondContact O-N 2.94Å; T404-C407 WeakPolarHBondContact O-CB 3.41Å; T404-C407 PolarHBondContact O-N 2.98Å; T404-C407 VanDerWaalsContact O-N 3.16Å; T404-C407 PolarHBondContact OG1-N 3.42Å
405	E	93.6	Very high	85.6	Confident	210 Å²	210	87.3 Å²	87.3	98%	0.981	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.6	177.5	-64.9	-176.8	175	0	0	112.1	C407	E405-C407 VanDerWaalsContact C-N 3.28Å; E405-C407 PolarHBondContact O-N 3.49Å
406	S	92.1	Very high	87.5	Confident	78 Å²	78	83.9 Å²	83.9	55%	0.545	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	14.9	176.8	55.3	0	0	0	0	114	T404 R408	T404-S406 PolarHBondContact O-N 2.94Å; S406-R408 PolarHBondContact O-N 3.11Å
407	C	93.7	Very high	89	Confident	21 Å²	21	81.2 Å²	81.2	14%	0.142	41%	0.405	C	S	.	.			trans	-58.2	128	-176.1	174.2	0	0	0	0	112.9	C400 T404 E405 K409	C400-C407 VanDerWaalsContact SG-SG 3.63Å; T404-C407 WeakPolarHBondContact O-CB 3.41Å; T404-C407 PolarHBondContact O-N 2.98Å; T404-C407 VanDerWaalsContact O-N 3.16Å; T404-C407 PolarHBondContact OG1-N 3.42Å; E405-C407 VanDerWaalsContact C-N 3.28Å; E405-C407 PolarHBondContact O-N 3.49Å; C407-K409 PolarHBondContact O-N 3.27Å; C407-K409 VanDerWaalsContact O-N 3.13Å; C407-K409 PolarHBondContact SG-N 3.37Å
408	R	92.6	Very high	90	Very high	70 Å²	70	74.8 Å²	74.8	26%	0.264	39%	0.388	S	S	.	.			trans	-74	5.5	179.1	-59.2	-172.9	-59	-109.7	1.1	114.6	H324 C326 D364 S406 Y410	H324-R408 PolarHBondContact CE1-NH2 2.96Å; H324-R408 VanDerWaalsContact CE1-NH2 3.25Å; C326-R408 HydrophobicContact CB-CG 4.46Å; C326-R408 PolarHBondContact SG-N 2.77Å; D364-R408 IonicContact OD1-CZ 2.66Å; D364-R408 IonicContact OD1-NH1 3.57Å; D364-R408 IonicContact OD1-NH2 3.15Å; D364-R408 PolarHBondContact OD1-NH2 2.64Å; D364-R408 IonicContact OD2-CZ 3.2Å; D364-R408 IonicContact OD2-NH1 3.27Å; D364-R408 PolarHBondContact OD2-NH1 2.88Å; D364-R408 IonicContact OD2-NH2 3.38Å; D364-R408 PolarHBondContact OD2-NH2 3.29Å; S406-R408 PolarHBondContact O-N 3.11Å; R408-Y410 PolarHBondContact O-N 3.48Å
409	K	90.1	Very high	90.5	Very high	141 Å²	141	76.9 Å²	76.9	61%	0.613	40%	0.398	S	S	*	.	S	Bend	trans	68.1	-25.6	-179.9	-51.3	-60.3	-179.8	-175.2	0	116.5	E399 C400 C407	E399-K409 WeakPolarHBondContact CA-O 3.48Å; C400-K409 PolarHBondContact N-O 3.37Å; C407-K409 PolarHBondContact O-N 3.27Å; C407-K409 VanDerWaalsContact O-N 3.13Å; C407-K409 PolarHBondContact SG-N 3.37Å
410	Y	87.7	Confident	90.6	Very high	94 Å²	94	72.8 Å²	72.8	37%	0.369	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-127.9	151.4	178.4	-58.5	-72.9	0	0	0	110.9	R397 I398 R408	R397-Y410 HydrophobicContact CB-CD1 3.44Å; R397-Y410 VanDerWaalsContact CB-CD1 3.44Å; R397-Y410 HydrophobicContact CB-CE1 3.58Å; R397-Y410 HydrophobicContact CB-CG 4.19Å; R397-Y410 HydrophobicContact CG-CD1 4.33Å; R397-Y410 HydrophobicContact CG-CE1 4.42Å; I398-Y410 WeakPolarHBondContact O-CA 3.34Å; R408-Y410 PolarHBondContact O-N 3.48Å
411	L	83.3	Confident	90.4	Very high	26 Å²	26	78.2 Å²	78.2	14%	0.136	41%	0.409	C	S	.	.			trans	-64.8	-43.8	177.9	-63.3	-175.4	0	0	0	111.3	H324 N366 I398 C400	H324-L411 HydrophobicContact CB-CD2 3.91Å; H324-L411 VanDerWaalsContact CD2-CD2 3.48Å; H324-L411 WeakPolarHBondContact CD2-CD2 3.46Å; N366-L411 PolarHBondContact ND2-O 3.26Å; I398-L411 HydrophobicContact CB-CD1 3.91Å; I398-L411 HydrophobicContact CB-CG 4.22Å; I398-L411 HydrophobicContact CG2-CD1 3.47Å; I398-L411 VanDerWaalsContact CG2-CD1 3.47Å; I398-L411 HydrophobicContact CG2-CG 3.98Å; I398-L411 PolarHBondContact O-N 2.66Å; I398-L411 VanDerWaalsContact O-N 3.07Å; C400-L411 HydrophobicContact CB-CD2 3.98Å
412	F	75.8	Confident	90.1	Very high	74 Å²	74	76.6 Å²	76.6	33%	0.325	41%	0.409	S	S	.	.			trans	-113	0	-179.1	-55.9	-81.5	0	0	0	111.6	T296 Y365 N366 F383	T296-F412 HydrophobicContact CG2-CE2 3.42Å; T296-F412 VanDerWaalsContact CG2-CE2 3.42Å; T296-F412 HydrophobicContact CG2-CZ 3.43Å; T296-F412 VanDerWaalsContact CG2-CZ 3.43Å; Y365-F412 HydrophobicContact CD2-CE1 4.34Å; Y365-F412 AromaticContact CD2-CZ 3.84Å; Y365-F412 HydrophobicContact CD2-CZ 3.84Å; N366-F412 VanDerWaalsContact ND2-CA 3.34Å; N366-F412 WeakPolarHBondContact ND2-CA 3.35Å; N366-F412 PolarHBondContact ND2-OXT 3.17Å; N366-F412 WeakPolarHBondContact OD1-CD1 3.18Å; F383-F412 HydrophobicContact CB-CD1 4.18Å; F383-F412 HydrophobicContact CB-CD2 3.92Å; F383-F412 HydrophobicContact CB-CE1 4.22Å; F383-F412 HydrophobicContact CB-CE2 3.97Å; F383-F412 HydrophobicContact CB-CG 4.02Å; F383-F412 HydrophobicContact CB-CZ 4.12Å; F383-F412 AromaticContact CD1-CD2 3.29Å; F383-F412 HydrophobicContact CD1-CD2 3.29Å; F383-F412 AromaticContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CG 4.17Å; F383-F412 HydrophobicContact CD1-CZ 4.26Å; F383-F412 HydrophobicContact CE1-CD2 4.12Å; F383-F412 AromaticContact CE1-CE2 3.97Å; F383-F412 HydrophobicContact CE1-CE2 3.97Å; F383-F412 AromaticContact CG-CD2 3.86Å; F383-F412 HydrophobicContact CG-CD2 3.86Å; F383-F412 AromaticContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CG 4.46Å; F383-F412 HydrophobicContact CG-CZ 4.14Å; F383-F412 WeakPolarHBondContact O-CB 3.4Å

Retrieved 412 of 412 residues in 78.5 ms (Link to these results)

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