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Glucose 1,6-bisphosphate synthase

Glucose 1,6-bisphosphate synthase using 1,3-bisphosphoglycerate as a phosphate donor and a series of 1-phosphate sugars, including glucose 1-phosphate, mannose 1-phosphate, ribose 1-phosphate and deoxyribose 1-phosphate, as acceptors. In vitro, also exhibits very low phosphopentomutase and phosphoglucomutase activity which are most probably not physiologically relevant.

AlphaFold DB (A0A2K6AKP4), UniProt , Accession A0A096MUB3, Species PAPAN (Papio anubis, Olive baboon), Gene PGM2L1, Length 622 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	33.4	Very low	251 Å²	251	142.4 Å²	142.4	100%	1.236	81%	0.807	S	S	*	*				0	108.6	0	-70.7	-163.7	-89.4	0	0	106.6
2	A	33.9	Very low	33.3	Very low	95 Å²	95	143.9 Å²	143.9	79%	0.785	81%	0.812	S	S	*	*			cis	-154.6	122.1	0.9	0	0	0	0	0	104.3
3	E	31.5	Very low	33.9	Very low	178 Å²	178	143.9 Å²	143.9	83%	0.832	81%	0.807	S	S	*	*				54.6	113	93.9	-91.3	-173.2	178.8	0	0	117.4
4	N	32.8	Very low	34.3	Very low	140 Å²	140	144.9 Å²	144.9	75%	0.749	81%	0.808	S	S	*	*			trans	54.6	137.2	138.2	-64.5	-16.1	0	0	0	119.5
5	T	31.3	Very low	34.8	Very low	133 Å²	133	148 Å²	148	82%	0.816	81%	0.814	S	S	*	*				-158	130.2	52.6	32.8	0	0	0	0	112.6
6	E	34.3	Very low	35.8	Very low	194 Å²	194	141.1 Å²	141.1	91%	0.907	78%	0.783	S	S	*	*			trans	-69.7	134	155.2	-76.6	179.2	148.2	0	0	109	D8	E6-D8 PolarHBondContact O-N 2.71Å
7	G	30.4	Very low	37.5	Very low	72 Å²	72	138.8 Å²	138.8	74%	0.742	78%	0.775	S	S	*	*			trans	-67.9	115.1	178.9	0	0	0	0	0	111.4	L9	G7-L9 PolarHBondContact O-N 3.34Å
8	D	33.5	Very low	39.3	Very low	115 Å²	115	134.4 Å²	134.4	62%	0.615	75%	0.745	S	S	*	*			trans	-72.9	101.8	176.7	-163.7	1.2	0	0	0	110.7	E6 N10 S11	E6-D8 PolarHBondContact O-N 2.71Å; D8-N10 PolarHBondContact O-N 3.18Å; D8-N10 PolarHBondContact OD1-N 3.29Å; D8-S11 PolarHBondContact O-OG 3.43Å
9	L	34.3	Very low	41.4	Very low	173 Å²	173	136.9 Å²	136.9	91%	0.906	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	5.8	175.1	-92.4	156.4	0	0	0	113.7	G7	G7-L9 PolarHBondContact O-N 3.34Å
10	N	37.8	Very low	43.6	Very low	128 Å²	128	131 Å²	131	68%	0.684	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	8.1	177.5	-80.8	-32.6	0	0	0	115.4	D8	D8-N10 PolarHBondContact O-N 3.18Å; D8-N10 PolarHBondContact OD1-N 3.29Å
11	S	33.1	Very low	45.7	Very low	87 Å²	87	128.4 Å²	128.4	61%	0.608	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-2.6	-173.9	54.5	0	0	0	0	116.3	D8 L13	D8-S11 PolarHBondContact O-OG 3.43Å; S11-L13 PolarHBondContact O-N 2.93Å
12	N	32.6	Very low	48.4	Very low	161 Å²	161	118.1 Å²	118.1	86%	0.861	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	19	-176	-83.7	-17.8	0	0	0	115.9
13	L	40.3	Very low	51.1	Low	144 Å²	144	118.3 Å²	118.3	75%	0.754	67%	0.666	S	S	*	*	S	Bend	trans	-107	11.2	-173.7	-92.5	161.3	0	0	0	116.3	S11	S11-L13 PolarHBondContact O-N 2.93Å
14	L	39.4	Very low	54.1	Low	157 Å²	157	115 Å²	115	82%	0.822	65%	0.65	S	S	*	*			trans	-124.5	14.9	-167.8	-85.1	163.2	0	0	0	117.9
15	H	42.8	Very low	57.1	Low	192 Å²	192	108.3 Å²	108.3	89%	0.889	61%	0.614	S	S	*	*			trans	-106.9	93.8	166.5	-76	-59	0	0	0	110.4
16	A	50.7	Low	60.2	Low	38 Å²	38	102.8 Å²	102.8	31%	0.314	58%	0.58	S	S	.	*			trans	-61.9	136.2	169.2	0	0	0	0	0	109.6	Y18 D26	A16-Y18 PolarHBondContact O-N 3.3Å; A16-D26 HydrophobicContact CB-CB 4.13Å
17	P	65.3	Low	63.1	Low	102 Å²	102	97.1 Å²	97.1	66%	0.662	56%	0.559	S	S	*	*	S	Bend	trans	-74.6	12.8	175.6	31.3	-34.3	0	0	0	113.1
18	Y	69.8	Low	66.2	Low	60 Å²	60	94.1 Å²	94.1	24%	0.235	53%	0.527	C	S	.	.			trans	-116.6	128.2	-176.2	-48.8	-61.3	0	0	0	107.3	A16 D26 I29 L33 L49	A16-Y18 PolarHBondContact O-N 3.3Å; Y18-D26 VanDerWaalsContact C-OD1 3.24Å; Y18-I29 HydrophobicContact CD1-CG2 4.32Å; Y18-I29 HydrophobicContact CD2-CB 4.32Å; Y18-I29 HydrophobicContact CD2-CG2 3.67Å; Y18-I29 HydrophobicContact CE1-CG2 4.49Å; Y18-I29 HydrophobicContact CE2-CG2 3.9Å; Y18-I29 HydrophobicContact CG-CG2 3.9Å; Y18-L33 HydrophobicContact CE1-CD1 4.09Å; Y18-L33 HydrophobicContact CE2-CD1 4.13Å; Y18-L33 VanDerWaalsContact OH-CD1 3.27Å; Y18-L33 WeakPolarHBondContact OH-CD1 3.43Å; Y18-L49 HydrophobicContact CD1-CD2 3.45Å; Y18-L49 VanDerWaalsContact CD1-CD2 3.45Å; Y18-L49 HydrophobicContact CE1-CD2 3.68Å; Y18-L49 HydrophobicContact CG-CD2 4.34Å
19	H	77.6	Confident	69.2	Low	181 Å²	181	88.7 Å²	88.7	84%	0.838	50%	0.498	S	S	*	.			trans	-117.7	69.1	-177.3	-70.3	-62.5	0	0	0	109.3
20	T	86.4	Confident	72.1	Confident	18 Å²	18	81.7 Å²	81.7	11%	0.11	47%	0.468	C	S	.	.			trans	-79.8	-8.9	174.2	66.8	0	0	0	0	112.8	D22 L25 D26 I29 L49 N54	T20-D22 VanDerWaalsContact C-N 3.32Å; T20-L25 HydrophobicContact CG2-CD2 4.12Å; T20-L25 HydrophobicContact CG2-CG 4.4Å; T20-D26 WeakPolarHBondContact CB-OD1 3.25Å; T20-D26 WeakPolarHBondContact CG2-OD1 3.45Å; T20-D26 PolarHBondContact N-OD1 2.78Å; T20-D26 PolarHBondContact OG1-OD1 3.21Å; T20-I29 HydrophobicContact CG2-CD1 3.74Å; T20-L49 HydrophobicContact CG2-CD1 4.18Å; T20-N54 PolarHBondContact O-ND2 3.46Å; T20-N54 VanDerWaalsContact O-ND2 3.15Å
21	G	86.8	Confident	74.9	Confident	78 Å²	78	79.2 Å²	79.2	80%	0.804	45%	0.452	S	S	*	.	S	Bend	trans	79.1	16.9	-174.1	0	0	0	0	0	113.1
22	D	91.3	Very high	78	Confident	34 Å²	34	75 Å²	75	18%	0.182	42%	0.423	C	S	.	.			trans	-145.1	96.9	-170.3	179.5	-11.9	0	0	0	109.2	T20 Q24 L25 D26 R58	T20-D22 VanDerWaalsContact C-N 3.32Å; D22-Q24 PolarHBondContact O-N 2.93Å; D22-Q24 VanDerWaalsContact O-N 3.14Å; D22-Q24 PolarHBondContact OD1-N 3.12Å; D22-L25 HydrophobicContact CB-CB 3.87Å; D22-L25 WeakPolarHBondContact O-CB 3.44Å; D22-L25 PolarHBondContact O-N 3.27Å; D22-L25 PolarHBondContact OD1-N 2.94Å; D22-D26 PolarHBondContact O-N 3.41Å; D22-R58 IonicContact OD1-CZ 2.85Å; D22-R58 IonicContact OD1-NH2 2.6Å; D22-R58 PolarHBondContact OD1-NH2 3.13Å; D22-R58 IonicContact OD2-CZ 3.03Å; D22-R58 IonicContact OD2-NE 2.81Å; D22-R58 PolarHBondContact OD2-NE 3.44Å; D22-R58 IonicContact OD2-NH2 2.69Å; D22-R58 PolarHBondContact OD2-NH2 3.36Å
23	P	92.4	Very high	81	Confident	100 Å²	100	68 Å²	68	65%	0.649	39%	0.385	S	S	*	.	H	α-helix	trans	-59.4	-31.1	-170.8	-26.8	34.5	0	0	0	114.4	T27	P23-T27 WeakPolarHBondContact O-CB 3.45Å; P23-T27 PolarHBondContact O-N 3.35Å; P23-T27 VanDerWaalsContact O-N 3.15Å; P23-T27 PolarHBondContact O-OG1 2.94Å
24	Q	94.4	Very high	83.7	Confident	108 Å²	108	69.1 Å²	69.1	51%	0.505	38%	0.379	S	S	.	.	H	α-helix	trans	-67	-45	176.6	-175	-173.5	20.5	0	0	110.2	D22 A28	D22-Q24 PolarHBondContact O-N 2.93Å; D22-Q24 VanDerWaalsContact O-N 3.14Å; D22-Q24 PolarHBondContact OD1-N 3.12Å; Q24-A28 PolarHBondContact O-N 3.13Å; Q24-A28 VanDerWaalsContact O-N 3.09Å
25	L	95.8	Very high	86.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.6	-45	179.3	-176.8	56.5	0	0	0	111.7	T20 D22 T27 A28 I29 N54 L57 R58 L61	T20-L25 HydrophobicContact CG2-CD2 4.12Å; T20-L25 HydrophobicContact CG2-CG 4.4Å; D22-L25 HydrophobicContact CB-CB 3.87Å; D22-L25 WeakPolarHBondContact O-CB 3.44Å; D22-L25 PolarHBondContact O-N 3.27Å; D22-L25 PolarHBondContact OD1-N 2.94Å; L25-T27 VanDerWaalsContact C-N 3.26Å; L25-T27 PolarHBondContact O-N 2.64Å; L25-A28 PolarHBondContact O-N 3.11Å; L25-A28 VanDerWaalsContact O-N 3.1Å; L25-I29 HydrophobicContact CD1-CD1 4.21Å; L25-I29 HydrophobicContact CD1-CG1 4.29Å; L25-I29 HydrophobicContact CG-CD1 3.87Å; L25-I29 HydrophobicContact CG-CG1 4.43Å; L25-I29 VanDerWaalsContact O-CG1 3.3Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 3.08Å; L25-N54 HydrophobicContact CD2-CB 4.23Å; L25-L57 HydrophobicContact CD1-CB 3.93Å; L25-L57 HydrophobicContact CD2-CB 4.18Å; L25-R58 HydrophobicContact CD1-CB 4.26Å; L25-R58 HydrophobicContact CD2-CB 4.34Å; L25-L61 HydrophobicContact CD1-CB 4.46Å; L25-L61 HydrophobicContact CD1-CD1 4.41Å
26	D	94.9	Very high	89.1	Confident	17 Å²	17	53.8 Å²	53.8	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-40.2	178.2	-70.1	-42.1	0	0	0	111.4	A16 Y18 T20 D22 G30	A16-D26 HydrophobicContact CB-CB 4.13Å; Y18-D26 VanDerWaalsContact C-OD1 3.24Å; T20-D26 WeakPolarHBondContact CB-OD1 3.25Å; T20-D26 WeakPolarHBondContact CG2-OD1 3.45Å; T20-D26 PolarHBondContact N-OD1 2.78Å; T20-D26 PolarHBondContact OG1-OD1 3.21Å; D22-D26 PolarHBondContact O-N 3.41Å; D26-G30 PolarHBondContact O-N 3.28Å; D26-G30 VanDerWaalsContact O-N 3.1Å
27	T	94.8	Very high	91.2	Very high	75 Å²	75	58.7 Å²	58.7	46%	0.46	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-47.5	173.9	-59	0	0	0	0	111.7	P23 L25 I29 G30 Q31	P23-T27 WeakPolarHBondContact O-CB 3.45Å; P23-T27 PolarHBondContact O-N 3.35Å; P23-T27 VanDerWaalsContact O-N 3.15Å; P23-T27 PolarHBondContact O-OG1 2.94Å; L25-T27 VanDerWaalsContact C-N 3.26Å; L25-T27 PolarHBondContact O-N 2.64Å; T27-I29 VanDerWaalsContact C-N 3.33Å; T27-I29 PolarHBondContact O-N 3.17Å; T27-G30 PolarHBondContact O-N 3.39Å; T27-Q31 WeakPolarHBondContact O-CB 3.06Å; T27-Q31 WeakPolarHBondContact O-CG 3.17Å; T27-Q31 PolarHBondContact O-N 2.98Å
28	A	95.9	Very high	92.7	Very high	9 Å²	9	53.9 Å²	53.9	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-36.2	-178.3	0	0	0	0	0	112.3	Q24 L25 W32 L61	Q24-A28 PolarHBondContact O-N 3.13Å; Q24-A28 VanDerWaalsContact O-N 3.09Å; L25-A28 PolarHBondContact O-N 3.11Å; L25-A28 VanDerWaalsContact O-N 3.1Å; A28-W32 WeakPolarHBondContact O-CB 3.33Å; A28-W32 PolarHBondContact O-N 3.33Å; A28-L61 HydrophobicContact CB-CB 3.89Å
29	I	97.3	Very high	94	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-50.2	173.1	-69	164	0	0	0	110.4	Y18 T20 L25 T27 Q31 W32 L33 L49 L57 L61	Y18-I29 HydrophobicContact CD1-CG2 4.32Å; Y18-I29 HydrophobicContact CD2-CB 4.32Å; Y18-I29 HydrophobicContact CD2-CG2 3.67Å; Y18-I29 HydrophobicContact CE1-CG2 4.49Å; Y18-I29 HydrophobicContact CE2-CG2 3.9Å; Y18-I29 HydrophobicContact CG-CG2 3.9Å; T20-I29 HydrophobicContact CG2-CD1 3.74Å; L25-I29 HydrophobicContact CD1-CD1 4.21Å; L25-I29 HydrophobicContact CD1-CG1 4.29Å; L25-I29 HydrophobicContact CG-CD1 3.87Å; L25-I29 HydrophobicContact CG-CG1 4.43Å; L25-I29 VanDerWaalsContact O-CG1 3.3Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 3.08Å; T27-I29 VanDerWaalsContact C-N 3.33Å; T27-I29 PolarHBondContact O-N 3.17Å; I29-Q31 VanDerWaalsContact C-N 3.32Å; I29-Q31 PolarHBondContact O-N 3.03Å; I29-W32 PolarHBondContact O-N 3.15Å; I29-L33 HydrophobicContact CG2-CD1 3.71Å; I29-L33 HydrophobicContact CG2-CG 4.29Å; I29-L33 WeakPolarHBondContact O-CB 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.31Å; I29-L33 PolarHBondContact O-N 3.28Å; I29-L49 HydrophobicContact CD1-CD1 4.26Å; I29-L49 HydrophobicContact CG2-CD2 4.35Å; I29-L57 HydrophobicContact CD1-CD1 4.22Å; I29-L61 HydrophobicContact CB-CD1 4.48Å; I29-L61 HydrophobicContact CG1-CD1 3.59Å
30	G	95.8	Very high	94.9	Very high	27 Å²	27	51.9 Å²	51.9	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-59.3	-42.9	178.9	0	0	0	0	0	112.6	D26 T27 R34	D26-G30 PolarHBondContact O-N 3.28Å; D26-G30 VanDerWaalsContact O-N 3.1Å; T27-G30 PolarHBondContact O-N 3.39Å; G30-R34 VanDerWaalsContact O-CB 3.23Å; G30-R34 WeakPolarHBondContact O-CB 3.41Å; G30-R34 PolarHBondContact O-N 3.38Å; G30-R34 VanDerWaalsContact O-N 3.13Å
31	Q	96.2	Very high	95.4	Very high	75 Å²	75	51 Å²	51	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-49.4	174.8	-76.9	178.5	-11.5	0	0	112.3	T27 I29 R34 W35 F80	T27-Q31 WeakPolarHBondContact O-CB 3.06Å; T27-Q31 WeakPolarHBondContact O-CG 3.17Å; T27-Q31 PolarHBondContact O-N 2.98Å; I29-Q31 VanDerWaalsContact C-N 3.32Å; I29-Q31 PolarHBondContact O-N 3.03Å; Q31-R34 PolarHBondContact O-N 2.75Å; Q31-W35 HydrophobicContact CB-CD2 4.33Å; Q31-W35 HydrophobicContact CB-CE3 3.88Å; Q31-W35 HydrophobicContact CB-CH2 3.79Å; Q31-W35 HydrophobicContact CB-CZ2 4.24Å; Q31-W35 HydrophobicContact CB-CZ3 3.6Å; Q31-W35 VanDerWaalsContact CD-CH2 3.49Å; Q31-W35 HydrophobicContact CG-CH2 3.59Å; Q31-W35 HydrophobicContact CG-CZ2 3.95Å; Q31-W35 HydrophobicContact CG-CZ3 3.94Å; Q31-W35 WeakPolarHBondContact O-CB 3.45Å; Q31-W35 VanDerWaalsContact O-CG 3.28Å; Q31-W35 PolarHBondContact O-N 3.26Å; Q31-F80 HydrophobicContact CB-CZ 4.45Å
32	W	97.3	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-52.8	178.4	177.9	-86	0	0	0	111.8	A28 I29 R34 W35 D36 I45 L61 A78 G79 F80 N84 L86	A28-W32 WeakPolarHBondContact O-CB 3.33Å; A28-W32 PolarHBondContact O-N 3.33Å; I29-W32 PolarHBondContact O-N 3.15Å; W32-R34 PolarHBondContact O-N 2.98Å; W32-W35 PolarHBondContact O-N 3.45Å; W32-D36 HydrophobicContact CD2-CB 4.29Å; W32-D36 HydrophobicContact CZ2-CB 3.96Å; W32-D36 VanDerWaalsContact CZ2-OD2 3.24Å; W32-D36 WeakPolarHBondContact CZ2-OD2 3.25Å; W32-D36 PolarHBondContact NE1-OD2 3.04Å; W32-D36 VanDerWaalsContact O-CB 3.32Å; W32-D36 WeakPolarHBondContact O-CB 3.44Å; W32-D36 PolarHBondContact O-N 3.36Å; W32-I45 HydrophobicContact CD2-CG1 4.35Å; W32-I45 HydrophobicContact CG-CG1 4.18Å; W32-I45 VanDerWaalsContact NE1-CG1 3.32Å; W32-L61 HydrophobicContact CB-CD2 3.78Å; W32-L61 HydrophobicContact CD2-CD2 3.91Å; W32-L61 HydrophobicContact CE3-CD2 3.94Å; W32-L61 HydrophobicContact CG-CD2 3.83Å; W32-A78 HydrophobicContact CZ2-CB 3.94Å; W32-G79 VanDerWaalsContact CZ3-CA 3.44Å; W32-G79 VanDerWaalsContact CZ3-N 3.32Å; W32-G79 WeakPolarHBondContact CZ3-O 3.27Å; W32-F80 HydrophobicContact CB-CE2 4.27Å; W32-F80 HydrophobicContact CB-CZ 4.12Å; W32-F80 AromaticContact CE3-CD1 3.94Å; W32-F80 HydrophobicContact CE3-CD1 3.94Å; W32-F80 HydrophobicContact CE3-CD2 4.45Å; W32-F80 AromaticContact CE3-CE1 3.72Å; W32-F80 HydrophobicContact CE3-CE1 3.72Å; W32-F80 HydrophobicContact CE3-CE2 4.27Å; W32-F80 HydrophobicContact CE3-CG 4.3Å; W32-F80 AromaticContact CE3-CZ 3.9Å; W32-F80 HydrophobicContact CE3-CZ 3.9Å; W32-F80 HydrophobicContact CZ3-CD1 4.09Å; W32-F80 HydrophobicContact CZ3-CE1 4.19Å; W32-N84 WeakPolarHBondContact CH2-ND2 3.49Å; W32-L86 HydrophobicContact CD2-CD2 4.49Å; W32-L86 HydrophobicContact CE3-CD2 3.89Å; W32-L86 HydrophobicContact CH2-CB 4.5Å; W32-L86 HydrophobicContact CH2-CD2 4.41Å; W32-L86 HydrophobicContact CZ3-CB 4.49Å; W32-L86 HydrophobicContact CZ3-CD2 3.84Å
33	L	96.4	Very high	96.2	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-23.1	-176.4	-66.2	176.7	0	0	0	113.3	Y18 I29 K42 I45 E46	Y18-L33 HydrophobicContact CE1-CD1 4.09Å; Y18-L33 HydrophobicContact CE2-CD1 4.13Å; Y18-L33 VanDerWaalsContact OH-CD1 3.27Å; Y18-L33 WeakPolarHBondContact OH-CD1 3.43Å; I29-L33 HydrophobicContact CG2-CD1 3.71Å; I29-L33 HydrophobicContact CG2-CG 4.29Å; I29-L33 WeakPolarHBondContact O-CB 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.31Å; I29-L33 PolarHBondContact O-N 3.28Å; L33-K42 HydrophobicContact CD2-CG 3.82Å; L33-K42 PolarHBondContact O-NZ 3.01Å; L33-I45 HydrophobicContact CD2-CB 4.44Å; L33-I45 HydrophobicContact CD2-CG2 4.19Å; L33-E46 HydrophobicContact CD2-CG 3.75Å
34	R	96.2	Very high	96.4	Very high	166 Å²	166	50 Å²	50	63%	0.626	24%	0.244	S	C	*	.	H	α-helix	trans	-79.1	-43.6	172.8	176.4	177.8	165.9	168.1	-6.8	112.4	G30 Q31 W32 E211	G30-R34 VanDerWaalsContact O-CB 3.23Å; G30-R34 WeakPolarHBondContact O-CB 3.41Å; G30-R34 PolarHBondContact O-N 3.38Å; G30-R34 VanDerWaalsContact O-N 3.13Å; Q31-R34 PolarHBondContact O-N 2.75Å; W32-R34 PolarHBondContact O-N 2.98Å; R34-E211 IonicContact CZ-OE1 2.78Å; R34-E211 IonicContact NE-OE1 3.8Å; R34-E211 IonicContact NH2-OE1 3.51Å; R34-E211 PolarHBondContact NH2-OE1 3.42Å; R34-E211 IonicContact NH2-OE2 3.48Å
35	W	97.5	Very high	96.5	Very high	23 Å²	23	44.8 Å²	44.8	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-91.1	-32.4	-170.7	-62.3	-29.4	0	0	0	114.2	Q31 W32 F80 L86 V210 E211 P212 W217	Q31-W35 HydrophobicContact CB-CD2 4.33Å; Q31-W35 HydrophobicContact CB-CE3 3.88Å; Q31-W35 HydrophobicContact CB-CH2 3.79Å; Q31-W35 HydrophobicContact CB-CZ2 4.24Å; Q31-W35 HydrophobicContact CB-CZ3 3.6Å; Q31-W35 VanDerWaalsContact CD-CH2 3.49Å; Q31-W35 HydrophobicContact CG-CH2 3.59Å; Q31-W35 HydrophobicContact CG-CZ2 3.95Å; Q31-W35 HydrophobicContact CG-CZ3 3.94Å; Q31-W35 WeakPolarHBondContact O-CB 3.45Å; Q31-W35 VanDerWaalsContact O-CG 3.28Å; Q31-W35 PolarHBondContact O-N 3.26Å; W32-W35 PolarHBondContact O-N 3.45Å; W35-F80 HydrophobicContact CE3-CE1 4.18Å; W35-F80 AromaticContact CE3-CZ 3.95Å; W35-F80 HydrophobicContact CE3-CZ 3.95Å; W35-F80 HydrophobicContact CZ3-CE1 4.41Å; W35-F80 HydrophobicContact CZ3-CZ 4.04Å; W35-L86 HydrophobicContact CB-CD1 3.92Å; W35-L86 HydrophobicContact CB-CD2 3.88Å; W35-V210 HydrophobicContact CH2-CB 4.13Å; W35-V210 HydrophobicContact CH2-CG2 3.59Å; W35-V210 HydrophobicContact CZ2-CG2 4.27Å; W35-V210 HydrophobicContact CZ3-CB 4.12Å; W35-V210 HydrophobicContact CZ3-CG2 4.09Å; W35-E211 HydrophobicContact CZ2-CB 4.15Å; W35-E211 PolarHBondContact NE1-OE1 2.74Å; W35-P212 HydrophobicContact CB-CG 4.11Å; W35-P212 HydrophobicContact CG-CG 4.49Å; W35-W217 VanDerWaalsContact O-CZ2 3.28Å; W35-W217 WeakPolarHBondContact O-CZ2 3.42Å
36	D	97.6	Very high	96.6	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	23%	0.234	C	C	.	.			trans	-74.8	125.3	178.8	-173.5	25.7	0	0	0	110.8	W32 N38 T41 K42 L86	W32-D36 HydrophobicContact CD2-CB 4.29Å; W32-D36 HydrophobicContact CZ2-CB 3.96Å; W32-D36 VanDerWaalsContact CZ2-OD2 3.24Å; W32-D36 WeakPolarHBondContact CZ2-OD2 3.25Å; W32-D36 PolarHBondContact NE1-OD2 3.04Å; W32-D36 VanDerWaalsContact O-CB 3.32Å; W32-D36 WeakPolarHBondContact O-CB 3.44Å; W32-D36 PolarHBondContact O-N 3.36Å; D36-N38 PolarHBondContact OD1-N 3.16Å; D36-T41 PolarHBondContact OD1-OG1 3.12Å; D36-T41 WeakPolarHBondContact OD2-CB 3.2Å; D36-T41 PolarHBondContact OD2-OG1 2.59Å; D36-K42 PolarHBondContact OD2-N 3.07Å; D36-K42 VanDerWaalsContact OD2-N 3.16Å; D36-L86 HydrophobicContact CB-CD2 4.06Å
37	K	96.5	Very high	96.6	Very high	141 Å²	141	49.8 Å²	49.8	61%	0.613	25%	0.245	S	C	*	.			trans	-107.6	-1.2	176.9	-59.7	-168	-176.6	-177.6	0	113	P39 W217	K37-P39 WeakPolarHBondContact O-CD 3.4Å; K37-W217 HydrophobicContact CB-CD2 3.91Å; K37-W217 HydrophobicContact CB-CE3 3.85Å; K37-W217 HydrophobicContact CB-CH2 4.02Å; K37-W217 HydrophobicContact CB-CZ2 4.08Å; K37-W217 HydrophobicContact CB-CZ3 3.91Å; K37-W217 HydrophobicContact CD-CB 4.15Å; K37-W217 HydrophobicContact CD-CD2 3.87Å; K37-W217 HydrophobicContact CD-CG 3.69Å; K37-W217 HydrophobicContact CG-CD2 3.95Å; K37-W217 HydrophobicContact CG-CE3 4.42Å; K37-W217 HydrophobicContact CG-CG 4.27Å; K37-W217 HydrophobicContact CG-CZ2 4.16Å
38	N	96.7	Very high	96.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.23	C	C	.	.			trans	-81.8	117.1	175.8	179.2	-34.5	0	0	0	109.7	D36 K40 T41 K42 D85 S123 S124	D36-N38 PolarHBondContact OD1-N 3.16Å; N38-K40 VanDerWaalsContact C-N 3.26Å; N38-K40 PolarHBondContact O-N 2.9Å; N38-K40 WeakPolarHBondContact OD1-CB 3.45Å; N38-K40 PolarHBondContact OD1-N 3.18Å; N38-T41 VanDerWaalsContact CB-OG1 3.27Å; N38-T41 WeakPolarHBondContact CB-OG1 3.44Å; N38-T41 PolarHBondContact O-N 2.83Å; N38-T41 PolarHBondContact O-OG1 3.1Å; N38-T41 PolarHBondContact OD1-N 2.94Å; N38-K42 VanDerWaalsContact O-CB 3.25Å; N38-K42 WeakPolarHBondContact O-CB 3.19Å; N38-K42 PolarHBondContact O-N 3.32Å; N38-D85 WeakPolarHBondContact CB-OD2 3.23Å; N38-D85 PolarHBondContact ND2-OD2 3.19Å; N38-S123 PolarHBondContact ND2-O 3.28Å; N38-S124 PolarHBondContact ND2-OG 2.7Å; N38-S124 VanDerWaalsContact ND2-OG 3.13Å; N38-S124 PolarHBondContact OD1-OG 3.41Å
39	P	96.4	Very high	96.7	Very high	99 Å²	99	49.1 Å²	49.1	64%	0.643	24%	0.237	S	C	*	.	H	α-helix	trans	-64.2	-30.6	-174.2	25.4	-33.9	0	0	0	112.7	K37 E43	K37-P39 WeakPolarHBondContact O-CD 3.4Å; P39-E43 WeakPolarHBondContact O-CB 3.2Å; P39-E43 PolarHBondContact O-N 3.06Å
40	K	96.9	Very high	96.6	Very high	100 Å²	100	56.4 Å²	56.4	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-72.8	-45.9	-178.7	-68.4	-64.2	-177.4	-173.4	0	112	N38 E43 Q44	N38-K40 VanDerWaalsContact C-N 3.26Å; N38-K40 PolarHBondContact O-N 2.9Å; N38-K40 WeakPolarHBondContact OD1-CB 3.45Å; N38-K40 PolarHBondContact OD1-N 3.18Å; K40-E43 PolarHBondContact O-N 3.45Å; K40-Q44 WeakPolarHBondContact O-CG 3.48Å; K40-Q44 PolarHBondContact O-N 2.86Å; K40-Q44 VanDerWaalsContact O-N 3.1Å
41	T	97.1	Very high	96.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-73.1	-32.5	178	49.6	0	0	0	0	111.9	D36 N38 Q44 I45 A78	D36-T41 PolarHBondContact OD1-OG1 3.12Å; D36-T41 WeakPolarHBondContact OD2-CB 3.2Å; D36-T41 PolarHBondContact OD2-OG1 2.59Å; N38-T41 VanDerWaalsContact CB-OG1 3.27Å; N38-T41 WeakPolarHBondContact CB-OG1 3.44Å; N38-T41 PolarHBondContact O-N 2.83Å; N38-T41 PolarHBondContact O-OG1 3.1Å; N38-T41 PolarHBondContact OD1-N 2.94Å; T41-Q44 WeakPolarHBondContact O-CB 3.25Å; T41-Q44 PolarHBondContact O-N 2.89Å; T41-I45 PolarHBondContact O-N 2.97Å; T41-A78 HydrophobicContact CG2-CB 4.22Å; T41-A78 WeakPolarHBondContact O-CB 3.42Å
42	K	96.8	Very high	96.5	Very high	67 Å²	67	59.4 Å²	59.4	29%	0.291	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-48.7	169.8	-172.9	167.5	179.8	158.9	0	111.9	L33 D36 N38 Q44 I45 E46	L33-K42 HydrophobicContact CD2-CG 3.82Å; L33-K42 PolarHBondContact O-NZ 3.01Å; D36-K42 PolarHBondContact OD2-N 3.07Å; D36-K42 VanDerWaalsContact OD2-N 3.16Å; N38-K42 VanDerWaalsContact O-CB 3.25Å; N38-K42 WeakPolarHBondContact O-CB 3.19Å; N38-K42 PolarHBondContact O-N 3.32Å; K42-Q44 VanDerWaalsContact C-N 3.27Å; K42-Q44 PolarHBondContact O-N 2.8Å; K42-I45 PolarHBondContact O-N 3.18Å; K42-I45 VanDerWaalsContact O-N 3.14Å; K42-E46 VanDerWaalsContact CE-OE1 3.23Å; K42-E46 WeakPolarHBondContact CE-OE1 3.46Å; K42-E46 HydrophobicContact CG-CG 4.47Å; K42-E46 WeakPolarHBondContact O-CG 3.22Å; K42-E46 PolarHBondContact O-N 2.97Å
43	E	97.1	Very high	96.4	Very high	85 Å²	85	64.1 Å²	64.1	40%	0.397	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-36.2	176.7	177.6	175.8	-157.4	0	0	112.3	P39 K40 E46 N47	P39-E43 WeakPolarHBondContact O-CB 3.2Å; P39-E43 PolarHBondContact O-N 3.06Å; K40-E43 PolarHBondContact O-N 3.45Å; E43-E46 PolarHBondContact O-N 3.36Å; E43-N47 WeakPolarHBondContact CG-ND2 3.47Å; E43-N47 VanDerWaalsContact O-CB 3.28Å; E43-N47 WeakPolarHBondContact O-CB 3.47Å; E43-N47 PolarHBondContact O-N 3.28Å; E43-N47 PolarHBondContact O-ND2 3.46Å; E43-N47 VanDerWaalsContact O-ND2 3.1Å
44	Q	96.9	Very high	96.4	Very high	38 Å²	38	66.2 Å²	66.2	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-47.4	174.3	-72.1	175.2	24.6	0	0	112.1	K40 T41 K42 N47 L48 A78 T122	K40-Q44 WeakPolarHBondContact O-CG 3.48Å; K40-Q44 PolarHBondContact O-N 2.86Å; K40-Q44 VanDerWaalsContact O-N 3.1Å; T41-Q44 WeakPolarHBondContact O-CB 3.25Å; T41-Q44 PolarHBondContact O-N 2.89Å; K42-Q44 VanDerWaalsContact C-N 3.27Å; K42-Q44 PolarHBondContact O-N 2.8Å; Q44-N47 PolarHBondContact O-N 2.93Å; Q44-L48 WeakPolarHBondContact O-CG 3.35Å; Q44-L48 PolarHBondContact O-N 2.89Å; Q44-A78 HydrophobicContact CB-CB 3.77Å; Q44-A78 VanDerWaalsContact OE1-N 3.14Å; Q44-T122 PolarHBondContact NE2-O 2.97Å
45	I	97.5	Very high	96.3	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.7	-42.4	178.4	-63.5	-52.2	0	0	0	111.2	W32 L33 T41 K42 N47 L48 L49 L57 L61 A78	W32-I45 HydrophobicContact CD2-CG1 4.35Å; W32-I45 HydrophobicContact CG-CG1 4.18Å; W32-I45 VanDerWaalsContact NE1-CG1 3.32Å; L33-I45 HydrophobicContact CD2-CB 4.44Å; L33-I45 HydrophobicContact CD2-CG2 4.19Å; T41-I45 PolarHBondContact O-N 2.97Å; K42-I45 PolarHBondContact O-N 3.18Å; K42-I45 VanDerWaalsContact O-N 3.14Å; I45-N47 VanDerWaalsContact C-N 3.31Å; I45-N47 PolarHBondContact O-N 2.92Å; I45-L48 HydrophobicContact CD1-CD1 4.33Å; I45-L48 PolarHBondContact O-N 3.24Å; I45-L49 WeakPolarHBondContact O-CB 3.5Å; I45-L49 PolarHBondContact O-N 2.68Å; I45-L57 HydrophobicContact CD1-CD2 4.23Å; I45-L57 HydrophobicContact CG2-CD2 3.92Å; I45-L61 HydrophobicContact CD1-CD1 4.44Å; I45-L61 HydrophobicContact CD1-CD2 4.33Å; I45-L61 HydrophobicContact CD1-CG 4.44Å; I45-L61 HydrophobicContact CG2-CD1 4.26Å; I45-A78 HydrophobicContact CD1-CB 3.8Å; I45-A78 HydrophobicContact CG1-CB 3.79Å
46	E	96.3	Very high	96.2	Very high	64 Å²	64	67.8 Å²	67.8	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-37.7	176.7	-69.3	177.7	175.6	0	0	112.3	L33 K42 E43 L49 R50	L33-E46 HydrophobicContact CD2-CG 3.75Å; K42-E46 VanDerWaalsContact CE-OE1 3.23Å; K42-E46 WeakPolarHBondContact CE-OE1 3.46Å; K42-E46 HydrophobicContact CG-CG 4.47Å; K42-E46 WeakPolarHBondContact O-CG 3.22Å; K42-E46 PolarHBondContact O-N 2.97Å; E43-E46 PolarHBondContact O-N 3.36Å; E46-L49 PolarHBondContact O-N 2.97Å; E46-R50 WeakPolarHBondContact O-CG 3.39Å; E46-R50 PolarHBondContact O-N 3.48Å; E46-R50 IonicContact OE2-NH1 3.92Å
47	N	96.5	Very high	96.1	Very high	58 Å²	58	67.6 Å²	67.6	31%	0.31	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-45.3	174	-84.7	-41	0	0	0	112.1	E43 Q44 I45 L49 R50 N51	E43-N47 WeakPolarHBondContact CG-ND2 3.47Å; E43-N47 VanDerWaalsContact O-CB 3.28Å; E43-N47 WeakPolarHBondContact O-CB 3.47Å; E43-N47 PolarHBondContact O-N 3.28Å; E43-N47 PolarHBondContact O-ND2 3.46Å; E43-N47 VanDerWaalsContact O-ND2 3.1Å; Q44-N47 PolarHBondContact O-N 2.93Å; I45-N47 VanDerWaalsContact C-N 3.31Å; I45-N47 PolarHBondContact O-N 2.92Å; N47-L49 VanDerWaalsContact C-N 3.27Å; N47-L49 PolarHBondContact O-N 3.37Å; N47-R50 PolarHBondContact O-N 3.33Å; N47-R50 PolarHBondContact OD1-NH2 2.9Å; N47-N51 WeakPolarHBondContact O-CB 3.42Å; N47-N51 PolarHBondContact O-N 3.48Å; N47-N51 VanDerWaalsContact O-N 3.09Å; N47-N51 PolarHBondContact O-ND2 2.86Å
48	L	96.5	Very high	96.1	Very high	27 Å²	27	65 Å²	65	14%	0.141	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-39.4	176.8	-70.7	172.6	0	0	0	111.4	Q44 I45 N51 G52 M53 E56 L57	Q44-L48 WeakPolarHBondContact O-CG 3.35Å; Q44-L48 PolarHBondContact O-N 2.89Å; I45-L48 HydrophobicContact CD1-CD1 4.33Å; I45-L48 PolarHBondContact O-N 3.24Å; L48-N51 PolarHBondContact O-N 2.94Å; L48-G52 PolarHBondContact O-N 3.41Å; L48-M53 HydrophobicContact CB-CB 4.25Å; L48-M53 HydrophobicContact CD2-CB 3.81Å; L48-M53 HydrophobicContact CD2-CG 4.09Å; L48-M53 PolarHBondContact O-N 2.91Å; L48-E56 HydrophobicContact CD1-CG 3.85Å; L48-E56 HydrophobicContact CD2-CB 4.28Å; L48-E56 HydrophobicContact CD2-CG 3.83Å; L48-L57 HydrophobicContact CB-CD1 4.33Å; L48-L57 HydrophobicContact CB-CD2 3.63Å; L48-L57 HydrophobicContact CB-CG 3.8Å; L48-L57 HydrophobicContact CD1-CD2 4.12Å
49	L	94.8	Very high	95.9	Very high	42 Å²	42	69 Å²	69	22%	0.22	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-48.6	175.5	179.4	64.4	0	0	0	112.1	Y18 T20 I29 I45 E46 N47 N51 G52 L57	Y18-L49 HydrophobicContact CD1-CD2 3.45Å; Y18-L49 VanDerWaalsContact CD1-CD2 3.45Å; Y18-L49 HydrophobicContact CE1-CD2 3.68Å; Y18-L49 HydrophobicContact CG-CD2 4.34Å; T20-L49 HydrophobicContact CG2-CD1 4.18Å; I29-L49 HydrophobicContact CD1-CD1 4.26Å; I29-L49 HydrophobicContact CG2-CD2 4.35Å; I45-L49 WeakPolarHBondContact O-CB 3.5Å; I45-L49 PolarHBondContact O-N 2.68Å; E46-L49 PolarHBondContact O-N 2.97Å; N47-L49 VanDerWaalsContact C-N 3.27Å; N47-L49 PolarHBondContact O-N 3.37Å; L49-N51 PolarHBondContact O-N 3.48Å; L49-G52 PolarHBondContact O-N 3.28Å; L49-G52 VanDerWaalsContact O-N 3.1Å; L49-L57 HydrophobicContact CB-CD1 4.36Å; L49-L57 HydrophobicContact CD1-CD1 4.48Å
50	R	95	Very high	95.9	Very high	153 Å²	153	66.2 Å²	66.2	58%	0.577	32%	0.319	S	S	*	.	H	α-helix	trans	-58.4	-33.1	177	-78.9	-170.1	-68.6	-92.7	7.1	113	E46 N47	E46-R50 WeakPolarHBondContact O-CG 3.39Å; E46-R50 PolarHBondContact O-N 3.48Å; E46-R50 IonicContact OE2-NH1 3.92Å; N47-R50 PolarHBondContact O-N 3.33Å; N47-R50 PolarHBondContact OD1-NH2 2.9Å
51	N	95.8	Very high	95.9	Very high	117 Å²	117	61.8 Å²	61.8	63%	0.626	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	5.2	-179.1	-67	-57	0	0	0	113.7	N47 L48 L49 M53	N47-N51 WeakPolarHBondContact O-CB 3.42Å; N47-N51 PolarHBondContact O-N 3.48Å; N47-N51 VanDerWaalsContact O-N 3.09Å; N47-N51 PolarHBondContact O-ND2 2.86Å; L48-N51 PolarHBondContact O-N 2.94Å; L49-N51 PolarHBondContact O-N 3.48Å; N51-M53 VanDerWaalsContact C-N 3.27Å; N51-M53 HydrophobicContact CB-CG 3.92Å; N51-M53 PolarHBondContact O-N 3.29Å
52	G	94.2	Very high	95.8	Very high	49 Å²	49	63.4 Å²	63.4	51%	0.505	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	26.9	178.6	0	0	0	0	0	114.4	L48 L49 N54	L48-G52 PolarHBondContact O-N 3.41Å; L49-G52 PolarHBondContact O-N 3.28Å; L49-G52 VanDerWaalsContact O-N 3.1Å; G52-N54 PolarHBondContact O-N 3.48Å
53	M	96.4	Very high	95.5	Very high	98 Å²	98	63.2 Å²	63.2	48%	0.483	32%	0.317	S	S	.	.			trans	-80.5	55.8	-175.7	-62.2	-63.2	-68.3	0	0	112	L48 N51 K55 E56 L57	L48-M53 HydrophobicContact CB-CB 4.25Å; L48-M53 HydrophobicContact CD2-CB 3.81Å; L48-M53 HydrophobicContact CD2-CG 4.09Å; L48-M53 PolarHBondContact O-N 2.91Å; N51-M53 VanDerWaalsContact C-N 3.27Å; N51-M53 HydrophobicContact CB-CG 3.92Å; N51-M53 PolarHBondContact O-N 3.29Å; M53-K55 VanDerWaalsContact C-N 3.3Å; M53-K55 PolarHBondContact O-N 3.31Å; M53-E56 HydrophobicContact CB-CB 4.32Å; M53-E56 PolarHBondContact O-N 3.03Å; M53-E56 VanDerWaalsContact O-N 3.16Å; M53-L57 PolarHBondContact O-N 3.45Å
54	N	94.8	Very high	95.1	Very high	59 Å²	59	62.8 Å²	62.8	32%	0.316	31%	0.312	S	S	.	.	H	α-helix	trans	-59.8	-35	-169.8	-66	-4.7	0	0	0	113.7	T20 L25 G52 R58	T20-N54 PolarHBondContact O-ND2 3.46Å; T20-N54 VanDerWaalsContact O-ND2 3.15Å; L25-N54 HydrophobicContact CD2-CB 4.23Å; G52-N54 PolarHBondContact O-N 3.48Å; N54-R58 WeakPolarHBondContact O-CB 3.34Å; N54-R58 PolarHBondContact O-N 3.27Å
55	K	94.5	Very high	94.8	Very high	163 Å²	163	62.1 Å²	62.1	71%	0.709	31%	0.309	S	S	*	.	H	α-helix	trans	-62.8	-50.8	176.3	-176.2	-176	174	-171.9	0	111.4	M53 L57 R58 D59	M53-K55 VanDerWaalsContact C-N 3.3Å; M53-K55 PolarHBondContact O-N 3.31Å; K55-L57 VanDerWaalsContact C-N 3.33Å; K55-L57 PolarHBondContact O-N 2.84Å; K55-R58 WeakPolarHBondContact O-CB 3.46Å; K55-R58 PolarHBondContact O-N 3.09Å; K55-D59 VanDerWaalsContact O-CG 3.31Å; K55-D59 PolarHBondContact O-N 2.94Å
56	E	95.1	Very high	94.4	Very high	58 Å²	58	67 Å²	67	27%	0.271	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-39.5	179.6	-177	65.8	-166.3	0	0	111.5	L48 M53 R58 D59 R60	L48-E56 HydrophobicContact CD1-CG 3.85Å; L48-E56 HydrophobicContact CD2-CB 4.28Å; L48-E56 HydrophobicContact CD2-CG 3.83Å; M53-E56 HydrophobicContact CB-CB 4.32Å; M53-E56 PolarHBondContact O-N 3.03Å; M53-E56 VanDerWaalsContact O-N 3.16Å; E56-R58 VanDerWaalsContact C-N 3.35Å; E56-R58 PolarHBondContact O-N 3.29Å; E56-D59 PolarHBondContact O-N 2.78Å; E56-R60 WeakPolarHBondContact O-CB 3.5Å; E56-R60 VanDerWaalsContact O-CG 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 3.11Å; E56-R60 IonicContact OE1-CZ 3.95Å; E56-R60 IonicContact OE1-NE 2.66Å; E56-R60 PolarHBondContact OE1-NE 3.45Å; E56-R60 IonicContact OE1-NH2 3.71Å; E56-R60 PolarHBondContact OE1-NH2 2.91Å
57	L	96.7	Very high	94	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-45.4	173.6	-74.2	167.2	0	0	0	111.4	L25 I29 I45 L48 L49 M53 K55 R60 L61	L25-L57 HydrophobicContact CD1-CB 3.93Å; L25-L57 HydrophobicContact CD2-CB 4.18Å; I29-L57 HydrophobicContact CD1-CD1 4.22Å; I45-L57 HydrophobicContact CD1-CD2 4.23Å; I45-L57 HydrophobicContact CG2-CD2 3.92Å; L48-L57 HydrophobicContact CB-CD1 4.33Å; L48-L57 HydrophobicContact CB-CD2 3.63Å; L48-L57 HydrophobicContact CB-CG 3.8Å; L48-L57 HydrophobicContact CD1-CD2 4.12Å; L49-L57 HydrophobicContact CB-CD1 4.36Å; L49-L57 HydrophobicContact CD1-CD1 4.48Å; M53-L57 PolarHBondContact O-N 3.45Å; K55-L57 VanDerWaalsContact C-N 3.33Å; K55-L57 PolarHBondContact O-N 2.84Å; L57-R60 PolarHBondContact O-N 2.87Å; L57-L61 HydrophobicContact CD2-CD1 4.06Å; L57-L61 VanDerWaalsContact O-CB 3.23Å; L57-L61 WeakPolarHBondContact O-CB 3.39Å; L57-L61 WeakPolarHBondContact O-CG 3.5Å; L57-L61 PolarHBondContact O-N 3.34Å
58	R	95.9	Very high	93.3	Very high	88 Å²	88	63.4 Å²	63.4	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-44.6	177	178.9	173.1	-95.9	-77.2	10.6	111.6	D22 L25 N54 K55 E56 R60 L61 C62	D22-R58 IonicContact OD1-CZ 2.85Å; D22-R58 IonicContact OD1-NH2 2.6Å; D22-R58 PolarHBondContact OD1-NH2 3.13Å; D22-R58 IonicContact OD2-CZ 3.03Å; D22-R58 IonicContact OD2-NE 2.81Å; D22-R58 PolarHBondContact OD2-NE 3.44Å; D22-R58 IonicContact OD2-NH2 2.69Å; D22-R58 PolarHBondContact OD2-NH2 3.36Å; L25-R58 HydrophobicContact CD1-CB 4.26Å; L25-R58 HydrophobicContact CD2-CB 4.34Å; N54-R58 WeakPolarHBondContact O-CB 3.34Å; N54-R58 PolarHBondContact O-N 3.27Å; K55-R58 WeakPolarHBondContact O-CB 3.46Å; K55-R58 PolarHBondContact O-N 3.09Å; E56-R58 VanDerWaalsContact C-N 3.35Å; E56-R58 PolarHBondContact O-N 3.29Å; R58-R60 PolarHBondContact O-N 2.79Å; R58-L61 PolarHBondContact O-N 2.93Å; R58-C62 HydrophobicContact CG-CB 4.03Å; R58-C62 VanDerWaalsContact O-CB 3.29Å; R58-C62 WeakPolarHBondContact O-CB 3.36Å; R58-C62 PolarHBondContact O-N 3.29Å
59	D	93.1	Very high	92.4	Very high	84 Å²	84	65.1 Å²	65.1	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-25.2	178.6	-67.1	-17	0	0	0	112.4	K55 E56 C63 C81	K55-D59 VanDerWaalsContact O-CG 3.31Å; K55-D59 PolarHBondContact O-N 2.94Å; E56-D59 PolarHBondContact O-N 2.78Å; D59-C63 PolarHBondContact O-SG 3.5Å; D59-C81 PolarHBondContact O-SG 2.83Å
60	R	96	Very high	91.5	Very high	41 Å²	41	64.7 Å²	64.7	16%	0.155	34%	0.339	C	S	.	.	H	α-helix	trans	-88.7	-36	176.6	-73.8	177.7	-174.9	-136.9	5.2	114.5	E56 L57 R58 A78 G79 F80 C81 Y82	E56-R60 WeakPolarHBondContact O-CB 3.5Å; E56-R60 VanDerWaalsContact O-CG 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 3.11Å; E56-R60 IonicContact OE1-CZ 3.95Å; E56-R60 IonicContact OE1-NE 2.66Å; E56-R60 PolarHBondContact OE1-NE 3.45Å; E56-R60 IonicContact OE1-NH2 3.71Å; E56-R60 PolarHBondContact OE1-NH2 2.91Å; L57-R60 PolarHBondContact O-N 2.87Å; R58-R60 PolarHBondContact O-N 2.79Å; R60-A78 WeakPolarHBondContact CD-O 3.49Å; R60-G79 CarbonylContact O-C 3.36Å; R60-G79 VanDerWaalsContact O-CA 3.29Å; R60-G79 WeakPolarHBondContact O-CA 3.31Å; R60-F80 PolarHBondContact O-N 3.05Å; R60-C81 VanDerWaalsContact C-SG 3.58Å; R60-C81 PolarHBondContact O-N 2.65Å; R60-C81 VanDerWaalsContact O-N 3.14Å; R60-C81 PolarHBondContact O-SG 2.75Å; R60-Y82 HydrophobicContact CB-CE2 4.34Å; R60-Y82 HydrophobicContact CG-CD2 4.18Å; R60-Y82 HydrophobicContact CG-CE2 3.58Å
61	L	97	Very high	91.2	Very high	6 Å²	6	58 Å²	58	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-110.5	-22.5	-165.3	-63.6	171.8	0	0	0	113.8	L25 A28 I29 W32 I45 L57 R58 F80	L25-L61 HydrophobicContact CD1-CB 4.46Å; L25-L61 HydrophobicContact CD1-CD1 4.41Å; A28-L61 HydrophobicContact CB-CB 3.89Å; I29-L61 HydrophobicContact CB-CD1 4.48Å; I29-L61 HydrophobicContact CG1-CD1 3.59Å; W32-L61 HydrophobicContact CB-CD2 3.78Å; W32-L61 HydrophobicContact CD2-CD2 3.91Å; W32-L61 HydrophobicContact CE3-CD2 3.94Å; W32-L61 HydrophobicContact CG-CD2 3.83Å; I45-L61 HydrophobicContact CD1-CD1 4.44Å; I45-L61 HydrophobicContact CD1-CD2 4.33Å; I45-L61 HydrophobicContact CD1-CG 4.44Å; I45-L61 HydrophobicContact CG2-CD1 4.26Å; L57-L61 HydrophobicContact CD2-CD1 4.06Å; L57-L61 VanDerWaalsContact O-CB 3.23Å; L57-L61 WeakPolarHBondContact O-CB 3.39Å; L57-L61 WeakPolarHBondContact O-CG 3.5Å; L57-L61 PolarHBondContact O-N 3.34Å; R58-L61 PolarHBondContact O-N 2.93Å; L61-F80 HydrophobicContact CB-CD2 4.5Å; L61-F80 HydrophobicContact CD2-CD2 4.09Å; L61-F80 HydrophobicContact CD2-CE2 4.17Å; L61-F80 WeakPolarHBondContact O-CD2 3.41Å
62	C	94.7	Very high	91.1	Very high	35 Å²	35	52.5 Å²	52.5	24%	0.236	29%	0.288	C	S	.	.	S	Bend	trans	-98.5	12.4	-174.6	-63.7	0	0	0	0	113.9	R58	R58-C62 HydrophobicContact CG-CB 4.03Å; R58-C62 VanDerWaalsContact O-CB 3.29Å; R58-C62 WeakPolarHBondContact O-CB 3.36Å; R58-C62 PolarHBondContact O-N 3.29Å
63	C	89.9	Confident	91.1	Very high	62 Å²	62	54.4 Å²	54.4	42%	0.419	28%	0.28	S	S	.	.			trans	-129.7	170.6	170.6	50.3	0	0	0	0	112.1	D59 F80 C81	D59-C63 PolarHBondContact O-SG 3.5Å; C63-F80 WeakPolarHBondContact O-CB 3.38Å; C63-C81 WeakPolarHBondContact CA-SG 3.33Å; C63-C81 HydrophobicContact CB-CB 4.39Å; C63-C81 WeakPolarHBondContact CB-SG 3.44Å; C63-C81 PolarHBondContact N-SG 3.21Å; C63-C81 VanDerWaalsContact N-SG 3.39Å; C63-C81 PolarHBondContact O-SG 3.06Å; C63-C81 WeakPolarHBondContact SG-CB 3.29Å; C63-C81 CovalentContact SG-SG 2.03Å; C63-C81 PolarHBondContact SG-SG 3.37Å
64	R	89.6	Confident	90.9	Very high	77 Å²	77	51.1 Å²	51.1	29%	0.291	27%	0.267	S	S	.	.			trans	-132.2	150.5	171.5	-76.8	-173.7	163.8	-98.6	-13.8	110.4	F80 I206 V210	R64-F80 HydrophobicContact CG-CB 4.43Å; R64-I206 VanDerWaalsContact NH1-CG2 3.26Å; R64-V210 VanDerWaalsContact NH2-CG1 3.31Å
65	M	91.2	Very high	90.9	Very high	24 Å²	24	49.6 Å²	49.6	12%	0.118	26%	0.263	C	S	.	.			trans	-64.3	146.5	172.7	-65.3	176.6	-72.8	0	0	110.8	L72 Y82 I83 T87	M65-L72 HydrophobicContact CB-CD2 4.33Å; M65-Y82 VanDerWaalsContact CE-O 3.24Å; M65-Y82 WeakPolarHBondContact CE-O 3.23Å; M65-I83 HydrophobicContact CE-CD1 3.76Å; M65-I83 HydrophobicContact CE-CG1 4.37Å; M65-I83 HydrophobicContact SD-CD1 3.49Å; M65-I83 WeakPolarHBondContact SD-CD1 3.31Å; M65-I83 HydrophobicContact SD-CG1 3.71Å; M65-T87 HydrophobicContact CE-CG2 4.13Å
66	T	88.6	Confident	90.9	Very high	101 Å²	101	42.1 Å²	42.1	62%	0.62	23%	0.23	S	C	*	.			trans	-122.2	156.2	175.6	57.4	0	0	0	0	110.3	G68 L72	T66-G68 PolarHBondContact O-N 3.49Å; T66-L72 VanDerWaalsContact C-CD2 3.42Å
67	F	88	Confident	91	Very high	28 Å²	28	39.5 Å²	39.5	12%	0.123	22%	0.219	C	C	.	.			trans	-69	119.3	177.2	-76.9	-74.3	0	0	0	110.8	L72 V186 I194 D199 I202 L203	F67-L72 HydrophobicContact CB-CD2 4.47Å; F67-L72 HydrophobicContact CD1-CD2 3.79Å; F67-L72 HydrophobicContact CD1-CG 3.94Å; F67-L72 HydrophobicContact CD2-CD2 4Å; F67-L72 HydrophobicContact CE1-CD1 4.4Å; F67-L72 HydrophobicContact CE1-CD2 3.92Å; F67-L72 HydrophobicContact CE1-CG 3.67Å; F67-L72 HydrophobicContact CE2-CD2 4.12Å; F67-L72 HydrophobicContact CE2-CG 4.5Å; F67-L72 HydrophobicContact CG-CD2 3.82Å; F67-L72 HydrophobicContact CG-CG 4.47Å; F67-L72 HydrophobicContact CZ-CD1 4.28Å; F67-L72 HydrophobicContact CZ-CD2 4.07Å; F67-L72 HydrophobicContact CZ-CG 3.97Å; F67-V186 HydrophobicContact CE1-CG2 3.88Å; F67-V186 HydrophobicContact CZ-CG2 4.26Å; F67-I194 HydrophobicContact CD1-CD1 4.12Å; F67-I194 HydrophobicContact CE1-CD1 3.88Å; F67-I194 HydrophobicContact CE2-CD1 4.39Å; F67-I194 HydrophobicContact CG-CD1 4.49Å; F67-I194 HydrophobicContact CZ-CD1 4.04Å; F67-D199 HydrophobicContact CB-CB 4.04Å; F67-D199 HydrophobicContact CD2-CB 3.95Å; F67-D199 WeakPolarHBondContact CD2-O 3.24Å; F67-D199 HydrophobicContact CG-CB 4.11Å; F67-I202 HydrophobicContact CE2-CB 4.01Å; F67-I202 HydrophobicContact CE2-CG2 3.76Å; F67-I202 HydrophobicContact CZ-CB 4.47Å; F67-I202 HydrophobicContact CZ-CG2 3.91Å; F67-L203 HydrophobicContact CD2-CD1 3.95Å; F67-L203 HydrophobicContact CD2-CD2 4.03Å; F67-L203 HydrophobicContact CD2-CG 3.69Å; F67-L203 HydrophobicContact CE2-CD2 4.13Å; F67-L203 HydrophobicContact CE2-CG 3.94Å
68	G	82.4	Confident	91	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-87.5	-152.9	172.2	0	0	0	0	0	112.8	T66 A70 G71	T66-G68 PolarHBondContact O-N 3.49Å; G68-A70 VanDerWaalsContact C-N 3.28Å; G68-A70 PolarHBondContact O-N 2.94Å; G68-G71 PolarHBondContact N-O 3.45Å
69	T	75.9	Confident	91.1	Very high	62 Å²	62	35.3 Å²	35.3	38%	0.38	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.4	176.9	-55.2	0	0	0	0	112.8	Q193	T69-Q193 PolarHBondContact O-OE1 2.89Å
70	A	76.4	Confident	91.2	Very high	34 Å²	34	31.7 Å²	31.7	28%	0.281	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	31.2	-170.9	0	0	0	0	0	113.7	G68 K185	G68-A70 VanDerWaalsContact C-N 3.28Å; G68-A70 PolarHBondContact O-N 2.94Å; A70-K185 VanDerWaalsContact O-CG 3.24Å; A70-K185 WeakPolarHBondContact O-CG 3.39Å
71	G	89.2	Confident	91.2	Very high	11 Å²	11	30.5 Å²	30.5	11%	0.113	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	116.8	-171.3	179.7	0	0	0	0	0	114.6	G68 Y184	G68-G71 PolarHBondContact N-O 3.45Å; G71-Y184 WeakPolarHBondContact CA-O 3.33Å
72	L	93.6	Very high	91.1	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.9	166.3	-53.9	176.2	0	0	0	108.3	M65 T66 F67 S91 G183 Y184 L203	M65-L72 HydrophobicContact CB-CD2 4.33Å; T66-L72 VanDerWaalsContact C-CD2 3.42Å; F67-L72 HydrophobicContact CB-CD2 4.47Å; F67-L72 HydrophobicContact CD1-CD2 3.79Å; F67-L72 HydrophobicContact CD1-CG 3.94Å; F67-L72 HydrophobicContact CD2-CD2 4Å; F67-L72 HydrophobicContact CE1-CD1 4.4Å; F67-L72 HydrophobicContact CE1-CD2 3.92Å; F67-L72 HydrophobicContact CE1-CG 3.67Å; F67-L72 HydrophobicContact CE2-CD2 4.12Å; F67-L72 HydrophobicContact CE2-CG 4.5Å; F67-L72 HydrophobicContact CG-CD2 3.82Å; F67-L72 HydrophobicContact CG-CG 4.47Å; F67-L72 HydrophobicContact CZ-CD1 4.28Å; F67-L72 HydrophobicContact CZ-CD2 4.07Å; F67-L72 HydrophobicContact CZ-CG 3.97Å; L72-S91 WeakPolarHBondContact CD1-OG 3.38Å; L72-G183 CarbonylContact O-C 3.53Å; L72-G183 WeakPolarHBondContact O-CA 3.35Å; L72-Y184 PolarHBondContact N-O 2.98Å; L72-Y184 VanDerWaalsContact N-O 3.11Å; L72-Y184 PolarHBondContact O-N 2.95Å; L72-L203 HydrophobicContact CD2-CD2 4.36Å
73	R	93.3	Very high	91.2	Very high	88 Å²	88	31.1 Å²	31.1	33%	0.332	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	134.3	178.7	-177.2	175.8	60.1	-161.2	-5.6	110.1	A174 N177 N182 T572	R73-A174 HydrophobicContact CG-CB 4.08Å; R73-N177 WeakPolarHBondContact CD-OD1 3.42Å; R73-N177 PolarHBondContact NH1-OD1 3.03Å; R73-N182 WeakPolarHBondContact CA-O 3.25Å; R73-N182 WeakPolarHBondContact CG-O 3.41Å; R73-T572 PolarHBondContact NH2-OG1 2.91Å
74	S	93.5	Very high	91.6	Very high	29 Å²	29	28.2 Å²	28.2	20%	0.203	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	170.7	173.8	-168.1	0	0	0	0	109.3	C81 N182	S74-C81 WeakPolarHBondContact CB-O 3.41Å; S74-C81 PolarHBondContact OG-O 3.16Å; S74-N182 PolarHBondContact N-O 2.88Å; S74-N182 PolarHBondContact O-N 3.05Å; S74-N182 VanDerWaalsContact O-O 3.07Å
75	A	94.1	Very high	92	Very high	28 Å²	28	24.5 Å²	24.5	23%	0.231	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	148	166.8	0	0	0	0	0	110.2	Y82 I83 E180 D181	A75-Y82 HydrophobicContact CB-CD1 3.82Å; A75-Y82 HydrophobicContact CB-CE1 3.77Å; A75-Y82 WeakPolarHBondContact O-CA 3.46Å; A75-Y82 WeakPolarHBondContact O-CB 3.29Å; A75-Y82 VanDerWaalsContact O-CD1 3.25Å; A75-Y82 WeakPolarHBondContact O-CD1 3.27Å; A75-I83 PolarHBondContact O-N 3.32Å; A75-E180 CarbonylContact C-O 3.35Å; A75-E180 WeakPolarHBondContact CA-O 3.33Å; A75-D181 PolarHBondContact N-OD1 2.82Å
76	M	95.8	Very high	92.4	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.025	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-75	132.4	167.3	-70.5	-179.5	-77.4	0	0	109.6	I83 R118 Q120 C125 K179 E180 N182	M76-I83 VanDerWaalsContact CA-O 3.27Å; M76-I83 WeakPolarHBondContact CA-O 3.46Å; M76-I83 HydrophobicContact CG-CG2 4.46Å; M76-R118 HydrophobicContact CE-CG 4.45Å; M76-Q120 HydrophobicContact CB-CB 4.37Å; M76-Q120 HydrophobicContact CE-CB 3.78Å; M76-Q120 PolarHBondContact O-NE2 3.37Å; M76-Q120 PolarHBondContact O-OE1 3Å; M76-Q120 VanDerWaalsContact O-OE1 3.1Å; M76-Q120 HydrophobicContact SD-CB 4.22Å; M76-C125 HydrophobicContact CB-CB 4.38Å; M76-C125 HydrophobicContact CG-CB 4.31Å; M76-C125 HydrophobicContact SD-CB 3.89Å; M76-K179 WeakPolarHBondContact CE-O 3.27Å; M76-E180 PolarHBondContact N-O 3.11Å; M76-N182 HydrophobicContact CE-CB 4.17Å; M76-N182 HydrophobicContact CG-CB 3.58Å; M76-N182 HydrophobicContact SD-CB 3.72Å
77	G	95.9	Very high	92.8	Very high	3 Å²	3	18.8 Å²	18.8	3%	0.031	11%	0.111	C	C	.	.	S	Bend	trans	164.8	176.4	-175.7	0	0	0	0	0	113.4	Y82 I83 N84	G77-Y82 WeakPolarHBondContact O-CB 3.49Å; G77-I83 PolarHBondContact N-O 3.17Å; G77-N84 WeakPolarHBondContact O-CB 3.43Å; G77-N84 PolarHBondContact O-ND2 3.19Å
78	A	97.1	Very high	93.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-77	140.8	177.7	0	0	0	0	0	112.6	W32 T41 Q44 I45 R60	W32-A78 HydrophobicContact CZ2-CB 3.94Å; T41-A78 HydrophobicContact CG2-CB 4.22Å; T41-A78 WeakPolarHBondContact O-CB 3.42Å; Q44-A78 HydrophobicContact CB-CB 3.77Å; Q44-A78 VanDerWaalsContact OE1-N 3.14Å; I45-A78 HydrophobicContact CD1-CB 3.8Å; I45-A78 HydrophobicContact CG1-CB 3.79Å; R60-A78 WeakPolarHBondContact CD-O 3.49Å
79	G	97.2	Very high	94	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	120.5	162.3	179.2	0	0	0	0	0	114	W32 R60 C81 Y82 N84	W32-G79 VanDerWaalsContact CZ3-CA 3.44Å; W32-G79 VanDerWaalsContact CZ3-N 3.32Å; W32-G79 WeakPolarHBondContact CZ3-O 3.27Å; R60-G79 CarbonylContact O-C 3.36Å; R60-G79 VanDerWaalsContact O-CA 3.29Å; R60-G79 WeakPolarHBondContact O-CA 3.31Å; G79-C81 VanDerWaalsContact C-N 3.28Å; G79-C81 PolarHBondContact O-N 3.45Å; G79-Y82 PolarHBondContact O-N 3.23Å; G79-N84 PolarHBondContact O-ND2 3.07Å
80	F	96.8	Very high	95.1	Very high	9 Å²	9	13.6 Å²	13.6	4%	0.039	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.1	179.2	-60.9	-59.7	0	0	0	113.4	Q31 W32 W35 R60 L61 C63 R64 L86 T87	Q31-F80 HydrophobicContact CB-CZ 4.45Å; W32-F80 HydrophobicContact CB-CE2 4.27Å; W32-F80 HydrophobicContact CB-CZ 4.12Å; W32-F80 AromaticContact CE3-CD1 3.94Å; W32-F80 HydrophobicContact CE3-CD1 3.94Å; W32-F80 HydrophobicContact CE3-CD2 4.45Å; W32-F80 AromaticContact CE3-CE1 3.72Å; W32-F80 HydrophobicContact CE3-CE1 3.72Å; W32-F80 HydrophobicContact CE3-CE2 4.27Å; W32-F80 HydrophobicContact CE3-CG 4.3Å; W32-F80 AromaticContact CE3-CZ 3.9Å; W32-F80 HydrophobicContact CE3-CZ 3.9Å; W32-F80 HydrophobicContact CZ3-CD1 4.09Å; W32-F80 HydrophobicContact CZ3-CE1 4.19Å; W35-F80 HydrophobicContact CE3-CE1 4.18Å; W35-F80 AromaticContact CE3-CZ 3.95Å; W35-F80 HydrophobicContact CE3-CZ 3.95Å; W35-F80 HydrophobicContact CZ3-CE1 4.41Å; W35-F80 HydrophobicContact CZ3-CZ 4.04Å; R60-F80 PolarHBondContact O-N 3.05Å; L61-F80 HydrophobicContact CB-CD2 4.5Å; L61-F80 HydrophobicContact CD2-CD2 4.09Å; L61-F80 HydrophobicContact CD2-CE2 4.17Å; L61-F80 WeakPolarHBondContact O-CD2 3.41Å; C63-F80 WeakPolarHBondContact O-CB 3.38Å; R64-F80 HydrophobicContact CG-CB 4.43Å; F80-L86 HydrophobicContact CE1-CD2 3.79Å; F80-T87 HydrophobicContact CD1-CG2 4.48Å
81	C	95.1	Very high	96.1	Very high	15 Å²	15	12.4 Å²	12.4	10%	0.101	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.1	175.8	-39.4	0	0	0	0	113.4	D59 R60 C63 S74 G79	D59-C81 PolarHBondContact O-SG 2.83Å; R60-C81 VanDerWaalsContact C-SG 3.58Å; R60-C81 PolarHBondContact O-N 2.65Å; R60-C81 VanDerWaalsContact O-N 3.14Å; R60-C81 PolarHBondContact O-SG 2.75Å; C63-C81 WeakPolarHBondContact CA-SG 3.33Å; C63-C81 HydrophobicContact CB-CB 4.39Å; C63-C81 WeakPolarHBondContact CB-SG 3.44Å; C63-C81 PolarHBondContact N-SG 3.21Å; C63-C81 VanDerWaalsContact N-SG 3.39Å; C63-C81 PolarHBondContact O-SG 3.06Å; C63-C81 WeakPolarHBondContact SG-CB 3.29Å; C63-C81 CovalentContact SG-SG 2.03Å; C63-C81 PolarHBondContact SG-SG 3.37Å; S74-C81 WeakPolarHBondContact CB-O 3.41Å; S74-C81 PolarHBondContact OG-O 3.16Å; G79-C81 VanDerWaalsContact C-N 3.28Å; G79-C81 PolarHBondContact O-N 3.45Å
82	Y	96	Very high	96.6	Very high	54 Å²	54	11.9 Å²	11.9	21%	0.212	6%	0.062	C	C	.	.	S	Bend	trans	-114.9	156	-176.6	-73.4	-106.5	0	0	0	111.1	R60 M65 A75 G77 G79 N84 T87	R60-Y82 HydrophobicContact CB-CE2 4.34Å; R60-Y82 HydrophobicContact CG-CD2 4.18Å; R60-Y82 HydrophobicContact CG-CE2 3.58Å; M65-Y82 VanDerWaalsContact CE-O 3.24Å; M65-Y82 WeakPolarHBondContact CE-O 3.23Å; A75-Y82 HydrophobicContact CB-CD1 3.82Å; A75-Y82 HydrophobicContact CB-CE1 3.77Å; A75-Y82 WeakPolarHBondContact O-CA 3.46Å; A75-Y82 WeakPolarHBondContact O-CB 3.29Å; A75-Y82 VanDerWaalsContact O-CD1 3.25Å; A75-Y82 WeakPolarHBondContact O-CD1 3.27Å; G77-Y82 WeakPolarHBondContact O-CB 3.49Å; G79-Y82 PolarHBondContact O-N 3.23Å; Y82-N84 PolarHBondContact O-ND2 3.11Å; Y82-T87 WeakPolarHBondContact O-CG2 3.43Å; Y82-T87 PolarHBondContact O-OG1 3.32Å
83	I	96.6	Very high	96.8	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-79.5	123.4	170.1	-66.5	-75.1	0	0	0	108.6	M65 A75 M76 G77 V88 L130 N182	M65-I83 HydrophobicContact CE-CD1 3.76Å; M65-I83 HydrophobicContact CE-CG1 4.37Å; M65-I83 HydrophobicContact SD-CD1 3.49Å; M65-I83 WeakPolarHBondContact SD-CD1 3.31Å; M65-I83 HydrophobicContact SD-CG1 3.71Å; A75-I83 PolarHBondContact O-N 3.32Å; M76-I83 VanDerWaalsContact CA-O 3.27Å; M76-I83 WeakPolarHBondContact CA-O 3.46Å; M76-I83 HydrophobicContact CG-CG2 4.46Å; G77-I83 PolarHBondContact N-O 3.17Å; I83-V88 HydrophobicContact CG2-CG2 4.34Å; I83-L130 HydrophobicContact CG2-CD1 3.51Å; I83-N182 HydrophobicContact CB-CB 4.42Å; I83-N182 HydrophobicContact CG2-CB 3.94Å
84	N	97.7	Very high	97.1	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-159.6	179.7	176.9	54.1	67.4	0	0	0	110.2	W32 G77 G79 Y82 L86 T87 V88	W32-N84 WeakPolarHBondContact CH2-ND2 3.49Å; G77-N84 WeakPolarHBondContact O-CB 3.43Å; G77-N84 PolarHBondContact O-ND2 3.19Å; G79-N84 PolarHBondContact O-ND2 3.07Å; Y82-N84 PolarHBondContact O-ND2 3.11Å; N84-L86 VanDerWaalsContact C-N 3.34Å; N84-L86 PolarHBondContact O-N 3.2Å; N84-L86 PolarHBondContact OD1-N 2.99Å; N84-L86 VanDerWaalsContact OD1-N 3.09Å; N84-T87 PolarHBondContact N-OG1 3Å; N84-T87 PolarHBondContact O-N 3.24Å; N84-T87 PolarHBondContact O-OG1 3.19Å; N84-T87 PolarHBondContact OD1-N 3.41Å; N84-T87 PolarHBondContact OD1-OG1 2.86Å; N84-V88 WeakPolarHBondContact O-CB 3.27Å; N84-V88 WeakPolarHBondContact O-CG2 3.35Å; N84-V88 PolarHBondContact O-N 2.9Å
85	D	98.2	Very high	97.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-51.6	-50.5	178.8	-63.8	-12.6	0	0	0	112.5	N38 I89 R129 L133 W217	N38-D85 WeakPolarHBondContact CB-OD2 3.23Å; N38-D85 PolarHBondContact ND2-OD2 3.19Å; D85-I89 WeakPolarHBondContact O-CD1 3.27Å; D85-I89 VanDerWaalsContact O-CG1 3.26Å; D85-I89 WeakPolarHBondContact O-CG1 3.31Å; D85-I89 PolarHBondContact O-N 2.74Å; D85-R129 WeakPolarHBondContact OD1-CD 3.31Å; D85-R129 IonicContact OD1-CZ 2.84Å; D85-R129 IonicContact OD1-NE 2.86Å; D85-R129 PolarHBondContact OD1-NE 3.14Å; D85-R129 IonicContact OD2-CZ 3.28Å; D85-R129 IonicContact OD2-NE 2.65Å; D85-R129 PolarHBondContact OD2-NE 2.89Å; D85-R129 IonicContact OD2-NH2 3.05Å; D85-R129 PolarHBondContact OD2-NH2 2.95Å; D85-L133 HydrophobicContact CB-CD1 3.46Å; D85-L133 VanDerWaalsContact CB-CD1 3.46Å; D85-L133 WeakPolarHBondContact OD1-CD1 3.16Å; D85-W217 HydrophobicContact CB-CH2 3.69Å; D85-W217 HydrophobicContact CB-CZ3 3.57Å
86	L	98.2	Very high	97.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-66.7	-45.4	-176.4	176.4	58.8	0	0	0	111.8	W32 W35 D36 F80 N84 V88 I89 Q90 P212 W217	W32-L86 HydrophobicContact CD2-CD2 4.49Å; W32-L86 HydrophobicContact CE3-CD2 3.89Å; W32-L86 HydrophobicContact CH2-CB 4.5Å; W32-L86 HydrophobicContact CH2-CD2 4.41Å; W32-L86 HydrophobicContact CZ3-CB 4.49Å; W32-L86 HydrophobicContact CZ3-CD2 3.84Å; W35-L86 HydrophobicContact CB-CD1 3.92Å; W35-L86 HydrophobicContact CB-CD2 3.88Å; D36-L86 HydrophobicContact CB-CD2 4.06Å; F80-L86 HydrophobicContact CE1-CD2 3.79Å; N84-L86 VanDerWaalsContact C-N 3.34Å; N84-L86 PolarHBondContact O-N 3.2Å; N84-L86 PolarHBondContact OD1-N 2.99Å; N84-L86 VanDerWaalsContact OD1-N 3.09Å; L86-V88 VanDerWaalsContact C-N 3.34Å; L86-V88 PolarHBondContact O-N 2.85Å; L86-I89 PolarHBondContact O-N 3.43Å; L86-Q90 HydrophobicContact CD1-CG 4.19Å; L86-Q90 WeakPolarHBondContact O-CG 3.16Å; L86-Q90 PolarHBondContact O-N 3.26Å; L86-P212 HydrophobicContact CD1-CG 3.42Å; L86-P212 VanDerWaalsContact CD1-CG 3.42Å; L86-W217 HydrophobicContact CB-CH2 4.27Å; L86-W217 HydrophobicContact CB-CZ2 4.11Å; L86-W217 HydrophobicContact CD1-CZ2 4.1Å
87	T	97.8	Very high	97.6	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.025	4%	0.038	C	C	.	.	H	α-helix	trans	-69.4	-32.3	-178.3	57.1	0	0	0	0	112.2	M65 F80 Y82 N84 S91	M65-T87 HydrophobicContact CE-CG2 4.13Å; F80-T87 HydrophobicContact CD1-CG2 4.48Å; Y82-T87 WeakPolarHBondContact O-CG2 3.43Å; Y82-T87 PolarHBondContact O-OG1 3.32Å; N84-T87 PolarHBondContact N-OG1 3Å; N84-T87 PolarHBondContact O-N 3.24Å; N84-T87 PolarHBondContact O-OG1 3.19Å; N84-T87 PolarHBondContact OD1-N 3.41Å; N84-T87 PolarHBondContact OD1-OG1 2.86Å; T87-S91 VanDerWaalsContact O-CB 3.26Å; T87-S91 WeakPolarHBondContact O-CB 3.42Å; T87-S91 PolarHBondContact O-N 2.82Å; T87-S91 PolarHBondContact O-OG 3.46Å
88	V	98.2	Very high	97.7	Very high	2 Å²	2	9 Å²	9	1%	0.012	4%	0.041	C	C	.	.	H	α-helix	trans	-70.2	-39.2	172.8	168.2	0	0	0	0	111.9	I83 N84 L86 S91 T92 L130 T134 Y184	I83-V88 HydrophobicContact CG2-CG2 4.34Å; N84-V88 WeakPolarHBondContact O-CB 3.27Å; N84-V88 WeakPolarHBondContact O-CG2 3.35Å; N84-V88 PolarHBondContact O-N 2.9Å; L86-V88 VanDerWaalsContact C-N 3.34Å; L86-V88 PolarHBondContact O-N 2.85Å; V88-S91 PolarHBondContact O-N 3.3Å; V88-T92 WeakPolarHBondContact O-CB 3.34Å; V88-T92 PolarHBondContact O-N 3.39Å; V88-T92 PolarHBondContact O-OG1 3.42Å; V88-L130 HydrophobicContact CB-CD2 4.19Å; V88-L130 HydrophobicContact CG1-CB 4.35Å; V88-L130 HydrophobicContact CG2-CB 4.24Å; V88-L130 HydrophobicContact CG2-CD1 4.19Å; V88-L130 HydrophobicContact CG2-CD2 3.88Å; V88-L130 HydrophobicContact CG2-CG 4.31Å; V88-T134 VanDerWaalsContact CG1-OG1 3.23Å; V88-T134 WeakPolarHBondContact CG1-OG1 3.37Å; V88-Y184 HydrophobicContact CG1-CD2 4.29Å; V88-Y184 HydrophobicContact CG1-CE2 4.1Å; V88-Y184 HydrophobicContact CG2-CD2 4.38Å
89	I	98.6	Very high	97.8	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-58.2	-54.1	171.6	-73.9	165.2	0	0	0	109.9	D85 L86 S91 T92 Q93 L133 V137 P212 W217	D85-I89 WeakPolarHBondContact O-CD1 3.27Å; D85-I89 VanDerWaalsContact O-CG1 3.26Å; D85-I89 WeakPolarHBondContact O-CG1 3.31Å; D85-I89 PolarHBondContact O-N 2.74Å; L86-I89 PolarHBondContact O-N 3.43Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 3.16Å; I89-T92 PolarHBondContact O-N 2.86Å; I89-T92 VanDerWaalsContact O-N 3.14Å; I89-Q93 HydrophobicContact CG2-CG 4.4Å; I89-Q93 VanDerWaalsContact O-CG 3.31Å; I89-Q93 WeakPolarHBondContact O-CG 3.38Å; I89-Q93 PolarHBondContact O-N 2.64Å; I89-L133 HydrophobicContact CD1-CD1 4.47Å; I89-L133 HydrophobicContact CD1-CD2 4.25Å; I89-L133 HydrophobicContact CG1-CB 4.28Å; I89-V137 HydrophobicContact CB-CG2 4.24Å; I89-V137 HydrophobicContact CG1-CG2 4.02Å; I89-V137 HydrophobicContact CG2-CG2 3.97Å; I89-P212 HydrophobicContact CG2-CB 4.17Å; I89-W217 HydrophobicContact CD1-CD2 3.45Å; I89-W217 VanDerWaalsContact CD1-CD2 3.45Å; I89-W217 VanDerWaalsContact CD1-CE2 3.49Å; I89-W217 HydrophobicContact CD1-CE3 3.73Å; I89-W217 HydrophobicContact CD1-CG 3.93Å; I89-W217 HydrophobicContact CD1-CH2 4.1Å; I89-W217 HydrophobicContact CD1-CZ2 3.83Å; I89-W217 HydrophobicContact CD1-CZ3 4.05Å
90	Q	98.4	Very high	97.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.8	-42.7	179.5	-71.7	176	-9.9	0	0	112	L86 T92 Q93 G94 I206 V210	L86-Q90 HydrophobicContact CD1-CG 4.19Å; L86-Q90 WeakPolarHBondContact O-CG 3.16Å; L86-Q90 PolarHBondContact O-N 3.26Å; Q90-T92 VanDerWaalsContact C-N 3.31Å; Q90-T92 PolarHBondContact O-N 3.18Å; Q90-Q93 PolarHBondContact O-N 2.7Å; Q90-G94 PolarHBondContact O-N 3.39Å; Q90-I206 HydrophobicContact CB-CG2 4.38Å; Q90-V210 WeakPolarHBondContact CG-O 3.34Å; Q90-V210 PolarHBondContact NE2-O 3.32Å
91	S	98.1	Very high	97.8	Very high	8 Å²	8	19.2 Å²	19.2	6%	0.056	8%	0.083	C	C	.	.	H	α-helix	trans	-59.6	-43.5	176.8	-60.7	0	0	0	0	111.7	L72 T87 V88 I89 G94 M95	L72-S91 WeakPolarHBondContact CD1-OG 3.38Å; T87-S91 VanDerWaalsContact O-CB 3.26Å; T87-S91 WeakPolarHBondContact O-CB 3.42Å; T87-S91 PolarHBondContact O-N 2.82Å; T87-S91 PolarHBondContact O-OG 3.46Å; V88-S91 PolarHBondContact O-N 3.3Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 3.16Å; S91-G94 PolarHBondContact O-N 3.41Å; S91-M95 WeakPolarHBondContact O-CB 3.25Å; S91-M95 PolarHBondContact O-N 3.49Å
92	T	98.6	Very high	97.9	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-71.5	-33	179.3	-52.7	0	0	0	0	112.1	V88 I89 Q90 M95 Y96 T134 V137 L138 Y184	V88-T92 WeakPolarHBondContact O-CB 3.34Å; V88-T92 PolarHBondContact O-N 3.39Å; V88-T92 PolarHBondContact O-OG1 3.42Å; I89-T92 PolarHBondContact O-N 2.86Å; I89-T92 VanDerWaalsContact O-N 3.14Å; Q90-T92 VanDerWaalsContact C-N 3.31Å; Q90-T92 PolarHBondContact O-N 3.18Å; T92-M95 WeakPolarHBondContact O-CB 3.29Å; T92-M95 PolarHBondContact O-N 2.92Å; T92-Y96 WeakPolarHBondContact O-CB 3.35Å; T92-Y96 PolarHBondContact O-N 3.33Å; T92-T134 HydrophobicContact CG2-CG2 3.96Å; T92-V137 HydrophobicContact CG2-CB 3.87Å; T92-V137 HydrophobicContact CG2-CG1 3.78Å; T92-L138 HydrophobicContact CG2-CD1 4.3Å; T92-L138 HydrophobicContact CG2-CD2 4.08Å; T92-L138 HydrophobicContact CG2-CG 3.82Å; T92-Y184 PolarHBondContact OG1-OH 2.95Å; T92-Y184 VanDerWaalsContact OG1-OH 3.04Å
93	Q	98.5	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-45.5	173.3	-69.6	-178.8	170.8	0	0	111.8	I89 Q90 M95 Y96 K97 V137 C209 E211 P212 W213 S216	I89-Q93 HydrophobicContact CG2-CG 4.4Å; I89-Q93 VanDerWaalsContact O-CG 3.31Å; I89-Q93 WeakPolarHBondContact O-CG 3.38Å; I89-Q93 PolarHBondContact O-N 2.64Å; Q90-Q93 PolarHBondContact O-N 2.7Å; Q93-M95 VanDerWaalsContact C-N 3.34Å; Q93-Y96 PolarHBondContact O-N 3.39Å; Q93-K97 PolarHBondContact O-N 3.14Å; Q93-V137 HydrophobicContact CG-CG1 3.82Å; Q93-C209 HydrophobicContact CB-CB 4.19Å; Q93-C209 PolarHBondContact NE2-O 3.1Å; Q93-E211 PolarHBondContact NE2-O 2.92Å; Q93-P212 VanDerWaalsContact OE1-CA 3.32Å; Q93-W213 HydrophobicContact CB-CD2 4.39Å; Q93-W213 HydrophobicContact CB-CE3 4.29Å; Q93-W213 HydrophobicContact CB-CH2 3.72Å; Q93-W213 HydrophobicContact CB-CZ2 3.79Å; Q93-W213 HydrophobicContact CB-CZ3 3.98Å; Q93-W213 HydrophobicContact CG-CD2 3.81Å; Q93-W213 HydrophobicContact CG-CE3 3.63Å; Q93-W213 HydrophobicContact CG-CH2 4Å; Q93-W213 HydrophobicContact CG-CZ2 4.14Å; Q93-W213 HydrophobicContact CG-CZ3 3.75Å; Q93-W213 WeakPolarHBondContact O-CH2 3.07Å; Q93-S216 PolarHBondContact OE1-OG 3.14Å
94	G	97.9	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-42	174.4	0	0	0	0	0	112	Q90 S91 K97 Y98 C205	Q90-G94 PolarHBondContact O-N 3.39Å; S91-G94 PolarHBondContact O-N 3.41Å; G94-K97 PolarHBondContact O-N 3.06Å; G94-Y98 PolarHBondContact O-N 3.25Å; G94-C205 WeakPolarHBondContact O-CB 3.49Å
95	M	98	Very high	98	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-57.1	-50.2	172.8	-175.2	63.1	71.4	0	0	111.9	S91 T92 Q93 K97 Y98 L99 F111 Y184 V186 I202	S91-M95 WeakPolarHBondContact O-CB 3.25Å; S91-M95 PolarHBondContact O-N 3.49Å; T92-M95 WeakPolarHBondContact O-CB 3.29Å; T92-M95 PolarHBondContact O-N 2.92Å; Q93-M95 VanDerWaalsContact C-N 3.34Å; M95-K97 VanDerWaalsContact C-N 3.31Å; M95-K97 PolarHBondContact O-N 3.23Å; M95-Y98 PolarHBondContact O-N 2.89Å; M95-L99 HydrophobicContact CG-CD1 3.68Å; M95-L99 HydrophobicContact CG-CG 4.26Å; M95-L99 WeakPolarHBondContact O-CB 3.32Å; M95-L99 WeakPolarHBondContact O-CG 3.36Å; M95-L99 PolarHBondContact O-N 3.42Å; M95-L99 HydrophobicContact SD-CD1 3.99Å; M95-L99 HydrophobicContact SD-CG 4.11Å; M95-F111 HydrophobicContact CG-CE2 4.03Å; M95-F111 HydrophobicContact CG-CZ 4.37Å; M95-Y184 HydrophobicContact CE-CE1 4.34Å; M95-V186 HydrophobicContact CE-CB 4.07Å; M95-V186 HydrophobicContact CE-CG1 3.37Å; M95-V186 HydrophobicContact CE-CG2 3.5Å; M95-V186 HydrophobicContact SD-CG1 4.32Å; M95-I202 HydrophobicContact CE-CD1 3.56Å; M95-I202 HydrophobicContact CE-CG1 4.19Å; M95-I202 HydrophobicContact CE-CG2 4.14Å; M95-I202 HydrophobicContact SD-CD1 3.74Å; M95-I202 HydrophobicContact SD-CG1 4.05Å
96	Y	98.4	Very high	97.9	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.027	15%	0.147	C	C	.	.	H	α-helix	trans	-54.5	-48.8	177.5	172.2	-81.1	0	0	0	111	T92 Q93 Y98 L99 E100 F106 K107 L138 K141 V143 W213	T92-Y96 WeakPolarHBondContact O-CB 3.35Å; T92-Y96 PolarHBondContact O-N 3.33Å; Q93-Y96 PolarHBondContact O-N 3.39Å; Y96-Y98 VanDerWaalsContact C-N 3.31Å; Y96-Y98 PolarHBondContact O-N 3.43Å; Y96-L99 PolarHBondContact O-N 2.96Å; Y96-E100 HydrophobicContact CE1-CB 4.23Å; Y96-E100 HydrophobicContact CE1-CG 4.44Å; Y96-E100 WeakPolarHBondContact CE1-OE1 3.13Å; Y96-E100 WeakPolarHBondContact CE1-OE2 3.31Å; Y96-E100 VanDerWaalsContact CZ-OE1 3.32Å; Y96-E100 VanDerWaalsContact O-CB 3.29Å; Y96-E100 WeakPolarHBondContact O-CB 3.3Å; Y96-E100 PolarHBondContact O-N 3.48Å; Y96-E100 PolarHBondContact OH-OE1 3.31Å; Y96-F106 HydrophobicContact CD2-CD1 4.5Å; Y96-F106 AromaticContact CD2-CE1 3.56Å; Y96-F106 HydrophobicContact CD2-CE1 3.56Å; Y96-F106 HydrophobicContact CD2-CZ 4.23Å; Y96-F106 HydrophobicContact CE2-CD1 4.42Å; Y96-F106 AromaticContact CE2-CE1 3.87Å; Y96-F106 HydrophobicContact CE2-CE1 3.87Å; Y96-F106 HydrophobicContact CG-CE1 4.21Å; Y96-K107 WeakPolarHBondContact OH-CE 3.48Å; Y96-L138 HydrophobicContact CD2-CD2 4.03Å; Y96-K141 HydrophobicContact CD2-CB 3.88Å; Y96-K141 HydrophobicContact CD2-CG 4.09Å; Y96-K141 HydrophobicContact CE1-CG 4.44Å; Y96-K141 HydrophobicContact CE2-CB 3.28Å; Y96-K141 HydrophobicContact CE2-CG 3.8Å; Y96-V143 HydrophobicContact CD2-CG2 3.94Å; Y96-V143 HydrophobicContact CE2-CG2 3.55Å; Y96-W213 AromaticContact CD1-CH2 3.58Å; Y96-W213 HydrophobicContact CD1-CH2 3.58Å; Y96-W213 AromaticContact CD1-CZ3 3.91Å; Y96-W213 HydrophobicContact CD1-CZ3 3.91Å; Y96-W213 HydrophobicContact CE1-CH2 4.41Å; Y96-W213 HydrophobicContact CG-CH2 4.05Å; Y96-W213 HydrophobicContact CG-CZ3 4.06Å
97	K	98.3	Very high	97.8	Very high	66 Å²	66	33 Å²	33	29%	0.287	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-39.6	-178.2	-78.5	-64.9	-176.5	-175.1	0	112.6	Q93 G94 M95 E100 R101 C205 W213	Q93-K97 PolarHBondContact O-N 3.14Å; G94-K97 PolarHBondContact O-N 3.06Å; M95-K97 VanDerWaalsContact C-N 3.31Å; M95-K97 PolarHBondContact O-N 3.23Å; K97-E100 IonicContact NZ-OE2 2.77Å; K97-R101 WeakPolarHBondContact O-CG 3.39Å; K97-R101 PolarHBondContact O-N 3.07Å; K97-C205 HydrophobicContact CB-CB 4.11Å; K97-W213 HydrophobicContact CD-CZ2 4.34Å; K97-W213 HydrophobicContact CG-CH2 4.03Å; K97-W213 HydrophobicContact CG-CZ2 3.9Å
98	Y	98.2	Very high	97.8	Very high	21 Å²	21	40.1 Å²	40.1	8%	0.082	20%	0.2	C	C	.	.	H	α-helix	trans	-70	-45.7	177.2	-173.8	-121.7	0	0	0	111.8	G94 M95 Y96 E100 R101 C102 W188 H198 E201 I202	G94-Y98 PolarHBondContact O-N 3.25Å; M95-Y98 PolarHBondContact O-N 2.89Å; Y96-Y98 VanDerWaalsContact C-N 3.31Å; Y96-Y98 PolarHBondContact O-N 3.43Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; Y98-E100 PolarHBondContact O-N 3.09Å; Y98-R101 WeakPolarHBondContact O-CB 3.43Å; Y98-R101 PolarHBondContact O-N 2.85Å; Y98-R101 VanDerWaalsContact O-N 3.09Å; Y98-C102 VanDerWaalsContact CZ-SG 3.6Å; Y98-C102 PolarHBondContact O-N 2.88Å; Y98-C102 PolarHBondContact O-SG 3.16Å; Y98-C102 VanDerWaalsContact O-SG 3.41Å; Y98-W188 HydrophobicContact CD1-CH2 4Å; Y98-W188 HydrophobicContact CD1-CZ3 4.29Å; Y98-W188 AromaticContact CE1-CH2 3.73Å; Y98-W188 HydrophobicContact CE1-CH2 3.73Å; Y98-W188 HydrophobicContact CE1-CZ3 4.2Å; Y98-H198 HydrophobicContact CE1-CB 3.97Å; Y98-H198 AromaticContact CE1-ND1 3.45Å; Y98-H198 WeakPolarHBondContact CE1-ND1 3.02Å; Y98-H198 AromaticContact CZ-ND1 3.59Å; Y98-H198 PolarHBondContact OH-ND1 3.27Å; Y98-E201 HydrophobicContact CD2-CB 3.59Å; Y98-E201 HydrophobicContact CE1-CB 4.3Å; Y98-E201 HydrophobicContact CE2-CB 3.22Å; Y98-E201 HydrophobicContact CE2-CG 3.79Å; Y98-E201 HydrophobicContact CG-CB 4.27Å; Y98-I202 HydrophobicContact CD1-CD1 4.22Å; Y98-I202 HydrophobicContact CD1-CG1 3.55Å; Y98-I202 HydrophobicContact CE1-CG1 4.26Å; Y98-I202 HydrophobicContact CG-CG1 4.1Å
99	L	98.2	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-39.2	177.8	-71	172.4	0	0	0	112.9	M95 Y96 R101 C102 F103 F106 F111 V167 A168 W188	M95-L99 HydrophobicContact CG-CD1 3.68Å; M95-L99 HydrophobicContact CG-CG 4.26Å; M95-L99 WeakPolarHBondContact O-CB 3.32Å; M95-L99 WeakPolarHBondContact O-CG 3.36Å; M95-L99 PolarHBondContact O-N 3.42Å; M95-L99 HydrophobicContact SD-CD1 3.99Å; M95-L99 HydrophobicContact SD-CG 4.11Å; Y96-L99 PolarHBondContact O-N 2.96Å; L99-R101 PolarHBondContact O-N 2.84Å; L99-C102 PolarHBondContact O-N 3.34Å; L99-C102 VanDerWaalsContact O-N 3.12Å; L99-F103 HydrophobicContact CD2-CD2 3.83Å; L99-F103 HydrophobicContact CD2-CE2 3.74Å; L99-F103 PolarHBondContact O-N 3.47Å; L99-F106 HydrophobicContact CB-CD1 3.94Å; L99-F106 HydrophobicContact CB-CD2 4.49Å; L99-F106 HydrophobicContact CB-CE1 3.74Å; L99-F106 HydrophobicContact CB-CE2 4.32Å; L99-F106 HydrophobicContact CB-CG 4.31Å; L99-F106 HydrophobicContact CB-CZ 3.95Å; L99-F106 HydrophobicContact CD1-CE1 4.32Å; L99-F106 HydrophobicContact CD1-CE2 3.9Å; L99-F106 HydrophobicContact CD1-CZ 3.69Å; L99-F106 HydrophobicContact CG-CZ 4.5Å; L99-F111 HydrophobicContact CD1-CD2 3.72Å; L99-F111 HydrophobicContact CD1-CE2 3.69Å; L99-V167 HydrophobicContact CD1-CG2 4.05Å; L99-V167 HydrophobicContact CD2-CG2 3.97Å; L99-V167 HydrophobicContact CG-CG2 4.47Å; L99-A168 HydrophobicContact CD1-CB 4.15Å; L99-A168 HydrophobicContact CD2-CB 4.03Å; L99-W188 HydrophobicContact CD2-CE3 4.25Å; L99-W188 HydrophobicContact CD2-CH2 3.46Å; L99-W188 VanDerWaalsContact CD2-CH2 3.46Å; L99-W188 HydrophobicContact CD2-CZ2 4.38Å; L99-W188 HydrophobicContact CD2-CZ3 3.37Å; L99-W188 HydrophobicContact CG-CZ3 4.44Å
100	E	97.4	Very high	97.7	Very high	84 Å²	84	42.3 Å²	42.3	39%	0.393	21%	0.208	S	C	.	.	H	α-helix	trans	-60.7	-32.2	174.9	-177.8	175.4	-113.4	0	0	112.1	Y96 K97 Y98 F106	Y96-E100 HydrophobicContact CE1-CB 4.23Å; Y96-E100 HydrophobicContact CE1-CG 4.44Å; Y96-E100 WeakPolarHBondContact CE1-OE1 3.13Å; Y96-E100 WeakPolarHBondContact CE1-OE2 3.31Å; Y96-E100 VanDerWaalsContact CZ-OE1 3.32Å; Y96-E100 VanDerWaalsContact O-CB 3.29Å; Y96-E100 WeakPolarHBondContact O-CB 3.3Å; Y96-E100 PolarHBondContact O-N 3.48Å; Y96-E100 PolarHBondContact OH-OE1 3.31Å; K97-E100 IonicContact NZ-OE2 2.77Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; Y98-E100 PolarHBondContact O-N 3.09Å; E100-F106 HydrophobicContact CB-CD1 4.5Å
101	R	96.9	Very high	97.7	Very high	139 Å²	139	42.3 Å²	42.3	53%	0.525	21%	0.208	S	C	.	.	H	α-helix	trans	-76.2	-34	174.2	-65.7	169	-173.1	172.7	5.6	112.2	K97 Y98 L99 C205 E208	K97-R101 WeakPolarHBondContact O-CG 3.39Å; K97-R101 PolarHBondContact O-N 3.07Å; Y98-R101 WeakPolarHBondContact O-CB 3.43Å; Y98-R101 PolarHBondContact O-N 2.85Å; Y98-R101 VanDerWaalsContact O-N 3.09Å; L99-R101 PolarHBondContact O-N 2.84Å; R101-C205 PolarHBondContact NH1-SG 3.24Å; R101-C205 VanDerWaalsContact NH1-SG 3.38Å; R101-E208 IonicContact CZ-OE2 3.69Å; R101-E208 IonicContact NH1-OE2 3.84Å; R101-E208 IonicContact NH2-OE2 2.81Å; R101-E208 PolarHBondContact NH2-OE2 3.17Å
102	C	97.7	Very high	97.8	Very high	55 Å²	55	42 Å²	42	37%	0.372	21%	0.206	S	C	.	.	H	α-helix	trans	-83.7	-31.8	-176.4	-67.9	0	0	0	0	113.8	Y98 L99 W188	Y98-C102 VanDerWaalsContact CZ-SG 3.6Å; Y98-C102 PolarHBondContact O-N 2.88Å; Y98-C102 PolarHBondContact O-SG 3.16Å; Y98-C102 VanDerWaalsContact O-SG 3.41Å; L99-C102 PolarHBondContact O-N 3.34Å; L99-C102 VanDerWaalsContact O-N 3.12Å; C102-W188 HydrophobicContact CB-CH2 4.34Å; C102-W188 HydrophobicContact CB-CZ2 4.23Å
103	F	97.9	Very high	97.8	Very high	24 Å²	24	41.9 Å²	41.9	11%	0.105	21%	0.205	C	C	.	.			trans	-131.8	108.9	-169.1	-61.7	-72.8	0	0	0	111.7	L99 D105 F106 V167 W188 E189	L99-F103 HydrophobicContact CD2-CD2 3.83Å; L99-F103 HydrophobicContact CD2-CE2 3.74Å; L99-F103 PolarHBondContact O-N 3.47Å; F103-D105 PolarHBondContact O-N 3.15Å; F103-F106 HydrophobicContact CB-CB 4.06Å; F103-F106 WeakPolarHBondContact O-CB 3.3Å; F103-F106 PolarHBondContact O-N 3.45Å; F103-V167 HydrophobicContact CB-CG1 4.07Å; F103-V167 HydrophobicContact CD1-CG1 4.27Å; F103-V167 HydrophobicContact CD2-CB 3.81Å; F103-V167 HydrophobicContact CD2-CG1 4.07Å; F103-V167 HydrophobicContact CD2-CG2 4.4Å; F103-V167 HydrophobicContact CE2-CB 3.97Å; F103-V167 HydrophobicContact CG-CB 4.14Å; F103-V167 HydrophobicContact CG-CG1 3.88Å; F103-V167 HydrophobicContact CZ-CB 4.47Å; F103-W188 HydrophobicContact CD2-CZ2 4.41Å; F103-W188 AromaticContact CE2-CE2 3.8Å; F103-W188 AromaticContact CE2-CH2 3.69Å; F103-W188 HydrophobicContact CE2-CH2 3.69Å; F103-W188 AromaticContact CE2-CZ2 3.27Å; F103-W188 HydrophobicContact CE2-CZ2 3.27Å; F103-W188 AromaticContact CZ-CE2 3.73Å; F103-W188 HydrophobicContact CZ-CH2 4.43Å; F103-W188 AromaticContact CZ-CZ2 3.57Å; F103-W188 HydrophobicContact CZ-CZ2 3.57Å; F103-W188 AromaticContact CZ-NE1 3.77Å; F103-E189 HydrophobicContact CE1-CG 4.47Å; F103-E189 WeakPolarHBondContact CE1-OE1 3.5Å; F103-E189 HydrophobicContact CZ-CG 4.19Å; F103-E189 WeakPolarHBondContact CZ-OE1 2.78Å
104	S	96.8	Very high	97.8	Very high	131 Å²	131	41.9 Å²	41.9	92%	0.916	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.1	174.7	56.1	0	0	0	0	113
105	D	96.9	Very high	97.8	Very high	50 Å²	50	42.6 Å²	42.6	27%	0.267	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	14.4	179.6	68.2	-17.3	0	0	0	113.5	F103 K107 Q108 R109	F103-D105 PolarHBondContact O-N 3.15Å; D105-K107 VanDerWaalsContact C-N 3.28Å; D105-K107 PolarHBondContact O-N 3.05Å; D105-Q108 WeakPolarHBondContact O-CA 3.4Å; D105-Q108 WeakPolarHBondContact O-CB 3.44Å; D105-Q108 PolarHBondContact O-N 2.98Å; D105-R109 PolarHBondContact O-N 3.05Å; D105-R109 WeakPolarHBondContact OD2-CD 3.38Å
106	F	97	Very high	97.8	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-50.9	-45.7	-179.5	178	-154.8	0	0	0	112.8	Y96 L99 E100 F103 Q108 R109 G110 F111 L138 V143 V167	Y96-F106 HydrophobicContact CD2-CD1 4.5Å; Y96-F106 AromaticContact CD2-CE1 3.56Å; Y96-F106 HydrophobicContact CD2-CE1 3.56Å; Y96-F106 HydrophobicContact CD2-CZ 4.23Å; Y96-F106 HydrophobicContact CE2-CD1 4.42Å; Y96-F106 AromaticContact CE2-CE1 3.87Å; Y96-F106 HydrophobicContact CE2-CE1 3.87Å; Y96-F106 HydrophobicContact CG-CE1 4.21Å; L99-F106 HydrophobicContact CB-CD1 3.94Å; L99-F106 HydrophobicContact CB-CD2 4.49Å; L99-F106 HydrophobicContact CB-CE1 3.74Å; L99-F106 HydrophobicContact CB-CE2 4.32Å; L99-F106 HydrophobicContact CB-CG 4.31Å; L99-F106 HydrophobicContact CB-CZ 3.95Å; L99-F106 HydrophobicContact CD1-CE1 4.32Å; L99-F106 HydrophobicContact CD1-CE2 3.9Å; L99-F106 HydrophobicContact CD1-CZ 3.69Å; L99-F106 HydrophobicContact CG-CZ 4.5Å; E100-F106 HydrophobicContact CB-CD1 4.5Å; F103-F106 HydrophobicContact CB-CB 4.06Å; F103-F106 WeakPolarHBondContact O-CB 3.3Å; F103-F106 PolarHBondContact O-N 3.45Å; F106-Q108 PolarHBondContact O-N 2.82Å; F106-R109 PolarHBondContact O-N 2.88Å; F106-G110 PolarHBondContact O-N 2.9Å; F106-F111 HydrophobicContact CE2-CB 4.39Å; F106-F111 HydrophobicContact CE2-CD2 4.43Å; F106-L138 HydrophobicContact CZ-CD2 4.04Å; F106-V143 HydrophobicContact CD1-CG2 4.25Å; F106-V143 HydrophobicContact CD2-CG1 4.06Å; F106-V143 HydrophobicContact CE1-CG1 4.44Å; F106-V143 HydrophobicContact CE1-CG2 3.86Å; F106-V143 HydrophobicContact CE2-CG1 3.51Å; F106-V143 HydrophobicContact CE2-CG2 4.38Å; F106-V143 HydrophobicContact CZ-CB 4.46Å; F106-V143 HydrophobicContact CZ-CG1 3.73Å; F106-V143 HydrophobicContact CZ-CG2 3.94Å; F106-V167 HydrophobicContact CD2-CB 4.33Å; F106-V167 HydrophobicContact CD2-CG1 4.15Å; F106-V167 HydrophobicContact CD2-CG2 3.25Å; F106-V167 HydrophobicContact CE2-CG2 3.44Å; F106-V167 VanDerWaalsContact CE2-CG2 3.44Å; F106-V167 HydrophobicContact CG-CG2 4.26Å
107	K	96.2	Very high	97.6	Very high	95 Å²	95	43.2 Å²	43.2	41%	0.413	21%	0.213	S	C	.	.	H	α-helix	trans	-69.8	-7.7	179.1	-64.9	-166	177.8	-157	0	114.4	Y96 D105 K141 V143 P144	Y96-K107 WeakPolarHBondContact OH-CE 3.48Å; D105-K107 VanDerWaalsContact C-N 3.28Å; D105-K107 PolarHBondContact O-N 3.05Å; K107-K141 VanDerWaalsContact CE-O 3.23Å; K107-K141 WeakPolarHBondContact CE-O 3.47Å; K107-K141 PolarHBondContact NZ-O 2.81Å; K107-V143 HydrophobicContact CG-CG2 4.23Å; K107-P144 WeakPolarHBondContact O-CD 3.14Å; K107-P144 VanDerWaalsContact O-CG 3.27Å; K107-P144 WeakPolarHBondContact O-CG 3.44Å
108	Q	97.1	Very high	97.4	Very high	154 Å²	154	40.1 Å²	40.1	72%	0.72	20%	0.199	S	C	*	.	H	α-helix	trans	-100.2	-46	175.8	-57.5	176	28.7	0	0	110.9	D105 F106	D105-Q108 WeakPolarHBondContact O-CA 3.4Å; D105-Q108 WeakPolarHBondContact O-CB 3.44Å; D105-Q108 PolarHBondContact O-N 2.98Å; F106-Q108 PolarHBondContact O-N 2.82Å
109	R	97.8	Very high	97.1	Very high	49 Å²	49	39.6 Å²	39.6	19%	0.185	20%	0.2	C	C	.	.	H	α-helix	trans	-75.6	-37	-177.1	-76.3	179.2	57.8	176.2	-1.5	113.4	D105 F106 Y146 K165 A166 V167 E189	D105-R109 PolarHBondContact O-N 3.05Å; D105-R109 WeakPolarHBondContact OD2-CD 3.38Å; F106-R109 PolarHBondContact O-N 2.88Å; R109-Y146 WeakPolarHBondContact O-CE2 3.37Å; R109-K165 WeakPolarHBondContact CB-O 3.41Å; R109-K165 WeakPolarHBondContact CG-O 3.38Å; R109-K165 PolarHBondContact NE-O 2.93Å; R109-K165 PolarHBondContact NH2-O 3.21Å; R109-A166 PolarHBondContact NH2-O 2.83Å; R109-V167 HydrophobicContact CB-CG1 3.78Å; R109-E189 IonicContact CZ-OE2 2.79Å; R109-E189 VanDerWaalsContact CZ-OE2 3.27Å; R109-E189 IonicContact NH1-OE2 3.45Å; R109-E189 PolarHBondContact NH1-OE2 3Å; R109-E189 VanDerWaalsContact NH2-CB 3.28Å; R109-E189 IonicContact NH2-OE2 2.7Å; R109-E189 PolarHBondContact NH2-OE2 2.89Å
110	G	97.5	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.			trans	75.9	-169.1	177.6	0	0	0	0	0	115.1	F106 P144 V167	F106-G110 PolarHBondContact O-N 2.9Å; G110-P144 CarbonylContact C-O 3.59Å; G110-P144 WeakPolarHBondContact CA-O 3.23Å; G110-V167 PolarHBondContact O-N 2.97Å
111	F	98.8	Very high	96.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141	-169.7	-165.8	-86.1	0	0	0	111.6	M95 L99 F106 V113 L138 P144 V145 Y146 A168 V170	M95-F111 HydrophobicContact CG-CE2 4.03Å; M95-F111 HydrophobicContact CG-CZ 4.37Å; L99-F111 HydrophobicContact CD1-CD2 3.72Å; L99-F111 HydrophobicContact CD1-CE2 3.69Å; F106-F111 HydrophobicContact CE2-CB 4.39Å; F106-F111 HydrophobicContact CE2-CD2 4.43Å; F111-V113 HydrophobicContact CD1-CG2 3.83Å; F111-V113 HydrophobicContact CE1-CG2 4.1Å; F111-L138 HydrophobicContact CB-CD1 3.7Å; F111-L138 HydrophobicContact CD1-CD1 3.55Å; F111-L138 HydrophobicContact CD2-CD1 4.3Å; F111-L138 HydrophobicContact CE1-CD1 4.22Å; F111-L138 HydrophobicContact CG-CD1 3.59Å; F111-P144 PolarHBondContact N-O 3.35Å; F111-V145 WeakPolarHBondContact O-CA 3.35Å; F111-Y146 PolarHBondContact O-N 3.2Å; F111-A168 WeakPolarHBondContact CA-O 3.49Å; F111-A168 HydrophobicContact CD2-CB 3.79Å; F111-A168 HydrophobicContact CE2-CB 3.42Å; F111-A168 VanDerWaalsContact CE2-CB 3.42Å; F111-A168 HydrophobicContact CZ-CB 4.33Å; F111-V170 HydrophobicContact CE1-CB 4Å; F111-V170 HydrophobicContact CE1-CG1 3.88Å; F111-V170 HydrophobicContact CZ-CB 4.18Å; F111-V170 HydrophobicContact CZ-CG1 4.49Å
112	V	98.9	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.6	179.8	179.9	0	0	0	0	111.2	Y146 F148 V157 A160 V161 L164 A166 A168 G169 V170	V112-Y146 WeakPolarHBondContact CA-O 3.47Å; V112-Y146 HydrophobicContact CG2-CD2 4.23Å; V112-F148 HydrophobicContact CG1-CD2 4.46Å; V112-F148 HydrophobicContact CG1-CE2 3.82Å; V112-V157 HydrophobicContact CG1-CG1 4.22Å; V112-A160 HydrophobicContact CG1-CB 3.98Å; V112-A160 HydrophobicContact CG2-CB 4.27Å; V112-V161 HydrophobicContact CB-CG2 3.88Å; V112-V161 HydrophobicContact CG2-CG2 3.8Å; V112-L164 HydrophobicContact CG2-CD1 4.36Å; V112-A166 HydrophobicContact CG2-CB 3.7Å; V112-A168 PolarHBondContact N-O 3.07Å; V112-G169 CarbonylContact O-C 3.55Å; V112-G169 WeakPolarHBondContact O-CA 3.26Å; V112-V170 PolarHBondContact O-N 2.99Å
113	V	98.9	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119	176.2	-174.2	0	0	0	0	110.1	F111 A131 T134 V145 Y146 L147 F148 V170	F111-V113 HydrophobicContact CD1-CG2 3.83Å; F111-V113 HydrophobicContact CE1-CG2 4.1Å; V113-A131 HydrophobicContact CG1-CB 3.77Å; V113-T134 HydrophobicContact CG1-CG2 4.28Å; V113-T134 HydrophobicContact CG2-CG2 3.9Å; V113-V145 HydrophobicContact CG2-CG1 3.8Å; V113-Y146 PolarHBondContact N-O 2.96Å; V113-L147 HydrophobicContact CB-CD1 3.75Å; V113-L147 HydrophobicContact CG1-CD1 3.69Å; V113-F148 WeakPolarHBondContact O-CD2 3.46Å; V113-F148 PolarHBondContact O-N 3Å; V113-F148 VanDerWaalsContact O-N 3.1Å; V113-V170 HydrophobicContact CB-CG1 4.41Å; V113-V170 HydrophobicContact CG1-CG1 3.97Å; V113-V170 HydrophobicContact CG2-CG1 4.23Å
114	G	98.7	Very high	94.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	165.5	171.7	0	0	0	0	0	111.9	V170 I172	G114-V170 PolarHBondContact N-O 3.49Å; G114-I172 PolarHBondContact O-N 2.89Å
115	Y	98.6	Very high	94.8	Very high	14 Å²	14	33.6 Å²	33.6	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	156.3	-178.5	58.6	-86.6	0	0	0	112.4	Q128 A131 L147 F148 S149 R150 Y151 V152 M171 I172	Y115-Q128 HydrophobicContact CD2-CB 4.03Å; Y115-Q128 HydrophobicContact CE2-CB 3.75Å; Y115-Q128 HydrophobicContact CE2-CG 3.88Å; Y115-A131 HydrophobicContact CD1-CB 3.48Å; Y115-A131 VanDerWaalsContact CD1-CB 3.48Å; Y115-A131 HydrophobicContact CE1-CB 4.26Å; Y115-A131 HydrophobicContact CG-CB 3.9Å; Y115-L147 HydrophobicContact CD1-CD1 4.46Å; Y115-L147 HydrophobicContact CE1-CD1 4.32Å; Y115-F148 VanDerWaalsContact CE1-O 3.29Å; Y115-F148 WeakPolarHBondContact CE1-O 3.41Å; Y115-S149 PolarHBondContact OH-O 2.54Å; Y115-R150 WeakPolarHBondContact OH-CA 3.36Å; Y115-Y151 VanDerWaalsContact O-CA 3.31Å; Y115-Y151 WeakPolarHBondContact O-CA 3.44Å; Y115-V152 PolarHBondContact O-N 3.04Å; Y115-M171 VanDerWaalsContact C-CE 3.42Å; Y115-M171 PolarHBondContact N-SD 2.93Å; Y115-M171 VanDerWaalsContact N-SD 3.44Å; Y115-I172 WeakPolarHBondContact CA-O 3.37Å
116	D	96.8	Very high	94.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.011	18%	0.178	C	C	.	.			trans	-97.2	-167.4	173.3	74.9	-3.1	0	0	0	112.8	R118 S127 M171 I172 T173 V268 D334	D116-R118 WeakPolarHBondContact OD1-CG 3.28Å; D116-R118 PolarHBondContact OD1-N 2.93Å; D116-R118 IonicContact OD1-NE 3.25Å; D116-R118 PolarHBondContact OD1-NE 3.08Å; D116-R118 IonicContact OD2-CZ 3.76Å; D116-R118 IonicContact OD2-NE 3.45Å; D116-R118 PolarHBondContact OD2-NE 3.39Å; D116-R118 IonicContact OD2-NH2 2.75Å; D116-R118 PolarHBondContact OD2-NH2 3.01Å; D116-S127 WeakPolarHBondContact O-CB 3.44Å; D116-S127 VanDerWaalsContact OD1-CB 3.3Å; D116-S127 WeakPolarHBondContact OD1-CB 3.44Å; D116-S127 PolarHBondContact OD1-OG 2.95Å; D116-M171 HydrophobicContact CB-CE 4.13Å; D116-I172 PolarHBondContact N-O 3.03Å; D116-T173 VanDerWaalsContact OD2-CB 3.28Å; D116-T173 WeakPolarHBondContact OD2-CB 3.31Å; D116-T173 PolarHBondContact OD2-OG1 3.34Å; D116-V268 HydrophobicContact CB-CG1 4.11Å; D116-D334 HydrophobicContact CB-CB 4.36Å
117	T	94.8	Very high	94.8	Very high	19 Å²	19	32.7 Å²	32.7	12%	0.117	18%	0.177	C	C	.	.	S	Bend	trans	-84.8	-15.4	-169.7	61.8	0	0	0	0	114.2	Y151 H266 V268 P294 P296	T117-Y151 HydrophobicContact CG2-CD1 4.21Å; T117-Y151 HydrophobicContact CG2-CG 4.07Å; T117-H266 PolarHBondContact OG1-O 3.43Å; T117-V268 HydrophobicContact CG2-CG1 3.81Å; T117-P294 HydrophobicContact CG2-CB 3.64Å; T117-P294 HydrophobicContact CG2-CG 4.11Å; T117-P296 WeakPolarHBondContact O-CA 3.29Å; T117-P296 WeakPolarHBondContact O-CB 3.42Å
118	R	94.5	Very high	94.8	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.179	C	C	.	.			trans	-71.1	153	-162.7	76.9	-173	68.5	-133.8	-10.3	113.7	M76 D116 S126 S127 S175 N177 R178 D181 F298	M76-R118 HydrophobicContact CE-CG 4.45Å; D116-R118 WeakPolarHBondContact OD1-CG 3.28Å; D116-R118 PolarHBondContact OD1-N 2.93Å; D116-R118 IonicContact OD1-NE 3.25Å; D116-R118 PolarHBondContact OD1-NE 3.08Å; D116-R118 IonicContact OD2-CZ 3.76Å; D116-R118 IonicContact OD2-NE 3.45Å; D116-R118 PolarHBondContact OD2-NE 3.39Å; D116-R118 IonicContact OD2-NH2 2.75Å; D116-R118 PolarHBondContact OD2-NH2 3.01Å; R118-S126 WeakPolarHBondContact O-CA 3.22Å; R118-S127 VanDerWaalsContact CG-OG 3.23Å; R118-S127 WeakPolarHBondContact CG-OG 3.29Å; R118-S127 PolarHBondContact O-N 3.33Å; R118-S175 PolarHBondContact NH2-O 3.06Å; R118-N177 PolarHBondContact NH1-O 2.94Å; R118-R178 PolarHBondContact NH1-O 2.91Å; R118-D181 WeakPolarHBondContact CD-O 3.48Å; R118-D181 PolarHBondContact NH1-O 3.18Å; R118-F298 HydrophobicContact CB-CE2 4.43Å; R118-F298 HydrophobicContact CB-CZ 4.01Å
119	G	91.9	Very high	94.8	Very high	10 Å²	10	29 Å²	29	10%	0.103	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	168.8	173.4	0	0	0	0	0	112.5	C125	G119-C125 CarbonylContact C-O 3.48Å; G119-C125 WeakPolarHBondContact CA-O 3.47Å
120	Q	88.5	Confident	94.8	Very high	38 Å²	38	26.7 Å²	26.7	18%	0.178	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	125.6	-174.9	-169.1	-166.4	53.6	0	0	110.5	M76 T122 S123 S124 C125	M76-Q120 HydrophobicContact CB-CB 4.37Å; M76-Q120 HydrophobicContact CE-CB 3.78Å; M76-Q120 PolarHBondContact O-NE2 3.37Å; M76-Q120 PolarHBondContact O-OE1 3Å; M76-Q120 VanDerWaalsContact O-OE1 3.1Å; M76-Q120 HydrophobicContact SD-CB 4.22Å; Q120-T122 WeakPolarHBondContact CG-OG1 3.13Å; Q120-T122 PolarHBondContact OE1-OG1 2.61Å; Q120-S123 VanDerWaalsContact OE1-CB 3.25Å; Q120-S123 PolarHBondContact OE1-OG 2.83Å; Q120-S124 WeakPolarHBondContact O-CA 3.44Å; Q120-S124 PolarHBondContact O-N 2.73Å; Q120-C125 PolarHBondContact N-O 3.42Å; Q120-C125 PolarHBondContact O-N 2.91Å
121	V	87.3	Confident	94.9	Very high	128 Å²	128	26.7 Å²	26.7	78%	0.776	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.5	-178.7	179.7	0	0	0	0	112.1	S123 S124	V121-S123 PolarHBondContact O-N 3.19Å; V121-S124 PolarHBondContact O-N 2.61Å
122	T	86.8	Confident	94.9	Very high	91 Å²	91	29.6 Å²	29.6	56%	0.558	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-32.3	-172.7	53.8	0	0	0	0	114	Q44 Q120	Q44-T122 PolarHBondContact NE2-O 2.97Å; Q120-T122 WeakPolarHBondContact CG-OG1 3.13Å; Q120-T122 PolarHBondContact OE1-OG1 2.61Å
123	S	88.3	Confident	94.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-7.8	174	60.7	0	0	0	0	112.9	N38 Q120 V121 C125	N38-S123 PolarHBondContact ND2-O 3.28Å; Q120-S123 VanDerWaalsContact OE1-CB 3.25Å; Q120-S123 PolarHBondContact OE1-OG 2.83Å; V121-S123 PolarHBondContact O-N 3.19Å; S123-C125 PolarHBondContact O-N 3.16Å; S123-C125 VanDerWaalsContact O-N 3.12Å; S123-C125 VanDerWaalsContact OG-CB 3.3Å; S123-C125 WeakPolarHBondContact OG-CB 3.35Å; S123-C125 PolarHBondContact OG-N 2.97Å
124	S	91.2	Very high	94.9	Very high	50 Å²	50	29.6 Å²	29.6	35%	0.35	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	18.5	-166.3	63.7	0	0	0	0	114.5	N38 Q120 V121 R129	N38-S124 PolarHBondContact ND2-OG 2.7Å; N38-S124 VanDerWaalsContact ND2-OG 3.13Å; N38-S124 PolarHBondContact OD1-OG 3.41Å; Q120-S124 WeakPolarHBondContact O-CA 3.44Å; Q120-S124 PolarHBondContact O-N 2.73Å; V121-S124 PolarHBondContact O-N 2.61Å; S124-R129 WeakPolarHBondContact O-CD 3.24Å
125	C	93.8	Very high	94.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.5	176.4	-66.3	0	0	0	0	110	M76 G119 Q120 S123	M76-C125 HydrophobicContact CB-CB 4.38Å; M76-C125 HydrophobicContact CG-CB 4.31Å; M76-C125 HydrophobicContact SD-CB 3.89Å; G119-C125 CarbonylContact C-O 3.48Å; G119-C125 WeakPolarHBondContact CA-O 3.47Å; Q120-C125 PolarHBondContact N-O 3.42Å; Q120-C125 PolarHBondContact O-N 2.91Å; S123-C125 PolarHBondContact O-N 3.16Å; S123-C125 VanDerWaalsContact O-N 3.12Å; S123-C125 VanDerWaalsContact OG-CB 3.3Å; S123-C125 WeakPolarHBondContact OG-CB 3.35Å; S123-C125 PolarHBondContact OG-N 2.97Å
126	S	96.1	Very high	94.9	Very high	34 Å²	34	29 Å²	29	24%	0.238	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.1	170.8	69.3	0	0	0	0	109.8	R118 Q128 R129 L130	R118-S126 WeakPolarHBondContact O-CA 3.22Å; S126-Q128 PolarHBondContact O-N 3.22Å; S126-R129 PolarHBondContact O-N 3.42Å; S126-R129 WeakPolarHBondContact OG-CB 3.39Å; S126-R129 PolarHBondContact OG-N 2.89Å; S126-L130 WeakPolarHBondContact O-CG 3.37Å; S126-L130 PolarHBondContact O-N 2.81Å
127	S	97.4	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-36.3	178.5	-64	0	0	0	0	111.9	D116 R118 L130 A131 N182	D116-S127 WeakPolarHBondContact O-CB 3.44Å; D116-S127 VanDerWaalsContact OD1-CB 3.3Å; D116-S127 WeakPolarHBondContact OD1-CB 3.44Å; D116-S127 PolarHBondContact OD1-OG 2.95Å; R118-S127 VanDerWaalsContact CG-OG 3.23Å; R118-S127 WeakPolarHBondContact CG-OG 3.29Å; R118-S127 PolarHBondContact O-N 3.33Å; S127-L130 PolarHBondContact O-N 3.11Å; S127-A131 VanDerWaalsContact O-CB 3.25Å; S127-A131 WeakPolarHBondContact O-CB 3.44Å; S127-A131 PolarHBondContact O-N 3.41Å; S127-N182 PolarHBondContact OG-ND2 3.38Å; S127-N182 PolarHBondContact OG-OD1 2.83Å
128	Q	97.2	Very high	95.1	Very high	100 Å²	100	28 Å²	28	47%	0.467	15%	0.153	S	C	.	.	H	α-helix	trans	-61.9	-46.2	173.7	-172.8	-177.8	38	0	0	112.4	Y115 S126 A131 K132	Y115-Q128 HydrophobicContact CD2-CB 4.03Å; Y115-Q128 HydrophobicContact CE2-CB 3.75Å; Y115-Q128 HydrophobicContact CE2-CG 3.88Å; S126-Q128 PolarHBondContact O-N 3.22Å; Q128-A131 PolarHBondContact O-N 3.43Å; Q128-K132 WeakPolarHBondContact O-CG 3.24Å; Q128-K132 PolarHBondContact O-N 3.26Å
129	R	97.2	Very high	95.3	Very high	72 Å²	72	28.2 Å²	28.2	27%	0.272	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-46.5	178.6	177	171.9	177.3	71.7	3.1	111.4	D85 S124 S126 A131 K132 L133 D219	D85-R129 WeakPolarHBondContact OD1-CD 3.31Å; D85-R129 IonicContact OD1-CZ 2.84Å; D85-R129 IonicContact OD1-NE 2.86Å; D85-R129 PolarHBondContact OD1-NE 3.14Å; D85-R129 IonicContact OD2-CZ 3.28Å; D85-R129 IonicContact OD2-NE 2.65Å; D85-R129 PolarHBondContact OD2-NE 2.89Å; D85-R129 IonicContact OD2-NH2 3.05Å; D85-R129 PolarHBondContact OD2-NH2 2.95Å; S124-R129 WeakPolarHBondContact O-CD 3.24Å; S126-R129 PolarHBondContact O-N 3.42Å; S126-R129 WeakPolarHBondContact OG-CB 3.39Å; S126-R129 PolarHBondContact OG-N 2.89Å; R129-A131 VanDerWaalsContact C-N 3.33Å; R129-A131 PolarHBondContact O-N 2.98Å; R129-K132 WeakPolarHBondContact O-CB 3.39Å; R129-K132 PolarHBondContact O-N 2.87Å; R129-L133 HydrophobicContact CG-CD1 4.37Å; R129-L133 PolarHBondContact O-N 2.61Å; R129-D219 IonicContact NH1-OD2 3.18Å
130	L	98.4	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-36.1	179.6	-61.9	178.9	0	0	0	111.9	I83 V88 S126 S127 L133 T134 I172	I83-L130 HydrophobicContact CG2-CD1 3.51Å; V88-L130 HydrophobicContact CB-CD2 4.19Å; V88-L130 HydrophobicContact CG1-CB 4.35Å; V88-L130 HydrophobicContact CG2-CB 4.24Å; V88-L130 HydrophobicContact CG2-CD1 4.19Å; V88-L130 HydrophobicContact CG2-CD2 3.88Å; V88-L130 HydrophobicContact CG2-CG 4.31Å; S126-L130 WeakPolarHBondContact O-CG 3.37Å; S126-L130 PolarHBondContact O-N 2.81Å; S127-L130 PolarHBondContact O-N 3.11Å; L130-L133 PolarHBondContact O-N 2.88Å; L130-T134 WeakPolarHBondContact O-CB 3.38Å; L130-T134 PolarHBondContact O-N 2.96Å; L130-T134 PolarHBondContact O-OG1 3.25Å; L130-I172 HydrophobicContact CB-CG2 3.97Å; L130-I172 HydrophobicContact CD1-CG2 4.19Å
131	A	98.6	Very high	96	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-41.4	172.3	0	0	0	0	0	112.3	V113 Y115 S127 Q128 R129 T134 A135 L147 I172	V113-A131 HydrophobicContact CG1-CB 3.77Å; Y115-A131 HydrophobicContact CD1-CB 3.48Å; Y115-A131 VanDerWaalsContact CD1-CB 3.48Å; Y115-A131 HydrophobicContact CE1-CB 4.26Å; Y115-A131 HydrophobicContact CG-CB 3.9Å; S127-A131 VanDerWaalsContact O-CB 3.25Å; S127-A131 WeakPolarHBondContact O-CB 3.44Å; S127-A131 PolarHBondContact O-N 3.41Å; Q128-A131 PolarHBondContact O-N 3.43Å; R129-A131 VanDerWaalsContact C-N 3.33Å; R129-A131 PolarHBondContact O-N 2.98Å; A131-T134 WeakPolarHBondContact O-CB 3.49Å; A131-T134 PolarHBondContact O-N 3.42Å; A131-A135 PolarHBondContact O-N 3.42Å; A131-L147 HydrophobicContact CB-CD1 4.08Å; A131-I172 HydrophobicContact CB-CG1 4.13Å
132	K	98.3	Very high	96.5	Very high	61 Å²	61	29.4 Å²	29.4	27%	0.265	16%	0.157	S	C	.	.	H	α-helix	trans	-60.8	-44.6	173.5	-76.7	-169	171.2	-157.9	0	111.9	Q128 R129 A135 A136 V222 D223	Q128-K132 WeakPolarHBondContact O-CG 3.24Å; Q128-K132 PolarHBondContact O-N 3.26Å; R129-K132 WeakPolarHBondContact O-CB 3.39Å; R129-K132 PolarHBondContact O-N 2.87Å; K132-A135 PolarHBondContact O-N 3.04Å; K132-A136 WeakPolarHBondContact O-CB 3.3Å; K132-A136 PolarHBondContact O-N 3.28Å; K132-V222 HydrophobicContact CB-CG2 4.17Å; K132-V222 HydrophobicContact CG-CG1 4.38Å; K132-V222 HydrophobicContact CG-CG2 4.37Å; K132-V222 WeakPolarHBondContact O-CG2 3.42Å; K132-D223 IonicContact NZ-OD2 3.93Å
133	L	98.7	Very high	97.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-65.9	-40.2	177.5	-71	173.4	0	0	0	112.4	D85 I89 R129 L130 A135 A136 V137 D219	D85-L133 HydrophobicContact CB-CD1 3.46Å; D85-L133 VanDerWaalsContact CB-CD1 3.46Å; D85-L133 WeakPolarHBondContact OD1-CD1 3.16Å; I89-L133 HydrophobicContact CD1-CD1 4.47Å; I89-L133 HydrophobicContact CD1-CD2 4.25Å; I89-L133 HydrophobicContact CG1-CB 4.28Å; R129-L133 HydrophobicContact CG-CD1 4.37Å; R129-L133 PolarHBondContact O-N 2.61Å; L130-L133 PolarHBondContact O-N 2.88Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A135 PolarHBondContact O-N 3.18Å; L133-A136 PolarHBondContact O-N 3.28Å; L133-V137 WeakPolarHBondContact O-CG2 3.44Å; L133-V137 PolarHBondContact O-N 2.94Å; L133-D219 HydrophobicContact CD2-CB 4.25Å
134	T	98.8	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.6	-50.1	171.8	-59.2	0	0	0	0	110.6	V88 T92 V113 L130 A131 L138 V170 Y184	V88-T134 VanDerWaalsContact CG1-OG1 3.23Å; V88-T134 WeakPolarHBondContact CG1-OG1 3.37Å; T92-T134 HydrophobicContact CG2-CG2 3.96Å; V113-T134 HydrophobicContact CG1-CG2 4.28Å; V113-T134 HydrophobicContact CG2-CG2 3.9Å; L130-T134 WeakPolarHBondContact O-CB 3.38Å; L130-T134 PolarHBondContact O-N 2.96Å; L130-T134 PolarHBondContact O-OG1 3.25Å; A131-T134 WeakPolarHBondContact O-CB 3.49Å; A131-T134 PolarHBondContact O-N 3.42Å; T134-L138 PolarHBondContact O-N 3.34Å; T134-V170 HydrophobicContact CG2-CG1 3.79Å; T134-Y184 HydrophobicContact CG2-CE2 4.29Å
135	A	98.8	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.7	-43.8	178.3	0	0	0	0	0	111.7	A131 K132 L133 V137 L138 L139 V145 L147 V222	A131-A135 PolarHBondContact O-N 3.42Å; K132-A135 PolarHBondContact O-N 3.04Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A135 PolarHBondContact O-N 3.18Å; A135-V137 PolarHBondContact O-N 3.18Å; A135-L138 PolarHBondContact O-N 3.42Å; A135-L139 HydrophobicContact CB-CD1 4.42Å; A135-L139 WeakPolarHBondContact O-CB 3.38Å; A135-L139 WeakPolarHBondContact O-CG 3.16Å; A135-L139 PolarHBondContact O-N 3.01Å; A135-V145 HydrophobicContact CB-CG1 3.79Å; A135-L147 HydrophobicContact CB-CD2 4.09Å; A135-V222 HydrophobicContact CB-CG2 3.94Å
136	A	98.5	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-43.6	-179.4	0	0	0	0	0	112.9	K132 L133 L138 L139 A140 N218	K132-A136 WeakPolarHBondContact O-CB 3.3Å; K132-A136 PolarHBondContact O-N 3.28Å; L133-A136 PolarHBondContact O-N 3.28Å; A136-L138 VanDerWaalsContact C-N 3.31Å; A136-L138 PolarHBondContact O-N 3.04Å; A136-L139 PolarHBondContact O-N 2.87Å; A136-A140 VanDerWaalsContact O-CB 3.27Å; A136-A140 WeakPolarHBondContact O-CB 3.46Å; A136-A140 PolarHBondContact O-N 3.41Å; A136-N218 WeakPolarHBondContact CB-O 3.46Å
137	V	98.7	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-43.9	176.9	171.6	0	0	0	0	111.6	I89 T92 Q93 L133 A135 W213	I89-V137 HydrophobicContact CB-CG2 4.24Å; I89-V137 HydrophobicContact CG1-CG2 4.02Å; I89-V137 HydrophobicContact CG2-CG2 3.97Å; T92-V137 HydrophobicContact CG2-CB 3.87Å; T92-V137 HydrophobicContact CG2-CG1 3.78Å; Q93-V137 HydrophobicContact CG-CG1 3.82Å; L133-V137 WeakPolarHBondContact O-CG2 3.44Å; L133-V137 PolarHBondContact O-N 2.94Å; A135-V137 PolarHBondContact O-N 3.18Å; V137-W213 HydrophobicContact CG1-CE3 4.5Å; V137-W213 HydrophobicContact CG1-CZ3 4.39Å
138	L	98.7	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-73	-42.7	-179.3	-66.7	175	0	0	0	111.9	T92 Y96 F106 F111 T134 A135 A136 A140 K141 D142 V143 V145	T92-L138 HydrophobicContact CG2-CD1 4.3Å; T92-L138 HydrophobicContact CG2-CD2 4.08Å; T92-L138 HydrophobicContact CG2-CG 3.82Å; Y96-L138 HydrophobicContact CD2-CD2 4.03Å; F106-L138 HydrophobicContact CZ-CD2 4.04Å; F111-L138 HydrophobicContact CB-CD1 3.7Å; F111-L138 HydrophobicContact CD1-CD1 3.55Å; F111-L138 HydrophobicContact CD2-CD1 4.3Å; F111-L138 HydrophobicContact CE1-CD1 4.22Å; F111-L138 HydrophobicContact CG-CD1 3.59Å; T134-L138 PolarHBondContact O-N 3.34Å; A135-L138 PolarHBondContact O-N 3.42Å; A136-L138 VanDerWaalsContact C-N 3.31Å; A136-L138 PolarHBondContact O-N 3.04Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 2.8Å; L138-K141 CarbonylContact O-C 3.54Å; L138-K141 WeakPolarHBondContact O-CA 3.4Å; L138-K141 PolarHBondContact O-N 3.39Å; L138-D142 PolarHBondContact O-N 3.22Å; L138-V143 HydrophobicContact CB-CB 4.15Å; L138-V143 HydrophobicContact CB-CG1 4.45Å; L138-V143 WeakPolarHBondContact O-CB 3.34Å; L138-V143 PolarHBondContact O-N 2.88Å; L138-V143 VanDerWaalsContact O-N 3.09Å; L138-V145 HydrophobicContact CB-CG2 3.61Å; L138-V145 HydrophobicContact CD1-CG2 4.15Å
139	L	98.6	Very high	98.3	Very high	6 Å²	6	21 Å²	21	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-37.1	176.6	-67.9	168.1	0	0	0	111.5	A135 A136 K141 D142 V145 L221 V222 L227 K228	A135-L139 HydrophobicContact CB-CD1 4.42Å; A135-L139 WeakPolarHBondContact O-CB 3.38Å; A135-L139 WeakPolarHBondContact O-CG 3.16Å; A135-L139 PolarHBondContact O-N 3.01Å; A136-L139 PolarHBondContact O-N 2.87Å; L139-K141 PolarHBondContact O-N 3.14Å; L139-K141 VanDerWaalsContact O-N 3.11Å; L139-D142 PolarHBondContact O-N 2.8Å; L139-V145 HydrophobicContact CD2-CB 4.11Å; L139-V145 HydrophobicContact CD2-CG2 3.91Å; L139-V145 HydrophobicContact CG-CB 4.3Å; L139-V145 HydrophobicContact CG-CG2 3.85Å; L139-L221 HydrophobicContact CB-CB 4.2Å; L139-L221 HydrophobicContact CB-CD1 4.41Å; L139-L221 HydrophobicContact CD1-CB 4.26Å; L139-V222 HydrophobicContact CD1-CG2 4.42Å; L139-L227 HydrophobicContact CD2-CB 3.66Å; L139-K228 HydrophobicContact CD1-CB 4.23Å; L139-K228 HydrophobicContact CD2-CB 4.3Å
140	A	97.9	Very high	98.3	Very high	33 Å²	33	23.3 Å²	23.3	27%	0.273	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.8	174.2	0	0	0	0	0	113.7	A136 L138 L221	A136-A140 VanDerWaalsContact O-CB 3.27Å; A136-A140 WeakPolarHBondContact O-CB 3.46Å; A136-A140 PolarHBondContact O-N 3.41Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 2.8Å; A140-L221 HydrophobicContact CB-CD1 3.75Å
141	K	97.7	Very high	98.1	Very high	65 Å²	65	25.7 Å²	25.7	28%	0.283	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	15.9	174.8	-63.8	-61.1	-173.9	-174.2	0	113.3	Y96 K107 L138 L139 V143 W213	Y96-K141 HydrophobicContact CD2-CB 3.88Å; Y96-K141 HydrophobicContact CD2-CG 4.09Å; Y96-K141 HydrophobicContact CE1-CG 4.44Å; Y96-K141 HydrophobicContact CE2-CB 3.28Å; Y96-K141 HydrophobicContact CE2-CG 3.8Å; K107-K141 VanDerWaalsContact CE-O 3.23Å; K107-K141 WeakPolarHBondContact CE-O 3.47Å; K107-K141 PolarHBondContact NZ-O 2.81Å; L138-K141 CarbonylContact O-C 3.54Å; L138-K141 WeakPolarHBondContact O-CA 3.4Å; L138-K141 PolarHBondContact O-N 3.39Å; L139-K141 PolarHBondContact O-N 3.14Å; L139-K141 VanDerWaalsContact O-N 3.11Å; K141-V143 VanDerWaalsContact C-N 3.26Å; K141-V143 HydrophobicContact CB-CG2 4.47Å; K141-V143 PolarHBondContact O-N 3.36Å; K141-W213 HydrophobicContact CD-CE3 4.21Å; K141-W213 HydrophobicContact CD-CZ3 4.31Å; K141-W213 VanDerWaalsContact CE-CZ3 3.46Å; K141-W213 HydrophobicContact CG-CE3 4.14Å; K141-W213 HydrophobicContact CG-CZ3 3.96Å
142	D	97.3	Very high	98.1	Very high	103 Å²	103	25.7 Å²	25.7	55%	0.551	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	32.6	-179.5	-47.4	-63.4	0	0	0	113.4	L138 L139 L227	L138-D142 PolarHBondContact O-N 3.22Å; L139-D142 PolarHBondContact O-N 2.8Å; D142-L227 HydrophobicContact CB-CD1 4.19Å
143	V	98.4	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.			trans	-93.8	128.1	173	178.2	0	0	0	0	109.1	Y96 F106 K107 L138 K141 V145	Y96-V143 HydrophobicContact CD2-CG2 3.94Å; Y96-V143 HydrophobicContact CE2-CG2 3.55Å; F106-V143 HydrophobicContact CD1-CG2 4.25Å; F106-V143 HydrophobicContact CD2-CG1 4.06Å; F106-V143 HydrophobicContact CE1-CG1 4.44Å; F106-V143 HydrophobicContact CE1-CG2 3.86Å; F106-V143 HydrophobicContact CE2-CG1 3.51Å; F106-V143 HydrophobicContact CE2-CG2 4.38Å; F106-V143 HydrophobicContact CZ-CB 4.46Å; F106-V143 HydrophobicContact CZ-CG1 3.73Å; F106-V143 HydrophobicContact CZ-CG2 3.94Å; K107-V143 HydrophobicContact CG-CG2 4.23Å; L138-V143 HydrophobicContact CB-CB 4.15Å; L138-V143 HydrophobicContact CB-CG1 4.45Å; L138-V143 WeakPolarHBondContact O-CB 3.34Å; L138-V143 PolarHBondContact O-N 2.88Å; L138-V143 VanDerWaalsContact O-N 3.09Å; K141-V143 VanDerWaalsContact C-N 3.26Å; K141-V143 HydrophobicContact CB-CG2 4.47Å; K141-V143 PolarHBondContact O-N 3.36Å; V143-V145 PolarHBondContact O-N 3.48Å
144	P	98.6	Very high	98.1	Very high	13 Å²	13	22.8 Å²	22.8	8%	0.084	11%	0.114	C	C	.	.			trans	-59.5	133	170.5	-22.3	32.3	0	0	0	111.7	K107 G110 F111 L227	K107-P144 WeakPolarHBondContact O-CD 3.14Å; K107-P144 VanDerWaalsContact O-CG 3.27Å; K107-P144 WeakPolarHBondContact O-CG 3.44Å; G110-P144 CarbonylContact C-O 3.59Å; G110-P144 WeakPolarHBondContact CA-O 3.23Å; F111-P144 PolarHBondContact N-O 3.35Å; P144-L227 WeakPolarHBondContact CA-O 3.41Å; P144-L227 HydrophobicContact CG-CD2 4.44Å
145	V	98.9	Very high	98	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.7	179.9	-177.4	0	0	0	0	110.7	F111 V113 A135 L138 L139 V143 L147 L227 K228 R229	F111-V145 WeakPolarHBondContact O-CA 3.35Å; V113-V145 HydrophobicContact CG2-CG1 3.8Å; A135-V145 HydrophobicContact CB-CG1 3.79Å; L138-V145 HydrophobicContact CB-CG2 3.61Å; L138-V145 HydrophobicContact CD1-CG2 4.15Å; L139-V145 HydrophobicContact CD2-CB 4.11Å; L139-V145 HydrophobicContact CD2-CG2 3.91Å; L139-V145 HydrophobicContact CG-CB 4.3Å; L139-V145 HydrophobicContact CG-CG2 3.85Å; V143-V145 PolarHBondContact O-N 3.48Å; V145-L147 HydrophobicContact CG1-CB 4.18Å; V145-L147 PolarHBondContact O-N 3.41Å; V145-L227 PolarHBondContact N-O 3.01Å; V145-K228 CarbonylContact O-C 3.54Å; V145-K228 WeakPolarHBondContact O-CA 3.31Å; V145-R229 PolarHBondContact O-N 2.91Å
146	Y	98.9	Very high	98	Very high	24 Å²	24	22.8 Å²	22.8	9%	0.094	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	86.6	169.3	-56.7	-80.2	0	0	0	109	R109 F111 V112 V113 L164 R229	R109-Y146 WeakPolarHBondContact O-CE2 3.37Å; F111-Y146 PolarHBondContact O-N 3.2Å; V112-Y146 WeakPolarHBondContact CA-O 3.47Å; V112-Y146 HydrophobicContact CG2-CD2 4.23Å; V113-Y146 PolarHBondContact N-O 2.96Å; Y146-L164 HydrophobicContact CD1-CD1 3.77Å; Y146-L164 HydrophobicContact CD2-CD1 4.09Å; Y146-L164 HydrophobicContact CE1-CD1 4.19Å; Y146-L164 HydrophobicContact CE1-CD2 4.46Å; Y146-L164 HydrophobicContact CE2-CB 4.34Å; Y146-L164 HydrophobicContact CE2-CD1 4.48Å; Y146-L164 HydrophobicContact CG-CD1 3.72Å; Y146-R229 CarbonylContact C-O 3.57Å; Y146-R229 VanDerWaalsContact CA-O 3.32Å; Y146-R229 WeakPolarHBondContact CA-O 3.31Å; Y146-R229 HydrophobicContact CD1-CB 3.79Å; Y146-R229 HydrophobicContact CE1-CB 4.12Å; Y146-R229 HydrophobicContact CE1-CG 4.49Å
147	L	98.8	Very high	98	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.042	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117	179	175.3	66.2	0	0	0	109.6	V113 Y115 A131 A135 V145 S149 V222 K228 R229	V113-L147 HydrophobicContact CB-CD1 3.75Å; V113-L147 HydrophobicContact CG1-CD1 3.69Å; Y115-L147 HydrophobicContact CD1-CD1 4.46Å; Y115-L147 HydrophobicContact CE1-CD1 4.32Å; A131-L147 HydrophobicContact CB-CD1 4.08Å; A135-L147 HydrophobicContact CB-CD2 4.09Å; V145-L147 HydrophobicContact CG1-CB 4.18Å; V145-L147 PolarHBondContact O-N 3.41Å; L147-S149 PolarHBondContact O-N 3.09Å; L147-V222 HydrophobicContact CD2-CG1 3.4Å; L147-V222 VanDerWaalsContact CD2-CG1 3.4Å; L147-V222 HydrophobicContact CD2-CG2 4.43Å; L147-K228 HydrophobicContact CB-CG 4.45Å; L147-R229 PolarHBondContact N-O 3.37Å
148	F	98.7	Very high	98	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	11%	0.114	C	C	.	.			trans	-58.7	131.2	173.9	-74.1	-81.8	0	0	0	110.9	V112 V113 Y115 R150 V152 F156 V157 A160 P231 L232 I235	V112-F148 HydrophobicContact CG1-CD2 4.46Å; V112-F148 HydrophobicContact CG1-CE2 3.82Å; V113-F148 WeakPolarHBondContact O-CD2 3.46Å; V113-F148 PolarHBondContact O-N 3Å; V113-F148 VanDerWaalsContact O-N 3.1Å; Y115-F148 VanDerWaalsContact CE1-O 3.29Å; Y115-F148 WeakPolarHBondContact CE1-O 3.41Å; F148-R150 PolarHBondContact O-N 3.15Å; F148-V152 HydrophobicContact CB-CG1 4.04Å; F148-V152 HydrophobicContact CB-CG2 4.35Å; F148-V152 HydrophobicContact CD1-CG1 3.56Å; F148-V152 HydrophobicContact CD1-CG2 4.46Å; F148-V152 HydrophobicContact CD2-CG1 4.48Å; F148-V152 HydrophobicContact CD2-CG2 3.94Å; F148-V152 HydrophobicContact CE1-CG1 4.06Å; F148-V152 HydrophobicContact CE2-CG2 4.32Å; F148-V152 HydrophobicContact CG-CG1 3.79Å; F148-V152 HydrophobicContact CG-CG2 4.01Å; F148-F156 HydrophobicContact CE1-CD2 4.08Å; F148-F156 HydrophobicContact CZ-CB 4.07Å; F148-F156 HydrophobicContact CZ-CD2 4.36Å; F148-V157 HydrophobicContact CE2-CG2 4.37Å; F148-A160 HydrophobicContact CE2-CB 4.32Å; F148-A160 HydrophobicContact CZ-CB 3.95Å; F148-P231 HydrophobicContact CD1-CG 3.8Å; F148-P231 HydrophobicContact CD2-CG 4.18Å; F148-P231 HydrophobicContact CE1-CB 4.43Å; F148-P231 HydrophobicContact CE1-CG 3.73Å; F148-P231 HydrophobicContact CE2-CG 4.1Å; F148-P231 HydrophobicContact CG-CG 4.04Å; F148-P231 HydrophobicContact CZ-CG 3.89Å; F148-L232 HydrophobicContact CD1-CB 3.93Å; F148-L232 HydrophobicContact CD1-CD1 3.92Å; F148-L232 HydrophobicContact CE1-CD1 4.34Å; F148-I235 HydrophobicContact CE1-CB 4.16Å; F148-I235 HydrophobicContact CE1-CG2 4.13Å; F148-I235 HydrophobicContact CZ-CB 4.36Å; F148-I235 HydrophobicContact CZ-CG1 4.44Å; F148-I235 HydrophobicContact CZ-CG2 4.05Å
149	S	96.4	Very high	98	Very high	52 Å²	52	22.8 Å²	22.8	36%	0.364	11%	0.114	S	C	.	.	S	Bend	trans	-71.5	-17.5	-178.7	53.2	0	0	0	0	114.6	Y115 L147 D230	Y115-S149 PolarHBondContact OH-O 2.54Å; L147-S149 PolarHBondContact O-N 3.09Å; S149-D230 WeakPolarHBondContact CB-OD2 3.47Å; S149-D230 PolarHBondContact N-OD1 3.18Å; S149-D230 VanDerWaalsContact OG-CG 3.28Å; S149-D230 PolarHBondContact OG-OD1 3.29Å; S149-D230 PolarHBondContact OG-OD2 3.36Å
150	R	96.1	Very high	98	Very high	122 Å²	122	22.5 Å²	22.5	46%	0.46	11%	0.112	S	C	.	.	S	Bend	trans	-136.7	172.4	179	-60.8	-173.8	71.5	-174.9	-2.6	110.2	Y115 F148 L232	Y115-R150 WeakPolarHBondContact OH-CA 3.36Å; F148-R150 PolarHBondContact O-N 3.15Å; R150-L232 HydrophobicContact CB-CD2 4.13Å; R150-L232 HydrophobicContact CG-CD2 4.28Å
151	Y	95.4	Very high	98.1	Very high	50 Å²	50	21 Å²	21	20%	0.196	10%	0.099	C	C	.	.			trans	-60.5	141.6	170.5	45.2	-105.3	0	0	0	111.3	Y115 T117 V268 Y272 P294	Y115-Y151 VanDerWaalsContact O-CA 3.31Å; Y115-Y151 WeakPolarHBondContact O-CA 3.44Å; T117-Y151 HydrophobicContact CG2-CD1 4.21Å; T117-Y151 HydrophobicContact CG2-CG 4.07Å; Y151-V268 HydrophobicContact CD2-CB 4.35Å; Y151-V268 HydrophobicContact CD2-CG1 4.18Å; Y151-V268 HydrophobicContact CG-CG1 4.26Å; Y151-Y272 PolarHBondContact O-OH 3.49Å; Y151-P294 HydrophobicContact CD2-CG 4.38Å; Y151-P294 HydrophobicContact CE1-CB 4.03Å; Y151-P294 HydrophobicContact CE1-CG 3.96Å; Y151-P294 HydrophobicContact CE2-CG 3.72Å; Y151-P294 VanDerWaalsContact CZ-CG 3.49Å
152	V	98.1	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.			trans	-137.9	154.4	-175.7	-69.1	0	0	0	0	111.1	Y115 F148 F156 M171 L232	Y115-V152 PolarHBondContact O-N 3.04Å; F148-V152 HydrophobicContact CB-CG1 4.04Å; F148-V152 HydrophobicContact CB-CG2 4.35Å; F148-V152 HydrophobicContact CD1-CG1 3.56Å; F148-V152 HydrophobicContact CD1-CG2 4.46Å; F148-V152 HydrophobicContact CD2-CG1 4.48Å; F148-V152 HydrophobicContact CD2-CG2 3.94Å; F148-V152 HydrophobicContact CE1-CG1 4.06Å; F148-V152 HydrophobicContact CE2-CG2 4.32Å; F148-V152 HydrophobicContact CG-CG1 3.79Å; F148-V152 HydrophobicContact CG-CG2 4.01Å; V152-F156 HydrophobicContact CB-CB 4.15Å; V152-F156 HydrophobicContact CB-CD2 4.28Å; V152-F156 HydrophobicContact CB-CG 4.33Å; V152-F156 HydrophobicContact CG1-CD2 4.19Å; V152-F156 HydrophobicContact CG2-CB 4.34Å; V152-M171 HydrophobicContact CG2-SD 4.44Å; V152-M171 WeakPolarHBondContact O-CE 3.44Å; V152-L232 HydrophobicContact CG1-CD1 3.68Å
153	P	98.3	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.088	C	C	.	.			trans	-56.8	140.8	167.7	-24.9	36	0	0	0	110.8	P155 F156 V268 Y272 D334 A335 V451	P153-P155 VanDerWaalsContact C-N 3.27Å; P153-P155 HydrophobicContact CB-CG 3.74Å; P153-F156 HydrophobicContact CB-CD1 4.05Å; P153-F156 HydrophobicContact CG-CD1 4.05Å; P153-F156 HydrophobicContact CG-CE1 4.12Å; P153-F156 VanDerWaalsContact O-CB 3.31Å; P153-F156 WeakPolarHBondContact O-CB 3.16Å; P153-F156 PolarHBondContact O-N 2.89Å; P153-V268 HydrophobicContact CB-CG2 4.28Å; P153-V268 HydrophobicContact CG-CG2 4.15Å; P153-Y272 VanDerWaalsContact CD-CD2 3.5Å; P153-Y272 VanDerWaalsContact CD-CE2 3.41Å; P153-Y272 HydrophobicContact CG-CD1 4.23Å; P153-Y272 HydrophobicContact CG-CD2 3.5Å; P153-Y272 HydrophobicContact CG-CE2 3.99Å; P153-Y272 HydrophobicContact CG-CG 3.63Å; P153-D334 CarbonylContact C-O 3.53Å; P153-D334 WeakPolarHBondContact CA-O 3.35Å; P153-A335 HydrophobicContact CB-CB 4.13Å; P153-A335 HydrophobicContact CG-CB 4.49Å; P153-V451 HydrophobicContact CB-CG2 4.28Å; P153-V451 HydrophobicContact CG-CG2 4.09Å
154	T	98.3	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-43.3	170.1	-74.6	0	0	0	0	113.6	F156 V157 P158 M171 K185 Y187 D334 D336	T154-F156 PolarHBondContact O-N 3.12Å; T154-V157 PolarHBondContact O-N 2.72Å; T154-P158 WeakPolarHBondContact O-CD 3.38Å; T154-M171 HydrophobicContact CG2-CG 4.38Å; T154-M171 WeakPolarHBondContact OG1-CG 3.1Å; T154-K185 HydrophobicContact CG2-CD 4.35Å; T154-Y187 WeakPolarHBondContact CG2-OH 3.35Å; T154-D334 PolarHBondContact N-O 3.01Å; T154-D334 VanDerWaalsContact OG1-CB 3.29Å; T154-D334 WeakPolarHBondContact OG1-CB 3.42Å; T154-D334 PolarHBondContact OG1-OD2 3.39Å; T154-D336 HydrophobicContact CG2-CB 4.11Å
155	P	98	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.4	177.8	20.7	-34.6	0	0	0	115.1	P153 V157 P158 Y159 V445 D449	P153-P155 VanDerWaalsContact C-N 3.27Å; P153-P155 HydrophobicContact CB-CG 3.74Å; P155-V157 PolarHBondContact O-N 3.41Å; P155-P158 WeakPolarHBondContact O-CD 3.3Å; P155-P158 WeakPolarHBondContact O-CG 3.38Å; P155-Y159 VanDerWaalsContact O-CB 3.23Å; P155-Y159 WeakPolarHBondContact O-CB 3.28Å; P155-Y159 PolarHBondContact O-N 2.95Å; P155-V445 HydrophobicContact CB-CB 4.5Å; P155-V445 HydrophobicContact CB-CG1 3.73Å; P155-V445 HydrophobicContact CB-CG2 4.34Å; P155-D449 HydrophobicContact CB-CB 4.07Å; P155-D449 HydrophobicContact CG-CB 4.31Å
156	F	98.6	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.6	-32.7	177.6	-87	43.9	0	0	0	112.9	F148 V152 P153 T154 A160 I235 C236 Y239 Y272	F148-F156 HydrophobicContact CE1-CD2 4.08Å; F148-F156 HydrophobicContact CZ-CB 4.07Å; F148-F156 HydrophobicContact CZ-CD2 4.36Å; V152-F156 HydrophobicContact CB-CB 4.15Å; V152-F156 HydrophobicContact CB-CD2 4.28Å; V152-F156 HydrophobicContact CB-CG 4.33Å; V152-F156 HydrophobicContact CG1-CD2 4.19Å; V152-F156 HydrophobicContact CG2-CB 4.34Å; P153-F156 HydrophobicContact CB-CD1 4.05Å; P153-F156 HydrophobicContact CG-CD1 4.05Å; P153-F156 HydrophobicContact CG-CE1 4.12Å; P153-F156 VanDerWaalsContact O-CB 3.31Å; P153-F156 WeakPolarHBondContact O-CB 3.16Å; P153-F156 PolarHBondContact O-N 2.89Å; T154-F156 PolarHBondContact O-N 3.12Å; F156-A160 WeakPolarHBondContact O-CB 3.12Å; F156-A160 PolarHBondContact O-N 2.86Å; F156-I235 HydrophobicContact CD2-CG2 3.75Å; F156-I235 HydrophobicContact CE2-CG2 4.2Å; F156-I235 HydrophobicContact CG-CG2 4.3Å; F156-C236 HydrophobicContact CE2-CB 3.84Å; F156-C236 HydrophobicContact CZ-CB 4.25Å; F156-Y239 HydrophobicContact CD1-CG 4.47Å; F156-Y239 AromaticContact CE1-CD1 3.59Å; F156-Y239 HydrophobicContact CE1-CD1 3.59Å; F156-Y239 HydrophobicContact CE1-CD2 4.29Å; F156-Y239 AromaticContact CE1-CE1 3.87Å; F156-Y239 HydrophobicContact CE1-CE1 3.87Å; F156-Y239 AromaticContact CE1-CG 3.82Å; F156-Y239 HydrophobicContact CE1-CG 3.82Å; F156-Y239 AromaticContact CZ-CD1 3.91Å; F156-Y239 HydrophobicContact CZ-CD1 3.91Å; F156-Y239 HydrophobicContact CZ-CG 4.19Å; F156-Y272 HydrophobicContact CD2-CE1 4.48Å; F156-Y272 AromaticContact CE1-CD1 3.99Å; F156-Y272 HydrophobicContact CE1-CD1 3.99Å; F156-Y272 HydrophobicContact CE1-CE1 4.37Å; F156-Y272 AromaticContact CE2-CD1 4Å; F156-Y272 HydrophobicContact CE2-CD1 4Å; F156-Y272 AromaticContact CE2-CE1 3.64Å; F156-Y272 HydrophobicContact CE2-CE1 3.64Å; F156-Y272 AromaticContact CZ-CD1 3.42Å; F156-Y272 HydrophobicContact CZ-CD1 3.42Å; F156-Y272 VanDerWaalsContact CZ-CD1 3.42Å; F156-Y272 AromaticContact CZ-CE1 3.59Å; F156-Y272 HydrophobicContact CZ-CE1 3.59Å; F156-Y272 HydrophobicContact CZ-CG 4.43Å
157	V	98.8	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-58.8	-179.3	174.9	0	0	0	0	111.7	V112 F148 T154 P155 Y159 A160 V161 M171 Y187	V112-V157 HydrophobicContact CG1-CG1 4.22Å; F148-V157 HydrophobicContact CE2-CG2 4.37Å; T154-V157 PolarHBondContact O-N 2.72Å; P155-V157 PolarHBondContact O-N 3.41Å; V157-Y159 VanDerWaalsContact C-N 3.27Å; V157-Y159 PolarHBondContact O-N 3.05Å; V157-A160 PolarHBondContact O-N 3.46Å; V157-A160 VanDerWaalsContact O-N 3.16Å; V157-V161 WeakPolarHBondContact O-CG2 3.41Å; V157-V161 PolarHBondContact O-N 2.85Å; V157-M171 HydrophobicContact CB-CB 4.34Å; V157-M171 HydrophobicContact CG2-CB 3.94Å; V157-M171 HydrophobicContact CG2-CG 4.35Å; V157-M171 HydrophobicContact CG2-SD 3.7Å; V157-Y187 HydrophobicContact CB-CD2 4.32Å; V157-Y187 HydrophobicContact CB-CE2 4.37Å; V157-Y187 HydrophobicContact CG1-CD2 3.67Å; V157-Y187 HydrophobicContact CG1-CE2 4.15Å; V157-Y187 HydrophobicContact CG1-CG 4.49Å
158	P	98.2	Very high	98	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-36.3	177.7	21.9	-30.5	0	0	0	112.7	T154 P155 V161 Q162 Y187 G191 V445 D447	T154-P158 WeakPolarHBondContact O-CD 3.38Å; P155-P158 WeakPolarHBondContact O-CD 3.3Å; P155-P158 WeakPolarHBondContact O-CG 3.38Å; P158-V161 PolarHBondContact O-N 3.39Å; P158-Q162 PolarHBondContact O-N 2.62Å; P158-Y187 HydrophobicContact CB-CD1 3.59Å; P158-Y187 HydrophobicContact CB-CE1 3.93Å; P158-Y187 HydrophobicContact CB-CG 4.03Å; P158-Y187 HydrophobicContact CG-CD1 3.96Å; P158-Y187 HydrophobicContact CG-CE1 3.76Å; P158-Y187 HydrophobicContact CG-CG 4.47Å; P158-G191 WeakPolarHBondContact CB-O 3.41Å; P158-V445 HydrophobicContact CG-CG1 3.88Å; P158-D447 HydrophobicContact CG-CB 4.28Å
159	Y	98.6	Very high	98	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-47.3	174.1	-174.8	-94.9	0	0	0	111.8	P155 V157 V161 Q162 K163 I235 R238 Y239 D242 S444 V445	P155-Y159 VanDerWaalsContact O-CB 3.23Å; P155-Y159 WeakPolarHBondContact O-CB 3.28Å; P155-Y159 PolarHBondContact O-N 2.95Å; V157-Y159 VanDerWaalsContact C-N 3.27Å; V157-Y159 PolarHBondContact O-N 3.05Å; Y159-V161 PolarHBondContact O-N 3.15Å; Y159-Q162 PolarHBondContact O-N 2.62Å; Y159-K163 HydrophobicContact CD1-CG 3.97Å; Y159-K163 HydrophobicContact CE1-CD 4.46Å; Y159-K163 HydrophobicContact CE1-CG 3.6Å; Y159-K163 HydrophobicContact CE2-CG 4.29Å; Y159-K163 HydrophobicContact CG-CG 4.46Å; Y159-K163 VanDerWaalsContact O-CG 3.32Å; Y159-K163 WeakPolarHBondContact O-CG 3.42Å; Y159-K163 PolarHBondContact O-N 3.06Å; Y159-K163 VanDerWaalsContact OH-CE 3.25Å; Y159-K163 WeakPolarHBondContact OH-CE 3.21Å; Y159-I235 HydrophobicContact CD1-CG2 3.92Å; Y159-I235 HydrophobicContact CE1-CG2 4.39Å; Y159-R238 HydrophobicContact CE1-CB 3.98Å; Y159-R238 WeakPolarHBondContact OH-CB 3.38Å; Y159-R238 PolarHBondContact OH-O 2.94Å; Y159-Y239 HydrophobicContact CD1-CD2 4.44Å; Y159-Y239 HydrophobicContact CD2-CD2 4.18Å; Y159-Y239 HydrophobicContact CE2-CD2 4.37Å; Y159-Y239 HydrophobicContact CG-CD2 4.21Å; Y159-Y239 VanDerWaalsContact CZ-CA 3.48Å; Y159-Y239 WeakPolarHBondContact OH-CA 3.33Å; Y159-Y239 PolarHBondContact OH-N 3.4Å; Y159-D242 HydrophobicContact CE2-CB 4.29Å; Y159-D242 VanDerWaalsContact CE2-OD2 3.24Å; Y159-D242 WeakPolarHBondContact CE2-OD2 3.32Å; Y159-D242 PolarHBondContact OH-OD2 3.36Å; Y159-S444 WeakPolarHBondContact CD2-O 3.3Å; Y159-V445 HydrophobicContact CD2-CG2 3.94Å; Y159-V445 HydrophobicContact CG-CG2 4.45Å
160	A	98.8	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-39	178.3	0	0	0	0	0	112.5	V112 F148 F156 V157 Q162 K163 L164 I235	V112-A160 HydrophobicContact CG1-CB 3.98Å; V112-A160 HydrophobicContact CG2-CB 4.27Å; F148-A160 HydrophobicContact CE2-CB 4.32Å; F148-A160 HydrophobicContact CZ-CB 3.95Å; F156-A160 WeakPolarHBondContact O-CB 3.12Å; F156-A160 PolarHBondContact O-N 2.86Å; V157-A160 PolarHBondContact O-N 3.46Å; V157-A160 VanDerWaalsContact O-N 3.16Å; A160-Q162 VanDerWaalsContact C-N 3.3Å; A160-Q162 PolarHBondContact O-N 2.99Å; A160-K163 PolarHBondContact O-N 3.15Å; A160-L164 HydrophobicContact CB-CD1 4.21Å; A160-L164 VanDerWaalsContact O-CB 3.24Å; A160-L164 WeakPolarHBondContact O-CB 3.49Å; A160-L164 WeakPolarHBondContact O-CG 3.47Å; A160-L164 PolarHBondContact O-N 3.4Å; A160-I235 HydrophobicContact CB-CD1 3.75Å; A160-I235 HydrophobicContact CB-CG1 3.79Å; A160-I235 HydrophobicContact CB-CG2 4.22Å
161	V	98.7	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-54.8	-48.7	175.6	170.8	0	0	0	0	110.4	V112 V157 P158 Y159 K165 A166 W188	V112-V161 HydrophobicContact CB-CG2 3.88Å; V112-V161 HydrophobicContact CG2-CG2 3.8Å; V157-V161 WeakPolarHBondContact O-CG2 3.41Å; V157-V161 PolarHBondContact O-N 2.85Å; P158-V161 PolarHBondContact O-N 3.39Å; Y159-V161 PolarHBondContact O-N 3.15Å; V161-K165 CarbonylContact O-C 3.56Å; V161-K165 WeakPolarHBondContact O-CA 3.48Å; V161-K165 PolarHBondContact O-N 3.2Å; V161-A166 HydrophobicContact CG1-CB 4.46Å; V161-A166 PolarHBondContact O-N 3.23Å; V161-W188 VanDerWaalsContact CG1-O 3.31Å; V161-W188 WeakPolarHBondContact CG1-O 3.44Å
162	Q	98	Very high	98.4	Very high	63 Å²	63	15.6 Å²	15.6	29%	0.294	7%	0.07	S	C	.	.	H	α-helix	trans	-66.1	-47.7	177.6	-68.7	-175.8	-28.3	0	0	112.6	P158 Y159 A160 L164 K165 T190	P158-Q162 PolarHBondContact O-N 2.62Å; Y159-Q162 PolarHBondContact O-N 2.62Å; A160-Q162 VanDerWaalsContact C-N 3.3Å; A160-Q162 PolarHBondContact O-N 2.99Å; Q162-L164 PolarHBondContact O-N 2.88Å; Q162-K165 PolarHBondContact O-N 2.59Å; Q162-T190 PolarHBondContact NE2-O 3.27Å
163	K	98.2	Very high	98.4	Very high	69 Å²	69	15.7 Å²	15.7	30%	0.3	7%	0.071	S	C	.	.	H	α-helix	trans	-71	-30.9	-174.1	-64	-55.5	174.7	167.4	0	113.9	Y159 A160 I235 D242	Y159-K163 HydrophobicContact CD1-CG 3.97Å; Y159-K163 HydrophobicContact CE1-CD 4.46Å; Y159-K163 HydrophobicContact CE1-CG 3.6Å; Y159-K163 HydrophobicContact CE2-CG 4.29Å; Y159-K163 HydrophobicContact CG-CG 4.46Å; Y159-K163 VanDerWaalsContact O-CG 3.32Å; Y159-K163 WeakPolarHBondContact O-CG 3.42Å; Y159-K163 PolarHBondContact O-N 3.06Å; Y159-K163 VanDerWaalsContact OH-CE 3.25Å; Y159-K163 WeakPolarHBondContact OH-CE 3.21Å; A160-K163 PolarHBondContact O-N 3.15Å; K163-I235 HydrophobicContact CB-CD1 4.04Å; K163-D242 VanDerWaalsContact CE-OD2 3.31Å; K163-D242 WeakPolarHBondContact CE-OD2 3.44Å; K163-D242 IonicContact NZ-OD2 3.27Å; K163-D242 PolarHBondContact NZ-OD2 3.24Å
164	L	98.4	Very high	98.2	Very high	37 Å²	37	15.8 Å²	15.8	19%	0.194	7%	0.072	C	C	.	.	H	α-helix	trans	-92.3	-6.3	177.2	-59.4	170.8	0	0	0	112.1	V112 Y146 A160 Q162 A166 P231 I235	V112-L164 HydrophobicContact CG2-CD1 4.36Å; Y146-L164 HydrophobicContact CD1-CD1 3.77Å; Y146-L164 HydrophobicContact CD2-CD1 4.09Å; Y146-L164 HydrophobicContact CE1-CD1 4.19Å; Y146-L164 HydrophobicContact CE1-CD2 4.46Å; Y146-L164 HydrophobicContact CE2-CB 4.34Å; Y146-L164 HydrophobicContact CE2-CD1 4.48Å; Y146-L164 HydrophobicContact CG-CD1 3.72Å; A160-L164 HydrophobicContact CB-CD1 4.21Å; A160-L164 VanDerWaalsContact O-CB 3.24Å; A160-L164 WeakPolarHBondContact O-CB 3.49Å; A160-L164 WeakPolarHBondContact O-CG 3.47Å; A160-L164 PolarHBondContact O-N 3.4Å; Q162-L164 PolarHBondContact O-N 2.88Å; L164-A166 PolarHBondContact O-N 3.13Å; L164-P231 HydrophobicContact CD1-CB 3.81Å; L164-I235 HydrophobicContact CD1-CD1 4.28Å; L164-I235 HydrophobicContact CD1-CG1 4.44Å; L164-I235 HydrophobicContact CD2-CD1 4.45Å; L164-I235 HydrophobicContact CG-CD1 4.12Å
165	K	98.1	Very high	97.9	Very high	157 Å²	157	16 Å²	16	68%	0.683	7%	0.074	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.3	-172.2	-54	-179.1	179.7	-176.1	0	111.1	R109 V161 Q162	R109-K165 WeakPolarHBondContact CB-O 3.41Å; R109-K165 WeakPolarHBondContact CG-O 3.38Å; R109-K165 PolarHBondContact NE-O 2.93Å; R109-K165 PolarHBondContact NH2-O 3.21Å; V161-K165 CarbonylContact O-C 3.56Å; V161-K165 WeakPolarHBondContact O-CA 3.48Å; V161-K165 PolarHBondContact O-N 3.2Å; Q162-K165 PolarHBondContact O-N 2.59Å
166	A	98.6	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.081	C	C	.	.			trans	-70.6	157.8	172.2	0	0	0	0	0	109.8	R109 V112 V161 L164 A168	R109-A166 PolarHBondContact NH2-O 2.83Å; V112-A166 HydrophobicContact CG2-CB 3.7Å; V161-A166 HydrophobicContact CG1-CB 4.46Å; V161-A166 PolarHBondContact O-N 3.23Å; L164-A166 PolarHBondContact O-N 3.13Å; A166-A168 VanDerWaalsContact C-N 3.31Å
167	V	98.3	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-74.9	-25.4	179.1	-58.2	0	0	0	0	112.8	L99 F103 F106 R109 G110 E189	L99-V167 HydrophobicContact CD1-CG2 4.05Å; L99-V167 HydrophobicContact CD2-CG2 3.97Å; L99-V167 HydrophobicContact CG-CG2 4.47Å; F103-V167 HydrophobicContact CB-CG1 4.07Å; F103-V167 HydrophobicContact CD1-CG1 4.27Å; F103-V167 HydrophobicContact CD2-CB 3.81Å; F103-V167 HydrophobicContact CD2-CG1 4.07Å; F103-V167 HydrophobicContact CD2-CG2 4.4Å; F103-V167 HydrophobicContact CE2-CB 3.97Å; F103-V167 HydrophobicContact CG-CB 4.14Å; F103-V167 HydrophobicContact CG-CG1 3.88Å; F103-V167 HydrophobicContact CZ-CB 4.47Å; F106-V167 HydrophobicContact CD2-CB 4.33Å; F106-V167 HydrophobicContact CD2-CG1 4.15Å; F106-V167 HydrophobicContact CD2-CG2 3.25Å; F106-V167 HydrophobicContact CE2-CG2 3.44Å; F106-V167 VanDerWaalsContact CE2-CG2 3.44Å; F106-V167 HydrophobicContact CG-CG2 4.26Å; R109-V167 HydrophobicContact CB-CG1 3.78Å; G110-V167 PolarHBondContact O-N 2.97Å; V167-E189 WeakPolarHBondContact O-CA 3.23Å; V167-E189 WeakPolarHBondContact O-CB 3.31Å; V167-E189 PolarHBondContact O-N 3.07Å
168	A	98.6	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	171.6	-178.5	0	0	0	0	0	109.7	L99 F111 V112 A166 Y187 W188	L99-A168 HydrophobicContact CD1-CB 4.15Å; L99-A168 HydrophobicContact CD2-CB 4.03Å; F111-A168 WeakPolarHBondContact CA-O 3.49Å; F111-A168 HydrophobicContact CD2-CB 3.79Å; F111-A168 HydrophobicContact CE2-CB 3.42Å; F111-A168 VanDerWaalsContact CE2-CB 3.42Å; F111-A168 HydrophobicContact CZ-CB 4.33Å; V112-A168 PolarHBondContact N-O 3.07Å; A166-A168 VanDerWaalsContact C-N 3.31Å; A168-Y187 CarbonylContact C-O 3.52Å; A168-Y187 WeakPolarHBondContact CA-O 3.34Å; A168-Y187 VanDerWaalsContact CB-O 3.28Å; A168-Y187 WeakPolarHBondContact CB-O 3.45Å; A168-W188 HydrophobicContact CB-CE3 4.42Å
169	G	98.6	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.7	170.2	0	0	0	0	0	112.9	V112 Y187	V112-G169 CarbonylContact O-C 3.55Å; V112-G169 WeakPolarHBondContact O-CA 3.26Å; G169-Y187 PolarHBondContact N-O 2.84Å; G169-Y187 PolarHBondContact O-N 3.01Å
170	V	98.8	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.2	172.9	75.5	0	0	0	0	111.5	F111 V112 V113 G114 T134 I172 Y184 K185	F111-V170 HydrophobicContact CE1-CB 4Å; F111-V170 HydrophobicContact CE1-CG1 3.88Å; F111-V170 HydrophobicContact CZ-CB 4.18Å; F111-V170 HydrophobicContact CZ-CG1 4.49Å; V112-V170 PolarHBondContact O-N 2.99Å; V113-V170 HydrophobicContact CB-CG1 4.41Å; V113-V170 HydrophobicContact CG1-CG1 3.97Å; V113-V170 HydrophobicContact CG2-CG1 4.23Å; G114-V170 PolarHBondContact N-O 3.49Å; T134-V170 HydrophobicContact CG2-CG1 3.79Å; V170-I172 HydrophobicContact CG1-CD1 4.14Å; V170-I172 HydrophobicContact CG2-CD1 3.99Å; V170-Y184 HydrophobicContact CB-CE1 4.05Å; V170-Y184 HydrophobicContact CB-CE2 4.47Å; V170-Y184 HydrophobicContact CG1-CE2 4.32Å; V170-Y184 HydrophobicContact CG2-CD1 3.37Å; V170-Y184 HydrophobicContact CG2-CD2 3.79Å; V170-Y184 HydrophobicContact CG2-CE1 3.36Å; V170-Y184 HydrophobicContact CG2-CE2 3.79Å; V170-Y184 HydrophobicContact CG2-CG 3.58Å; V170-K185 CarbonylContact C-O 3.52Å; V170-K185 WeakPolarHBondContact CA-O 3.49Å; V170-K185 WeakPolarHBondContact CG2-O 3.37Å
171	M	98.6	Very high	95.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.3	164.7	-175.7	64.1	-177.6	0	0	109.4	Y115 D116 V152 T154 V157 T173 K185 Y187 D334	Y115-M171 VanDerWaalsContact C-CE 3.42Å; Y115-M171 PolarHBondContact N-SD 2.93Å; Y115-M171 VanDerWaalsContact N-SD 3.44Å; D116-M171 HydrophobicContact CB-CE 4.13Å; V152-M171 HydrophobicContact CG2-SD 4.44Å; V152-M171 WeakPolarHBondContact O-CE 3.44Å; T154-M171 HydrophobicContact CG2-CG 4.38Å; T154-M171 WeakPolarHBondContact OG1-CG 3.1Å; V157-M171 HydrophobicContact CB-CB 4.34Å; V157-M171 HydrophobicContact CG2-CB 3.94Å; V157-M171 HydrophobicContact CG2-CG 4.35Å; V157-M171 HydrophobicContact CG2-SD 3.7Å; M171-T173 HydrophobicContact CB-CG2 4.41Å; M171-T173 HydrophobicContact CE-CG2 4.37Å; M171-T173 HydrophobicContact CG-CG2 3.56Å; M171-T173 PolarHBondContact O-N 2.86Å; M171-K185 HydrophobicContact CB-CB 4.21Å; M171-K185 PolarHBondContact N-O 2.75Å; M171-K185 PolarHBondContact O-N 2.84Å; M171-Y187 HydrophobicContact CB-CE2 4.02Å; M171-D334 HydrophobicContact CE-CB 4.47Å
172	I	98.6	Very high	95.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	103.3	174.5	-51.7	-59.1	0	0	0	109.1	G114 Y115 D116 L130 A131 V170 G183 Y184	G114-I172 PolarHBondContact O-N 2.89Å; Y115-I172 WeakPolarHBondContact CA-O 3.37Å; D116-I172 PolarHBondContact N-O 3.03Å; L130-I172 HydrophobicContact CB-CG2 3.97Å; L130-I172 HydrophobicContact CD1-CG2 4.19Å; A131-I172 HydrophobicContact CB-CG1 4.13Å; V170-I172 HydrophobicContact CG1-CD1 4.14Å; V170-I172 HydrophobicContact CG2-CD1 3.99Å; I172-G183 WeakPolarHBondContact CA-O 3.31Å; I172-Y184 HydrophobicContact CD1-CD2 3.53Å; I172-Y184 HydrophobicContact CD1-CE2 3.97Å; I172-Y184 HydrophobicContact CD1-CG 4.3Å
173	T	96.9	Very high	95.4	Very high	2 Å²	2	31 Å²	31	1%	0.012	14%	0.139	C	C	.	.			trans	-170.7	156.9	-177.5	-178	0	0	0	0	111.1	D116 M171 S175 N182 G183 K185 D334	D116-T173 VanDerWaalsContact OD2-CB 3.28Å; D116-T173 WeakPolarHBondContact OD2-CB 3.31Å; D116-T173 PolarHBondContact OD2-OG1 3.34Å; M171-T173 HydrophobicContact CB-CG2 4.41Å; M171-T173 HydrophobicContact CE-CG2 4.37Å; M171-T173 HydrophobicContact CG-CG2 3.56Å; M171-T173 PolarHBondContact O-N 2.86Å; T173-S175 PolarHBondContact OG1-N 2.94Å; T173-N182 WeakPolarHBondContact CA-OD1 3.46Å; T173-N182 PolarHBondContact N-OD1 2.93Å; T173-G183 PolarHBondContact N-O 3.28Å; T173-G183 VanDerWaalsContact N-O 3.16Å; T173-G183 CarbonylContact O-C 3.58Å; T173-G183 WeakPolarHBondContact O-CA 3.48Å; T173-G183 PolarHBondContact O-N 3.39Å; T173-K185 HydrophobicContact CG2-CD 3.6Å; T173-K185 HydrophobicContact CG2-CG 3.94Å; T173-D334 HydrophobicContact CG2-CB 4.23Å; T173-D334 WeakPolarHBondContact CG2-OD2 3.25Å; T173-D334 WeakPolarHBondContact OG1-CB 3.21Å
174	A	94.1	Very high	95.4	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.017	13%	0.125	C	C	.	.			trans	-113.5	21.1	161.9	0	0	0	0	0	114	R73 H176 N177 D181	R73-A174 HydrophobicContact CG-CB 4.08Å; A174-H176 PolarHBondContact O-N 2.95Å; A174-N177 HydrophobicContact CB-CB 3.83Å; A174-N177 WeakPolarHBondContact O-CB 3.45Å; A174-N177 PolarHBondContact O-N 3.33Å; A174-N177 PolarHBondContact O-OD1 3.29Å; A174-D181 HydrophobicContact CB-CB 3.89Å
175	S	92.4	Very high	95.3	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.035	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-136.7	176.6	172.7	0	0	0	0	112.2	R118 T173 N177 D332 D334	R118-S175 PolarHBondContact NH2-O 3.06Å; T173-S175 PolarHBondContact OG1-N 2.94Å; S175-N177 PolarHBondContact O-N 2.57Å; S175-D332 PolarHBondContact OG-OD2 3.35Å; S175-D334 VanDerWaalsContact CA-OD1 3.29Å; S175-D334 WeakPolarHBondContact CA-OD1 3.24Å; S175-D334 WeakPolarHBondContact CB-OD1 3.48Å; S175-D334 PolarHBondContact OG-OD1 3.18Å
176	H	89.8	Confident	95.3	Very high	35 Å²	35	19.1 Å²	19.1	16%	0.162	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-4.8	177.6	69.5	-72.5	0	0	0	115.9	A174 C303 N305 D332 R337	A174-H176 PolarHBondContact O-N 2.95Å; H176-C303 PolarHBondContact O-SG 3.46Å; H176-N305 HydrophobicContact CB-CB 3.94Å; H176-D332 HydrophobicContact CB-CB 4.28Å; H176-D332 PolarHBondContact N-OD2 3.07Å; H176-R337 VanDerWaalsContact CE1-CZ 3.48Å; H176-R337 PolarHBondContact CE1-NH1 3.41Å; H176-R337 VanDerWaalsContact CE1-NH1 3.27Å; H176-R337 PolarHBondContact CE1-NH2 3.03Å; H176-R337 VanDerWaalsContact ND1-CZ 3.27Å; H176-R337 PolarHBondContact ND1-NH1 2.94Å; H176-R337 VanDerWaalsContact ND1-NH1 3.16Å
177	N	89.6	Confident	95.3	Very high	29 Å²	29	19.1 Å²	19.1	16%	0.155	9%	0.086	C	C	.	.	S	Bend	trans	-62.5	160.7	177.3	-80	86	0	0	0	112.1	R73 R118 A174 S175 D181	R73-N177 WeakPolarHBondContact CD-OD1 3.42Å; R73-N177 PolarHBondContact NH1-OD1 3.03Å; R118-N177 PolarHBondContact NH1-O 2.94Å; A174-N177 HydrophobicContact CB-CB 3.83Å; A174-N177 WeakPolarHBondContact O-CB 3.45Å; A174-N177 PolarHBondContact O-N 3.33Å; A174-N177 PolarHBondContact O-OD1 3.29Å; S175-N177 PolarHBondContact O-N 2.57Å; N177-D181 HydrophobicContact CB-CB 3.8Å; N177-D181 WeakPolarHBondContact CB-OD2 3.5Å; N177-D181 PolarHBondContact ND2-OD2 3.43Å
178	R	89.2	Confident	95.3	Very high	133 Å²	133	20.1 Å²	20.1	50%	0.502	9%	0.09	S	C	.	.			trans	-58.5	161.1	177.7	-54.3	176.4	-177.3	-92.4	-0.3	111.5	R118 E180 D181	R118-R178 PolarHBondContact NH1-O 2.91Å; R178-E180 WeakPolarHBondContact CB-OE2 3.32Å; R178-E180 PolarHBondContact O-N 3.03Å; R178-E180 VanDerWaalsContact O-N 3.15Å; R178-D181 PolarHBondContact O-N 3.06Å
179	K	89.7	Confident	95.2	Very high	68 Å²	68	23.3 Å²	23.3	30%	0.296	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.2	-178.8	67.2	-179.5	-171.8	170.4	0	113.9	M76 D181 D297 F298	M76-K179 WeakPolarHBondContact CE-O 3.27Å; K179-D181 VanDerWaalsContact C-N 3.27Å; K179-D181 PolarHBondContact O-N 2.9Å; K179-D297 HydrophobicContact CD-CB 4.17Å; K179-D297 WeakPolarHBondContact CD-O 3.33Å; K179-D297 WeakPolarHBondContact CD-OD1 3.5Å; K179-D297 WeakPolarHBondContact CE-OD1 3.11Å; K179-D297 IonicContact NZ-OD1 3.36Å; K179-D297 PolarHBondContact NZ-OD1 2.82Å; K179-F298 HydrophobicContact CB-CD2 3.91Å; K179-F298 HydrophobicContact CB-CE2 4.22Å
180	E	92.4	Very high	95.1	Very high	76 Å²	76	25.8 Å²	25.8	36%	0.355	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.9	178.3	-61.3	74.5	-158.6	0	0	112.2	A75 M76 R178	A75-E180 CarbonylContact C-O 3.35Å; A75-E180 WeakPolarHBondContact CA-O 3.33Å; M76-E180 PolarHBondContact N-O 3.11Å; R178-E180 WeakPolarHBondContact CB-OE2 3.32Å; R178-E180 PolarHBondContact O-N 3.03Å; R178-E180 VanDerWaalsContact O-N 3.15Å
181	D	93.6	Very high	95	Very high	33 Å²	33	25.8 Å²	25.8	18%	0.176	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.7	-179.3	-65.8	-34.2	0	0	0	111.8	A75 R118 A174 N177 R178 K179	A75-D181 PolarHBondContact N-OD1 2.82Å; R118-D181 WeakPolarHBondContact CD-O 3.48Å; R118-D181 PolarHBondContact NH1-O 3.18Å; A174-D181 HydrophobicContact CB-CB 3.89Å; N177-D181 HydrophobicContact CB-CB 3.8Å; N177-D181 WeakPolarHBondContact CB-OD2 3.5Å; N177-D181 PolarHBondContact ND2-OD2 3.43Å; R178-D181 PolarHBondContact O-N 3.06Å; K179-D181 VanDerWaalsContact C-N 3.27Å; K179-D181 PolarHBondContact O-N 2.9Å
182	N	95.8	Very high	94.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	177.3	166.5	-154.5	-18.7	0	0	0	110.2	R73 S74 M76 I83 S127 T173	R73-N182 WeakPolarHBondContact CA-O 3.25Å; R73-N182 WeakPolarHBondContact CG-O 3.41Å; S74-N182 PolarHBondContact N-O 2.88Å; S74-N182 PolarHBondContact O-N 3.05Å; S74-N182 VanDerWaalsContact O-O 3.07Å; M76-N182 HydrophobicContact CE-CB 4.17Å; M76-N182 HydrophobicContact CG-CB 3.58Å; M76-N182 HydrophobicContact SD-CB 3.72Å; I83-N182 HydrophobicContact CB-CB 4.42Å; I83-N182 HydrophobicContact CG2-CB 3.94Å; S127-N182 PolarHBondContact OG-ND2 3.38Å; S127-N182 PolarHBondContact OG-OD1 2.83Å; T173-N182 WeakPolarHBondContact CA-OD1 3.46Å; T173-N182 PolarHBondContact N-OD1 2.93Å
183	G	95.8	Very high	94.8	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	173	-174.8	0	0	0	0	0	114.6	L72 I172 T173	L72-G183 CarbonylContact O-C 3.53Å; L72-G183 WeakPolarHBondContact O-CA 3.35Å; I172-G183 WeakPolarHBondContact CA-O 3.31Å; T173-G183 PolarHBondContact N-O 3.28Å; T173-G183 VanDerWaalsContact N-O 3.16Å; T173-G183 CarbonylContact O-C 3.58Å; T173-G183 WeakPolarHBondContact O-CA 3.48Å; T173-G183 PolarHBondContact O-N 3.39Å
184	Y	97.4	Very high	94.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	87.2	-176	-164.8	-80.7	0	0	0	107.5	G71 L72 V88 T92 M95 T134 V170 I172 V186	G71-Y184 WeakPolarHBondContact CA-O 3.33Å; L72-Y184 PolarHBondContact N-O 2.98Å; L72-Y184 VanDerWaalsContact N-O 3.11Å; L72-Y184 PolarHBondContact O-N 2.95Å; V88-Y184 HydrophobicContact CG1-CD2 4.29Å; V88-Y184 HydrophobicContact CG1-CE2 4.1Å; V88-Y184 HydrophobicContact CG2-CD2 4.38Å; T92-Y184 PolarHBondContact OG1-OH 2.95Å; T92-Y184 VanDerWaalsContact OG1-OH 3.04Å; M95-Y184 HydrophobicContact CE-CE1 4.34Å; T134-Y184 HydrophobicContact CG2-CE2 4.29Å; V170-Y184 HydrophobicContact CB-CE1 4.05Å; V170-Y184 HydrophobicContact CB-CE2 4.47Å; V170-Y184 HydrophobicContact CG1-CE2 4.32Å; V170-Y184 HydrophobicContact CG2-CD1 3.37Å; V170-Y184 HydrophobicContact CG2-CD2 3.79Å; V170-Y184 HydrophobicContact CG2-CE1 3.36Å; V170-Y184 HydrophobicContact CG2-CE2 3.79Å; V170-Y184 HydrophobicContact CG2-CG 3.58Å; I172-Y184 HydrophobicContact CD1-CD2 3.53Å; I172-Y184 HydrophobicContact CD1-CE2 3.97Å; I172-Y184 HydrophobicContact CD1-CG 4.3Å; Y184-V186 HydrophobicContact CD1-CG2 3.61Å; Y184-V186 HydrophobicContact CE1-CG2 3.66Å
185	K	97.4	Very high	94.6	Very high	9 Å²	9	27.8 Å²	27.8	4%	0.039	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.2	-179.6	-49.2	-169.6	163	166.6	0	109.6	A70 T154 V170 M171 T173 Y187 D334 D336	A70-K185 VanDerWaalsContact O-CG 3.24Å; A70-K185 WeakPolarHBondContact O-CG 3.39Å; T154-K185 HydrophobicContact CG2-CD 4.35Å; V170-K185 CarbonylContact C-O 3.52Å; V170-K185 WeakPolarHBondContact CA-O 3.49Å; V170-K185 WeakPolarHBondContact CG2-O 3.37Å; M171-K185 HydrophobicContact CB-CB 4.21Å; M171-K185 PolarHBondContact N-O 2.75Å; M171-K185 PolarHBondContact O-N 2.84Å; T173-K185 HydrophobicContact CG2-CD 3.6Å; T173-K185 HydrophobicContact CG2-CG 3.94Å; K185-Y187 HydrophobicContact CB-CE2 4.12Å; K185-D334 IonicContact NZ-OD2 3.01Å; K185-D334 PolarHBondContact NZ-OD2 3.29Å; K185-D336 IonicContact NZ-OD2 3.02Å; K185-D336 PolarHBondContact NZ-OD2 3.16Å
186	V	97.9	Very high	94.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.2	-175	-177.2	0	0	0	0	111.2	F67 M95 Y184 Q193 I194	F67-V186 HydrophobicContact CE1-CG2 3.88Å; F67-V186 HydrophobicContact CZ-CG2 4.26Å; M95-V186 HydrophobicContact CE-CB 4.07Å; M95-V186 HydrophobicContact CE-CG1 3.37Å; M95-V186 HydrophobicContact CE-CG2 3.5Å; M95-V186 HydrophobicContact SD-CG1 4.32Å; Y184-V186 HydrophobicContact CD1-CG2 3.61Å; Y184-V186 HydrophobicContact CE1-CG2 3.66Å; V186-Q193 WeakPolarHBondContact O-CA 3.45Å; V186-I194 HydrophobicContact CB-CD1 3.84Å; V186-I194 HydrophobicContact CB-CG1 4.04Å; V186-I194 HydrophobicContact CB-CG2 4.23Å; V186-I194 HydrophobicContact CG1-CD1 4.06Å; V186-I194 HydrophobicContact CG1-CG1 4.35Å; V186-I194 HydrophobicContact CG1-CG2 3.65Å; V186-I194 HydrophobicContact CG2-CD1 4.33Å; V186-I194 PolarHBondContact O-N 3.24Å
187	Y	98.2	Very high	94.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.4	173.5	-59	-86.6	0	0	0	110.1	T154 V157 P158 A168 G169 M171 K185 A192 Q193 D447	T154-Y187 WeakPolarHBondContact CG2-OH 3.35Å; V157-Y187 HydrophobicContact CB-CD2 4.32Å; V157-Y187 HydrophobicContact CB-CE2 4.37Å; V157-Y187 HydrophobicContact CG1-CD2 3.67Å; V157-Y187 HydrophobicContact CG1-CE2 4.15Å; V157-Y187 HydrophobicContact CG1-CG 4.49Å; P158-Y187 HydrophobicContact CB-CD1 3.59Å; P158-Y187 HydrophobicContact CB-CE1 3.93Å; P158-Y187 HydrophobicContact CB-CG 4.03Å; P158-Y187 HydrophobicContact CG-CD1 3.96Å; P158-Y187 HydrophobicContact CG-CE1 3.76Å; P158-Y187 HydrophobicContact CG-CG 4.47Å; A168-Y187 CarbonylContact C-O 3.52Å; A168-Y187 WeakPolarHBondContact CA-O 3.34Å; A168-Y187 VanDerWaalsContact CB-O 3.28Å; A168-Y187 WeakPolarHBondContact CB-O 3.45Å; G169-Y187 PolarHBondContact N-O 2.84Å; G169-Y187 PolarHBondContact O-N 3.01Å; M171-Y187 HydrophobicContact CB-CE2 4.02Å; K185-Y187 HydrophobicContact CB-CE2 4.12Å; Y187-A192 WeakPolarHBondContact CA-O 3.35Å; Y187-Q193 HydrophobicContact CD1-CG 3.8Å; Y187-Q193 HydrophobicContact CE1-CG 3.38Å; Y187-D447 HydrophobicContact CE1-CB 4.2Å; Y187-D447 WeakPolarHBondContact CE1-OD2 3.34Å; Y187-D447 VanDerWaalsContact CZ-OD2 3.29Å; Y187-D447 PolarHBondContact OH-OD2 3.15Å
188	W	97.8	Very high	94.8	Very high	21 Å²	21	33 Å²	33	8%	0.08	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	175.5	176.3	-155.5	-118.5	0	0	0	111.5	Y98 L99 C102 F103 V161 A168 T190 G191 A192 I194 H198	Y98-W188 HydrophobicContact CD1-CH2 4Å; Y98-W188 HydrophobicContact CD1-CZ3 4.29Å; Y98-W188 AromaticContact CE1-CH2 3.73Å; Y98-W188 HydrophobicContact CE1-CH2 3.73Å; Y98-W188 HydrophobicContact CE1-CZ3 4.2Å; L99-W188 HydrophobicContact CD2-CE3 4.25Å; L99-W188 HydrophobicContact CD2-CH2 3.46Å; L99-W188 VanDerWaalsContact CD2-CH2 3.46Å; L99-W188 HydrophobicContact CD2-CZ2 4.38Å; L99-W188 HydrophobicContact CD2-CZ3 3.37Å; L99-W188 HydrophobicContact CG-CZ3 4.44Å; C102-W188 HydrophobicContact CB-CH2 4.34Å; C102-W188 HydrophobicContact CB-CZ2 4.23Å; F103-W188 HydrophobicContact CD2-CZ2 4.41Å; F103-W188 AromaticContact CE2-CE2 3.8Å; F103-W188 AromaticContact CE2-CH2 3.69Å; F103-W188 HydrophobicContact CE2-CH2 3.69Å; F103-W188 AromaticContact CE2-CZ2 3.27Å; F103-W188 HydrophobicContact CE2-CZ2 3.27Å; F103-W188 AromaticContact CZ-CE2 3.73Å; F103-W188 HydrophobicContact CZ-CH2 4.43Å; F103-W188 AromaticContact CZ-CZ2 3.57Å; F103-W188 HydrophobicContact CZ-CZ2 3.57Å; F103-W188 AromaticContact CZ-NE1 3.77Å; V161-W188 VanDerWaalsContact CG1-O 3.31Å; V161-W188 WeakPolarHBondContact CG1-O 3.44Å; A168-W188 HydrophobicContact CB-CE3 4.42Å; W188-T190 PolarHBondContact O-N 3.12Å; W188-G191 PolarHBondContact O-N 3.39Å; W188-A192 PolarHBondContact N-O 3.06Å; W188-I194 HydrophobicContact CB-CG2 4.24Å; W188-I194 HydrophobicContact CE3-CG2 4.04Å; W188-H198 AromaticContact CE2-CE1 3.83Å; W188-H198 AromaticContact CE2-NE2 3.95Å; W188-H198 AromaticContact CZ2-CE1 3.71Å; W188-H198 AromaticContact CZ2-ND1 3.91Å; W188-H198 AromaticContact NE1-NE2 3.92Å
189	E	97.7	Very high	95	Very high	68 Å²	68	27.7 Å²	27.7	32%	0.318	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.6	-179.7	65.9	176.4	147.7	0	0	114.1	F103 R109 V167 G191	F103-E189 HydrophobicContact CE1-CG 4.47Å; F103-E189 WeakPolarHBondContact CE1-OE1 3.5Å; F103-E189 HydrophobicContact CZ-CG 4.19Å; F103-E189 WeakPolarHBondContact CZ-OE1 2.78Å; R109-E189 IonicContact CZ-OE2 2.79Å; R109-E189 VanDerWaalsContact CZ-OE2 3.27Å; R109-E189 IonicContact NH1-OE2 3.45Å; R109-E189 PolarHBondContact NH1-OE2 3Å; R109-E189 VanDerWaalsContact NH2-CB 3.28Å; R109-E189 IonicContact NH2-OE2 2.7Å; R109-E189 PolarHBondContact NH2-OE2 2.89Å; V167-E189 WeakPolarHBondContact O-CA 3.23Å; V167-E189 WeakPolarHBondContact O-CB 3.31Å; V167-E189 PolarHBondContact O-N 3.07Å; E189-G191 PolarHBondContact O-N 2.99Å
190	T	96.3	Very high	95.2	Very high	51 Å²	51	30.6 Å²	30.6	31%	0.313	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.8	177.4	61.5	0	0	0	0	112.9	Q162 W188 A192 I420	Q162-T190 PolarHBondContact NE2-O 3.27Å; W188-T190 PolarHBondContact O-N 3.12Å; T190-A192 PolarHBondContact O-N 3.11Å; T190-A192 PolarHBondContact OG1-N 3.37Å; T190-I420 VanDerWaalsContact CB-CD1 3.44Å; T190-I420 HydrophobicContact CG2-CD1 4.12Å; T190-I420 WeakPolarHBondContact OG1-CD1 3.33Å
191	G	95.9	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	79.3	-3.9	-173.3	0	0	0	0	0	114.2	P158 W188 E189	P158-G191 WeakPolarHBondContact CB-O 3.41Å; W188-G191 PolarHBondContact O-N 3.39Å; E189-G191 PolarHBondContact O-N 2.99Å
192	A	96.3	Very high	95.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	15%	0.15	C	C	.	.	S	Bend	trans	-84.3	154.7	171.1	0	0	0	0	0	111.1	Y187 W188 T190 I420	Y187-A192 WeakPolarHBondContact CA-O 3.35Å; W188-A192 PolarHBondContact N-O 3.06Å; T190-A192 PolarHBondContact O-N 3.11Å; T190-A192 PolarHBondContact OG1-N 3.37Å; A192-I420 HydrophobicContact CB-CD1 3.62Å
193	Q	96.2	Very high	95.6	Very high	10 Å²	10	30.4 Å²	30.4	5%	0.047	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-64.2	146.9	170.8	-65.6	-179.1	26.4	0	0	110.8	T69 V186 Y187 K413 D447	T69-Q193 PolarHBondContact O-OE1 2.89Å; V186-Q193 WeakPolarHBondContact O-CA 3.45Å; Y187-Q193 HydrophobicContact CD1-CG 3.8Å; Y187-Q193 HydrophobicContact CE1-CG 3.38Å; Q193-K413 HydrophobicContact CB-CB 3.68Å; Q193-D447 VanDerWaalsContact NE2-CG 3.33Å; Q193-D447 PolarHBondContact NE2-OD1 3.33Å; Q193-D447 PolarHBondContact NE2-OD2 3.13Å
194	I	95	Very high	95.6	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.062	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-63.6	145.3	-177.8	60.5	170.5	0	0	0	113	F67 V186 W188 H198 D199 I202	F67-I194 HydrophobicContact CD1-CD1 4.12Å; F67-I194 HydrophobicContact CE1-CD1 3.88Å; F67-I194 HydrophobicContact CE2-CD1 4.39Å; F67-I194 HydrophobicContact CG-CD1 4.49Å; F67-I194 HydrophobicContact CZ-CD1 4.04Å; V186-I194 HydrophobicContact CB-CD1 3.84Å; V186-I194 HydrophobicContact CB-CG1 4.04Å; V186-I194 HydrophobicContact CB-CG2 4.23Å; V186-I194 HydrophobicContact CG1-CD1 4.06Å; V186-I194 HydrophobicContact CG1-CG1 4.35Å; V186-I194 HydrophobicContact CG1-CG2 3.65Å; V186-I194 HydrophobicContact CG2-CD1 4.33Å; V186-I194 PolarHBondContact O-N 3.24Å; W188-I194 HydrophobicContact CB-CG2 4.24Å; W188-I194 HydrophobicContact CE3-CG2 4.04Å; I194-H198 HydrophobicContact CB-CB 4.2Å; I194-H198 HydrophobicContact CG2-CB 4.35Å; I194-D199 HydrophobicContact CD1-CB 4.18Å; I194-I202 HydrophobicContact CD1-CD1 3.68Å
195	T	91.9	Very high	95.6	Very high	25 Å²	25	35.1 Å²	35.1	15%	0.153	18%	0.18	C	C	.	.			trans	-125.8	174.6	171.5	57.2	0	0	0	0	109.8	H198 D199 K413	T195-H198 WeakPolarHBondContact O-CB 3.46Å; T195-H198 PolarHBondContact O-N 3Å; T195-D199 PolarHBondContact O-N 3.3Å; T195-K413 HydrophobicContact CG2-CB 3.9Å; T195-K413 HydrophobicContact CG2-CD 4.05Å; T195-K413 HydrophobicContact CG2-CG 3.94Å
196	S	88.5	Confident	95.6	Very high	60 Å²	60	35 Å²	35	42%	0.42	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	136.7	172.9	175.5	0	0	0	0	110.4	D199	S196-D199 WeakPolarHBondContact CA-OD1 3.22Å; S196-D199 WeakPolarHBondContact CB-OD1 3.27Å; S196-D199 PolarHBondContact N-OD1 3.27Å
197	P	92.7	Very high	95.4	Very high	72 Å²	72	41 Å²	41	47%	0.468	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.7	-4.3	12.3	35.8	-36.4	0	0	0	116	D199 K200 E201	P197-D199 VanDerWaalsContact C-N 3.35Å; P197-D199 PolarHBondContact O-N 3.43Å; P197-K200 PolarHBondContact O-N 3.08Å; P197-E201 WeakPolarHBondContact O-CG 3.31Å; P197-E201 PolarHBondContact O-N 2.87Å
198	H	95.3	Very high	95.2	Very high	45 Å²	45	45.6 Å²	45.6	21%	0.208	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-44.6	-173.5	-59	-52.2	0	0	0	112.5	Y98 W188 I194 T195 K200 E201 I202	Y98-H198 HydrophobicContact CE1-CB 3.97Å; Y98-H198 AromaticContact CE1-ND1 3.45Å; Y98-H198 WeakPolarHBondContact CE1-ND1 3.02Å; Y98-H198 AromaticContact CZ-ND1 3.59Å; Y98-H198 PolarHBondContact OH-ND1 3.27Å; W188-H198 AromaticContact CE2-CE1 3.83Å; W188-H198 AromaticContact CE2-NE2 3.95Å; W188-H198 AromaticContact CZ2-CE1 3.71Å; W188-H198 AromaticContact CZ2-ND1 3.91Å; W188-H198 AromaticContact NE1-NE2 3.92Å; I194-H198 HydrophobicContact CB-CB 4.2Å; I194-H198 HydrophobicContact CG2-CB 4.35Å; T195-H198 WeakPolarHBondContact O-CB 3.46Å; T195-H198 PolarHBondContact O-N 3Å; H198-K200 PolarHBondContact O-N 3.39Å; H198-E201 PolarHBondContact O-N 2.9Å; H198-I202 WeakPolarHBondContact O-CB 3.22Å; H198-I202 VanDerWaalsContact O-CD1 3.29Å; H198-I202 WeakPolarHBondContact O-CD1 3.25Å; H198-I202 WeakPolarHBondContact O-CG1 3.27Å; H198-I202 PolarHBondContact O-N 3.49Å
199	D	93.3	Very high	95	Very high	22 Å²	22	45.4 Å²	45.4	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-55.3	-46.9	178	57.1	2.7	0	0	0	113.3	F67 I194 T195 S196 P197 L203	F67-D199 HydrophobicContact CB-CB 4.04Å; F67-D199 HydrophobicContact CD2-CB 3.95Å; F67-D199 WeakPolarHBondContact CD2-O 3.24Å; F67-D199 HydrophobicContact CG-CB 4.11Å; I194-D199 HydrophobicContact CD1-CB 4.18Å; T195-D199 PolarHBondContact O-N 3.3Å; S196-D199 WeakPolarHBondContact CA-OD1 3.22Å; S196-D199 WeakPolarHBondContact CB-OD1 3.27Å; S196-D199 PolarHBondContact N-OD1 3.27Å; P197-D199 VanDerWaalsContact C-N 3.35Å; P197-D199 PolarHBondContact O-N 3.43Å; D199-L203 WeakPolarHBondContact O-CG 3.41Å; D199-L203 PolarHBondContact O-N 3.33Å; D199-L203 VanDerWaalsContact O-N 3.15Å
200	K	93.6	Very high	94.8	Very high	129 Å²	129	43.9 Å²	43.9	56%	0.561	23%	0.226	S	C	*	.	H	α-helix	trans	-69.5	-42.9	179.3	-69.4	173.5	-174.9	167.2	0	112.6	P197 H198 I202 L203 K204	P197-K200 PolarHBondContact O-N 3.08Å; H198-K200 PolarHBondContact O-N 3.39Å; K200-I202 VanDerWaalsContact C-N 3.34Å; K200-L203 PolarHBondContact O-N 3.19Å; K200-K204 PolarHBondContact O-N 3.12Å
201	E	97.3	Very high	94.8	Very high	65 Å²	65	45.8 Å²	45.8	30%	0.304	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-35.4	-179.8	-68.1	-57.3	135.7	0	0	111.8	Y98 P197 H198 K204 C205	Y98-E201 HydrophobicContact CD2-CB 3.59Å; Y98-E201 HydrophobicContact CE1-CB 4.3Å; Y98-E201 HydrophobicContact CE2-CB 3.22Å; Y98-E201 HydrophobicContact CE2-CG 3.79Å; Y98-E201 HydrophobicContact CG-CB 4.27Å; P197-E201 WeakPolarHBondContact O-CG 3.31Å; P197-E201 PolarHBondContact O-N 2.87Å; H198-E201 PolarHBondContact O-N 2.9Å; E201-K204 PolarHBondContact O-N 3.14Å; E201-C205 WeakPolarHBondContact O-CB 3.46Å; E201-C205 PolarHBondContact O-N 2.79Å; E201-C205 PolarHBondContact O-SG 3.37Å
202	I	96.9	Very high	94.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-48.6	171.4	-68.1	158.4	0	0	0	109.9	F67 M95 Y98 I194 H198 K200 K204 C205 I206	F67-I202 HydrophobicContact CE2-CB 4.01Å; F67-I202 HydrophobicContact CE2-CG2 3.76Å; F67-I202 HydrophobicContact CZ-CB 4.47Å; F67-I202 HydrophobicContact CZ-CG2 3.91Å; M95-I202 HydrophobicContact CE-CD1 3.56Å; M95-I202 HydrophobicContact CE-CG1 4.19Å; M95-I202 HydrophobicContact CE-CG2 4.14Å; M95-I202 HydrophobicContact SD-CD1 3.74Å; M95-I202 HydrophobicContact SD-CG1 4.05Å; Y98-I202 HydrophobicContact CD1-CD1 4.22Å; Y98-I202 HydrophobicContact CD1-CG1 3.55Å; Y98-I202 HydrophobicContact CE1-CG1 4.26Å; Y98-I202 HydrophobicContact CG-CG1 4.1Å; I194-I202 HydrophobicContact CD1-CD1 3.68Å; H198-I202 WeakPolarHBondContact O-CB 3.22Å; H198-I202 VanDerWaalsContact O-CD1 3.29Å; H198-I202 WeakPolarHBondContact O-CD1 3.25Å; H198-I202 WeakPolarHBondContact O-CG1 3.27Å; H198-I202 PolarHBondContact O-N 3.49Å; K200-I202 VanDerWaalsContact C-N 3.34Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.09Å; I202-C205 CarbonylContact O-C 3.53Å; I202-C205 WeakPolarHBondContact O-CB 3.44Å; I202-C205 PolarHBondContact O-N 3.33Å; I202-C205 VanDerWaalsContact O-N 3.09Å; I202-I206 HydrophobicContact CG2-CD1 3.93Å; I202-I206 HydrophobicContact CG2-CG1 4.31Å; I202-I206 VanDerWaalsContact O-CG1 3.29Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.91Å
203	L	95.3	Very high	95	Very high	40 Å²	40	49.1 Å²	49.1	21%	0.209	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-44.6	177.9	-73.7	169.7	0	0	0	112.1	F67 L72 D199 K200 C205 I206 E207	F67-L203 HydrophobicContact CD2-CD1 3.95Å; F67-L203 HydrophobicContact CD2-CD2 4.03Å; F67-L203 HydrophobicContact CD2-CG 3.69Å; F67-L203 HydrophobicContact CE2-CD2 4.13Å; F67-L203 HydrophobicContact CE2-CG 3.94Å; L72-L203 HydrophobicContact CD2-CD2 4.36Å; D199-L203 WeakPolarHBondContact O-CG 3.41Å; D199-L203 PolarHBondContact O-N 3.33Å; D199-L203 VanDerWaalsContact O-N 3.15Å; K200-L203 PolarHBondContact O-N 3.19Å; L203-C205 VanDerWaalsContact C-N 3.33Å; L203-C205 PolarHBondContact O-N 2.89Å; L203-I206 HydrophobicContact CD2-CD1 4.39Å; L203-I206 WeakPolarHBondContact O-CB 3.4Å; L203-I206 PolarHBondContact O-N 3.38Å; L203-I206 VanDerWaalsContact O-N 3.13Å; L203-E207 PolarHBondContact O-N 2.77Å
204	K	96.9	Very high	94.9	Very high	103 Å²	103	56.6 Å²	56.6	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-58.6	-45.1	174.5	-176.4	-177.3	174.4	-172.5	0	111.6	K200 E201 I202 I206 E207 E208	K200-K204 PolarHBondContact O-N 3.12Å; E201-K204 PolarHBondContact O-N 3.14Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.09Å; K204-I206 VanDerWaalsContact C-N 3.29Å; K204-I206 PolarHBondContact O-N 3.23Å; K204-E207 PolarHBondContact O-N 3.31Å; K204-E208 VanDerWaalsContact CE-OE1 3.24Å; K204-E208 WeakPolarHBondContact CE-OE1 3.29Å; K204-E208 WeakPolarHBondContact O-CG 3.47Å; K204-E208 PolarHBondContact O-N 3.24Å
205	C	97.7	Very high	94.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-31.7	176.8	-66.8	0	0	0	0	112.7	G94 K97 R101 E201 I202 L203 E208 C209	G94-C205 WeakPolarHBondContact O-CB 3.49Å; K97-C205 HydrophobicContact CB-CB 4.11Å; R101-C205 PolarHBondContact NH1-SG 3.24Å; R101-C205 VanDerWaalsContact NH1-SG 3.38Å; E201-C205 WeakPolarHBondContact O-CB 3.46Å; E201-C205 PolarHBondContact O-N 2.79Å; E201-C205 PolarHBondContact O-SG 3.37Å; I202-C205 CarbonylContact O-C 3.53Å; I202-C205 WeakPolarHBondContact O-CB 3.44Å; I202-C205 PolarHBondContact O-N 3.33Å; I202-C205 VanDerWaalsContact O-N 3.09Å; L203-C205 VanDerWaalsContact C-N 3.33Å; L203-C205 PolarHBondContact O-N 2.89Å; C205-E208 PolarHBondContact O-N 2.89Å; C205-C209 WeakPolarHBondContact O-CB 3.34Å; C205-C209 PolarHBondContact O-N 3.28Å; C205-C209 VanDerWaalsContact O-N 3.16Å
206	I	96.3	Very high	95	Very high	8 Å²	8	56 Å²	56	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-45.1	173.6	-66.7	169.6	0	0	0	110	R64 Q90 I202 L203 K204 E208 C209 V210	R64-I206 VanDerWaalsContact NH1-CG2 3.26Å; Q90-I206 HydrophobicContact CB-CG2 4.38Å; I202-I206 HydrophobicContact CG2-CD1 3.93Å; I202-I206 HydrophobicContact CG2-CG1 4.31Å; I202-I206 VanDerWaalsContact O-CG1 3.29Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.91Å; L203-I206 HydrophobicContact CD2-CD1 4.39Å; L203-I206 WeakPolarHBondContact O-CB 3.4Å; L203-I206 PolarHBondContact O-N 3.38Å; L203-I206 VanDerWaalsContact O-N 3.13Å; K204-I206 VanDerWaalsContact C-N 3.29Å; K204-I206 PolarHBondContact O-N 3.23Å; I206-E208 VanDerWaalsContact C-N 3.31Å; I206-E208 PolarHBondContact O-N 3.18Å; I206-C209 CarbonylContact O-C 3.35Å; I206-C209 PolarHBondContact O-N 3.19Å; I206-C209 VanDerWaalsContact O-N 3.12Å; I206-V210 WeakPolarHBondContact O-CG1 3.14Å; I206-V210 PolarHBondContact O-N 2.86Å
207	E	94.6	Very high	95.5	Very high	128 Å²	128	54.8 Å²	54.8	60%	0.598	28%	0.275	S	S	*	.	H	α-helix	trans	-65.3	-33	177.1	-68.4	177.2	168.2	0	0	112.6	L203 K204 C209 V210	L203-E207 PolarHBondContact O-N 2.77Å; K204-E207 PolarHBondContact O-N 3.31Å; E207-C209 VanDerWaalsContact C-N 3.29Å; E207-C209 PolarHBondContact O-N 2.84Å; E207-V210 WeakPolarHBondContact O-CG1 3.49Å
208	E	94.7	Very high	95.6	Very high	97 Å²	97	54.4 Å²	54.4	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-71.1	-21.3	173	-71	171.1	-172.2	0	0	112.9	R101 K204 C205 I206	R101-E208 IonicContact CZ-OE2 3.69Å; R101-E208 IonicContact NH1-OE2 3.84Å; R101-E208 IonicContact NH2-OE2 2.81Å; R101-E208 PolarHBondContact NH2-OE2 3.17Å; K204-E208 VanDerWaalsContact CE-OE1 3.24Å; K204-E208 WeakPolarHBondContact CE-OE1 3.29Å; K204-E208 WeakPolarHBondContact O-CG 3.47Å; K204-E208 PolarHBondContact O-N 3.24Å; C205-E208 PolarHBondContact O-N 2.89Å; I206-E208 VanDerWaalsContact C-N 3.31Å; I206-E208 PolarHBondContact O-N 3.18Å
209	C	92.5	Very high	95.6	Very high	16 Å²	16	54.5 Å²	54.5	11%	0.108	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	47.7	-170.8	-67	0	0	0	0	113.1	Q93 C205 I206 E207 W213	Q93-C209 HydrophobicContact CB-CB 4.19Å; Q93-C209 PolarHBondContact NE2-O 3.1Å; C205-C209 WeakPolarHBondContact O-CB 3.34Å; C205-C209 PolarHBondContact O-N 3.28Å; C205-C209 VanDerWaalsContact O-N 3.16Å; I206-C209 CarbonylContact O-C 3.35Å; I206-C209 PolarHBondContact O-N 3.19Å; I206-C209 VanDerWaalsContact O-N 3.12Å; E207-C209 VanDerWaalsContact C-N 3.29Å; E207-C209 PolarHBondContact O-N 2.84Å; C209-W213 HydrophobicContact CB-CZ2 4.21Å
210	V	93.9	Very high	95.7	Very high	37 Å²	37	58.2 Å²	58.2	22%	0.224	29%	0.291	C	S	.	.			trans	-74	-31.7	-176.8	-63.6	0	0	0	0	114.1	W35 R64 Q90 I206 E207 P212	W35-V210 HydrophobicContact CH2-CB 4.13Å; W35-V210 HydrophobicContact CH2-CG2 3.59Å; W35-V210 HydrophobicContact CZ2-CG2 4.27Å; W35-V210 HydrophobicContact CZ3-CB 4.12Å; W35-V210 HydrophobicContact CZ3-CG2 4.09Å; R64-V210 VanDerWaalsContact NH2-CG1 3.31Å; Q90-V210 WeakPolarHBondContact CG-O 3.34Å; Q90-V210 PolarHBondContact NE2-O 3.32Å; I206-V210 WeakPolarHBondContact O-CG1 3.14Å; I206-V210 PolarHBondContact O-N 2.86Å; E207-V210 WeakPolarHBondContact O-CG1 3.49Å; V210-P212 WeakPolarHBondContact O-CD 3.45Å
211	E	97	Very high	95.9	Very high	91 Å²	91	53.8 Å²	53.8	43%	0.425	27%	0.273	S	S	.	.	S	Bend	trans	-75.4	127.4	175.6	-177	157.6	-147.8	0	0	109.7	R34 W35 Q93 W213	R34-E211 IonicContact CZ-OE1 2.78Å; R34-E211 IonicContact NE-OE1 3.8Å; R34-E211 IonicContact NH2-OE1 3.51Å; R34-E211 PolarHBondContact NH2-OE1 3.42Å; R34-E211 IonicContact NH2-OE2 3.48Å; W35-E211 HydrophobicContact CZ2-CB 4.15Å; W35-E211 PolarHBondContact NE1-OE1 2.74Å; Q93-E211 PolarHBondContact NE2-O 2.92Å; E211-W213 PolarHBondContact O-N 3.25Å
212	P	98	Very high	95.8	Very high	22 Å²	22	51 Å²	51	14%	0.143	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-58.6	127.3	175.2	-27.1	36.8	0	0	0	111.6	W35 L86 I89 Q93 V210	W35-P212 HydrophobicContact CB-CG 4.11Å; W35-P212 HydrophobicContact CG-CG 4.49Å; L86-P212 HydrophobicContact CD1-CG 3.42Å; L86-P212 VanDerWaalsContact CD1-CG 3.42Å; I89-P212 HydrophobicContact CG2-CB 4.17Å; Q93-P212 VanDerWaalsContact OE1-CA 3.32Å; V210-P212 WeakPolarHBondContact O-CD 3.45Å
213	W	97.6	Very high	95.7	Very high	48 Å²	48	56.5 Å²	56.5	18%	0.182	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64	158.2	174.7	-57.1	-29.9	0	0	0	111.5	Q93 Y96 K97 V137 K141 C209 E211 G215 S216	Q93-W213 HydrophobicContact CB-CD2 4.39Å; Q93-W213 HydrophobicContact CB-CE3 4.29Å; Q93-W213 HydrophobicContact CB-CH2 3.72Å; Q93-W213 HydrophobicContact CB-CZ2 3.79Å; Q93-W213 HydrophobicContact CB-CZ3 3.98Å; Q93-W213 HydrophobicContact CG-CD2 3.81Å; Q93-W213 HydrophobicContact CG-CE3 3.63Å; Q93-W213 HydrophobicContact CG-CH2 4Å; Q93-W213 HydrophobicContact CG-CZ2 4.14Å; Q93-W213 HydrophobicContact CG-CZ3 3.75Å; Q93-W213 WeakPolarHBondContact O-CH2 3.07Å; Y96-W213 AromaticContact CD1-CH2 3.58Å; Y96-W213 HydrophobicContact CD1-CH2 3.58Å; Y96-W213 AromaticContact CD1-CZ3 3.91Å; Y96-W213 HydrophobicContact CD1-CZ3 3.91Å; Y96-W213 HydrophobicContact CE1-CH2 4.41Å; Y96-W213 HydrophobicContact CG-CH2 4.05Å; Y96-W213 HydrophobicContact CG-CZ3 4.06Å; K97-W213 HydrophobicContact CD-CZ2 4.34Å; K97-W213 HydrophobicContact CG-CH2 4.03Å; K97-W213 HydrophobicContact CG-CZ2 3.9Å; V137-W213 HydrophobicContact CG1-CE3 4.5Å; V137-W213 HydrophobicContact CG1-CZ3 4.39Å; K141-W213 HydrophobicContact CD-CE3 4.21Å; K141-W213 HydrophobicContact CD-CZ3 4.31Å; K141-W213 VanDerWaalsContact CE-CZ3 3.46Å; K141-W213 HydrophobicContact CG-CE3 4.14Å; K141-W213 HydrophobicContact CG-CZ3 3.96Å; C209-W213 HydrophobicContact CB-CZ2 4.21Å; E211-W213 PolarHBondContact O-N 3.25Å; W213-G215 PolarHBondContact O-N 3.09Å; W213-S216 PolarHBondContact N-OG 3.36Å; W213-S216 WeakPolarHBondContact O-CB 3.44Å; W213-S216 PolarHBondContact O-N 3.36Å; W213-S216 VanDerWaalsContact O-N 3.08Å; W213-S216 PolarHBondContact O-OG 2.9Å
214	N	94.6	Very high	95.8	Very high	168 Å²	168	59.5 Å²	59.5	90%	0.898	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	130.2	169.8	-170.8	31.7	0	0	0	109.9
215	G	93.6	Very high	95.8	Very high	23 Å²	23	55.7 Å²	55.7	24%	0.237	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-13.3	-176	0	0	0	0	0	116	W213 W217 N218	W213-G215 PolarHBondContact O-N 3.09Å; G215-W217 PolarHBondContact O-N 3.28Å; G215-W217 VanDerWaalsContact O-N 3.11Å; G215-N218 VanDerWaalsContact O-CB 3.28Å; G215-N218 WeakPolarHBondContact O-CB 3.44Å; G215-N218 PolarHBondContact O-N 3.12Å
216	S	95.7	Very high	95.8	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.007	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.8	-177.6	-70	0	0	0	0	114.7	Q93 W213	Q93-S216 PolarHBondContact OE1-OG 3.14Å; W213-S216 PolarHBondContact N-OG 3.36Å; W213-S216 WeakPolarHBondContact O-CB 3.44Å; W213-S216 PolarHBondContact O-N 3.36Å; W213-S216 VanDerWaalsContact O-N 3.08Å; W213-S216 PolarHBondContact O-OG 2.9Å
217	W	97.4	Very high	95.9	Very high	34 Å²	34	63.5 Å²	63.5	13%	0.129	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.4	176.9	-73.2	93.8	0	0	0	113.7	W35 K37 D85 L86 I89 G215 D219	W35-W217 VanDerWaalsContact O-CZ2 3.28Å; W35-W217 WeakPolarHBondContact O-CZ2 3.42Å; K37-W217 HydrophobicContact CB-CD2 3.91Å; K37-W217 HydrophobicContact CB-CE3 3.85Å; K37-W217 HydrophobicContact CB-CH2 4.02Å; K37-W217 HydrophobicContact CB-CZ2 4.08Å; K37-W217 HydrophobicContact CB-CZ3 3.91Å; K37-W217 HydrophobicContact CD-CB 4.15Å; K37-W217 HydrophobicContact CD-CD2 3.87Å; K37-W217 HydrophobicContact CD-CG 3.69Å; K37-W217 HydrophobicContact CG-CD2 3.95Å; K37-W217 HydrophobicContact CG-CE3 4.42Å; K37-W217 HydrophobicContact CG-CG 4.27Å; K37-W217 HydrophobicContact CG-CZ2 4.16Å; D85-W217 HydrophobicContact CB-CH2 3.69Å; D85-W217 HydrophobicContact CB-CZ3 3.57Å; L86-W217 HydrophobicContact CB-CH2 4.27Å; L86-W217 HydrophobicContact CB-CZ2 4.11Å; L86-W217 HydrophobicContact CD1-CZ2 4.1Å; I89-W217 HydrophobicContact CD1-CD2 3.45Å; I89-W217 VanDerWaalsContact CD1-CD2 3.45Å; I89-W217 VanDerWaalsContact CD1-CE2 3.49Å; I89-W217 HydrophobicContact CD1-CE3 3.73Å; I89-W217 HydrophobicContact CD1-CG 3.93Å; I89-W217 HydrophobicContact CD1-CH2 4.1Å; I89-W217 HydrophobicContact CD1-CZ2 3.83Å; I89-W217 HydrophobicContact CD1-CZ3 4.05Å; G215-W217 PolarHBondContact O-N 3.28Å; G215-W217 VanDerWaalsContact O-N 3.11Å; W217-D219 PolarHBondContact O-N 3.47Å
218	N	96.5	Very high	96.1	Very high	65 Å²	65	60.3 Å²	60.3	35%	0.348	33%	0.328	S	S	.	.			trans	-85	75.8	-174.3	-172.5	14.7	0	0	0	111.1	A136 G215 N220 L221	A136-N218 WeakPolarHBondContact CB-O 3.46Å; G215-N218 VanDerWaalsContact O-CB 3.28Å; G215-N218 WeakPolarHBondContact O-CB 3.44Å; G215-N218 PolarHBondContact O-N 3.12Å; N218-N220 PolarHBondContact O-N 2.92Å; N218-N220 WeakPolarHBondContact OD1-CB 3.38Å; N218-L221 HydrophobicContact CB-CD1 4.25Å; N218-L221 HydrophobicContact CB-CG 4.24Å; N218-L221 WeakPolarHBondContact O-CB 3.36Å; N218-L221 WeakPolarHBondContact O-CG 3.37Å; N218-L221 PolarHBondContact O-N 3.47Å; N218-L221 VanDerWaalsContact O-N 3.12Å
219	D	93.7	Very high	96.3	Very high	47 Å²	47	62.6 Å²	62.6	25%	0.251	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.5	178.5	62.9	-12.3	0	0	0	114	R129 L133 W217 L221 V222	R129-D219 IonicContact NH1-OD2 3.18Å; L133-D219 HydrophobicContact CD2-CB 4.25Å; W217-D219 PolarHBondContact O-N 3.47Å; D219-L221 PolarHBondContact O-N 3.16Å; D219-L221 VanDerWaalsContact O-N 3.1Å; D219-V222 VanDerWaalsContact O-CB 3.3Å; D219-V222 WeakPolarHBondContact O-CB 3.34Å; D219-V222 WeakPolarHBondContact O-CG2 3.49Å; D219-V222 PolarHBondContact O-N 2.93Å
220	N	96.1	Very high	96.6	Very high	100 Å²	100	65.1 Å²	65.1	54%	0.535	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.1	169.5	-62.2	-42.6	0	0	0	113.1	N218 V222 D223 T224	N218-N220 PolarHBondContact O-N 2.92Å; N218-N220 WeakPolarHBondContact OD1-CB 3.38Å; N220-V222 PolarHBondContact O-N 3.4Å; N220-D223 PolarHBondContact O-N 3.28Å; N220-D223 VanDerWaalsContact O-N 3.13Å; N220-T224 PolarHBondContact O-N 2.98Å; N220-T224 VanDerWaalsContact O-N 3.08Å; N220-T224 PolarHBondContact O-OG1 3.1Å
221	L	96.8	Very high	96.8	Very high	36 Å²	36	63.7 Å²	63.7	19%	0.188	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-28.5	173.8	-70.4	176.3	0	0	0	112.3	L139 A140 N218 D219 D223 T224 S225	L139-L221 HydrophobicContact CB-CB 4.2Å; L139-L221 HydrophobicContact CB-CD1 4.41Å; L139-L221 HydrophobicContact CD1-CB 4.26Å; A140-L221 HydrophobicContact CB-CD1 3.75Å; N218-L221 HydrophobicContact CB-CD1 4.25Å; N218-L221 HydrophobicContact CB-CG 4.24Å; N218-L221 WeakPolarHBondContact O-CB 3.36Å; N218-L221 WeakPolarHBondContact O-CG 3.37Å; N218-L221 PolarHBondContact O-N 3.47Å; N218-L221 VanDerWaalsContact O-N 3.12Å; D219-L221 PolarHBondContact O-N 3.16Å; D219-L221 VanDerWaalsContact O-N 3.1Å; L221-D223 PolarHBondContact O-N 3.3Å; L221-T224 WeakPolarHBondContact CA-OG1 3.43Å; L221-T224 PolarHBondContact O-N 2.92Å; L221-S225 WeakPolarHBondContact O-CB 3.4Å; L221-S225 PolarHBondContact O-N 3.2Å
222	V	95.9	Very high	96.9	Very high	6 Å²	6	60.6 Å²	60.6	4%	0.036	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-34.6	177.9	176.2	0	0	0	0	111.8	K132 A135 L139 L147 D219 N220	K132-V222 HydrophobicContact CB-CG2 4.17Å; K132-V222 HydrophobicContact CG-CG1 4.38Å; K132-V222 HydrophobicContact CG-CG2 4.37Å; K132-V222 WeakPolarHBondContact O-CG2 3.42Å; A135-V222 HydrophobicContact CB-CG2 3.94Å; L139-V222 HydrophobicContact CD1-CG2 4.42Å; L147-V222 HydrophobicContact CD2-CG1 3.4Å; L147-V222 VanDerWaalsContact CD2-CG1 3.4Å; L147-V222 HydrophobicContact CD2-CG2 4.43Å; D219-V222 VanDerWaalsContact O-CB 3.3Å; D219-V222 WeakPolarHBondContact O-CB 3.34Å; D219-V222 WeakPolarHBondContact O-CG2 3.49Å; D219-V222 PolarHBondContact O-N 2.93Å; N220-V222 PolarHBondContact O-N 3.4Å
223	D	95.4	Very high	96.9	Very high	117 Å²	117	67.7 Å²	67.7	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-95.1	-19.5	-176.8	-61.2	-45.1	0	0	0	112.5	K132 N220 L221	K132-D223 IonicContact NZ-OD2 3.93Å; N220-D223 PolarHBondContact O-N 3.28Å; N220-D223 VanDerWaalsContact O-N 3.13Å; L221-D223 PolarHBondContact O-N 3.3Å
224	T	96.9	Very high	96.9	Very high	103 Å²	103	67.3 Å²	67.3	63%	0.632	36%	0.356	S	S	*	.	H	α-helix	trans	-112.3	-22.4	-172.7	56.1	0	0	0	0	114.9	N220 L221	N220-T224 PolarHBondContact O-N 2.98Å; N220-T224 VanDerWaalsContact O-N 3.08Å; N220-T224 PolarHBondContact O-OG1 3.1Å; L221-T224 WeakPolarHBondContact CA-OG1 3.43Å; L221-T224 PolarHBondContact O-N 2.92Å
225	S	97.8	Very high	97.1	Very high	23 Å²	23	59.3 Å²	59.3	16%	0.161	31%	0.313	C	S	.	.			trans	-78.3	130.8	-176.2	-177.7	0	0	0	0	112	L221 L227 K228	L221-S225 WeakPolarHBondContact O-CB 3.4Å; L221-S225 PolarHBondContact O-N 3.2Å; S225-L227 PolarHBondContact O-N 2.95Å; S225-L227 PolarHBondContact OG-N 3.32Å; S225-K228 PolarHBondContact O-N 3.36Å
226	P	97.6	Very high	97.3	Very high	118 Å²	118	59.2 Å²	59.2	77%	0.766	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-11	174.2	31.3	-36.5	0	0	0	113.1	K228	P226-K228 VanDerWaalsContact C-N 3.33Å
227	L	98.3	Very high	97.5	Very high	54 Å²	54	66.4 Å²	66.4	28%	0.283	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.2	178.7	-64.3	180	0	0	0	112.9	L139 D142 P144 V145 S225	L139-L227 HydrophobicContact CD2-CB 3.66Å; D142-L227 HydrophobicContact CB-CD1 4.19Å; P144-L227 WeakPolarHBondContact CA-O 3.41Å; P144-L227 HydrophobicContact CG-CD2 4.44Å; V145-L227 PolarHBondContact N-O 3.01Å; S225-L227 PolarHBondContact O-N 2.95Å; S225-L227 PolarHBondContact OG-N 3.32Å
228	K	98.4	Very high	97.5	Very high	61 Å²	61	69.1 Å²	69.1	27%	0.265	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.1	173.2	-176.2	-94.4	173.5	172.9	0	110.2	L139 V145 L147 S225 P226	L139-K228 HydrophobicContact CD1-CB 4.23Å; L139-K228 HydrophobicContact CD2-CB 4.3Å; V145-K228 CarbonylContact O-C 3.54Å; V145-K228 WeakPolarHBondContact O-CA 3.31Å; L147-K228 HydrophobicContact CB-CG 4.45Å; S225-K228 PolarHBondContact O-N 3.36Å; P226-K228 VanDerWaalsContact C-N 3.33Å
229	R	98.3	Very high	97.6	Very high	144 Å²	144	66.2 Å²	66.2	54%	0.543	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.7	173.6	-64.2	178.4	-179.1	171.4	-0.1	109.5	V145 Y146 L147 P231	V145-R229 PolarHBondContact O-N 2.91Å; Y146-R229 CarbonylContact C-O 3.57Å; Y146-R229 VanDerWaalsContact CA-O 3.32Å; Y146-R229 WeakPolarHBondContact CA-O 3.31Å; Y146-R229 HydrophobicContact CD1-CB 3.79Å; Y146-R229 HydrophobicContact CE1-CB 4.12Å; Y146-R229 HydrophobicContact CE1-CG 4.49Å; L147-R229 PolarHBondContact N-O 3.37Å; R229-P231 WeakPolarHBondContact O-CD 3.4Å
230	D	98.5	Very high	97.8	Very high	70 Å²	70	64.7 Å²	64.7	37%	0.374	32%	0.322	S	S	.	.			trans	-96.7	112.4	170.2	177.7	18.7	0	0	0	109.8	S149 L232	S149-D230 WeakPolarHBondContact CB-OD2 3.47Å; S149-D230 PolarHBondContact N-OD1 3.18Å; S149-D230 VanDerWaalsContact OG-CG 3.28Å; S149-D230 PolarHBondContact OG-OD1 3.29Å; S149-D230 PolarHBondContact OG-OD2 3.36Å; D230-L232 VanDerWaalsContact OD1-CB 3.24Å; D230-L232 WeakPolarHBondContact OD1-CB 3.42Å; D230-L232 PolarHBondContact OD1-N 3.03Å
231	P	98.4	Very high	97.9	Very high	7 Å²	7	64.8 Å²	64.8	5%	0.045	32%	0.319	C	S	.	.			trans	-85.5	-4.2	-178.9	37.3	-38.9	0	0	0	113.6	F148 L164 R229 Q233 D234 I235	F148-P231 HydrophobicContact CD1-CG 3.8Å; F148-P231 HydrophobicContact CD2-CG 4.18Å; F148-P231 HydrophobicContact CE1-CB 4.43Å; F148-P231 HydrophobicContact CE1-CG 3.73Å; F148-P231 HydrophobicContact CE2-CG 4.1Å; F148-P231 HydrophobicContact CG-CG 4.04Å; F148-P231 HydrophobicContact CZ-CG 3.89Å; L164-P231 HydrophobicContact CD1-CB 3.81Å; R229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-Q233 PolarHBondContact O-N 3.27Å; P231-D234 PolarHBondContact O-N 2.86Å; P231-I235 HydrophobicContact CB-CG1 3.81Å; P231-I235 WeakPolarHBondContact O-CB 3.27Å; P231-I235 WeakPolarHBondContact O-CG1 3.47Å; P231-I235 PolarHBondContact O-N 2.75Å
232	L	98.5	Very high	98	Very high	26 Å²	26	63.9 Å²	63.9	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-52	-53.9	-164.1	179.2	58.6	0	0	0	114.3	F148 R150 V152 D230 C236	F148-L232 HydrophobicContact CD1-CB 3.93Å; F148-L232 HydrophobicContact CD1-CD1 3.92Å; F148-L232 HydrophobicContact CE1-CD1 4.34Å; R150-L232 HydrophobicContact CB-CD2 4.13Å; R150-L232 HydrophobicContact CG-CD2 4.28Å; V152-L232 HydrophobicContact CG1-CD1 3.68Å; D230-L232 VanDerWaalsContact OD1-CB 3.24Å; D230-L232 WeakPolarHBondContact OD1-CB 3.42Å; D230-L232 PolarHBondContact OD1-N 3.03Å; L232-C236 WeakPolarHBondContact O-CB 3.31Å; L232-C236 PolarHBondContact O-N 3.48Å
233	Q	98.2	Very high	98.1	Very high	170 Å²	170	64 Å²	64	79%	0.794	32%	0.315	S	S	*	.	H	α-helix	trans	-67.1	-43.5	-174	-169.1	-175.6	19.1	0	0	112.4	P231 R237	P231-Q233 PolarHBondContact O-N 3.27Å; Q233-R237 WeakPolarHBondContact O-CB 3.23Å; Q233-R237 PolarHBondContact O-N 3.46Å; Q233-R237 VanDerWaalsContact O-N 3.11Å
234	D	98.4	Very high	98.2	Very high	41 Å²	41	63 Å²	63	22%	0.219	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-46.3	179.1	-178.8	46	0	0	0	110.9	P231 R237 R238	P231-D234 PolarHBondContact O-N 2.86Å; D234-R237 PolarHBondContact O-N 3.29Å; D234-R237 IonicContact OD1-CZ 2.68Å; D234-R237 IonicContact OD1-NH1 2.83Å; D234-R237 IonicContact OD1-NH2 2.65Å; D234-R237 PolarHBondContact OD1-NH2 2.9Å; D234-R238 VanDerWaalsContact CG-NE 3.26Å; D234-R238 VanDerWaalsContact O-CG 3.29Å; D234-R238 WeakPolarHBondContact O-CG 3.15Å; D234-R238 PolarHBondContact O-N 2.98Å; D234-R238 IonicContact OD1-CZ 2.75Å; D234-R238 IonicContact OD1-NE 2.82Å; D234-R238 PolarHBondContact OD1-NE 3.38Å; D234-R238 IonicContact OD1-NH2 3.84Å; D234-R238 PolarHBondContact OD1-NH2 3.34Å; D234-R238 IonicContact OD2-CZ 3.48Å; D234-R238 IonicContact OD2-NE 2.78Å; D234-R238 PolarHBondContact OD2-NE 3.23Å; D234-R238 IonicContact OD2-NH2 3.92Å; D234-R238 PolarHBondContact OD2-NH2 3.49Å
235	I	98.6	Very high	98.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-46.2	179.9	-69.1	-56.3	0	0	0	111.6	F148 F156 Y159 A160 K163 L164 P231 R237 R238 Y239	F148-I235 HydrophobicContact CE1-CB 4.16Å; F148-I235 HydrophobicContact CE1-CG2 4.13Å; F148-I235 HydrophobicContact CZ-CB 4.36Å; F148-I235 HydrophobicContact CZ-CG1 4.44Å; F148-I235 HydrophobicContact CZ-CG2 4.05Å; F156-I235 HydrophobicContact CD2-CG2 3.75Å; F156-I235 HydrophobicContact CE2-CG2 4.2Å; F156-I235 HydrophobicContact CG-CG2 4.3Å; Y159-I235 HydrophobicContact CD1-CG2 3.92Å; Y159-I235 HydrophobicContact CE1-CG2 4.39Å; A160-I235 HydrophobicContact CB-CD1 3.75Å; A160-I235 HydrophobicContact CB-CG1 3.79Å; A160-I235 HydrophobicContact CB-CG2 4.22Å; K163-I235 HydrophobicContact CB-CD1 4.04Å; L164-I235 HydrophobicContact CD1-CD1 4.28Å; L164-I235 HydrophobicContact CD1-CG1 4.44Å; L164-I235 HydrophobicContact CD2-CD1 4.45Å; L164-I235 HydrophobicContact CG-CD1 4.12Å; P231-I235 HydrophobicContact CB-CG1 3.81Å; P231-I235 WeakPolarHBondContact O-CB 3.27Å; P231-I235 WeakPolarHBondContact O-CG1 3.47Å; P231-I235 PolarHBondContact O-N 2.75Å; I235-R237 VanDerWaalsContact C-N 3.34Å; I235-R237 PolarHBondContact O-N 3.23Å; I235-R238 PolarHBondContact O-N 3.19Å; I235-Y239 VanDerWaalsContact O-CB 3.24Å; I235-Y239 WeakPolarHBondContact O-CB 3.4Å; I235-Y239 PolarHBondContact O-N 3.16Å
236	C	98.5	Very high	98.2	Very high	21 Å²	21	64.3 Å²	64.3	14%	0.142	30%	0.299	C	S	.	.	H	α-helix	trans	-57.7	-48.3	176.9	-173.9	0	0	0	0	110.9	F156 L232 R238 Y239 M240	F156-C236 HydrophobicContact CE2-CB 3.84Å; F156-C236 HydrophobicContact CZ-CB 4.25Å; L232-C236 WeakPolarHBondContact O-CB 3.31Å; L232-C236 PolarHBondContact O-N 3.48Å; C236-R238 PolarHBondContact O-N 2.95Å; C236-Y239 PolarHBondContact O-N 2.84Å; C236-M240 WeakPolarHBondContact O-CB 3.44Å; C236-M240 WeakPolarHBondContact O-CG 3.46Å; C236-M240 PolarHBondContact O-N 3.31Å
237	R	98.6	Very high	98.2	Very high	151 Å²	151	59.8 Å²	59.8	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-58.9	-47.2	177.4	176.6	176.7	48.8	70	2.3	112.1	Q233 D234 I235 E241	Q233-R237 WeakPolarHBondContact O-CB 3.23Å; Q233-R237 PolarHBondContact O-N 3.46Å; Q233-R237 VanDerWaalsContact O-N 3.11Å; D234-R237 PolarHBondContact O-N 3.29Å; D234-R237 IonicContact OD1-CZ 2.68Å; D234-R237 IonicContact OD1-NH1 2.83Å; D234-R237 IonicContact OD1-NH2 2.65Å; D234-R237 PolarHBondContact OD1-NH2 2.9Å; I235-R237 VanDerWaalsContact C-N 3.34Å; I235-R237 PolarHBondContact O-N 3.23Å; R237-E241 WeakPolarHBondContact O-CB 3.43Å; R237-E241 PolarHBondContact O-N 3.13Å
238	R	98.6	Very high	98.2	Very high	92 Å²	92	59.8 Å²	59.8	35%	0.347	27%	0.268	S	S	.	.	H	α-helix	trans	-65.2	-43.5	-179.7	-70.4	178.1	-168	-149.5	12	111.7	Y159 D234 I235 C236 E241 D242	Y159-R238 HydrophobicContact CE1-CB 3.98Å; Y159-R238 WeakPolarHBondContact OH-CB 3.38Å; Y159-R238 PolarHBondContact OH-O 2.94Å; D234-R238 VanDerWaalsContact CG-NE 3.26Å; D234-R238 VanDerWaalsContact O-CG 3.29Å; D234-R238 WeakPolarHBondContact O-CG 3.15Å; D234-R238 PolarHBondContact O-N 2.98Å; D234-R238 IonicContact OD1-CZ 2.75Å; D234-R238 IonicContact OD1-NE 2.82Å; D234-R238 PolarHBondContact OD1-NE 3.38Å; D234-R238 IonicContact OD1-NH2 3.84Å; D234-R238 PolarHBondContact OD1-NH2 3.34Å; D234-R238 IonicContact OD2-CZ 3.48Å; D234-R238 IonicContact OD2-NE 2.78Å; D234-R238 PolarHBondContact OD2-NE 3.23Å; D234-R238 IonicContact OD2-NH2 3.92Å; D234-R238 PolarHBondContact OD2-NH2 3.49Å; I235-R238 PolarHBondContact O-N 3.19Å; C236-R238 PolarHBondContact O-N 2.95Å; R238-E241 WeakPolarHBondContact O-CB 3.34Å; R238-E241 PolarHBondContact O-N 3.04Å; R238-D242 PolarHBondContact O-N 2.94Å
239	Y	98.6	Very high	98.1	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-49.2	177.9	173.6	-93.7	0	0	0	110.9	F156 Y159 I235 C236 E241 D242 L243 V445 D449 V451	F156-Y239 HydrophobicContact CD1-CG 4.47Å; F156-Y239 AromaticContact CE1-CD1 3.59Å; F156-Y239 HydrophobicContact CE1-CD1 3.59Å; F156-Y239 HydrophobicContact CE1-CD2 4.29Å; F156-Y239 AromaticContact CE1-CE1 3.87Å; F156-Y239 HydrophobicContact CE1-CE1 3.87Å; F156-Y239 AromaticContact CE1-CG 3.82Å; F156-Y239 HydrophobicContact CE1-CG 3.82Å; F156-Y239 AromaticContact CZ-CD1 3.91Å; F156-Y239 HydrophobicContact CZ-CD1 3.91Å; F156-Y239 HydrophobicContact CZ-CG 4.19Å; Y159-Y239 HydrophobicContact CD1-CD2 4.44Å; Y159-Y239 HydrophobicContact CD2-CD2 4.18Å; Y159-Y239 HydrophobicContact CE2-CD2 4.37Å; Y159-Y239 HydrophobicContact CG-CD2 4.21Å; Y159-Y239 VanDerWaalsContact CZ-CA 3.48Å; Y159-Y239 WeakPolarHBondContact OH-CA 3.33Å; Y159-Y239 PolarHBondContact OH-N 3.4Å; I235-Y239 VanDerWaalsContact O-CB 3.24Å; I235-Y239 WeakPolarHBondContact O-CB 3.4Å; I235-Y239 PolarHBondContact O-N 3.16Å; C236-Y239 PolarHBondContact O-N 2.84Å; Y239-E241 VanDerWaalsContact C-N 3.27Å; Y239-E241 PolarHBondContact O-N 3.41Å; Y239-D242 PolarHBondContact O-N 3.16Å; Y239-D242 VanDerWaalsContact O-N 3.14Å; Y239-L243 HydrophobicContact CD1-CD1 4.26Å; Y239-L243 HydrophobicContact CD1-CG 4.37Å; Y239-L243 HydrophobicContact CE1-CD1 3.61Å; Y239-L243 HydrophobicContact CE1-CD2 4.31Å; Y239-L243 HydrophobicContact CE1-CG 3.93Å; Y239-L243 HydrophobicContact CE2-CD2 4.46Å; Y239-L243 PolarHBondContact O-N 3.19Å; Y239-V445 HydrophobicContact CD2-CG2 4.29Å; Y239-V445 HydrophobicContact CE2-CG2 3.9Å; Y239-D449 VanDerWaalsContact CE2-OD2 3.27Å; Y239-D449 WeakPolarHBondContact CE2-OD2 3.48Å; Y239-D449 PolarHBondContact OH-OD1 3.33Å; Y239-D449 PolarHBondContact OH-OD2 3.3Å; Y239-V451 HydrophobicContact CE1-CG1 4.16Å
240	M	98.4	Very high	98.1	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-32	176.3	-66.6	-60.5	165.8	0	0	112.6	C236 L243 Y272 L275 A276 V279	C236-M240 WeakPolarHBondContact O-CB 3.44Å; C236-M240 WeakPolarHBondContact O-CG 3.46Å; C236-M240 PolarHBondContact O-N 3.31Å; M240-L243 HydrophobicContact SD-CD1 4.03Å; M240-Y272 HydrophobicContact CE-CD1 4.29Å; M240-Y272 WeakPolarHBondContact CE-O 3.21Å; M240-L275 HydrophobicContact CE-CB 3.48Å; M240-L275 VanDerWaalsContact CE-CB 3.48Å; M240-L275 HydrophobicContact CE-CD1 4.02Å; M240-L275 HydrophobicContact CE-CG 4.42Å; M240-L275 HydrophobicContact CG-CB 4.46Å; M240-L275 HydrophobicContact SD-CB 3.77Å; M240-A276 HydrophobicContact SD-CB 4.37Å; M240-V279 HydrophobicContact CB-CG2 3.82Å; M240-V279 HydrophobicContact CG-CG2 4.39Å; M240-V279 VanDerWaalsContact O-CG1 3.23Å; M240-V279 WeakPolarHBondContact O-CG1 3.48Å; M240-V279 HydrophobicContact SD-CG2 4.11Å
241	E	98.3	Very high	98.1	Very high	101 Å²	101	62 Å²	62	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-69.3	-44.4	172.6	-169.9	62.1	-147.8	0	0	111.8	R237 R238 Y239 L243 K244	R237-E241 WeakPolarHBondContact O-CB 3.43Å; R237-E241 PolarHBondContact O-N 3.13Å; R238-E241 WeakPolarHBondContact O-CB 3.34Å; R238-E241 PolarHBondContact O-N 3.04Å; Y239-E241 VanDerWaalsContact C-N 3.27Å; Y239-E241 PolarHBondContact O-N 3.41Å; E241-L243 VanDerWaalsContact C-N 3.27Å; E241-L243 PolarHBondContact O-N 3.1Å; E241-K244 VanDerWaalsContact O-CB 3.31Å; E241-K244 WeakPolarHBondContact O-CB 3.24Å; E241-K244 WeakPolarHBondContact O-CG 3.36Å; E241-K244 PolarHBondContact O-N 3.48Å; E241-K244 VanDerWaalsContact O-N 3.11Å; E241-K244 WeakPolarHBondContact OE1-CD 3.25Å; E241-K244 IonicContact OE1-NZ 2.78Å; E241-K244 PolarHBondContact OE1-NZ 3.18Å; E241-K244 VanDerWaalsContact OE2-CE 3.27Å; E241-K244 WeakPolarHBondContact OE2-CE 3.32Å; E241-K244 IonicContact OE2-NZ 2.76Å; E241-K244 PolarHBondContact OE2-NZ 3.05Å
242	D	98	Very high	98	Very high	18 Å²	18	64.2 Å²	64.2	10%	0.096	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-30.7	178.9	-86.8	-19.3	0	0	0	112.3	Y159 K163 R238 Y239 K244 K245	Y159-D242 HydrophobicContact CE2-CB 4.29Å; Y159-D242 VanDerWaalsContact CE2-OD2 3.24Å; Y159-D242 WeakPolarHBondContact CE2-OD2 3.32Å; Y159-D242 PolarHBondContact OH-OD2 3.36Å; K163-D242 VanDerWaalsContact CE-OD2 3.31Å; K163-D242 WeakPolarHBondContact CE-OD2 3.44Å; K163-D242 IonicContact NZ-OD2 3.27Å; K163-D242 PolarHBondContact NZ-OD2 3.24Å; R238-D242 PolarHBondContact O-N 2.94Å; Y239-D242 PolarHBondContact O-N 3.16Å; Y239-D242 VanDerWaalsContact O-N 3.14Å; D242-K244 PolarHBondContact O-N 2.61Å; D242-K245 VanDerWaalsContact O-CB 3.29Å; D242-K245 WeakPolarHBondContact O-CB 2.99Å; D242-K245 WeakPolarHBondContact O-CG 3.29Å; D242-K245 PolarHBondContact O-N 2.84Å; D242-K245 VanDerWaalsContact O-N 3.07Å; D242-K245 WeakPolarHBondContact OD1-CE 3.46Å; D242-K245 IonicContact OD1-NZ 2.74Å; D242-K245 PolarHBondContact OD1-NZ 3.14Å
243	L	98	Very high	98	Very high	8 Å²	8	63 Å²	63	4%	0.042	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59	-25.3	173.3	-75.8	-171.1	0	0	0	113.2	Y239 M240 E241 K245 I246 A276 V279 F280	Y239-L243 HydrophobicContact CD1-CD1 4.26Å; Y239-L243 HydrophobicContact CD1-CG 4.37Å; Y239-L243 HydrophobicContact CE1-CD1 3.61Å; Y239-L243 HydrophobicContact CE1-CD2 4.31Å; Y239-L243 HydrophobicContact CE1-CG 3.93Å; Y239-L243 HydrophobicContact CE2-CD2 4.46Å; Y239-L243 PolarHBondContact O-N 3.19Å; M240-L243 HydrophobicContact SD-CD1 4.03Å; E241-L243 VanDerWaalsContact C-N 3.27Å; E241-L243 PolarHBondContact O-N 3.1Å; L243-K245 PolarHBondContact O-N 2.97Å; L243-I246 HydrophobicContact CD2-CD1 4.12Å; L243-I246 WeakPolarHBondContact O-CG1 3.14Å; L243-I246 PolarHBondContact O-N 3.03Å; L243-A276 HydrophobicContact CD1-CB 3.79Å; L243-V279 HydrophobicContact CB-CG1 4.01Å; L243-F280 HydrophobicContact CB-CE2 4.3Å
244	K	97.6	Very high	98	Very high	97 Å²	97	58.2 Å²	58.2	42%	0.422	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.3	176	-62.8	179.7	-172.5	167.8	0	112.9	E241 D242 I246 C247 V279	E241-K244 VanDerWaalsContact O-CB 3.31Å; E241-K244 WeakPolarHBondContact O-CB 3.24Å; E241-K244 WeakPolarHBondContact O-CG 3.36Å; E241-K244 PolarHBondContact O-N 3.48Å; E241-K244 VanDerWaalsContact O-N 3.11Å; E241-K244 WeakPolarHBondContact OE1-CD 3.25Å; E241-K244 IonicContact OE1-NZ 2.78Å; E241-K244 PolarHBondContact OE1-NZ 3.18Å; E241-K244 VanDerWaalsContact OE2-CE 3.27Å; E241-K244 WeakPolarHBondContact OE2-CE 3.32Å; E241-K244 IonicContact OE2-NZ 2.76Å; E241-K244 PolarHBondContact OE2-NZ 3.05Å; D242-K244 PolarHBondContact O-N 2.61Å; K244-I246 PolarHBondContact O-N 2.89Å; K244-C247 PolarHBondContact O-N 3.29Å; K244-V279 HydrophobicContact CG-CG1 3.66Å
245	K	96.8	Very high	98	Very high	139 Å²	139	63.9 Å²	63.9	60%	0.604	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-64.7	-21.7	179	-65.3	170.1	174.3	165.6	0	113	D242 L243	D242-K245 VanDerWaalsContact O-CB 3.29Å; D242-K245 WeakPolarHBondContact O-CB 2.99Å; D242-K245 WeakPolarHBondContact O-CG 3.29Å; D242-K245 PolarHBondContact O-N 2.84Å; D242-K245 VanDerWaalsContact O-N 3.07Å; D242-K245 WeakPolarHBondContact OD1-CE 3.46Å; D242-K245 IonicContact OD1-NZ 2.74Å; D242-K245 PolarHBondContact OD1-NZ 3.14Å; L243-K245 PolarHBondContact O-N 2.97Å
246	I	97.1	Very high	97.9	Very high	14 Å²	14	65 Å²	65	7%	0.072	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-113.3	14.2	179.5	58.6	163.5	0	0	0	112.3	L243 K244 F248 F280 M365 C441 V456	L243-I246 HydrophobicContact CD2-CD1 4.12Å; L243-I246 WeakPolarHBondContact O-CG1 3.14Å; L243-I246 PolarHBondContact O-N 3.03Å; K244-I246 PolarHBondContact O-N 2.89Å; I246-F248 WeakPolarHBondContact O-CE2 3.32Å; I246-F280 HydrophobicContact CD1-CZ 4.49Å; I246-F280 HydrophobicContact CG1-CZ 4.08Å; I246-F280 WeakPolarHBondContact O-CZ 3.3Å; I246-M365 HydrophobicContact CG2-CE 4.28Å; I246-C441 HydrophobicContact CD1-CB 4.03Å; I246-V456 HydrophobicContact CD1-CG2 3.94Å
247	C	98.1	Very high	97.8	Very high	23 Å²	23	69.7 Å²	69.7	16%	0.155	32%	0.324	C	S	.	.			trans	-100.9	112.2	171.6	178.9	0	0	0	0	109.1	K244 F280 E459	K244-C247 PolarHBondContact O-N 3.29Å; C247-F280 HydrophobicContact CB-CD1 3.91Å; C247-F280 HydrophobicContact CB-CD2 3.99Å; C247-F280 HydrophobicContact CB-CE1 3.76Å; C247-F280 HydrophobicContact CB-CE2 3.81Å; C247-F280 HydrophobicContact CB-CG 4.04Å; C247-F280 HydrophobicContact CB-CZ 3.71Å; C247-E459 PolarHBondContact SG-OE2 2.85Å
248	F	97.6	Very high	97.7	Very high	54 Å²	54	63.3 Å²	63.3	24%	0.237	30%	0.301	C	S	.	.	S	Bend	trans	-102.1	-23.9	-172.5	-58.1	-76.2	0	0	0	113.2	I246 W364 C368 E459	I246-F248 WeakPolarHBondContact O-CE2 3.32Å; F248-W364 HydrophobicContact CD2-CZ2 4.46Å; F248-C368 HydrophobicContact CB-CB 4.42Å; F248-C368 HydrophobicContact CD1-CB 3.79Å; F248-C368 HydrophobicContact CD2-CB 3.53Å; F248-C368 VanDerWaalsContact CD2-SG 3.59Å; F248-C368 HydrophobicContact CE1-CB 3.82Å; F248-C368 HydrophobicContact CE2-CB 3.56Å; F248-C368 HydrophobicContact CG-CB 3.64Å; F248-C368 HydrophobicContact CZ-CB 3.71Å; F248-E459 PolarHBondContact N-OE1 3.11Å; F248-E459 PolarHBondContact N-OE2 3.22Å; F248-E459 VanDerWaalsContact N-OE2 3.16Å
249	Y	97.8	Very high	97.7	Very high	51 Å²	51	63.2 Å²	63.2	20%	0.2	30%	0.303	C	S	.	.			trans	-131.3	40.2	-171.2	-60.9	-83.8	0	0	0	112.9	E251 L252 N253 W364 K371 E459 Y463	Y249-E251 VanDerWaalsContact C-N 3.28Å; Y249-E251 PolarHBondContact O-N 3.12Å; Y249-E251 VanDerWaalsContact O-N 3.12Å; Y249-L252 WeakPolarHBondContact O-CA 3.36Å; Y249-L252 VanDerWaalsContact O-CB 3.25Å; Y249-L252 WeakPolarHBondContact O-CB 3.39Å; Y249-L252 PolarHBondContact O-N 3.33Å; Y249-N253 PolarHBondContact O-N 3.05Å; Y249-N253 PolarHBondContact O-ND2 3.24Å; Y249-N253 PolarHBondContact O-OD1 3.43Å; Y249-W364 AromaticContact CD2-CH2 3.42Å; Y249-W364 HydrophobicContact CD2-CH2 3.42Å; Y249-W364 VanDerWaalsContact CD2-CH2 3.42Å; Y249-W364 AromaticContact CD2-CZ2 3.73Å; Y249-W364 HydrophobicContact CD2-CZ2 3.73Å; Y249-W364 AromaticContact CE2-CH2 3.31Å; Y249-W364 HydrophobicContact CE2-CH2 3.31Å; Y249-W364 AromaticContact CE2-CZ2 3.8Å; Y249-W364 HydrophobicContact CE2-CZ2 3.8Å; Y249-W364 HydrophobicContact CE2-CZ3 4.12Å; Y249-K371 PolarHBondContact OH-NZ 2.94Å; Y249-E459 HydrophobicContact CD2-CG 4.34Å; Y249-E459 PolarHBondContact N-OE2 3.07Å; Y249-Y463 HydrophobicContact CD1-CD2 4.06Å; Y249-Y463 HydrophobicContact CD1-CE2 4.38Å; Y249-Y463 HydrophobicContact CD2-CD2 4.04Å; Y249-Y463 AromaticContact CE1-CD2 3.78Å; Y249-Y463 HydrophobicContact CE1-CD2 3.78Å; Y249-Y463 AromaticContact CE1-CE2 3.67Å; Y249-Y463 HydrophobicContact CE1-CE2 3.67Å; Y249-Y463 AromaticContact CE2-CD2 3.77Å; Y249-Y463 HydrophobicContact CE2-CD2 3.77Å; Y249-Y463 HydrophobicContact CE2-CE2 4.01Å; Y249-Y463 HydrophobicContact CE2-CG 4.47Å; Y249-Y463 HydrophobicContact CG-CD2 4.17Å; Y249-Y463 AromaticContact CZ-CD2 3.63Å; Y249-Y463 AromaticContact CZ-CE2 3.44Å; Y249-Y463 VanDerWaalsContact CZ-CE2 3.44Å; Y249-Y463 WeakPolarHBondContact OH-CE2 3.44Å
250	R	97.9	Very high	97.7	Very high	122 Å²	122	63.4 Å²	63.4	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-48.4	-43.7	-177.7	-174.8	170.6	173	70.9	6.9	114.8	N253 S254 K278 V279 F280	R250-N253 PolarHBondContact O-N 2.75Å; R250-S254 PolarHBondContact O-N 3.33Å; R250-S254 VanDerWaalsContact O-N 3.13Å; R250-K278 PolarHBondContact NH1-O 3.27Å; R250-K278 PolarHBondContact NH2-O 3.12Å; R250-V279 PolarHBondContact NH1-O 2.84Å; R250-F280 WeakPolarHBondContact CA-O 3.29Å; R250-F280 VanDerWaalsContact NH1-C 3.3Å
251	E	97.7	Very high	97.7	Very high	149 Å²	149	62.7 Å²	62.7	70%	0.696	30%	0.3	S	S	*	.	H	α-helix	trans	-66.7	-38.9	179.4	-66.7	-172.3	176.6	0	0	112.2	Y249 S254	Y249-E251 VanDerWaalsContact C-N 3.28Å; Y249-E251 PolarHBondContact O-N 3.12Å; Y249-E251 VanDerWaalsContact O-N 3.12Å; E251-S254 PolarHBondContact O-N 2.87Å; E251-S254 PolarHBondContact O-OG 2.97Å
252	L	97.7	Very high	97.7	Very high	52 Å²	52	57.9 Å²	57.9	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-48.3	175.3	-171.6	81.9	0	0	0	110.4	Y249 S254 K255 T256 Y463 T466	Y249-L252 WeakPolarHBondContact O-CA 3.36Å; Y249-L252 VanDerWaalsContact O-CB 3.25Å; Y249-L252 WeakPolarHBondContact O-CB 3.39Å; Y249-L252 PolarHBondContact O-N 3.33Å; L252-S254 PolarHBondContact O-N 3.01Å; L252-K255 PolarHBondContact O-N 2.53Å; L252-T256 PolarHBondContact O-N 3.04Å; L252-Y463 HydrophobicContact CD2-CD2 4.43Å; L252-T466 HydrophobicContact CD1-CG2 3.46Å; L252-T466 VanDerWaalsContact CD1-CG2 3.46Å; L252-T466 HydrophobicContact CD2-CG2 3.75Å; L252-T466 HydrophobicContact CG-CG2 4.06Å
253	N	98.3	Very high	97.7	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-55.3	-38.6	179.3	-61.8	-14.5	0	0	0	111.6	Y249 R250 K255 T256 F280 F282 E459	Y249-N253 PolarHBondContact O-N 3.05Å; Y249-N253 PolarHBondContact O-ND2 3.24Å; Y249-N253 PolarHBondContact O-OD1 3.43Å; R250-N253 PolarHBondContact O-N 2.75Å; N253-K255 PolarHBondContact O-N 3.21Å; N253-T256 VanDerWaalsContact O-CG2 3.25Å; N253-T256 WeakPolarHBondContact O-CG2 3.47Å; N253-T256 PolarHBondContact O-N 3.27Å; N253-F280 WeakPolarHBondContact CB-O 3.28Å; N253-F280 PolarHBondContact ND2-O 3.28Å; N253-F282 HydrophobicContact CB-CD1 3.76Å; N253-F282 HydrophobicContact CB-CD2 4.08Å; N253-F282 HydrophobicContact CB-CE1 3.41Å; N253-F282 VanDerWaalsContact CB-CE1 3.41Å; N253-F282 HydrophobicContact CB-CE2 3.76Å; N253-F282 HydrophobicContact CB-CG 4.08Å; N253-F282 HydrophobicContact CB-CZ 3.42Å; N253-F282 VanDerWaalsContact CB-CZ 3.42Å; N253-F282 WeakPolarHBondContact O-CD1 3.1Å; N253-F282 VanDerWaalsContact OD1-CZ 3.25Å; N253-F282 WeakPolarHBondContact OD1-CZ 3.38Å; N253-E459 PolarHBondContact ND2-OE2 3.08Å
254	S	97.9	Very high	97.7	Very high	70 Å²	70	56.7 Å²	56.7	49%	0.49	27%	0.272	S	S	.	.	H	α-helix	trans	-67.4	-21.1	178.3	75.4	0	0	0	0	114.8	R250 E251 L252 G281	R250-S254 PolarHBondContact O-N 3.33Å; R250-S254 VanDerWaalsContact O-N 3.13Å; E251-S254 PolarHBondContact O-N 2.87Å; E251-S254 PolarHBondContact O-OG 2.97Å; L252-S254 PolarHBondContact O-N 3.01Å; S254-G281 WeakPolarHBondContact CA-O 3.32Å; S254-G281 WeakPolarHBondContact CB-O 3.5Å
255	K	97.6	Very high	97.6	Very high	160 Å²	160	52.1 Å²	52.1	70%	0.696	25%	0.252	S	S	*	.	H	α-helix	trans	-100.7	-6.3	-179.2	-64	172.9	-174	169.8	0	112.7	L252 N253	L252-K255 PolarHBondContact O-N 2.53Å; N253-K255 PolarHBondContact O-N 3.21Å
256	T	97.1	Very high	97.5	Very high	22 Å²	22	45.9 Å²	45.9	14%	0.135	23%	0.225	C	C	.	.			trans	-61.4	144.1	-179.2	-165.7	0	0	0	0	111.4	L252 N253 L258 F282 S462 E465	L252-T256 PolarHBondContact O-N 3.04Å; N253-T256 VanDerWaalsContact O-CG2 3.25Å; N253-T256 WeakPolarHBondContact O-CG2 3.47Å; N253-T256 PolarHBondContact O-N 3.27Å; T256-L258 HydrophobicContact CG2-CB 4.48Å; T256-L258 VanDerWaalsContact OG1-CB 3.25Å; T256-L258 WeakPolarHBondContact OG1-CB 3.19Å; T256-L258 PolarHBondContact OG1-N 3.01Å; T256-L258 VanDerWaalsContact OG1-N 3.08Å; T256-F282 HydrophobicContact CG2-CD1 3.62Å; T256-F282 HydrophobicContact CG2-CE1 3.66Å; T256-S462 VanDerWaalsContact CB-OG 3.31Å; T256-S462 WeakPolarHBondContact CB-OG 3.36Å; T256-S462 PolarHBondContact OG1-OG 3.32Å; T256-E465 PolarHBondContact OG1-OE2 2.84Å; T256-E465 VanDerWaalsContact OG1-OE2 3.11Å
257	T	95.8	Very high	97.5	Very high	121 Å²	121	45.3 Å²	45.3	74%	0.742	22%	0.222	S	C	*	.			trans	-97.8	-7.9	167.1	51.4	0	0	0	0	112.1	K259	T257-K259 PolarHBondContact O-N 2.81Å
258	L	96.8	Very high	97.5	Very high	16 Å²	16	44.3 Å²	44.3	8%	0.084	22%	0.215	C	C	.	.			trans	-61.1	129.1	179.4	-167.8	62.1	0	0	0	110.3	T256 F260 R326 I327 A461	T256-L258 HydrophobicContact CG2-CB 4.48Å; T256-L258 VanDerWaalsContact OG1-CB 3.25Å; T256-L258 WeakPolarHBondContact OG1-CB 3.19Å; T256-L258 PolarHBondContact OG1-N 3.01Å; T256-L258 VanDerWaalsContact OG1-N 3.08Å; L258-F260 HydrophobicContact CB-CE2 4.07Å; L258-F260 HydrophobicContact CB-CZ 4.13Å; L258-F260 HydrophobicContact CD2-CE1 3.72Å; L258-F260 HydrophobicContact CD2-CE2 4.15Å; L258-F260 HydrophobicContact CD2-CZ 3.37Å; L258-F260 HydrophobicContact CG-CE1 4.21Å; L258-F260 HydrophobicContact CG-CE2 4.05Å; L258-F260 HydrophobicContact CG-CZ 3.76Å; L258-F260 WeakPolarHBondContact O-CE2 3.36Å; L258-R326 HydrophobicContact CD1-CB 3.77Å; L258-I327 HydrophobicContact CD2-CG1 4.08Å; L258-A461 HydrophobicContact CD2-CB 3.65Å
259	K	97.9	Very high	97.5	Very high	90 Å²	90	41.8 Å²	41.8	39%	0.391	20%	0.204	S	C	.	.			trans	-98.2	142.9	174.4	-65.6	178.5	-178.6	-173.1	0	110.1	T257 I286 E323 A325 R326	T257-K259 PolarHBondContact O-N 2.81Å; K259-I286 HydrophobicContact CB-CD1 4.45Å; K259-I286 HydrophobicContact CD-CD1 4.26Å; K259-E323 WeakPolarHBondContact CD-O 3.19Å; K259-E323 PolarHBondContact NZ-O 2.72Å; K259-A325 HydrophobicContact CB-CB 3.7Å; K259-A325 WeakPolarHBondContact O-CB 3.31Å; K259-R326 PolarHBondContact O-N 2.84Å
260	F	98.8	Very high	97.5	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.5	179.8	-58.1	-90	0	0	0	108.9	L258 F277 F282 P285 I286 I327 L329 A458 A461	L258-F260 HydrophobicContact CB-CE2 4.07Å; L258-F260 HydrophobicContact CB-CZ 4.13Å; L258-F260 HydrophobicContact CD2-CE1 3.72Å; L258-F260 HydrophobicContact CD2-CE2 4.15Å; L258-F260 HydrophobicContact CD2-CZ 3.37Å; L258-F260 HydrophobicContact CG-CE1 4.21Å; L258-F260 HydrophobicContact CG-CE2 4.05Å; L258-F260 HydrophobicContact CG-CZ 3.76Å; L258-F260 WeakPolarHBondContact O-CE2 3.36Å; F260-F277 HydrophobicContact CB-CE1 3.96Å; F260-F277 HydrophobicContact CB-CZ 4.1Å; F260-F277 HydrophobicContact CD1-CZ 4.49Å; F260-F277 AromaticContact CD2-CE1 3.79Å; F260-F277 HydrophobicContact CD2-CE1 3.79Å; F260-F277 HydrophobicContact CD2-CZ 4.5Å; F260-F277 HydrophobicContact CE2-CE1 4.45Å; F260-F277 AromaticContact CG-CE1 3.84Å; F260-F277 HydrophobicContact CG-CE1 3.84Å; F260-F277 HydrophobicContact CG-CZ 4.12Å; F260-F282 HydrophobicContact CE2-CD1 4.3Å; F260-F282 HydrophobicContact CE2-CE1 4.22Å; F260-F282 HydrophobicContact CZ-CE1 4.5Å; F260-P285 HydrophobicContact CB-CB 3.99Å; F260-P285 CarbonylContact O-C 3.49Å; F260-P285 WeakPolarHBondContact O-CA 3.32Å; F260-I286 PolarHBondContact O-N 2.87Å; F260-I327 CarbonylContact C-O 3.55Å; F260-I327 WeakPolarHBondContact CA-O 3.45Å; F260-I327 HydrophobicContact CD1-CB 3.61Å; F260-I327 HydrophobicContact CD1-CG1 4.18Å; F260-I327 HydrophobicContact CD1-CG2 3.77Å; F260-I327 HydrophobicContact CE1-CB 3.93Å; F260-I327 HydrophobicContact CE1-CG1 3.97Å; F260-I327 HydrophobicContact CE1-CG2 4.11Å; F260-L329 HydrophobicContact CD1-CD1 4.4Å; F260-A458 HydrophobicContact CD1-CB 4.04Å; F260-A458 HydrophobicContact CE1-CB 3.64Å; F260-A458 HydrophobicContact CE2-CB 4.31Å; F260-A458 HydrophobicContact CZ-CB 3.76Å; F260-A461 HydrophobicContact CE1-CB 4.23Å
261	V	98.9	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.5	166.9	165.8	0	0	0	0	109	I286 V288 L319 A320 A325 I327 V328 L329	V261-I286 CarbonylContact C-O 3.57Å; V261-I286 VanDerWaalsContact CA-O 3.28Å; V261-I286 WeakPolarHBondContact CA-O 3.32Å; V261-I286 HydrophobicContact CG2-CB 4.14Å; V261-V288 HydrophobicContact CG1-CG2 3.76Å; V261-L319 HydrophobicContact CG1-CD2 4.13Å; V261-L319 HydrophobicContact CG2-CD2 4.35Å; V261-L319 HydrophobicContact CG2-CG 4.16Å; V261-A320 HydrophobicContact CB-CB 4.26Å; V261-A320 HydrophobicContact CG2-CB 3.82Å; V261-A325 HydrophobicContact CG2-CB 3.88Å; V261-I327 PolarHBondContact N-O 2.82Å; V261-V328 HydrophobicContact CB-CG2 4.2Å; V261-V328 HydrophobicContact CG1-CG2 4.45Å; V261-L329 PolarHBondContact O-N 3.2Å
262	H	98.8	Very high	97.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133	175.1	175.6	-115.4	0	0	0	111.6	P285 I286 P287 V288 L329 T331	H262-P285 HydrophobicContact CB-CB 3.95Å; H262-P285 HydrophobicContact CB-CG 3.89Å; H262-I286 PolarHBondContact N-O 3.04Å; H262-P287 WeakPolarHBondContact O-CA 3.2Å; H262-V288 PolarHBondContact O-N 2.97Å; H262-L329 VanDerWaalsContact CA-O 3.29Å; H262-L329 WeakPolarHBondContact CA-O 3.44Å; H262-L329 PolarHBondContact CD2-O 3.17Å; H262-T331 PolarHBondContact NE2-OG1 2.58Å
263	T	98.4	Very high	97.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.7	165.9	-177.5	0	0	0	0	111.2	F265 Q291 L329 A330 T331	T263-F265 HydrophobicContact CG2-CD1 4.31Å; T263-F265 HydrophobicContact CG2-CE1 3.85Å; T263-F265 HydrophobicContact CG2-CZ 4.07Å; T263-F265 PolarHBondContact OG1-N 2.91Å; T263-Q291 VanDerWaalsContact OG1-CB 3.31Å; T263-Q291 WeakPolarHBondContact OG1-CB 3.36Å; T263-Q291 PolarHBondContact OG1-OE1 3.15Å; T263-L329 PolarHBondContact N-O 2.96Å; T263-A330 HydrophobicContact CG2-CB 3.56Å; T263-A330 WeakPolarHBondContact O-CA 3.29Å; T263-T331 PolarHBondContact O-N 3.21Å; T263-T331 PolarHBondContact O-OG1 3.29Å
264	S	96.3	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.			trans	-111.5	4.7	174.7	46.7	0	0	0	0	113.3	H266 G267 Q291	S264-H266 PolarHBondContact O-N 3.1Å; S264-G267 VanDerWaalsContact O-CA 3.31Å; S264-G267 WeakPolarHBondContact O-CA 2.93Å; S264-G267 PolarHBondContact O-N 2.97Å; S264-Q291 PolarHBondContact OG-O 2.9Å
265	F	95.8	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	43.8	-175.5	-59.1	-46.8	0	0	0	113.8	T263 G267 F298 V301 P304 P306 V312 L313 A330	T263-F265 HydrophobicContact CG2-CD1 4.31Å; T263-F265 HydrophobicContact CG2-CE1 3.85Å; T263-F265 HydrophobicContact CG2-CZ 4.07Å; T263-F265 PolarHBondContact OG1-N 2.91Å; F265-G267 PolarHBondContact O-N 3.27Å; F265-F298 WeakPolarHBondContact O-CD1 3.31Å; F265-V301 HydrophobicContact CD1-CG1 4.26Å; F265-V301 HydrophobicContact CE1-CG1 4.47Å; F265-P304 HydrophobicContact CB-CB 3.83Å; F265-P304 HydrophobicContact CD2-CB 4.45Å; F265-P304 HydrophobicContact CG-CB 4.37Å; F265-P306 HydrophobicContact CD2-CG 4.46Å; F265-P306 HydrophobicContact CE2-CB 3.88Å; F265-P306 HydrophobicContact CE2-CG 3.94Å; F265-V312 VanDerWaalsContact CE1-O 3.23Å; F265-V312 WeakPolarHBondContact CE1-O 3.19Å; F265-V312 HydrophobicContact CZ-CB 4.27Å; F265-V312 HydrophobicContact CZ-CG2 4.25Å; F265-L313 HydrophobicContact CZ-CD2 4.06Å; F265-A330 HydrophobicContact CE2-CB 4.26Å; F265-A330 HydrophobicContact CZ-CB 4.26Å
266	H	96.4	Very high	97.6	Very high	9 Å²	9	23.6 Å²	23.6	4%	0.042	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	17.6	-174.1	-41.4	-95.2	0	0	0	115.6	T117 S264 E290 Q291 D293 P294 D295 F298 T300	T117-H266 PolarHBondContact OG1-O 3.43Å; S264-H266 PolarHBondContact O-N 3.1Å; H266-E290 PolarHBondContact CE1-O 3.11Å; H266-E290 PolarHBondContact ND1-O 3.46Å; H266-Q291 WeakPolarHBondContact CA-O 3.29Å; H266-Q291 PolarHBondContact N-O 2.8Å; H266-D293 WeakPolarHBondContact CA-O 3.44Å; H266-D293 WeakPolarHBondContact CB-O 3.38Å; H266-D293 PolarHBondContact ND1-O 3.08Å; H266-P294 VanDerWaalsContact O-CA 3.31Å; H266-P294 WeakPolarHBondContact O-CA 3.47Å; H266-D295 HydrophobicContact CB-CB 3.63Å; H266-D295 PolarHBondContact O-N 3.45Å; H266-F298 HydrophobicContact CB-CD1 4.25Å; H266-T300 WeakPolarHBondContact NE2-CB 3.08Å; H266-T300 VanDerWaalsContact NE2-CG2 3.31Å; H266-T300 WeakPolarHBondContact NE2-CG2 3.22Å; H266-T300 PolarHBondContact NE2-N 3.3Å; H266-T300 PolarHBondContact NE2-OG1 3.47Å
267	G	96.3	Very high	97.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	-82.9	-163.6	173.9	0	0	0	0	0	113.7	S264 F265 P333	S264-G267 VanDerWaalsContact O-CA 3.31Å; S264-G267 WeakPolarHBondContact O-CA 2.93Å; S264-G267 PolarHBondContact O-N 2.97Å; F265-G267 PolarHBondContact O-N 3.27Å; G267-P333 CarbonylContact C-O 3.56Å; G267-P333 WeakPolarHBondContact CA-O 3.43Å
268	V	97.3	Very high	97.8	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	11%	0.112	C	C	.	.	S	Bend	trans	-84.8	-14.3	-174.4	-53.6	0	0	0	0	113.6	D116 T117 Y151 P153 H270 Y272 P333 A335	D116-V268 HydrophobicContact CB-CG1 4.11Å; T117-V268 HydrophobicContact CG2-CG1 3.81Å; Y151-V268 HydrophobicContact CD2-CB 4.35Å; Y151-V268 HydrophobicContact CD2-CG1 4.18Å; Y151-V268 HydrophobicContact CG-CG1 4.26Å; P153-V268 HydrophobicContact CB-CG2 4.28Å; P153-V268 HydrophobicContact CG-CG2 4.15Å; V268-H270 PolarHBondContact O-N 3.09Å; V268-Y272 WeakPolarHBondContact O-CD2 3.39Å; V268-Y272 WeakPolarHBondContact O-CE2 3.46Å; V268-P333 WeakPolarHBondContact CG2-O 3.39Å; V268-P333 PolarHBondContact N-O 3Å; V268-A335 HydrophobicContact CG2-CB 3.98Å
269	G	97.3	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.7	-27	-163.7	0	0	0	0	0	116.3	D271 Y272 V273	G269-D271 PolarHBondContact O-N 2.65Å; G269-Y272 PolarHBondContact O-N 2.95Å; G269-V273 WeakPolarHBondContact O-CG2 3.22Å; G269-V273 PolarHBondContact O-N 2.71Å
270	H	97.8	Very high	97.9	Very high	26 Å²	26	19.8 Å²	19.8	12%	0.12	10%	0.095	C	C	.	.	H	α-helix	trans	-52	-64.2	-168.8	178.3	57.1	0	0	0	113.3	V268 Y272 V273 Q274 P287 K292	V268-H270 PolarHBondContact O-N 3.09Å; H270-Y272 PolarHBondContact O-N 3.46Å; H270-V273 PolarHBondContact O-N 2.83Å; H270-Q274 PolarHBondContact CE1-NE2 3.15Å; H270-Q274 WeakPolarHBondContact O-CG 3.16Å; H270-Q274 PolarHBondContact O-N 2.86Å; H270-Q274 VanDerWaalsContact O-N 3.09Å; H270-P287 WeakPolarHBondContact CE1-CB 3.22Å; H270-K292 WeakPolarHBondContact CB-O 3.42Å
271	D	97.5	Very high	97.9	Very high	71 Å²	71	20.1 Å²	20.1	38%	0.38	10%	0.101	S	C	.	.	H	α-helix	trans	-57.5	-37.9	-175.4	-69	-16	0	0	0	112.2	G269 L275	G269-D271 PolarHBondContact O-N 2.65Å; D271-L275 WeakPolarHBondContact O-CG 3.29Å; D271-L275 PolarHBondContact O-N 3.19Å; D271-L275 VanDerWaalsContact O-N 3.1Å
272	Y	98.3	Very high	97.9	Very high	16 Å²	16	20.7 Å²	20.7	6%	0.063	10%	0.104	C	C	.	.	H	α-helix	trans	-78	-35.8	-175.1	-55.3	-84.1	0	0	0	112.5	Y151 P153 F156 M240 V268 G269 H270 L275 A276	Y151-Y272 PolarHBondContact O-OH 3.49Å; P153-Y272 VanDerWaalsContact CD-CD2 3.5Å; P153-Y272 VanDerWaalsContact CD-CE2 3.41Å; P153-Y272 HydrophobicContact CG-CD1 4.23Å; P153-Y272 HydrophobicContact CG-CD2 3.5Å; P153-Y272 HydrophobicContact CG-CE2 3.99Å; P153-Y272 HydrophobicContact CG-CG 3.63Å; F156-Y272 HydrophobicContact CD2-CE1 4.48Å; F156-Y272 AromaticContact CE1-CD1 3.99Å; F156-Y272 HydrophobicContact CE1-CD1 3.99Å; F156-Y272 HydrophobicContact CE1-CE1 4.37Å; F156-Y272 AromaticContact CE2-CD1 4Å; F156-Y272 HydrophobicContact CE2-CD1 4Å; F156-Y272 AromaticContact CE2-CE1 3.64Å; F156-Y272 HydrophobicContact CE2-CE1 3.64Å; F156-Y272 AromaticContact CZ-CD1 3.42Å; F156-Y272 HydrophobicContact CZ-CD1 3.42Å; F156-Y272 VanDerWaalsContact CZ-CD1 3.42Å; F156-Y272 AromaticContact CZ-CE1 3.59Å; F156-Y272 HydrophobicContact CZ-CE1 3.59Å; F156-Y272 HydrophobicContact CZ-CG 4.43Å; M240-Y272 HydrophobicContact CE-CD1 4.29Å; M240-Y272 WeakPolarHBondContact CE-O 3.21Å; V268-Y272 WeakPolarHBondContact O-CD2 3.39Å; V268-Y272 WeakPolarHBondContact O-CE2 3.46Å; G269-Y272 PolarHBondContact O-N 2.95Å; H270-Y272 PolarHBondContact O-N 3.46Å; Y272-L275 PolarHBondContact O-N 3.02Å; Y272-A276 WeakPolarHBondContact O-CB 3.41Å; Y272-A276 PolarHBondContact O-N 3.43Å
273	V	98.7	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-40	172.2	172.8	0	0	0	0	110.4	G269 H270 L275 A276 F277 P285 T331 V451 A454	G269-V273 WeakPolarHBondContact O-CG2 3.22Å; G269-V273 PolarHBondContact O-N 2.71Å; H270-V273 PolarHBondContact O-N 2.83Å; V273-L275 VanDerWaalsContact C-N 3.33Å; V273-L275 PolarHBondContact O-N 2.97Å; V273-A276 PolarHBondContact O-N 3.42Å; V273-F277 HydrophobicContact CG1-CD2 3.81Å; V273-F277 HydrophobicContact CG1-CE2 3.77Å; V273-F277 VanDerWaalsContact O-CD2 3.3Å; V273-F277 WeakPolarHBondContact O-CD2 3.38Å; V273-F277 PolarHBondContact O-N 3.22Å; V273-P285 HydrophobicContact CG1-CG 4.1Å; V273-T331 HydrophobicContact CG2-CG2 4.23Å; V273-V451 HydrophobicContact CG2-CG1 4.36Å; V273-V451 HydrophobicContact CG2-CG2 4.28Å; V273-A454 HydrophobicContact CG1-CB 4.31Å; V273-A454 HydrophobicContact CG2-CB 4.44Å
274	Q	98.6	Very high	97.8	Very high	38 Å²	38	32.4 Å²	32.4	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-44.1	175.2	-60.8	-79.8	-41.4	0	0	111.4	H270 F277 K278 P285	H270-Q274 PolarHBondContact CE1-NE2 3.15Å; H270-Q274 WeakPolarHBondContact O-CG 3.16Å; H270-Q274 PolarHBondContact O-N 2.86Å; H270-Q274 VanDerWaalsContact O-N 3.09Å; Q274-F277 PolarHBondContact O-N 2.75Å; Q274-K278 PolarHBondContact O-N 3.37Å; Q274-P285 PolarHBondContact NE2-O 3.27Å
275	L	98.4	Very high	97.9	Very high	73 Å²	73	32.6 Å²	32.6	38%	0.382	16%	0.164	S	C	.	.	H	α-helix	trans	-64.6	-44	175.1	-72.6	172.7	0	0	0	112.2	M240 D271 Y272 V273 F277 K278 V279	M240-L275 HydrophobicContact CE-CB 3.48Å; M240-L275 VanDerWaalsContact CE-CB 3.48Å; M240-L275 HydrophobicContact CE-CD1 4.02Å; M240-L275 HydrophobicContact CE-CG 4.42Å; M240-L275 HydrophobicContact CG-CB 4.46Å; M240-L275 HydrophobicContact SD-CB 3.77Å; D271-L275 WeakPolarHBondContact O-CG 3.29Å; D271-L275 PolarHBondContact O-N 3.19Å; D271-L275 VanDerWaalsContact O-N 3.1Å; Y272-L275 PolarHBondContact O-N 3.02Å; V273-L275 VanDerWaalsContact C-N 3.33Å; V273-L275 PolarHBondContact O-N 2.97Å; L275-F277 VanDerWaalsContact C-N 3.33Å; L275-F277 PolarHBondContact O-N 3.02Å; L275-K278 WeakPolarHBondContact O-CB 3.44Å; L275-K278 PolarHBondContact O-N 3.34Å; L275-K278 VanDerWaalsContact O-N 3.16Å; L275-V279 WeakPolarHBondContact O-CG2 3.18Å; L275-V279 PolarHBondContact O-N 3.09Å
276	A	98.7	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-41.3	178.4	0	0	0	0	0	111.4	M240 L243 Y272 V273 K278 V279 F280 V451 V455	M240-A276 HydrophobicContact SD-CB 4.37Å; L243-A276 HydrophobicContact CD1-CB 3.79Å; Y272-A276 WeakPolarHBondContact O-CB 3.41Å; Y272-A276 PolarHBondContact O-N 3.43Å; V273-A276 PolarHBondContact O-N 3.42Å; A276-K278 VanDerWaalsContact C-N 3.29Å; A276-K278 PolarHBondContact O-N 3.27Å; A276-V279 CarbonylContact O-C 3.52Å; A276-V279 WeakPolarHBondContact O-CA 3.27Å; A276-V279 WeakPolarHBondContact O-CB 3.42Å; A276-V279 PolarHBondContact O-N 3.49Å; A276-F280 PolarHBondContact O-N 3.05Å; A276-V451 HydrophobicContact CB-CG1 3.84Å; A276-V455 VanDerWaalsContact C-CG1 3.43Å; A276-V455 HydrophobicContact CB-CG1 3.51Å; A276-V455 HydrophobicContact CB-CG2 4.25Å
277	F	98.8	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.2	-42.6	175	-94.6	-114.2	0	0	0	111.6	F260 V273 Q274 L275 V279 F280 G281 F282 K283 P285 L329 V455 A458	F260-F277 HydrophobicContact CB-CE1 3.96Å; F260-F277 HydrophobicContact CB-CZ 4.1Å; F260-F277 HydrophobicContact CD1-CZ 4.49Å; F260-F277 AromaticContact CD2-CE1 3.79Å; F260-F277 HydrophobicContact CD2-CE1 3.79Å; F260-F277 HydrophobicContact CD2-CZ 4.5Å; F260-F277 HydrophobicContact CE2-CE1 4.45Å; F260-F277 AromaticContact CG-CE1 3.84Å; F260-F277 HydrophobicContact CG-CE1 3.84Å; F260-F277 HydrophobicContact CG-CZ 4.12Å; V273-F277 HydrophobicContact CG1-CD2 3.81Å; V273-F277 HydrophobicContact CG1-CE2 3.77Å; V273-F277 VanDerWaalsContact O-CD2 3.3Å; V273-F277 WeakPolarHBondContact O-CD2 3.38Å; V273-F277 PolarHBondContact O-N 3.22Å; Q274-F277 PolarHBondContact O-N 2.75Å; L275-F277 VanDerWaalsContact C-N 3.33Å; L275-F277 PolarHBondContact O-N 3.02Å; F277-V279 VanDerWaalsContact C-N 3.34Å; F277-V279 PolarHBondContact O-N 3.04Å; F277-F280 CarbonylContact O-C 3.54Å; F277-F280 PolarHBondContact O-N 2.66Å; F277-F280 VanDerWaalsContact O-N 3.12Å; F277-G281 PolarHBondContact O-N 2.84Å; F277-F282 HydrophobicContact CB-CB 4.18Å; F277-F282 HydrophobicContact CD1-CB 3.53Å; F277-F282 HydrophobicContact CD1-CD2 4.11Å; F277-F282 HydrophobicContact CD1-CG 4.01Å; F277-F282 HydrophobicContact CE1-CB 4.33Å; F277-F282 HydrophobicContact CE1-CD2 4.46Å; F277-F282 HydrophobicContact CE1-CG 4.43Å; F277-F282 HydrophobicContact CG-CB 4.24Å; F277-F282 PolarHBondContact O-N 2.83Å; F277-K283 WeakPolarHBondContact CD1-O 3.47Å; F277-P285 HydrophobicContact CD1-CB 4.24Å; F277-P285 HydrophobicContact CD1-CG 4.11Å; F277-P285 HydrophobicContact CD2-CG 3.91Å; F277-P285 HydrophobicContact CE1-CB 3.9Å; F277-P285 HydrophobicContact CE1-CG 4.13Å; F277-P285 HydrophobicContact CE2-CB 4.34Å; F277-P285 HydrophobicContact CE2-CG 3.93Å; F277-P285 HydrophobicContact CG-CG 4.02Å; F277-P285 HydrophobicContact CZ-CB 3.95Å; F277-P285 HydrophobicContact CZ-CG 4.04Å; F277-L329 HydrophobicContact CE2-CD1 3.91Å; F277-L329 HydrophobicContact CZ-CD1 3.59Å; F277-V455 HydrophobicContact CD2-CG1 3.43Å; F277-V455 VanDerWaalsContact CD2-CG1 3.43Å; F277-V455 HydrophobicContact CE2-CG1 3.84Å; F277-V455 HydrophobicContact CG-CG1 4.19Å; F277-A458 HydrophobicContact CE1-CB 3.94Å; F277-A458 HydrophobicContact CE2-CB 4.39Å; F277-A458 HydrophobicContact CZ-CB 3.66Å
278	K	98.6	Very high	98.2	Very high	148 Å²	148	36 Å²	36	64%	0.643	18%	0.184	S	C	*	.	H	α-helix	trans	-62.6	-39.1	174.3	-174	-179.9	179.9	179	0	112.2	R250 Q274 L275 A276 F280 G281	R250-K278 PolarHBondContact NH1-O 3.27Å; R250-K278 PolarHBondContact NH2-O 3.12Å; Q274-K278 PolarHBondContact O-N 3.37Å; L275-K278 WeakPolarHBondContact O-CB 3.44Å; L275-K278 PolarHBondContact O-N 3.34Å; L275-K278 VanDerWaalsContact O-N 3.16Å; A276-K278 VanDerWaalsContact C-N 3.29Å; A276-K278 PolarHBondContact O-N 3.27Å; K278-F280 PolarHBondContact O-N 2.88Å; K278-G281 PolarHBondContact O-N 3.43Å
279	V	98.4	Very high	98.3	Very high	20 Å²	20	39.4 Å²	39.4	12%	0.121	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-26.5	174.1	172.1	0	0	0	0	112.7	M240 L243 K244 R250 L275 A276 F277	M240-V279 HydrophobicContact CB-CG2 3.82Å; M240-V279 HydrophobicContact CG-CG2 4.39Å; M240-V279 VanDerWaalsContact O-CG1 3.23Å; M240-V279 WeakPolarHBondContact O-CG1 3.48Å; M240-V279 HydrophobicContact SD-CG2 4.11Å; L243-V279 HydrophobicContact CB-CG1 4.01Å; K244-V279 HydrophobicContact CG-CG1 3.66Å; R250-V279 PolarHBondContact NH1-O 2.84Å; L275-V279 WeakPolarHBondContact O-CG2 3.18Å; L275-V279 PolarHBondContact O-N 3.09Å; A276-V279 CarbonylContact O-C 3.52Å; A276-V279 WeakPolarHBondContact O-CA 3.27Å; A276-V279 WeakPolarHBondContact O-CB 3.42Å; A276-V279 PolarHBondContact O-N 3.49Å; F277-V279 VanDerWaalsContact C-N 3.34Å; F277-V279 PolarHBondContact O-N 3.04Å
280	F	98.6	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-92.3	-9.5	174.5	-87.1	-120.8	0	0	0	113.8	L243 I246 C247 R250 N253 A276 F277 K278 F282 V455 V456 E459	L243-F280 HydrophobicContact CB-CE2 4.3Å; I246-F280 HydrophobicContact CD1-CZ 4.49Å; I246-F280 HydrophobicContact CG1-CZ 4.08Å; I246-F280 WeakPolarHBondContact O-CZ 3.3Å; C247-F280 HydrophobicContact CB-CD1 3.91Å; C247-F280 HydrophobicContact CB-CD2 3.99Å; C247-F280 HydrophobicContact CB-CE1 3.76Å; C247-F280 HydrophobicContact CB-CE2 3.81Å; C247-F280 HydrophobicContact CB-CG 4.04Å; C247-F280 HydrophobicContact CB-CZ 3.71Å; R250-F280 WeakPolarHBondContact CA-O 3.29Å; R250-F280 VanDerWaalsContact NH1-C 3.3Å; N253-F280 WeakPolarHBondContact CB-O 3.28Å; N253-F280 PolarHBondContact ND2-O 3.28Å; A276-F280 PolarHBondContact O-N 3.05Å; F277-F280 CarbonylContact O-C 3.54Å; F277-F280 PolarHBondContact O-N 2.66Å; F277-F280 VanDerWaalsContact O-N 3.12Å; K278-F280 PolarHBondContact O-N 2.88Å; F280-F282 HydrophobicContact CB-CD2 3.73Å; F280-F282 HydrophobicContact CB-CE2 3.96Å; F280-V455 HydrophobicContact CB-CB 4.43Å; F280-V455 HydrophobicContact CD1-CB 3.98Å; F280-V455 HydrophobicContact CD1-CG2 4.33Å; F280-V455 HydrophobicContact CD2-CB 3.89Å; F280-V455 HydrophobicContact CD2-CG1 4.45Å; F280-V455 HydrophobicContact CD2-CG2 3.76Å; F280-V455 HydrophobicContact CE1-CB 4.16Å; F280-V455 HydrophobicContact CE1-CG2 4.07Å; F280-V455 HydrophobicContact CE2-CB 4.09Å; F280-V455 HydrophobicContact CE2-CG2 3.49Å; F280-V455 VanDerWaalsContact CE2-CG2 3.49Å; F280-V455 HydrophobicContact CG-CB 3.83Å; F280-V455 HydrophobicContact CG-CG1 4.49Å; F280-V455 HydrophobicContact CG-CG2 4.18Å; F280-V455 HydrophobicContact CZ-CB 4.2Å; F280-V455 HydrophobicContact CZ-CG2 3.64Å; F280-V456 HydrophobicContact CE1-CG2 4.36Å; F280-V456 HydrophobicContact CZ-CG2 4.26Å; F280-E459 HydrophobicContact CD1-CB 4Å; F280-E459 HydrophobicContact CE1-CB 4.2Å
281	G	98.4	Very high	98.2	Very high	15 Å²	15	43.2 Å²	43.2	16%	0.155	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	99	1.7	171.4	0	0	0	0	0	113	S254 F277 K278	S254-G281 WeakPolarHBondContact CA-O 3.32Å; S254-G281 WeakPolarHBondContact CB-O 3.5Å; F277-G281 PolarHBondContact O-N 2.84Å; K278-G281 PolarHBondContact O-N 3.43Å
282	F	98.6	Very high	98.2	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.057	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-74.5	159.5	178.4	-68.5	-67.2	0	0	0	112.7	N253 T256 F260 F277 F280 A458 E459	N253-F282 HydrophobicContact CB-CD1 3.76Å; N253-F282 HydrophobicContact CB-CD2 4.08Å; N253-F282 HydrophobicContact CB-CE1 3.41Å; N253-F282 VanDerWaalsContact CB-CE1 3.41Å; N253-F282 HydrophobicContact CB-CE2 3.76Å; N253-F282 HydrophobicContact CB-CG 4.08Å; N253-F282 HydrophobicContact CB-CZ 3.42Å; N253-F282 VanDerWaalsContact CB-CZ 3.42Å; N253-F282 WeakPolarHBondContact O-CD1 3.1Å; N253-F282 VanDerWaalsContact OD1-CZ 3.25Å; N253-F282 WeakPolarHBondContact OD1-CZ 3.38Å; T256-F282 HydrophobicContact CG2-CD1 3.62Å; T256-F282 HydrophobicContact CG2-CE1 3.66Å; F260-F282 HydrophobicContact CE2-CD1 4.3Å; F260-F282 HydrophobicContact CE2-CE1 4.22Å; F260-F282 HydrophobicContact CZ-CE1 4.5Å; F277-F282 HydrophobicContact CB-CB 4.18Å; F277-F282 HydrophobicContact CD1-CB 3.53Å; F277-F282 HydrophobicContact CD1-CD2 4.11Å; F277-F282 HydrophobicContact CD1-CG 4.01Å; F277-F282 HydrophobicContact CE1-CB 4.33Å; F277-F282 HydrophobicContact CE1-CD2 4.46Å; F277-F282 HydrophobicContact CE1-CG 4.43Å; F277-F282 HydrophobicContact CG-CB 4.24Å; F277-F282 PolarHBondContact O-N 2.83Å; F280-F282 HydrophobicContact CB-CD2 3.73Å; F280-F282 HydrophobicContact CB-CE2 3.96Å; F282-A458 HydrophobicContact CD2-CB 4.29Å; F282-A458 HydrophobicContact CE2-CB 3.77Å; F282-A458 HydrophobicContact CZ-CB 4.07Å; F282-A458 WeakPolarHBondContact CZ-O 3.37Å; F282-E459 HydrophobicContact CE2-CB 4.34Å; F282-E459 HydrophobicContact CZ-CB 4.42Å
283	K	97.6	Very high	98.1	Very high	169 Å²	169	46 Å²	46	74%	0.735	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-63.3	146.2	155.3	-66.4	177.8	-176.2	170.9	0	108.7	F277	F277-K283 WeakPolarHBondContact CD1-O 3.47Å
284	P	97.4	Very high	97.8	Very high	78 Å²	78	48.3 Å²	48.3	51%	0.506	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-60	143.5	178.3	-14.4	26.1	0	0	0	111.3
285	P	98.4	Very high	97.6	Very high	5 Å²	5	48 Å²	48	3%	0.032	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-69.9	150.6	-178.5	29	-30.5	0	0	0	109.8	F260 H262 V273 Q274 F277 P287	F260-P285 HydrophobicContact CB-CB 3.99Å; F260-P285 CarbonylContact O-C 3.49Å; F260-P285 WeakPolarHBondContact O-CA 3.32Å; H262-P285 HydrophobicContact CB-CB 3.95Å; H262-P285 HydrophobicContact CB-CG 3.89Å; V273-P285 HydrophobicContact CG1-CG 4.1Å; Q274-P285 PolarHBondContact NE2-O 3.27Å; F277-P285 HydrophobicContact CD1-CB 4.24Å; F277-P285 HydrophobicContact CD1-CG 4.11Å; F277-P285 HydrophobicContact CD2-CG 3.91Å; F277-P285 HydrophobicContact CE1-CB 3.9Å; F277-P285 HydrophobicContact CE1-CG 4.13Å; F277-P285 HydrophobicContact CE2-CB 4.34Å; F277-P285 HydrophobicContact CE2-CG 3.93Å; F277-P285 HydrophobicContact CG-CG 4.02Å; F277-P285 HydrophobicContact CZ-CB 3.95Å; F277-P285 HydrophobicContact CZ-CG 4.04Å; P285-P287 VanDerWaalsContact O-CD 3.27Å; P285-P287 WeakPolarHBondContact O-CD 3.33Å
286	I	98.8	Very high	97.3	Very high	44 Å²	44	47.1 Å²	47.1	23%	0.226	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	115.7	-179.6	-54.5	173.6	0	0	0	108.1	K259 F260 V261 H262 L319 E323	K259-I286 HydrophobicContact CB-CD1 4.45Å; K259-I286 HydrophobicContact CD-CD1 4.26Å; F260-I286 PolarHBondContact O-N 2.87Å; V261-I286 CarbonylContact C-O 3.57Å; V261-I286 VanDerWaalsContact CA-O 3.28Å; V261-I286 WeakPolarHBondContact CA-O 3.32Å; V261-I286 HydrophobicContact CG2-CB 4.14Å; H262-I286 PolarHBondContact N-O 3.04Å; I286-L319 HydrophobicContact CG2-CD2 4.11Å; I286-L319 HydrophobicContact CG2-CG 4.47Å; I286-E323 HydrophobicContact CD1-CB 3.64Å; I286-E323 HydrophobicContact CD1-CG 3.95Å; I286-E323 HydrophobicContact CG2-CG 4.3Å
287	P	98.3	Very high	97	Very high	38 Å²	38	50.2 Å²	50.2	25%	0.247	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	142.1	-178	31.8	-32.5	0	0	0	111.2	H262 H270 P285 P289 K292	H262-P287 WeakPolarHBondContact O-CA 3.2Å; H270-P287 WeakPolarHBondContact CE1-CB 3.22Å; P285-P287 VanDerWaalsContact O-CD 3.27Å; P285-P287 WeakPolarHBondContact O-CD 3.33Å; P287-P289 WeakPolarHBondContact O-CD 3.26Å; P287-K292 HydrophobicContact CB-CB 3.94Å; P287-K292 HydrophobicContact CB-CD 3.99Å; P287-K292 HydrophobicContact CG-CD 4.06Å
288	V	98.4	Very high	96.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.			trans	-65.9	109.7	167.8	179.6	0	0	0	0	109	V261 H262 E290 Q291 K292 L315 L319	V261-V288 HydrophobicContact CG1-CG2 3.76Å; H262-V288 PolarHBondContact O-N 2.97Å; V288-E290 WeakPolarHBondContact CG1-OE2 3.35Å; V288-E290 PolarHBondContact O-N 2.87Å; V288-E290 VanDerWaalsContact O-N 3.15Å; V288-Q291 HydrophobicContact CB-CB 4.17Å; V288-Q291 HydrophobicContact CG1-CB 3.97Å; V288-Q291 HydrophobicContact CG1-CG 3.99Å; V288-Q291 PolarHBondContact O-N 3.32Å; V288-K292 WeakPolarHBondContact O-CB 3.04Å; V288-K292 PolarHBondContact O-N 3.03Å; V288-L315 HydrophobicContact CG1-CB 4.06Å; V288-L319 HydrophobicContact CB-CD2 4.34Å; V288-L319 HydrophobicContact CG2-CD2 3.95Å
289	P	97.9	Very high	96.5	Very high	74 Å²	74	47.4 Å²	47.4	48%	0.481	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.2	-171.4	-26.9	36.2	0	0	0	113.4	P287 Q291	P287-P289 WeakPolarHBondContact O-CD 3.26Å; P289-Q291 VanDerWaalsContact C-N 3.31Å; P289-Q291 PolarHBondContact O-N 3.42Å
290	E	97.6	Very high	96.2	Very high	104 Å²	104	49.1 Å²	49.1	49%	0.486	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.9	-178.6	-58.7	85.7	167.6	0	0	113	H266 V288 T300 L315	H266-E290 PolarHBondContact CE1-O 3.11Å; H266-E290 PolarHBondContact ND1-O 3.46Å; V288-E290 WeakPolarHBondContact CG1-OE2 3.35Å; V288-E290 PolarHBondContact O-N 2.87Å; V288-E290 VanDerWaalsContact O-N 3.15Å; E290-T300 HydrophobicContact CB-CG2 4.11Å; E290-L315 HydrophobicContact CB-CD1 4.22Å
291	Q	97.2	Very high	95.8	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-4.4	-169.4	-64.3	-175.8	-37.9	0	0	114.1	T263 S264 H266 V288 P289 T300 L315	T263-Q291 VanDerWaalsContact OG1-CB 3.31Å; T263-Q291 WeakPolarHBondContact OG1-CB 3.36Å; T263-Q291 PolarHBondContact OG1-OE1 3.15Å; S264-Q291 PolarHBondContact OG-O 2.9Å; H266-Q291 WeakPolarHBondContact CA-O 3.29Å; H266-Q291 PolarHBondContact N-O 2.8Å; V288-Q291 HydrophobicContact CB-CB 4.17Å; V288-Q291 HydrophobicContact CG1-CB 3.97Å; V288-Q291 HydrophobicContact CG1-CG 3.99Å; V288-Q291 PolarHBondContact O-N 3.32Å; P289-Q291 VanDerWaalsContact C-N 3.31Å; P289-Q291 PolarHBondContact O-N 3.42Å; Q291-T300 HydrophobicContact CG-CG2 4.22Å; Q291-T300 WeakPolarHBondContact CG-OG1 3.44Å; Q291-T300 PolarHBondContact NE2-OG1 2.87Å; Q291-L315 HydrophobicContact CG-CD1 4.14Å
292	K	96.4	Very high	95.2	Very high	59 Å²	59	58.9 Å²	58.9	26%	0.257	32%	0.316	S	S	.	.	S	Bend	trans	-74.4	-32.7	-177.4	73.4	177.9	-176.7	63.7	0	113.4	H270 P287 V288	H270-K292 WeakPolarHBondContact CB-O 3.42Å; P287-K292 HydrophobicContact CB-CB 3.94Å; P287-K292 HydrophobicContact CB-CD 3.99Å; P287-K292 HydrophobicContact CG-CD 4.06Å; V288-K292 WeakPolarHBondContact O-CB 3.04Å; V288-K292 PolarHBondContact O-N 3.03Å
293	D	95.4	Very high	94.6	Very high	86 Å²	86	59.7 Å²	59.7	46%	0.46	32%	0.323	S	S	.	.	S	Bend	trans	-89.9	134.6	-174.1	-65.8	-47.5	0	0	0	110.3	H266 D295	H266-D293 WeakPolarHBondContact CA-O 3.44Å; H266-D293 WeakPolarHBondContact CB-O 3.38Å; H266-D293 PolarHBondContact ND1-O 3.08Å; D293-D295 PolarHBondContact O-N 3.13Å
294	P	93.8	Very high	94.3	Very high	50 Å²	50	51.7 Å²	51.7	33%	0.325	29%	0.289	S	S	.	.			trans	-54.6	127.4	176.3	-38.7	45.5	0	0	0	114.9	T117 Y151 H266	T117-P294 HydrophobicContact CG2-CB 3.64Å; T117-P294 HydrophobicContact CG2-CG 4.11Å; Y151-P294 HydrophobicContact CD2-CG 4.38Å; Y151-P294 HydrophobicContact CE1-CB 4.03Å; Y151-P294 HydrophobicContact CE1-CG 3.96Å; Y151-P294 HydrophobicContact CE2-CG 3.72Å; Y151-P294 VanDerWaalsContact CZ-CG 3.49Å; H266-P294 VanDerWaalsContact O-CA 3.31Å; H266-P294 WeakPolarHBondContact O-CA 3.47Å
295	D	94.4	Very high	94	Very high	32 Å²	32	48.2 Å²	48.2	17%	0.171	27%	0.266	C	S	.	.			trans	-139.3	118.3	177.5	172.3	12.6	0	0	0	108.5	H266 D293 D297 F298 S299	H266-D295 HydrophobicContact CB-CB 3.63Å; H266-D295 PolarHBondContact O-N 3.45Å; D293-D295 PolarHBondContact O-N 3.13Å; D295-D297 PolarHBondContact O-N 2.89Å; D295-D297 VanDerWaalsContact O-N 3.17Å; D295-D297 PolarHBondContact OD1-N 2.59Å; D295-F298 WeakPolarHBondContact O-CD1 3.36Å; D295-F298 PolarHBondContact O-N 3.36Å; D295-S299 WeakPolarHBondContact OD2-CB 3.38Å; D295-S299 PolarHBondContact OD2-N 2.91Å; D295-S299 PolarHBondContact OD2-OG 2.85Å
296	P	92.6	Very high	93.7	Very high	53 Å²	53	48 Å²	48	34%	0.344	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.1	-179.2	26.1	-35.8	0	0	0	113.8	T117	T117-P296 WeakPolarHBondContact O-CA 3.29Å; T117-P296 WeakPolarHBondContact O-CB 3.42Å
297	D	91.1	Very high	93.3	Very high	65 Å²	65	49.9 Å²	49.9	35%	0.348	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-6.1	-178	-81.6	-56	0	0	0	113.8	K179 D295 S299	K179-D297 HydrophobicContact CD-CB 4.17Å; K179-D297 WeakPolarHBondContact CD-O 3.33Å; K179-D297 WeakPolarHBondContact CD-OD1 3.5Å; K179-D297 WeakPolarHBondContact CE-OD1 3.11Å; K179-D297 IonicContact NZ-OD1 3.36Å; K179-D297 PolarHBondContact NZ-OD1 2.82Å; D295-D297 PolarHBondContact O-N 2.89Å; D295-D297 VanDerWaalsContact O-N 3.17Å; D295-D297 PolarHBondContact OD1-N 2.59Å; D297-S299 PolarHBondContact O-N 3.06Å
298	F	93.4	Very high	92.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.009	29%	0.286	C	S	.	.			trans	48	45.8	-174.2	-48.6	-47.4	0	0	0	112.5	R118 K179 F265 H266 D295 T300 V301 P304 P333	R118-F298 HydrophobicContact CB-CE2 4.43Å; R118-F298 HydrophobicContact CB-CZ 4.01Å; K179-F298 HydrophobicContact CB-CD2 3.91Å; K179-F298 HydrophobicContact CB-CE2 4.22Å; F265-F298 WeakPolarHBondContact O-CD1 3.31Å; H266-F298 HydrophobicContact CB-CD1 4.25Å; D295-F298 WeakPolarHBondContact O-CD1 3.36Å; D295-F298 PolarHBondContact O-N 3.36Å; F298-T300 PolarHBondContact O-N 3.33Å; F298-V301 HydrophobicContact CB-CG2 4.17Å; F298-V301 PolarHBondContact O-N 3.33Å; F298-P304 HydrophobicContact CD2-CB 4.4Å; F298-P304 HydrophobicContact CD2-CG 3.64Å; F298-P304 HydrophobicContact CE2-CG 3.92Å; F298-P304 HydrophobicContact CG-CB 4.34Å; F298-P304 HydrophobicContact CG-CG 4.07Å; F298-P333 HydrophobicContact CD1-CG 4.46Å; F298-P333 HydrophobicContact CE1-CB 3.75Å; F298-P333 HydrophobicContact CE1-CG 3.95Å; F298-P333 HydrophobicContact CE2-CG 4.28Å; F298-P333 HydrophobicContact CZ-CB 3.7Å; F298-P333 HydrophobicContact CZ-CG 3.84Å
299	S	93.2	Very high	92.3	Very high	88 Å²	88	54 Å²	54	62%	0.615	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.4	-159	51.6	0	0	0	0	117.2	D295 D297	D295-S299 WeakPolarHBondContact OD2-CB 3.38Å; D295-S299 PolarHBondContact OD2-N 2.91Å; D295-S299 PolarHBondContact OD2-OG 2.85Å; D297-S299 PolarHBondContact O-N 3.06Å
300	T	93.5	Very high	91.9	Very high	55 Å²	55	56.3 Å²	56.3	34%	0.337	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.9	179.5	60.3	0	0	0	0	114.5	H266 E290 Q291 F298 L315	H266-T300 WeakPolarHBondContact NE2-CB 3.08Å; H266-T300 VanDerWaalsContact NE2-CG2 3.31Å; H266-T300 WeakPolarHBondContact NE2-CG2 3.22Å; H266-T300 PolarHBondContact NE2-N 3.3Å; H266-T300 PolarHBondContact NE2-OG1 3.47Å; E290-T300 HydrophobicContact CB-CG2 4.11Å; Q291-T300 HydrophobicContact CG-CG2 4.22Å; Q291-T300 WeakPolarHBondContact CG-OG1 3.44Å; Q291-T300 PolarHBondContact NE2-OG1 2.87Å; F298-T300 PolarHBondContact O-N 3.33Å; T300-L315 HydrophobicContact CG2-CD1 4.15Å
301	V	90.3	Very high	91.5	Very high	27 Å²	27	55.7 Å²	55.7	16%	0.164	30%	0.303	C	S	.	.			trans	-137.5	142.9	-174.5	-68.3	0	0	0	0	112.1	F265 F298 C303 P304	F265-V301 HydrophobicContact CD1-CG1 4.26Å; F265-V301 HydrophobicContact CE1-CG1 4.47Å; F298-V301 HydrophobicContact CB-CG2 4.17Å; F298-V301 PolarHBondContact O-N 3.33Å; V301-C303 VanDerWaalsContact C-N 3.34Å; V301-P304 HydrophobicContact CG2-CB 3.86Å
302	K	85.1	Confident	91.2	Very high	193 Å²	193	56.6 Å²	56.6	84%	0.839	31%	0.309	S	S	*	.	S	Bend	trans	-70.1	-32.9	174.6	-70	-177.8	-180	175.1	0	112.8
303	C	86.1	Confident	91.3	Very high	30 Å²	30	53.8 Å²	53.8	20%	0.203	30%	0.297	C	S	.	.	S	Bend	trans	-146.5	119.5	178.7	-170.5	0	0	0	0	107	H176 V301 N305	H176-C303 PolarHBondContact O-SG 3.46Å; V301-C303 VanDerWaalsContact C-N 3.34Å; C303-N305 PolarHBondContact O-N 3.02Å
304	P	90.1	Very high	91.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	30%	0.297	C	S	.	.			trans	-81.7	52.9	-176.8	37.4	-39.8	0	0	0	111.2	F265 F298 V301 P306 P333	F265-P304 HydrophobicContact CB-CB 3.83Å; F265-P304 HydrophobicContact CD2-CB 4.45Å; F265-P304 HydrophobicContact CG-CB 4.37Å; F298-P304 HydrophobicContact CD2-CB 4.4Å; F298-P304 HydrophobicContact CD2-CG 3.64Å; F298-P304 HydrophobicContact CE2-CG 3.92Å; F298-P304 HydrophobicContact CG-CB 4.34Å; F298-P304 HydrophobicContact CG-CG 4.07Å; V301-P304 HydrophobicContact CG2-CB 3.86Å; P304-P306 WeakPolarHBondContact O-CD 3.45Å; P304-P333 HydrophobicContact CB-CG 3.45Å; P304-P333 VanDerWaalsContact CB-CG 3.45Å; P304-P333 HydrophobicContact CG-CG 3.32Å; P304-P333 VanDerWaalsContact O-CD 3.32Å; P304-P333 WeakPolarHBondContact O-CD 3.26Å
305	N	92.3	Very high	91.5	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.032	29%	0.292	C	S	.	.			trans	-106.9	101.8	-177.4	-176.8	19.5	0	0	0	111.1	H176 C303 E307 E308 V312	H176-N305 HydrophobicContact CB-CB 3.94Å; C303-N305 PolarHBondContact O-N 3.02Å; N305-E307 PolarHBondContact O-N 3.42Å; N305-E307 VanDerWaalsContact OD1-CB 3.32Å; N305-E307 WeakPolarHBondContact OD1-CB 3.47Å; N305-E307 PolarHBondContact OD1-N 2.81Å; N305-E308 HydrophobicContact CB-CG 4.01Å; N305-E308 PolarHBondContact ND2-OE1 3.44Å; N305-E308 WeakPolarHBondContact O-CG 3.39Å; N305-E308 PolarHBondContact O-N 2.92Å; N305-E308 VanDerWaalsContact O-N 3.1Å; N305-V312 WeakPolarHBondContact O-CG2 3.33Å
306	P	91.8	Very high	91.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-59.3	-17.2	179.4	4.3	-7.1	0	0	0	114.4	F265 P304 E308 G309 A330 D332 A339 I437	F265-P306 HydrophobicContact CD2-CG 4.46Å; F265-P306 HydrophobicContact CE2-CB 3.88Å; F265-P306 HydrophobicContact CE2-CG 3.94Å; P304-P306 WeakPolarHBondContact O-CD 3.45Å; P306-E308 PolarHBondContact O-N 2.99Å; P306-G309 PolarHBondContact O-N 2.9Å; P306-A330 HydrophobicContact CB-CB 4.2Å; P306-D332 HydrophobicContact CG-CB 3.88Å; P306-A339 HydrophobicContact CB-CB 3.53Å; P306-I437 HydrophobicContact CB-CD1 3.76Å; P306-I437 HydrophobicContact CG-CD1 3.7Å
307	E	89.5	Confident	91.9	Very high	83 Å²	83	50.4 Å²	50.4	39%	0.388	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-67.2	-21.3	177.1	-165.1	-176.5	172.2	0	0	113.1	N305 G309 R337 I437	N305-E307 PolarHBondContact O-N 3.42Å; N305-E307 VanDerWaalsContact OD1-CB 3.32Å; N305-E307 WeakPolarHBondContact OD1-CB 3.47Å; N305-E307 PolarHBondContact OD1-N 2.81Å; E307-G309 PolarHBondContact O-N 2.69Å; E307-G309 VanDerWaalsContact O-N 3.14Å; E307-R337 IonicContact OE2-NH1 3.95Å; E307-I437 HydrophobicContact CB-CD1 4.06Å; E307-I437 HydrophobicContact CB-CG1 4.32Å
308	E	87.6	Confident	92.2	Very high	113 Å²	113	53.7 Å²	53.7	53%	0.528	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-72.3	-2	178	-54.5	-59.8	150.1	0	0	113.2	N305 P306 S311 V312	N305-E308 HydrophobicContact CB-CG 4.01Å; N305-E308 PolarHBondContact ND2-OE1 3.44Å; N305-E308 WeakPolarHBondContact O-CG 3.39Å; N305-E308 PolarHBondContact O-N 2.92Å; N305-E308 VanDerWaalsContact O-N 3.1Å; P306-E308 PolarHBondContact O-N 2.99Å; E308-S311 PolarHBondContact O-OG 3.48Å; E308-S311 VanDerWaalsContact O-OG 3.09Å; E308-V312 HydrophobicContact CB-CG1 3.84Å; E308-V312 HydrophobicContact CB-CG2 4.08Å; E308-V312 HydrophobicContact CG-CG1 4.37Å
309	G	88.6	Confident	92.5	Very high	12 Å²	12	54.6 Å²	54.6	12%	0.124	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	-139.6	170	0	0	0	0	0	114.1	P306 E307 S311 V312 L313	P306-G309 PolarHBondContact O-N 2.9Å; E307-G309 PolarHBondContact O-N 2.69Å; E307-G309 VanDerWaalsContact O-N 3.14Å; G309-S311 PolarHBondContact O-N 3.24Å; G309-S311 VanDerWaalsContact O-N 3.09Å; G309-V312 WeakPolarHBondContact O-CG2 3.41Å; G309-V312 PolarHBondContact O-N 3.01Å; G309-V312 VanDerWaalsContact O-N 3.12Å; G309-L313 WeakPolarHBondContact O-CG 3.39Å; G309-L313 PolarHBondContact O-N 3.32Å
310	E	89.3	Confident	92.7	Very high	122 Å²	122	50.4 Å²	50.4	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-54.1	-35.8	-170.2	-170.8	170.1	-174.2	0	0	113.3	V312 L313 E314 L317 V351	E310-V312 VanDerWaalsContact C-N 3.25Å; E310-V312 PolarHBondContact O-N 2.76Å; E310-L313 PolarHBondContact O-N 3.42Å; E310-L313 VanDerWaalsContact O-N 3.1Å; E310-E314 PolarHBondContact O-N 2.7Å; E310-L317 HydrophobicContact CG-CD1 3.81Å; E310-V351 HydrophobicContact CB-CG2 4.34Å
311	S	90.1	Very high	92.9	Very high	91 Å²	91	52.5 Å²	52.5	64%	0.636	26%	0.258	S	S	*	.	H	α-helix	trans	-58.6	-31.4	-178.9	67.8	0	0	0	0	114.4	E308 G309	E308-S311 PolarHBondContact O-OG 3.48Å; E308-S311 VanDerWaalsContact O-OG 3.09Å; G309-S311 PolarHBondContact O-N 3.24Å; G309-S311 VanDerWaalsContact O-N 3.09Å
312	V	91.7	Very high	93.3	Very high	20 Å²	20	58.7 Å²	58.7	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-100.3	-14.8	178	-65.2	0	0	0	0	112.6	F265 N305 E308 G309 E310	F265-V312 VanDerWaalsContact CE1-O 3.23Å; F265-V312 WeakPolarHBondContact CE1-O 3.19Å; F265-V312 HydrophobicContact CZ-CB 4.27Å; F265-V312 HydrophobicContact CZ-CG2 4.25Å; N305-V312 WeakPolarHBondContact O-CG2 3.33Å; E308-V312 HydrophobicContact CB-CG1 3.84Å; E308-V312 HydrophobicContact CB-CG2 4.08Å; E308-V312 HydrophobicContact CG-CG1 4.37Å; G309-V312 WeakPolarHBondContact O-CG2 3.41Å; G309-V312 PolarHBondContact O-N 3.01Å; G309-V312 VanDerWaalsContact O-N 3.12Å; E310-V312 VanDerWaalsContact C-N 3.25Å; E310-V312 PolarHBondContact O-N 2.76Å
313	L	96.6	Very high	93.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-91	-5.9	-178.6	-65	176.6	0	0	0	113.4	F265 G309 E310 L315 S316 L317 V328 A330 A341 V351	F265-L313 HydrophobicContact CZ-CD2 4.06Å; G309-L313 WeakPolarHBondContact O-CG 3.39Å; G309-L313 PolarHBondContact O-N 3.32Å; E310-L313 PolarHBondContact O-N 3.42Å; E310-L313 VanDerWaalsContact O-N 3.1Å; L313-L315 PolarHBondContact O-N 3.14Å; L313-L315 VanDerWaalsContact O-N 3.13Å; L313-S316 WeakPolarHBondContact O-CA 3.31Å; L313-S316 WeakPolarHBondContact O-CB 3.39Å; L313-S316 PolarHBondContact O-N 3.12Å; L313-S316 PolarHBondContact O-OG 2.64Å; L313-L317 HydrophobicContact CB-CD1 4.1Å; L313-L317 HydrophobicContact CB-CD2 4.45Å; L313-L317 HydrophobicContact CB-CG 4.01Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.18Å; L313-V328 HydrophobicContact CD2-CG1 4.44Å; L313-A330 HydrophobicContact CD2-CB 3.42Å; L313-A330 VanDerWaalsContact CD2-CB 3.42Å; L313-A341 HydrophobicContact CD1-CB 4.37Å; L313-V351 HydrophobicContact CD1-CG1 4.12Å; L313-V351 HydrophobicContact CD1-CG2 4.22Å
314	E	96.2	Very high	94.4	Very high	99 Å²	99	57.7 Å²	57.7	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-43.4	-51.3	-173.2	-177.6	173.7	-145.3	0	0	114.7	E310 S316 L317 R318	E310-E314 PolarHBondContact O-N 2.7Å; E314-S316 VanDerWaalsContact C-N 3.33Å; E314-S316 PolarHBondContact O-N 2.9Å; E314-L317 PolarHBondContact O-N 3.03Å; E314-R318 VanDerWaalsContact O-CG 3.31Å; E314-R318 WeakPolarHBondContact O-CG 3.36Å; E314-R318 PolarHBondContact O-N 3.22Å; E314-R318 IonicContact OE1-CZ 2.74Å; E314-R318 IonicContact OE1-NE 2.61Å; E314-R318 IonicContact OE1-NH2 3.55Å; E314-R318 PolarHBondContact OE1-NH2 2.9Å; E314-R318 IonicContact OE2-NH2 2.64Å
315	L	97.5	Very high	94.7	Very high	44 Å²	44	57.7 Å²	57.7	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-40.5	179.1	-68.7	178.7	0	0	0	112.5	V288 E290 Q291 T300 L313 L319	V288-L315 HydrophobicContact CG1-CB 4.06Å; E290-L315 HydrophobicContact CB-CD1 4.22Å; Q291-L315 HydrophobicContact CG-CD1 4.14Å; T300-L315 HydrophobicContact CG2-CD1 4.15Å; L313-L315 PolarHBondContact O-N 3.14Å; L313-L315 VanDerWaalsContact O-N 3.13Å; L315-L319 WeakPolarHBondContact O-CB 3.48Å; L315-L319 PolarHBondContact O-N 3.13Å; L315-L319 VanDerWaalsContact O-N 3.08Å
316	S	98	Very high	94.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.9	-36.7	178.8	64.7	0	0	0	0	113	L313 E314 L319 A320 V328	L313-S316 WeakPolarHBondContact O-CA 3.31Å; L313-S316 WeakPolarHBondContact O-CB 3.39Å; L313-S316 PolarHBondContact O-N 3.12Å; L313-S316 PolarHBondContact O-OG 2.64Å; E314-S316 VanDerWaalsContact C-N 3.33Å; E314-S316 PolarHBondContact O-N 2.9Å; S316-L319 PolarHBondContact O-N 2.96Å; S316-A320 WeakPolarHBondContact O-CB 3.37Å; S316-A320 PolarHBondContact O-N 2.65Å; S316-V328 VanDerWaalsContact OG-CG1 3.26Å; S316-V328 WeakPolarHBondContact OG-CG1 3.17Å
317	L	98.2	Very high	95.3	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-46.2	176.7	-60.2	176.3	0	0	0	111.1	E310 L313 E314 L319 A320 E321 V328 A341 W349	E310-L317 HydrophobicContact CG-CD1 3.81Å; L313-L317 HydrophobicContact CB-CD1 4.1Å; L313-L317 HydrophobicContact CB-CD2 4.45Å; L313-L317 HydrophobicContact CB-CG 4.01Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.18Å; E314-L317 PolarHBondContact O-N 3.03Å; L317-L319 VanDerWaalsContact C-N 3.32Å; L317-L319 PolarHBondContact O-N 3.41Å; L317-A320 WeakPolarHBondContact O-CB 3.46Å; L317-A320 PolarHBondContact O-N 3.5Å; L317-A320 VanDerWaalsContact O-N 3.11Å; L317-E321 WeakPolarHBondContact O-CG 3.43Å; L317-E321 PolarHBondContact O-N 3.16Å; L317-V328 HydrophobicContact CD2-CB 4.3Å; L317-V328 HydrophobicContact CD2-CG2 3.86Å; L317-A341 HydrophobicContact CD2-CB 4Å; L317-W349 HydrophobicContact CB-CD2 4.44Å; L317-W349 HydrophobicContact CB-CZ2 4.37Å; L317-W349 HydrophobicContact CD1-CB 4.43Å; L317-W349 HydrophobicContact CD1-CG 4.1Å; L317-W349 HydrophobicContact CD2-CB 4.36Å; L317-W349 HydrophobicContact CD2-CD2 3.28Å; L317-W349 HydrophobicContact CD2-CE3 3.45Å; L317-W349 VanDerWaalsContact CD2-CE3 3.45Å; L317-W349 HydrophobicContact CD2-CG 3.7Å; L317-W349 HydrophobicContact CD2-CH2 4.18Å; L317-W349 HydrophobicContact CD2-CZ2 4.04Å; L317-W349 HydrophobicContact CD2-CZ3 3.89Å; L317-W349 HydrophobicContact CG-CD2 4.24Å; L317-W349 HydrophobicContact CG-CG 4.3Å
318	R	97.7	Very high	95.7	Very high	135 Å²	135	56.2 Å²	56.2	51%	0.509	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-41.6	175.4	-69.5	178.3	-166.7	175.5	0.8	112.1	E314 A320 E321 K322	E314-R318 VanDerWaalsContact O-CG 3.31Å; E314-R318 WeakPolarHBondContact O-CG 3.36Å; E314-R318 PolarHBondContact O-N 3.22Å; E314-R318 IonicContact OE1-CZ 2.74Å; E314-R318 IonicContact OE1-NE 2.61Å; E314-R318 IonicContact OE1-NH2 3.55Å; E314-R318 PolarHBondContact OE1-NH2 2.9Å; E314-R318 IonicContact OE2-NH2 2.64Å; R318-A320 VanDerWaalsContact C-N 3.34Å; R318-E321 PolarHBondContact O-N 3.39Å; R318-K322 WeakPolarHBondContact O-CB 3.43Å; R318-K322 PolarHBondContact O-N 2.76Å
319	L	98.6	Very high	96.2	Very high	21 Å²	21	50.9 Å²	50.9	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-40.7	175.7	-179.5	61.5	0	0	0	111.3	V261 I286 V288 L315 S316 L317 E321 K322 E323	V261-L319 HydrophobicContact CG1-CD2 4.13Å; V261-L319 HydrophobicContact CG2-CD2 4.35Å; V261-L319 HydrophobicContact CG2-CG 4.16Å; I286-L319 HydrophobicContact CG2-CD2 4.11Å; I286-L319 HydrophobicContact CG2-CG 4.47Å; V288-L319 HydrophobicContact CB-CD2 4.34Å; V288-L319 HydrophobicContact CG2-CD2 3.95Å; L315-L319 WeakPolarHBondContact O-CB 3.48Å; L315-L319 PolarHBondContact O-N 3.13Å; L315-L319 VanDerWaalsContact O-N 3.08Å; S316-L319 PolarHBondContact O-N 2.96Å; L317-L319 VanDerWaalsContact C-N 3.32Å; L317-L319 PolarHBondContact O-N 3.41Å; L319-E321 PolarHBondContact O-N 3.06Å; L319-K322 PolarHBondContact O-N 2.78Å; L319-E323 HydrophobicContact CD1-CG 3.81Å; L319-E323 HydrophobicContact CG-CG 4.32Å; L319-E323 WeakPolarHBondContact O-CB 3.49Å; L319-E323 WeakPolarHBondContact O-CG 3.07Å; L319-E323 PolarHBondContact O-N 2.58Å
320	A	98.3	Very high	96.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-42.1	178.5	0	0	0	0	0	111.8	V261 S316 L317 R318 E323 N324 A325 V328 W349	V261-A320 HydrophobicContact CB-CB 4.26Å; V261-A320 HydrophobicContact CG2-CB 3.82Å; S316-A320 WeakPolarHBondContact O-CB 3.37Å; S316-A320 PolarHBondContact O-N 2.65Å; L317-A320 WeakPolarHBondContact O-CB 3.46Å; L317-A320 PolarHBondContact O-N 3.5Å; L317-A320 VanDerWaalsContact O-N 3.11Å; R318-A320 VanDerWaalsContact C-N 3.34Å; A320-E323 PolarHBondContact O-N 2.91Å; A320-N324 CarbonylContact O-C 3.44Å; A320-N324 WeakPolarHBondContact O-CA 3.35Å; A320-N324 PolarHBondContact O-N 2.93Å; A320-A325 HydrophobicContact CB-CB 4.03Å; A320-A325 PolarHBondContact O-N 2.83Å; A320-V328 HydrophobicContact CB-CG2 3.67Å; A320-W349 HydrophobicContact CB-CH2 3.52Å; A320-W349 HydrophobicContact CB-CZ2 3.66Å
321	E	97.5	Very high	97.1	Very high	98 Å²	98	44.5 Å²	44.5	46%	0.458	22%	0.215	S	C	.	.	H	α-helix	trans	-59.6	-48.2	172.5	-71.7	166.4	-165.1	0	0	111.9	L317 R318 L319 E323 N324 W349	L317-E321 WeakPolarHBondContact O-CG 3.43Å; L317-E321 PolarHBondContact O-N 3.16Å; R318-E321 PolarHBondContact O-N 3.39Å; L319-E321 PolarHBondContact O-N 3.06Å; E321-E323 VanDerWaalsContact C-N 3.3Å; E321-E323 PolarHBondContact O-N 3.41Å; E321-N324 PolarHBondContact O-N 3.46Å; E321-W349 HydrophobicContact CG-CZ2 4.29Å; E321-W349 PolarHBondContact OE1-NE1 3.17Å
322	K	97.9	Very high	97.5	Very high	158 Å²	158	40.1 Å²	40.1	69%	0.687	19%	0.185	S	C	*	.	H	α-helix	trans	-58.7	-40.8	178.2	179.7	-176.6	172.9	-172.4	0	112.6	R318 L319	R318-K322 WeakPolarHBondContact O-CB 3.43Å; R318-K322 PolarHBondContact O-N 2.76Å; L319-K322 PolarHBondContact O-N 2.78Å
323	E	98	Very high	97.7	Very high	64 Å²	64	39.2 Å²	39.2	30%	0.299	18%	0.179	S	C	.	.	H	α-helix	trans	-91.1	-0	-175.4	-66.5	-63.7	151.6	0	0	113.5	K259 I286 L319 A320 E321 A325	K259-E323 WeakPolarHBondContact CD-O 3.19Å; K259-E323 PolarHBondContact NZ-O 2.72Å; I286-E323 HydrophobicContact CD1-CB 3.64Å; I286-E323 HydrophobicContact CD1-CG 3.95Å; I286-E323 HydrophobicContact CG2-CG 4.3Å; L319-E323 HydrophobicContact CD1-CG 3.81Å; L319-E323 HydrophobicContact CG-CG 4.32Å; L319-E323 WeakPolarHBondContact O-CB 3.49Å; L319-E323 WeakPolarHBondContact O-CG 3.07Å; L319-E323 PolarHBondContact O-N 2.58Å; A320-E323 PolarHBondContact O-N 2.91Å; E321-E323 VanDerWaalsContact C-N 3.3Å; E321-E323 PolarHBondContact O-N 3.41Å; E323-A325 VanDerWaalsContact C-N 3.26Å; E323-A325 PolarHBondContact O-N 3.37Å
324	N	96.4	Very high	97.7	Very high	137 Å²	137	39.2 Å²	39.2	73%	0.733	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	43.1	-170.3	-59.2	-77.3	0	0	0	112.1	A320 E321	A320-N324 CarbonylContact O-C 3.44Å; A320-N324 WeakPolarHBondContact O-CA 3.35Å; A320-N324 PolarHBondContact O-N 2.93Å; E321-N324 PolarHBondContact O-N 3.46Å
325	A	97.9	Very high	97.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	16%	0.157	C	C	.	.			trans	-90.9	133.1	170.9	0	0	0	0	0	110.6	K259 V261 A320 E323	K259-A325 HydrophobicContact CB-CB 3.7Å; K259-A325 WeakPolarHBondContact O-CB 3.31Å; V261-A325 HydrophobicContact CG2-CB 3.88Å; A320-A325 HydrophobicContact CB-CB 4.03Å; A320-A325 PolarHBondContact O-N 2.83Å; E323-A325 VanDerWaalsContact C-N 3.26Å; E323-A325 PolarHBondContact O-N 3.37Å
326	R	96.6	Very high	97.8	Very high	60 Å²	60	32.5 Å²	32.5	23%	0.226	15%	0.146	C	C	.	.	S	Bend	trans	-87.9	-24.6	-178.5	-170.6	172.8	72.2	-150.7	-3.3	112.3	L258 K259 E342 L343 E465	L258-R326 HydrophobicContact CD1-CB 3.77Å; K259-R326 PolarHBondContact O-N 2.84Å; R326-E342 HydrophobicContact CG-CG 4.09Å; R326-E342 CarbonylContact O-C 3.37Å; R326-E342 VanDerWaalsContact O-CA 3.29Å; R326-E342 WeakPolarHBondContact O-CA 3.3Å; R326-L343 HydrophobicContact CG-CB 4.36Å; R326-L343 PolarHBondContact O-N 2.81Å; R326-E465 IonicContact NH1-OE1 3.22Å; R326-E465 IonicContact NH2-OE1 2.64Å
327	I	98.6	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.4	-172.7	-54.6	-63.2	0	0	0	110.4	L258 F260 V261 L329 A341 E342 A461 L471	L258-I327 HydrophobicContact CD2-CG1 4.08Å; F260-I327 CarbonylContact C-O 3.55Å; F260-I327 WeakPolarHBondContact CA-O 3.45Å; F260-I327 HydrophobicContact CD1-CB 3.61Å; F260-I327 HydrophobicContact CD1-CG1 4.18Å; F260-I327 HydrophobicContact CD1-CG2 3.77Å; F260-I327 HydrophobicContact CE1-CB 3.93Å; F260-I327 HydrophobicContact CE1-CG1 3.97Å; F260-I327 HydrophobicContact CE1-CG2 4.11Å; V261-I327 PolarHBondContact N-O 2.82Å; I327-L329 HydrophobicContact CG2-CD2 3.98Å; I327-L329 HydrophobicContact CG2-CG 4.18Å; I327-A341 WeakPolarHBondContact CA-O 3.36Å; I327-E342 HydrophobicContact CD1-CB 3.79Å; I327-E342 HydrophobicContact CD1-CG 3.66Å; I327-A461 HydrophobicContact CD1-CB 4.39Å; I327-A461 HydrophobicContact CG1-CB 4.2Å; I327-L471 HydrophobicContact CD1-CD1 3.79Å
328	V	98.8	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.1	168.7	167.4	0	0	0	0	108.7	V261 L313 S316 L317 A320 A340 A341 W349	V261-V328 HydrophobicContact CB-CG2 4.2Å; V261-V328 HydrophobicContact CG1-CG2 4.45Å; L313-V328 HydrophobicContact CD2-CG1 4.44Å; S316-V328 VanDerWaalsContact OG-CG1 3.26Å; S316-V328 WeakPolarHBondContact OG-CG1 3.17Å; L317-V328 HydrophobicContact CD2-CB 4.3Å; L317-V328 HydrophobicContact CD2-CG2 3.86Å; A320-V328 HydrophobicContact CB-CG2 3.67Å; V328-A340 CarbonylContact O-C 3.55Å; V328-A340 VanDerWaalsContact O-CA 3.22Å; V328-A340 WeakPolarHBondContact O-CA 3.13Å; V328-A341 HydrophobicContact CB-CB 4.28Å; V328-A341 PolarHBondContact N-O 3.44Å; V328-A341 PolarHBondContact O-N 3.32Å; V328-W349 HydrophobicContact CB-CZ3 4.42Å; V328-W349 HydrophobicContact CG2-CH2 3.78Å; V328-W349 HydrophobicContact CG2-CZ3 3.89Å
329	L	98.8	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.8	174.2	-59	173.2	0	0	0	108.7	F260 V261 H262 T263 F277 I327 L338 A340 A454 V457	F260-L329 HydrophobicContact CD1-CD1 4.4Å; V261-L329 PolarHBondContact O-N 3.2Å; H262-L329 VanDerWaalsContact CA-O 3.29Å; H262-L329 WeakPolarHBondContact CA-O 3.44Å; H262-L329 PolarHBondContact CD2-O 3.17Å; T263-L329 PolarHBondContact N-O 2.96Å; F277-L329 HydrophobicContact CE2-CD1 3.91Å; F277-L329 HydrophobicContact CZ-CD1 3.59Å; I327-L329 HydrophobicContact CG2-CD2 3.98Å; I327-L329 HydrophobicContact CG2-CG 4.18Å; L329-L338 HydrophobicContact CB-CD1 4.22Å; L329-L338 HydrophobicContact CD2-CD1 4.46Å; L329-A340 HydrophobicContact CD2-CB 4Å; L329-A454 HydrophobicContact CD1-CB 4.17Å; L329-A454 WeakPolarHBondContact CD1-O 3.37Å; L329-V457 HydrophobicContact CD2-CB 4.02Å; L329-V457 HydrophobicContact CD2-CG1 3.73Å
330	A	98.4	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.4	-178.1	0	0	0	0	0	110.8	T263 F265 P306 L313 L338 A339	T263-A330 HydrophobicContact CG2-CB 3.56Å; T263-A330 WeakPolarHBondContact O-CA 3.29Å; F265-A330 HydrophobicContact CE2-CB 4.26Å; F265-A330 HydrophobicContact CZ-CB 4.26Å; P306-A330 HydrophobicContact CB-CB 4.2Å; L313-A330 HydrophobicContact CD2-CB 3.42Å; L313-A330 VanDerWaalsContact CD2-CB 3.42Å; A330-L338 CarbonylContact O-C 3.46Å; A330-L338 WeakPolarHBondContact O-CA 3.3Å; A330-A339 HydrophobicContact CB-CB 4.38Å; A330-A339 PolarHBondContact N-O 3.39Å; A330-A339 PolarHBondContact O-N 3Å
331	T	98.2	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	144	172.9	53.9	0	0	0	0	110	H262 T263 V273 R337 L338	H262-T331 PolarHBondContact NE2-OG1 2.58Å; T263-T331 PolarHBondContact O-N 3.21Å; T263-T331 PolarHBondContact O-OG1 3.29Å; V273-T331 HydrophobicContact CG2-CG2 4.23Å; T331-R337 WeakPolarHBondContact CA-O 3.23Å; T331-L338 HydrophobicContact CG2-CD1 4.17Å
332	D	96.6	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.			trans	-70.9	173	172.3	77.4	-37.4	0	0	0	111.5	S175 H176 P306 D334 A335 D336 R337	S175-D332 PolarHBondContact OG-OD2 3.35Å; H176-D332 HydrophobicContact CB-CB 4.28Å; H176-D332 PolarHBondContact N-OD2 3.07Å; P306-D332 HydrophobicContact CG-CB 3.88Å; D332-D334 VanDerWaalsContact C-N 3.27Å; D332-D334 PolarHBondContact O-N 3.06Å; D332-D334 VanDerWaalsContact O-N 3.14Å; D332-A335 WeakPolarHBondContact O-CA 3.37Å; D332-A335 PolarHBondContact O-N 3.38Å; D332-A335 WeakPolarHBondContact OD1-CA 3.33Å; D332-A335 PolarHBondContact OD1-N 3.5Å; D332-D336 PolarHBondContact OD1-N 3Å; D332-R337 HydrophobicContact CB-CB 4.17Å; D332-R337 PolarHBondContact OD1-N 2.88Å
333	P	96.1	Very high	97.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.2	-169.2	-31.2	36.3	0	0	0	116.3	G267 V268 F298 P304	G267-P333 CarbonylContact C-O 3.56Å; G267-P333 WeakPolarHBondContact CA-O 3.43Å; V268-P333 WeakPolarHBondContact CG2-O 3.39Å; V268-P333 PolarHBondContact N-O 3Å; F298-P333 HydrophobicContact CD1-CG 4.46Å; F298-P333 HydrophobicContact CE1-CB 3.75Å; F298-P333 HydrophobicContact CE1-CG 3.95Å; F298-P333 HydrophobicContact CE2-CG 4.28Å; F298-P333 HydrophobicContact CZ-CB 3.7Å; F298-P333 HydrophobicContact CZ-CG 3.84Å; P304-P333 HydrophobicContact CB-CG 3.45Å; P304-P333 VanDerWaalsContact CB-CG 3.45Å; P304-P333 HydrophobicContact CG-CG 3.32Å; P304-P333 VanDerWaalsContact O-CD 3.32Å; P304-P333 WeakPolarHBondContact O-CD 3.26Å
334	D	97.1	Very high	97.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	6.7	176.6	74.1	-29.5	0	0	0	113	D116 P153 T154 M171 T173 S175 K185 D332 D336	D116-D334 HydrophobicContact CB-CB 4.36Å; P153-D334 CarbonylContact C-O 3.53Å; P153-D334 WeakPolarHBondContact CA-O 3.35Å; T154-D334 PolarHBondContact N-O 3.01Å; T154-D334 VanDerWaalsContact OG1-CB 3.29Å; T154-D334 WeakPolarHBondContact OG1-CB 3.42Å; T154-D334 PolarHBondContact OG1-OD2 3.39Å; M171-D334 HydrophobicContact CE-CB 4.47Å; T173-D334 HydrophobicContact CG2-CB 4.23Å; T173-D334 WeakPolarHBondContact CG2-OD2 3.25Å; T173-D334 WeakPolarHBondContact OG1-CB 3.21Å; S175-D334 VanDerWaalsContact CA-OD1 3.29Å; S175-D334 WeakPolarHBondContact CA-OD1 3.24Å; S175-D334 WeakPolarHBondContact CB-OD1 3.48Å; S175-D334 PolarHBondContact OG-OD1 3.18Å; K185-D334 IonicContact NZ-OD2 3.01Å; K185-D334 PolarHBondContact NZ-OD2 3.29Å; D332-D334 VanDerWaalsContact C-N 3.27Å; D332-D334 PolarHBondContact O-N 3.06Å; D332-D334 VanDerWaalsContact O-N 3.14Å; D334-D336 PolarHBondContact O-N 3.27Å
335	A	97.8	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	54.8	31.9	173.6	0	0	0	0	0	114.8	P153 V268 D332 G450 V451	P153-A335 HydrophobicContact CB-CB 4.13Å; P153-A335 HydrophobicContact CG-CB 4.49Å; V268-A335 HydrophobicContact CG2-CB 3.98Å; D332-A335 WeakPolarHBondContact O-CA 3.37Å; D332-A335 PolarHBondContact O-N 3.38Å; D332-A335 WeakPolarHBondContact OD1-CA 3.33Å; D332-A335 PolarHBondContact OD1-N 3.5Å; A335-G450 WeakPolarHBondContact O-CA 3.28Å; A335-G450 PolarHBondContact O-N 2.73Å; A335-G450 VanDerWaalsContact O-N 3.12Å; A335-V451 HydrophobicContact CB-CG2 4.12Å
336	D	97.4	Very high	97.2	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	10%	0.104	C	C	.	.			trans	-90	-15.4	170.7	83.2	8.9	0	0	0	112.2	T154 K185 D332 D334 K448 G450	T154-D336 HydrophobicContact CG2-CB 4.11Å; K185-D336 IonicContact NZ-OD2 3.02Å; K185-D336 PolarHBondContact NZ-OD2 3.16Å; D332-D336 PolarHBondContact OD1-N 3Å; D334-D336 PolarHBondContact O-N 3.27Å; D336-K448 HydrophobicContact CB-CB 4.09Å; D336-K448 CarbonylContact O-C 3.45Å; D336-K448 WeakPolarHBondContact O-CB 3.45Å; D336-K448 WeakPolarHBondContact OD1-CE 3.45Å; D336-K448 WeakPolarHBondContact OD2-CE 3.27Å; D336-K448 IonicContact OD2-NZ 2.8Å; D336-K448 PolarHBondContact OD2-NZ 3.45Å; D336-G450 PolarHBondContact O-N 3.32Å
337	R	97.6	Very high	97.1	Very high	25 Å²	25	21.3 Å²	21.3	9%	0.094	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-114.9	160.4	177.5	-70.7	162	-173.3	-136	-11.7	113.5	H176 E307 T331 D332 I437	H176-R337 VanDerWaalsContact CE1-CZ 3.48Å; H176-R337 PolarHBondContact CE1-NH1 3.41Å; H176-R337 VanDerWaalsContact CE1-NH1 3.27Å; H176-R337 PolarHBondContact CE1-NH2 3.03Å; H176-R337 VanDerWaalsContact ND1-CZ 3.27Å; H176-R337 PolarHBondContact ND1-NH1 2.94Å; H176-R337 VanDerWaalsContact ND1-NH1 3.16Å; E307-R337 IonicContact OE2-NH1 3.95Å; T331-R337 WeakPolarHBondContact CA-O 3.23Å; D332-R337 HydrophobicContact CB-CB 4.17Å; D332-R337 PolarHBondContact OD1-N 2.88Å; R337-I437 WeakPolarHBondContact CA-O 3.34Å; R337-I437 HydrophobicContact CB-CD1 3.92Å; R337-I437 HydrophobicContact CB-CG1 3.9Å; R337-I437 HydrophobicContact CG-CD1 4.49Å; R337-I437 HydrophobicContact CG-CG1 4.05Å
338	L	98.4	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	123.4	173.6	179.9	75.6	0	0	0	112.2	L329 A330 T331 F361 I437 F439 A453 A454 V457	L329-L338 HydrophobicContact CB-CD1 4.22Å; L329-L338 HydrophobicContact CD2-CD1 4.46Å; A330-L338 CarbonylContact O-C 3.46Å; A330-L338 WeakPolarHBondContact O-CA 3.3Å; T331-L338 HydrophobicContact CG2-CD1 4.17Å; L338-F361 HydrophobicContact CD2-CZ 4.41Å; L338-I437 PolarHBondContact N-O 3.15Å; L338-I437 VanDerWaalsContact N-O 3.09Å; L338-I437 WeakPolarHBondContact O-CB 3.33Å; L338-F439 HydrophobicContact CB-CD2 4.24Å; L338-F439 HydrophobicContact CB-CE2 4.35Å; L338-F439 WeakPolarHBondContact O-CE2 3.34Å; L338-A453 HydrophobicContact CB-CB 4.06Å; L338-A453 HydrophobicContact CD2-CB 3.59Å; L338-A453 HydrophobicContact CG-CB 4.46Å; L338-A454 HydrophobicContact CD1-CB 3.89Å; L338-A454 HydrophobicContact CD2-CB 4.43Å; L338-V457 HydrophobicContact CD2-CG2 3.91Å
339	A	98.4	Very high	96.9	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.017	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	153.6	156.1	0	0	0	0	0	110.7	P306 A330 I437	P306-A339 HydrophobicContact CB-CB 3.53Å; A330-A339 HydrophobicContact CB-CB 4.38Å; A330-A339 PolarHBondContact N-O 3.39Å; A330-A339 PolarHBondContact O-N 3Å; A339-I437 HydrophobicContact CB-CD1 4.42Å
340	A	98.6	Very high	96.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.8	170.7	0	0	0	0	0	110.7	V328 L329 F352 L357 V457	V328-A340 CarbonylContact O-C 3.55Å; V328-A340 VanDerWaalsContact O-CA 3.22Å; V328-A340 WeakPolarHBondContact O-CA 3.13Å; L329-A340 HydrophobicContact CD2-CB 4Å; A340-F352 WeakPolarHBondContact O-CD2 3.28Å; A340-F352 PolarHBondContact O-N 3.02Å; A340-F352 VanDerWaalsContact O-N 3.12Å; A340-L357 HydrophobicContact CB-CD1 4.23Å; A340-L357 HydrophobicContact CB-CD2 4.09Å; A340-V457 HydrophobicContact CB-CG1 4.25Å
341	A	98.6	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.3	172.3	0	0	0	0	0	110.6	L313 L317 I327 V328 W349 K350 V351	L313-A341 HydrophobicContact CD1-CB 4.37Å; L317-A341 HydrophobicContact CD2-CB 4Å; I327-A341 WeakPolarHBondContact CA-O 3.36Å; V328-A341 HydrophobicContact CB-CB 4.28Å; V328-A341 PolarHBondContact N-O 3.44Å; V328-A341 PolarHBondContact O-N 3.32Å; A341-W349 HydrophobicContact CB-CE3 3.84Å; A341-W349 HydrophobicContact CB-CZ3 4.3Å; A341-K350 CarbonylContact C-O 3.46Å; A341-K350 WeakPolarHBondContact CA-O 3.46Å; A341-V351 HydrophobicContact CB-CG2 4.12Å
342	E	98.4	Very high	96.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.2	179	179.9	-179.2	-119.1	0	0	111.1	R326 I327 Q344 W349 K350 F352 T470 L471 K472	R326-E342 HydrophobicContact CG-CG 4.09Å; R326-E342 CarbonylContact O-C 3.37Å; R326-E342 VanDerWaalsContact O-CA 3.29Å; R326-E342 WeakPolarHBondContact O-CA 3.3Å; I327-E342 HydrophobicContact CD1-CB 3.79Å; I327-E342 HydrophobicContact CD1-CG 3.66Å; E342-Q344 PolarHBondContact O-N 3.32Å; E342-Q344 PolarHBondContact O-NE2 2.75Å; E342-Q344 PolarHBondContact OE2-NE2 3.15Å; E342-Q344 VanDerWaalsContact OE2-NE2 3.07Å; E342-W349 VanDerWaalsContact C-CE3 3.41Å; E342-K350 PolarHBondContact N-O 2.93Å; E342-K350 PolarHBondContact O-N 3.21Å; E342-F352 HydrophobicContact CB-CE2 3.7Å; E342-F352 HydrophobicContact CB-CZ 4.18Å; E342-T470 WeakPolarHBondContact OE1-CB 3.43Å; E342-T470 WeakPolarHBondContact OE2-CB 3.49Å; E342-L471 PolarHBondContact OE1-N 3.23Å; E342-L471 PolarHBondContact OE2-N 3.08Å; E342-K472 PolarHBondContact OE2-N 3.29Å
343	L	97.6	Very high	96.8	Very high	48 Å²	48	32.7 Å²	32.7	25%	0.251	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.6	173.1	-176.4	64.4	0	0	0	109.5	R326 W349	R326-L343 HydrophobicContact CG-CB 4.36Å; R326-L343 PolarHBondContact O-N 2.81Å; L343-W349 HydrophobicContact CB-CD2 4.33Å; L343-W349 HydrophobicContact CB-CE3 4.15Å; L343-W349 HydrophobicContact CB-CH2 3.78Å; L343-W349 HydrophobicContact CB-CZ2 3.97Å; L343-W349 HydrophobicContact CB-CZ3 3.89Å; L343-W349 HydrophobicContact CD1-CD2 4.24Å; L343-W349 HydrophobicContact CD1-CZ2 4.19Å; L343-W349 HydrophobicContact CG-CZ2 4.49Å; L343-W349 VanDerWaalsContact N-CE3 3.32Å
344	Q	95.9	Very high	96.9	Very high	21 Å²	21	32.9 Å²	32.9	10%	0.098	18%	0.184	C	C	.	.			trans	-93.9	161.4	-178.5	-54.9	-58.2	-62.3	0	0	111.2	E342 N346 G347 S348 K350 K472	E342-Q344 PolarHBondContact O-N 3.32Å; E342-Q344 PolarHBondContact O-NE2 2.75Å; E342-Q344 PolarHBondContact OE2-NE2 3.15Å; E342-Q344 VanDerWaalsContact OE2-NE2 3.07Å; Q344-N346 VanDerWaalsContact CB-OD1 3.27Å; Q344-N346 WeakPolarHBondContact CB-OD1 3.39Å; Q344-N346 PolarHBondContact O-N 3.29Å; Q344-N346 VanDerWaalsContact O-N 3.16Å; Q344-G347 PolarHBondContact O-N 3.21Å; Q344-S348 VanDerWaalsContact CB-O 3.27Å; Q344-S348 WeakPolarHBondContact CB-O 3.39Å; Q344-S348 WeakPolarHBondContact CG-O 3.3Å; Q344-S348 PolarHBondContact N-O 3.02Å; Q344-K350 HydrophobicContact CG-CB 3.95Å; Q344-K472 HydrophobicContact CG-CD 4.43Å
345	E	91.3	Very high	96.9	Very high	176 Å²	176	33.4 Å²	33.4	82%	0.822	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.6	-177.8	-65.4	176.5	-179.5	0	0	113.8	G347	E345-G347 PolarHBondContact O-N 2.82Å
346	N	92.9	Very high	97	Very high	123 Å²	123	34.8 Å²	34.8	66%	0.658	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	4	175.6	69.1	-13	0	0	0	113.5	Q344 S348	Q344-N346 VanDerWaalsContact CB-OD1 3.27Å; Q344-N346 WeakPolarHBondContact CB-OD1 3.39Å; Q344-N346 PolarHBondContact O-N 3.29Å; Q344-N346 VanDerWaalsContact O-N 3.16Å; N346-S348 VanDerWaalsContact C-N 3.32Å; N346-S348 PolarHBondContact ND2-OG 2.87Å; N346-S348 PolarHBondContact O-N 3.04Å; N346-S348 PolarHBondContact OD1-N 3.49Å; N346-S348 PolarHBondContact OD1-OG 2.87Å
347	G	93.2	Very high	97	Very high	49 Å²	49	34.8 Å²	34.8	51%	0.505	19%	0.193	S	C	.	.	S	Bend	trans	81.7	-2	-178.2	0	0	0	0	0	115.4	Q344 E345	Q344-G347 PolarHBondContact O-N 3.21Å; E345-G347 PolarHBondContact O-N 2.82Å
348	S	95.6	Very high	97.1	Very high	53 Å²	53	33.6 Å²	33.6	37%	0.371	19%	0.189	S	C	.	.			trans	-86.6	152.7	176.9	72.4	0	0	0	0	112	Q344 N346	Q344-S348 VanDerWaalsContact CB-O 3.27Å; Q344-S348 WeakPolarHBondContact CB-O 3.39Å; Q344-S348 WeakPolarHBondContact CG-O 3.3Å; Q344-S348 PolarHBondContact N-O 3.02Å; N346-S348 VanDerWaalsContact C-N 3.32Å; N346-S348 PolarHBondContact ND2-OG 2.87Å; N346-S348 PolarHBondContact O-N 3.04Å; N346-S348 PolarHBondContact OD1-N 3.49Å; N346-S348 PolarHBondContact OD1-OG 2.87Å
349	W	97.6	Very high	97.1	Very high	27 Å²	27	33.6 Å²	33.6	10%	0.102	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.6	172.1	-75	96.9	0	0	0	112.2	L317 A320 E321 V328 A341 E342 L343	L317-W349 HydrophobicContact CB-CD2 4.44Å; L317-W349 HydrophobicContact CB-CZ2 4.37Å; L317-W349 HydrophobicContact CD1-CB 4.43Å; L317-W349 HydrophobicContact CD1-CG 4.1Å; L317-W349 HydrophobicContact CD2-CB 4.36Å; L317-W349 HydrophobicContact CD2-CD2 3.28Å; L317-W349 HydrophobicContact CD2-CE3 3.45Å; L317-W349 VanDerWaalsContact CD2-CE3 3.45Å; L317-W349 HydrophobicContact CD2-CG 3.7Å; L317-W349 HydrophobicContact CD2-CH2 4.18Å; L317-W349 HydrophobicContact CD2-CZ2 4.04Å; L317-W349 HydrophobicContact CD2-CZ3 3.89Å; L317-W349 HydrophobicContact CG-CD2 4.24Å; L317-W349 HydrophobicContact CG-CG 4.3Å; A320-W349 HydrophobicContact CB-CH2 3.52Å; A320-W349 HydrophobicContact CB-CZ2 3.66Å; E321-W349 HydrophobicContact CG-CZ2 4.29Å; E321-W349 PolarHBondContact OE1-NE1 3.17Å; V328-W349 HydrophobicContact CB-CZ3 4.42Å; V328-W349 HydrophobicContact CG2-CH2 3.78Å; V328-W349 HydrophobicContact CG2-CZ3 3.89Å; A341-W349 HydrophobicContact CB-CE3 3.84Å; A341-W349 HydrophobicContact CB-CZ3 4.3Å; E342-W349 VanDerWaalsContact C-CE3 3.41Å; L343-W349 HydrophobicContact CB-CD2 4.33Å; L343-W349 HydrophobicContact CB-CE3 4.15Å; L343-W349 HydrophobicContact CB-CH2 3.78Å; L343-W349 HydrophobicContact CB-CZ2 3.97Å; L343-W349 HydrophobicContact CB-CZ3 3.89Å; L343-W349 HydrophobicContact CD1-CD2 4.24Å; L343-W349 HydrophobicContact CD1-CZ2 4.19Å; L343-W349 HydrophobicContact CG-CZ2 4.49Å; L343-W349 VanDerWaalsContact N-CE3 3.32Å
350	K	97.4	Very high	97.1	Very high	49 Å²	49	33.6 Å²	33.6	21%	0.213	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	103.4	163.7	174	55	178.3	168.7	0	108.3	A341 E342 Q344 F352 E356 K472	A341-K350 CarbonylContact C-O 3.46Å; A341-K350 WeakPolarHBondContact CA-O 3.46Å; E342-K350 PolarHBondContact N-O 2.93Å; E342-K350 PolarHBondContact O-N 3.21Å; Q344-K350 HydrophobicContact CG-CB 3.95Å; K350-F352 HydrophobicContact CG-CD1 4.24Å; K350-F352 HydrophobicContact CG-CD2 4.4Å; K350-F352 HydrophobicContact CG-CE1 3.93Å; K350-F352 HydrophobicContact CG-CE2 4.1Å; K350-F352 HydrophobicContact CG-CG 4.46Å; K350-F352 HydrophobicContact CG-CZ 3.84Å; K350-E356 WeakPolarHBondContact CE-OE1 3.14Å; K350-E356 IonicContact NZ-OE1 3.56Å; K350-E356 PolarHBondContact NZ-OE1 2.98Å; K350-E356 IonicContact NZ-OE2 3.88Å; K350-E356 PolarHBondContact NZ-OE2 2.87Å; K350-K472 HydrophobicContact CG-CG 4.47Å
351	V	97.8	Very high	97.1	Very high	35 Å²	35	33.6 Å²	33.6	21%	0.212	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.8	164.9	-174.2	0	0	0	0	108.1	E310 L313 A341	E310-V351 HydrophobicContact CB-CG2 4.34Å; L313-V351 HydrophobicContact CD1-CG1 4.12Å; L313-V351 HydrophobicContact CD1-CG2 4.22Å; A341-V351 HydrophobicContact CB-CG2 4.12Å
352	F	98	Very high	97.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.018	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-83.8	134.6	179.2	-63.3	-90.5	0	0	0	110.3	A340 E342 K350 E356 L357 L360 L471 K472 L475	A340-F352 WeakPolarHBondContact O-CD2 3.28Å; A340-F352 PolarHBondContact O-N 3.02Å; A340-F352 VanDerWaalsContact O-N 3.12Å; E342-F352 HydrophobicContact CB-CE2 3.7Å; E342-F352 HydrophobicContact CB-CZ 4.18Å; K350-F352 HydrophobicContact CG-CD1 4.24Å; K350-F352 HydrophobicContact CG-CD2 4.4Å; K350-F352 HydrophobicContact CG-CE1 3.93Å; K350-F352 HydrophobicContact CG-CE2 4.1Å; K350-F352 HydrophobicContact CG-CG 4.46Å; K350-F352 HydrophobicContact CG-CZ 3.84Å; F352-E356 WeakPolarHBondContact CA-OE2 3.33Å; F352-E356 HydrophobicContact CB-CB 4.36Å; F352-E356 HydrophobicContact CD1-CB 4.21Å; F352-L357 HydrophobicContact CB-CD1 4.31Å; F352-L357 HydrophobicContact CB-CD2 3.66Å; F352-L357 HydrophobicContact CB-CG 3.59Å; F352-L357 HydrophobicContact CD2-CD2 4.26Å; F352-L357 HydrophobicContact CG-CD2 3.95Å; F352-L357 HydrophobicContact CG-CG 4.41Å; F352-L360 HydrophobicContact CD1-CD1 4.26Å; F352-L360 HydrophobicContact CE1-CD1 4.07Å; F352-L471 HydrophobicContact CE1-CB 4.38Å; F352-L471 HydrophobicContact CE2-CB 4.24Å; F352-L471 HydrophobicContact CE2-CD1 4.42Å; F352-L471 HydrophobicContact CZ-CB 3.66Å; F352-K472 HydrophobicContact CE1-CB 4.49Å; F352-K472 HydrophobicContact CZ-CB 4.32Å; F352-L475 HydrophobicContact CD1-CD2 4.19Å; F352-L475 HydrophobicContact CE1-CD2 4.16Å
353	T	97.4	Very high	97.1	Very high	71 Å²	71	35 Å²	35	44%	0.436	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-69.7	161.2	167.9	68	0	0	0	0	110.4	N355 E356 L357	T353-N355 PolarHBondContact O-N 2.94Å; T353-E356 PolarHBondContact N-OE2 2.74Å; T353-E356 PolarHBondContact O-N 3.03Å; T353-E356 VanDerWaalsContact O-N 3.12Å; T353-E356 VanDerWaalsContact OG1-CG 3.27Å; T353-E356 WeakPolarHBondContact OG1-CG 3.41Å; T353-E356 PolarHBondContact OG1-N 2.96Å; T353-E356 PolarHBondContact OG1-OE2 3.4Å; T353-L357 PolarHBondContact O-N 2.91Å
354	G	97.4	Very high	97.2	Very high	4 Å²	4	32.7 Å²	32.7	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-35	175.5	0	0	0	0	0	113.3	A358 E435 F439	G354-A358 VanDerWaalsContact O-CB 3.29Å; G354-A358 WeakPolarHBondContact O-CB 3.48Å; G354-A358 PolarHBondContact O-N 2.74Å; G354-E435 WeakPolarHBondContact CA-O 3.26Å; G354-F439 WeakPolarHBondContact O-CE1 3.46Å
355	N	98.2	Very high	97.3	Very high	11 Å²	11	32 Å²	32	6%	0.059	18%	0.178	C	C	.	.	H	α-helix	trans	-67.7	-40.6	175.3	-74	-22.2	0	0	0	112.7	T353 A358 A359 S391 F433 E435 S487	T353-N355 PolarHBondContact O-N 2.94Å; N355-A358 PolarHBondContact O-N 3.12Å; N355-A359 PolarHBondContact O-N 3.1Å; N355-S391 WeakPolarHBondContact OD1-CB 3.41Å; N355-S391 PolarHBondContact OD1-N 2.9Å; N355-F433 WeakPolarHBondContact OD1-CE2 3.32Å; N355-E435 VanDerWaalsContact OD1-CB 3.27Å; N355-E435 WeakPolarHBondContact OD1-CB 3.19Å; N355-S487 VanDerWaalsContact ND2-CB 3.28Å; N355-S487 WeakPolarHBondContact ND2-CB 3.34Å; N355-S487 PolarHBondContact ND2-OG 3.46Å
356	E	98.4	Very high	97.7	Very high	30 Å²	30	23.9 Å²	23.9	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-41.3	176.8	-71	172.6	137.9	0	0	111.7	K350 F352 T353 A358 A359 L360 L475	K350-E356 WeakPolarHBondContact CE-OE1 3.14Å; K350-E356 IonicContact NZ-OE1 3.56Å; K350-E356 PolarHBondContact NZ-OE1 2.98Å; K350-E356 IonicContact NZ-OE2 3.88Å; K350-E356 PolarHBondContact NZ-OE2 2.87Å; F352-E356 WeakPolarHBondContact CA-OE2 3.33Å; F352-E356 HydrophobicContact CB-CB 4.36Å; F352-E356 HydrophobicContact CD1-CB 4.21Å; T353-E356 PolarHBondContact N-OE2 2.74Å; T353-E356 PolarHBondContact O-N 3.03Å; T353-E356 VanDerWaalsContact O-N 3.12Å; T353-E356 VanDerWaalsContact OG1-CG 3.27Å; T353-E356 WeakPolarHBondContact OG1-CG 3.41Å; T353-E356 PolarHBondContact OG1-N 2.96Å; T353-E356 PolarHBondContact OG1-OE2 3.4Å; E356-A358 VanDerWaalsContact C-N 3.32Å; E356-A359 WeakPolarHBondContact O-CB 2.97Å; E356-A359 PolarHBondContact O-N 3.23Å; E356-L360 PolarHBondContact O-N 2.99Å; E356-L475 HydrophobicContact CB-CD1 4.38Å; E356-L475 HydrophobicContact CB-CD2 3.8Å; E356-L475 HydrophobicContact CG-CD2 3.82Å
357	L	98.6	Very high	97.9	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-41.1	172.3	-73.3	178.7	0	0	0	111.3	A340 F352 T353 A359 L360 F361 F439	A340-L357 HydrophobicContact CB-CD1 4.23Å; A340-L357 HydrophobicContact CB-CD2 4.09Å; F352-L357 HydrophobicContact CB-CD1 4.31Å; F352-L357 HydrophobicContact CB-CD2 3.66Å; F352-L357 HydrophobicContact CB-CG 3.59Å; F352-L357 HydrophobicContact CD2-CD2 4.26Å; F352-L357 HydrophobicContact CG-CD2 3.95Å; F352-L357 HydrophobicContact CG-CG 4.41Å; T353-L357 PolarHBondContact O-N 2.91Å; L357-A359 VanDerWaalsContact C-N 3.29Å; L357-A359 PolarHBondContact O-N 2.94Å; L357-L360 HydrophobicContact CD2-CD1 4.5Å; L357-L360 CarbonylContact O-C 3.57Å; L357-L360 WeakPolarHBondContact O-CB 3.34Å; L357-L360 PolarHBondContact O-N 3.04Å; L357-L360 VanDerWaalsContact O-N 3.14Å; L357-F361 HydrophobicContact CB-CD2 4.18Å; L357-F361 HydrophobicContact CB-CE2 4.1Å; L357-F361 WeakPolarHBondContact O-CD2 3.21Å; L357-F361 PolarHBondContact O-N 3.27Å; L357-F439 HydrophobicContact CB-CE1 4.05Å; L357-F439 HydrophobicContact CB-CE2 4.3Å; L357-F439 HydrophobicContact CB-CZ 3.56Å; L357-F439 HydrophobicContact CD1-CE2 3.97Å; L357-F439 HydrophobicContact CD1-CZ 3.91Å; L357-F439 HydrophobicContact CG-CZ 4.38Å
358	A	98.5	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-33.4	176.8	0	0	0	0	0	113.4	G354 N355 E356 L360 G362 F431 F433 F439	G354-A358 VanDerWaalsContact O-CB 3.29Å; G354-A358 WeakPolarHBondContact O-CB 3.48Å; G354-A358 PolarHBondContact O-N 2.74Å; N355-A358 PolarHBondContact O-N 3.12Å; E356-A358 VanDerWaalsContact C-N 3.32Å; A358-L360 VanDerWaalsContact C-N 3.35Å; A358-G362 PolarHBondContact O-N 3.4Å; A358-F431 HydrophobicContact CB-CE1 4.13Å; A358-F431 HydrophobicContact CB-CZ 4.29Å; A358-F433 HydrophobicContact CB-CB 4.27Å; A358-F433 HydrophobicContact CB-CD1 3.69Å; A358-F433 HydrophobicContact CB-CD2 3.23Å; A358-F433 HydrophobicContact CB-CE1 3.68Å; A358-F433 HydrophobicContact CB-CE2 3.21Å; A358-F433 HydrophobicContact CB-CG 3.45Å; A358-F433 VanDerWaalsContact CB-CG 3.45Å; A358-F433 HydrophobicContact CB-CZ 3.44Å; A358-F433 VanDerWaalsContact CB-CZ 3.44Å; A358-F439 HydrophobicContact CB-CE1 4.23Å
359	A	98.8	Very high	98.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.8	-45.9	171.5	0	0	0	0	0	111.2	N355 E356 L357 W363 I393 L475 V478 Y479	N355-A359 PolarHBondContact O-N 3.1Å; E356-A359 WeakPolarHBondContact O-CB 2.97Å; E356-A359 PolarHBondContact O-N 3.23Å; L357-A359 VanDerWaalsContact C-N 3.29Å; L357-A359 PolarHBondContact O-N 2.94Å; A359-W363 WeakPolarHBondContact O-CB 3.37Å; A359-W363 PolarHBondContact O-N 3.45Å; A359-I393 HydrophobicContact CB-CB 4.44Å; A359-I393 HydrophobicContact CB-CG1 3.69Å; A359-I393 HydrophobicContact CB-CG2 4.09Å; A359-L475 HydrophobicContact CB-CD1 3.72Å; A359-V478 HydrophobicContact CB-CG1 4.23Å; A359-Y479 HydrophobicContact CB-CE1 4.35Å
360	L	98.9	Very high	98.2	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-64.9	-47.7	176.5	-73.5	171	0	0	0	112.1	F352 E356 L357 A358 W363 W364 M460 L471 Q474 L475	F352-L360 HydrophobicContact CD1-CD1 4.26Å; F352-L360 HydrophobicContact CE1-CD1 4.07Å; E356-L360 PolarHBondContact O-N 2.99Å; L357-L360 HydrophobicContact CD2-CD1 4.5Å; L357-L360 CarbonylContact O-C 3.57Å; L357-L360 WeakPolarHBondContact O-CB 3.34Å; L357-L360 PolarHBondContact O-N 3.04Å; L357-L360 VanDerWaalsContact O-N 3.14Å; A358-L360 VanDerWaalsContact C-N 3.35Å; L360-W363 PolarHBondContact O-N 3.29Å; L360-W364 VanDerWaalsContact O-CB 3.25Å; L360-W364 WeakPolarHBondContact O-CB 3.5Å; L360-W364 PolarHBondContact O-N 2.85Å; L360-M460 HydrophobicContact CB-CE 4.16Å; L360-M460 HydrophobicContact CB-SD 3.76Å; L360-M460 HydrophobicContact CD2-SD 4.22Å; L360-M460 HydrophobicContact CG-SD 4.46Å; L360-L471 HydrophobicContact CD1-CB 4.23Å; L360-L471 HydrophobicContact CD1-CD2 4.29Å; L360-Q474 HydrophobicContact CD2-CB 4.15Å; L360-Q474 HydrophobicContact CD2-CG 3.97Å; L360-L475 HydrophobicContact CD1-CB 4.46Å; L360-L475 HydrophobicContact CD2-CB 4.06Å; L360-L475 HydrophobicContact CG-CB 4.27Å; L360-L475 HydrophobicContact CG-CD1 4.28Å
361	F	98.9	Very high	98.1	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-46.9	176	-78.6	-65.3	0	0	0	112.1	L338 L357 W363 W364 M365 F431 F439 A453 V456 V457 M460	L338-F361 HydrophobicContact CD2-CZ 4.41Å; L357-F361 HydrophobicContact CB-CD2 4.18Å; L357-F361 HydrophobicContact CB-CE2 4.1Å; L357-F361 WeakPolarHBondContact O-CD2 3.21Å; L357-F361 PolarHBondContact O-N 3.27Å; F361-W363 VanDerWaalsContact C-N 3.32Å; F361-W363 PolarHBondContact O-N 2.85Å; F361-W364 PolarHBondContact O-N 3.22Å; F361-M365 WeakPolarHBondContact O-CB 3.46Å; F361-M365 VanDerWaalsContact O-CG 3.23Å; F361-M365 WeakPolarHBondContact O-CG 3.16Å; F361-M365 PolarHBondContact O-N 3.12Å; F361-F431 HydrophobicContact CB-CD1 4.38Å; F361-F431 HydrophobicContact CB-CD2 4.06Å; F361-F431 HydrophobicContact CB-CE1 3.81Å; F361-F431 HydrophobicContact CB-CE2 3.46Å; F361-F431 VanDerWaalsContact CB-CE2 3.46Å; F361-F431 HydrophobicContact CB-CG 4.49Å; F361-F431 HydrophobicContact CB-CZ 3.31Å; F361-F431 HydrophobicContact CD1-CE2 4.4Å; F361-F431 HydrophobicContact CD2-CE2 4.19Å; F361-F431 HydrophobicContact CD2-CZ 4.03Å; F361-F431 AromaticContact CG-CE2 3.81Å; F361-F431 HydrophobicContact CG-CE2 3.81Å; F361-F431 AromaticContact CG-CZ 3.9Å; F361-F431 HydrophobicContact CG-CZ 3.9Å; F361-F439 AromaticContact CD2-CD1 3.82Å; F361-F439 HydrophobicContact CD2-CD1 3.82Å; F361-F439 HydrophobicContact CD2-CE1 4.04Å; F361-F439 HydrophobicContact CD2-CG 4.07Å; F361-F439 HydrophobicContact CD2-CZ 4.47Å; F361-F439 HydrophobicContact CE2-CB 4.35Å; F361-F439 AromaticContact CE2-CD1 3.9Å; F361-F439 HydrophobicContact CE2-CD1 3.9Å; F361-F439 AromaticContact CE2-CD2 3.76Å; F361-F439 HydrophobicContact CE2-CD2 3.76Å; F361-F439 HydrophobicContact CE2-CE1 4.1Å; F361-F439 AromaticContact CE2-CE2 3.96Å; F361-F439 HydrophobicContact CE2-CE2 3.96Å; F361-F439 AromaticContact CE2-CG 3.71Å; F361-F439 HydrophobicContact CE2-CG 3.71Å; F361-F439 HydrophobicContact CE2-CZ 4.13Å; F361-F439 HydrophobicContact CZ-CD2 4.37Å; F361-F439 HydrophobicContact CZ-CG 4.42Å; F361-A453 HydrophobicContact CE1-CB 4.45Å; F361-A453 HydrophobicContact CZ-CB 3.85Å; F361-V456 HydrophobicContact CD1-CB 4.46Å; F361-V456 HydrophobicContact CD1-CG1 3.67Å; F361-V456 HydrophobicContact CE1-CB 3.83Å; F361-V456 HydrophobicContact CE1-CG1 3.5Å; F361-V456 VanDerWaalsContact CE1-CG1 3.5Å; F361-V457 HydrophobicContact CE1-CG2 3.96Å; F361-V457 HydrophobicContact CE2-CG2 4.13Å; F361-V457 HydrophobicContact CZ-CG2 3.43Å; F361-V457 VanDerWaalsContact CZ-CG2 3.43Å; F361-M460 HydrophobicContact CD1-CE 4.24Å
362	G	98.7	Very high	97.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-45.1	178.1	0	0	0	0	0	111.9	A358 F366 M384	A358-G362 PolarHBondContact O-N 3.4Å; G362-F366 VanDerWaalsContact O-CB 3.3Å; G362-F366 WeakPolarHBondContact O-CB 3.4Å; G362-F366 PolarHBondContact O-N 2.82Å; G362-M384 WeakPolarHBondContact O-CE 3.28Å
363	W	98.8	Very high	97.6	Very high	28 Å²	28	27.6 Å²	27.6	11%	0.106	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-51.3	172.3	163.3	70.8	0	0	0	111.9	A359 L360 F361 F366 D367 M460 Y463 L464 Q474 V478	A359-W363 WeakPolarHBondContact O-CB 3.37Å; A359-W363 PolarHBondContact O-N 3.45Å; L360-W363 PolarHBondContact O-N 3.29Å; F361-W363 VanDerWaalsContact C-N 3.32Å; F361-W363 PolarHBondContact O-N 2.85Å; W363-F366 PolarHBondContact O-N 2.97Å; W363-D367 VanDerWaalsContact O-CB 3.29Å; W363-D367 WeakPolarHBondContact O-CB 3.3Å; W363-D367 PolarHBondContact O-N 3.48Å; W363-M460 HydrophobicContact CE3-SD 4.2Å; W363-M460 HydrophobicContact CZ3-CG 3.82Å; W363-M460 HydrophobicContact CZ3-SD 3.93Å; W363-Y463 HydrophobicContact CH2-CE1 4.47Å; W363-L464 HydrophobicContact CH2-CD2 3.78Å; W363-L464 HydrophobicContact CZ3-CD2 4.29Å; W363-Q474 HydrophobicContact CD2-CG 4.38Å; W363-Q474 HydrophobicContact CE3-CG 3.91Å; W363-Q474 HydrophobicContact CH2-CG 3.94Å; W363-Q474 HydrophobicContact CZ2-CG 4.38Å; W363-Q474 VanDerWaalsContact CZ2-NE2 3.34Å; W363-Q474 HydrophobicContact CZ3-CG 3.67Å; W363-V478 HydrophobicContact CB-CG2 3.72Å; W363-V478 HydrophobicContact CD2-CG2 4.31Å; W363-V478 HydrophobicContact CG-CG2 3.78Å
364	W	98.8	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-51	-174.8	175.4	-105	0	0	0	112.8	F248 Y249 L360 F361 F366 D367 C368 E459 M460 Y463	F248-W364 HydrophobicContact CD2-CZ2 4.46Å; Y249-W364 AromaticContact CD2-CH2 3.42Å; Y249-W364 HydrophobicContact CD2-CH2 3.42Å; Y249-W364 VanDerWaalsContact CD2-CH2 3.42Å; Y249-W364 AromaticContact CD2-CZ2 3.73Å; Y249-W364 HydrophobicContact CD2-CZ2 3.73Å; Y249-W364 AromaticContact CE2-CH2 3.31Å; Y249-W364 HydrophobicContact CE2-CH2 3.31Å; Y249-W364 AromaticContact CE2-CZ2 3.8Å; Y249-W364 HydrophobicContact CE2-CZ2 3.8Å; Y249-W364 HydrophobicContact CE2-CZ3 4.12Å; L360-W364 VanDerWaalsContact O-CB 3.25Å; L360-W364 WeakPolarHBondContact O-CB 3.5Å; L360-W364 PolarHBondContact O-N 2.85Å; F361-W364 PolarHBondContact O-N 3.22Å; W364-F366 VanDerWaalsContact C-N 3.28Å; W364-F366 PolarHBondContact O-N 3.43Å; W364-D367 PolarHBondContact O-N 2.78Å; W364-C368 VanDerWaalsContact CZ2-SG 3.54Å; W364-C368 WeakPolarHBondContact O-CB 3.5Å; W364-C368 PolarHBondContact O-N 3.49Å; W364-C368 PolarHBondContact O-SG 3.38Å; W364-E459 HydrophobicContact CH2-CG 4.3Å; W364-E459 HydrophobicContact CZ2-CB 4.37Å; W364-E459 HydrophobicContact CZ2-CG 3.73Å; W364-M460 HydrophobicContact CB-CE 3.49Å; W364-M460 VanDerWaalsContact CB-CE 3.49Å; W364-M460 HydrophobicContact CB-CG 4.4Å; W364-M460 HydrophobicContact CB-SD 4.16Å; W364-M460 HydrophobicContact CD2-CB 4.11Å; W364-M460 HydrophobicContact CD2-CE 4.45Å; W364-M460 HydrophobicContact CD2-CG 4Å; W364-M460 HydrophobicContact CE3-CB 4.23Å; W364-M460 HydrophobicContact CE3-CG 3.81Å; W364-M460 HydrophobicContact CG-CB 4.45Å; W364-M460 HydrophobicContact CG-CE 3.77Å; W364-M460 HydrophobicContact CG-CG 4.28Å; W364-M460 HydrophobicContact CZ3-CG 4.39Å; W364-Y463 HydrophobicContact CH2-CD1 4.17Å; W364-Y463 HydrophobicContact CH2-CD2 4.18Å; W364-Y463 AromaticContact CH2-CG 3.73Å; W364-Y463 HydrophobicContact CH2-CG 3.73Å; W364-Y463 AromaticContact CZ3-CD1 3.53Å; W364-Y463 HydrophobicContact CZ3-CD1 3.53Å; W364-Y463 HydrophobicContact CZ3-CD2 4.27Å; W364-Y463 HydrophobicContact CZ3-CE1 4.12Å; W364-Y463 AromaticContact CZ3-CG 3.59Å; W364-Y463 HydrophobicContact CZ3-CG 3.59Å
365	M	98.6	Very high	96.6	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.034	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-40.5	-178.8	-66.3	-56.1	-68.6	0	0	110.6	I246 F361 W369 M384 L430 F431 C441 V456	I246-M365 HydrophobicContact CG2-CE 4.28Å; F361-M365 WeakPolarHBondContact O-CB 3.46Å; F361-M365 VanDerWaalsContact O-CG 3.23Å; F361-M365 WeakPolarHBondContact O-CG 3.16Å; F361-M365 PolarHBondContact O-N 3.12Å; M365-W369 VanDerWaalsContact O-CB 3.27Å; M365-W369 WeakPolarHBondContact O-CB 3.35Å; M365-W369 PolarHBondContact O-N 2.91Å; M365-M384 HydrophobicContact CB-CE 4.15Å; M365-L430 HydrophobicContact CB-CB 4.47Å; M365-L430 WeakPolarHBondContact CE-O 3.18Å; M365-F431 HydrophobicContact CB-CB 4.35Å; M365-F431 HydrophobicContact CG-CB 4.22Å; M365-F431 HydrophobicContact CG-CD2 4.43Å; M365-C441 HydrophobicContact CE-CB 4.21Å; M365-C441 HydrophobicContact SD-CB 4.32Å; M365-V456 HydrophobicContact SD-CG1 4.4Å
366	F	98.5	Very high	96	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.022	22%	0.219	C	C	.	.	H	α-helix	trans	-71.7	-41.6	177.2	-172	-107.2	0	0	0	113.1	G362 W363 W364 W369 K370 V379 M384 E401 F403 L430	G362-F366 VanDerWaalsContact O-CB 3.3Å; G362-F366 WeakPolarHBondContact O-CB 3.4Å; G362-F366 PolarHBondContact O-N 2.82Å; W363-F366 PolarHBondContact O-N 2.97Å; W364-F366 VanDerWaalsContact C-N 3.28Å; W364-F366 PolarHBondContact O-N 3.43Å; F366-W369 HydrophobicContact CD2-CE3 4.2Å; F366-W369 AromaticContact CE2-CE3 3.8Å; F366-W369 HydrophobicContact CE2-CE3 3.8Å; F366-W369 AromaticContact CE2-CZ3 3.9Å; F366-W369 HydrophobicContact CE2-CZ3 3.9Å; F366-W369 HydrophobicContact CZ-CE3 4.44Å; F366-W369 HydrophobicContact CZ-CZ3 4.33Å; F366-W369 PolarHBondContact O-N 2.98Å; F366-K370 HydrophobicContact CE1-CD 4.49Å; F366-K370 VanDerWaalsContact O-CB 3.31Å; F366-K370 WeakPolarHBondContact O-CB 2.96Å; F366-K370 PolarHBondContact O-N 3.2Å; F366-V379 HydrophobicContact CE2-CG2 3.88Å; F366-V379 HydrophobicContact CZ-CG2 3.93Å; F366-M384 HydrophobicContact CB-CE 3.83Å; F366-E401 HydrophobicContact CD1-CB 4.11Å; F366-E401 HydrophobicContact CD1-CG 3.93Å; F366-E401 HydrophobicContact CE1-CB 3.4Å; F366-E401 HydrophobicContact CE1-CG 3.55Å; F366-E401 VanDerWaalsContact CE1-OE2 3.27Å; F366-E401 WeakPolarHBondContact CE1-OE2 3.36Å; F366-E401 HydrophobicContact CZ-CB 3.66Å; F366-E401 HydrophobicContact CZ-CG 4.33Å; F366-F403 HydrophobicContact CD1-CE1 4.37Å; F366-F403 AromaticContact CD2-CD1 3.65Å; F366-F403 HydrophobicContact CD2-CD1 3.65Å; F366-F403 AromaticContact CD2-CE1 3.84Å; F366-F403 HydrophobicContact CD2-CE1 3.84Å; F366-F403 HydrophobicContact CD2-CG 4.49Å; F366-F403 HydrophobicContact CE1-CD1 4.5Å; F366-F403 HydrophobicContact CE2-CB 4.45Å; F366-F403 AromaticContact CE2-CD1 3.51Å; F366-F403 HydrophobicContact CE2-CD1 3.51Å; F366-F403 HydrophobicContact CE2-CE1 4.11Å; F366-F403 HydrophobicContact CE2-CG 4.32Å; F366-F403 HydrophobicContact CG-CD1 4.23Å; F366-F403 AromaticContact CG-CE1 3.99Å; F366-F403 HydrophobicContact CG-CE1 3.99Å; F366-F403 AromaticContact CZ-CD1 3.97Å; F366-F403 HydrophobicContact CZ-CD1 3.97Å; F366-F403 HydrophobicContact CZ-CE1 4.48Å; F366-L430 HydrophobicContact CD2-CD1 4.21Å
367	D	98.1	Very high	95.7	Very high	31 Å²	31	46.3 Å²	46.3	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-44.7	177.8	-172.1	71.5	0	0	0	111.5	W363 W364 K370 K371	W363-D367 VanDerWaalsContact O-CB 3.29Å; W363-D367 WeakPolarHBondContact O-CB 3.3Å; W363-D367 PolarHBondContact O-N 3.48Å; W364-D367 PolarHBondContact O-N 2.78Å; D367-K370 PolarHBondContact O-N 3.45Å; D367-K371 WeakPolarHBondContact O-CG 3.49Å; D367-K371 PolarHBondContact O-N 2.81Å; D367-K371 VanDerWaalsContact O-N 3.1Å; D367-K371 WeakPolarHBondContact OD2-CE 3.02Å; D367-K371 IonicContact OD2-NZ 3.83Å; D367-K371 PolarHBondContact OD2-NZ 2.82Å
368	C	97.9	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-44.3	175.8	-68	0	0	0	0	111.9	F248 W364 K370 K371 N372	F248-C368 HydrophobicContact CB-CB 4.42Å; F248-C368 HydrophobicContact CD1-CB 3.79Å; F248-C368 HydrophobicContact CD2-CB 3.53Å; F248-C368 VanDerWaalsContact CD2-SG 3.59Å; F248-C368 HydrophobicContact CE1-CB 3.82Å; F248-C368 HydrophobicContact CE2-CB 3.56Å; F248-C368 HydrophobicContact CG-CB 3.64Å; F248-C368 HydrophobicContact CZ-CB 3.71Å; W364-C368 VanDerWaalsContact CZ2-SG 3.54Å; W364-C368 WeakPolarHBondContact O-CB 3.5Å; W364-C368 PolarHBondContact O-N 3.49Å; W364-C368 PolarHBondContact O-SG 3.38Å; C368-K370 VanDerWaalsContact C-N 3.34Å; C368-K370 PolarHBondContact O-N 2.57Å; C368-K371 PolarHBondContact O-N 2.91Å; C368-N372 WeakPolarHBondContact O-CB 3.27Å; C368-N372 PolarHBondContact O-N 3.42Å; C368-N372 PolarHBondContact O-ND2 3.11Å
369	W	97.5	Very high	95.4	Very high	18 Å²	18	51.3 Å²	51.3	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-57.5	-48.3	173.3	176.6	89.8	0	0	0	110.9	M365 F366 K371 N372 K373 A377 V379 V382 E428 L430	M365-W369 VanDerWaalsContact O-CB 3.27Å; M365-W369 WeakPolarHBondContact O-CB 3.35Å; M365-W369 PolarHBondContact O-N 2.91Å; F366-W369 HydrophobicContact CD2-CE3 4.2Å; F366-W369 AromaticContact CE2-CE3 3.8Å; F366-W369 HydrophobicContact CE2-CE3 3.8Å; F366-W369 AromaticContact CE2-CZ3 3.9Å; F366-W369 HydrophobicContact CE2-CZ3 3.9Å; F366-W369 HydrophobicContact CZ-CE3 4.44Å; F366-W369 HydrophobicContact CZ-CZ3 4.33Å; F366-W369 PolarHBondContact O-N 2.98Å; W369-K371 VanDerWaalsContact C-N 3.25Å; W369-K371 PolarHBondContact O-N 3.42Å; W369-N372 CarbonylContact O-C 3.55Å; W369-N372 PolarHBondContact O-N 2.93Å; W369-N372 VanDerWaalsContact O-N 3.07Å; W369-K373 HydrophobicContact CD2-CB 4.22Å; W369-K373 HydrophobicContact CE3-CD 4.23Å; W369-K373 HydrophobicContact CH2-CD 3.62Å; W369-K373 HydrophobicContact CZ2-CB 4.15Å; W369-K373 HydrophobicContact CZ2-CD 4.07Å; W369-K373 HydrophobicContact CZ3-CD 3.72Å; W369-K373 WeakPolarHBondContact O-CA 3.42Å; W369-K373 VanDerWaalsContact O-CB 3.23Å; W369-K373 WeakPolarHBondContact O-CB 3.16Å; W369-K373 PolarHBondContact O-N 3.4Å; W369-A377 HydrophobicContact CZ2-CB 3.9Å; W369-V379 HydrophobicContact CH2-CB 4.08Å; W369-V379 HydrophobicContact CH2-CG2 4.42Å; W369-V379 HydrophobicContact CZ3-CB 4.31Å; W369-V379 HydrophobicContact CZ3-CG2 4.26Å; W369-V382 HydrophobicContact CD2-CG2 4.28Å; W369-V382 HydrophobicContact CH2-CG2 3.68Å; W369-V382 HydrophobicContact CZ2-CG2 3.28Å; W369-V382 HydrophobicContact CZ3-CG2 4.29Å; W369-E428 VanDerWaalsContact NE1-CD 3.29Å; W369-E428 PolarHBondContact NE1-OE1 3.02Å; W369-E428 VanDerWaalsContact NE1-OE1 3.16Å; W369-E428 PolarHBondContact NE1-OE2 2.92Å; W369-L430 HydrophobicContact CB-CD1 3.67Å; W369-L430 HydrophobicContact CB-CD2 4.21Å; W369-L430 HydrophobicContact CD2-CD1 4.19Å; W369-L430 HydrophobicContact CG-CD1 3.68Å; W369-L430 HydrophobicContact CG-CD2 3.98Å; W369-L430 HydrophobicContact CG-CG 4.49Å
370	K	96.6	Very high	95.3	Very high	76 Å²	76	57.6 Å²	57.6	33%	0.33	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-36.5	-178.5	-164.4	-174.4	-33.3	-169.1	0	112.9	F366 D367 C368 E401	F366-K370 HydrophobicContact CE1-CD 4.49Å; F366-K370 VanDerWaalsContact O-CB 3.31Å; F366-K370 WeakPolarHBondContact O-CB 2.96Å; F366-K370 PolarHBondContact O-N 3.2Å; D367-K370 PolarHBondContact O-N 3.45Å; C368-K370 VanDerWaalsContact C-N 3.34Å; C368-K370 PolarHBondContact O-N 2.57Å; K370-E401 IonicContact NZ-OE2 3.41Å; K370-E401 PolarHBondContact NZ-OE2 2.85Å
371	K	95.9	Very high	95.3	Very high	100 Å²	100	60.3 Å²	60.3	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-76.6	-30.5	177.5	-72.5	168.6	174.9	167.6	0	113.6	Y249 D367 C368 W369 Y463	Y249-K371 PolarHBondContact OH-NZ 2.94Å; D367-K371 WeakPolarHBondContact O-CG 3.49Å; D367-K371 PolarHBondContact O-N 2.81Å; D367-K371 VanDerWaalsContact O-N 3.1Å; D367-K371 WeakPolarHBondContact OD2-CE 3.02Å; D367-K371 IonicContact OD2-NZ 3.83Å; D367-K371 PolarHBondContact OD2-NZ 2.82Å; C368-K371 PolarHBondContact O-N 2.91Å; W369-K371 VanDerWaalsContact C-N 3.25Å; W369-K371 PolarHBondContact O-N 3.42Å; K371-Y463 PolarHBondContact NZ-OH 2.9Å
372	N	94	Very high	95.2	Very high	103 Å²	103	60.3 Å²	60.3	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-106.6	-4.6	-173.5	-68.3	-78.1	0	0	0	114	C368 W369	C368-N372 WeakPolarHBondContact O-CB 3.27Å; C368-N372 PolarHBondContact O-N 3.42Å; C368-N372 PolarHBondContact O-ND2 3.11Å; W369-N372 CarbonylContact O-C 3.55Å; W369-N372 PolarHBondContact O-N 2.93Å; W369-N372 VanDerWaalsContact O-N 3.07Å
373	K	91.1	Very high	95.2	Very high	91 Å²	91	61.4 Å²	61.4	40%	0.396	30%	0.295	S	S	.	.			trans	-62.1	147.2	-175.7	71.5	176.4	-166.1	147.7	0	111.7	W369 A377	W369-K373 HydrophobicContact CD2-CB 4.22Å; W369-K373 HydrophobicContact CE3-CD 4.23Å; W369-K373 HydrophobicContact CH2-CD 3.62Å; W369-K373 HydrophobicContact CZ2-CB 4.15Å; W369-K373 HydrophobicContact CZ2-CD 4.07Å; W369-K373 HydrophobicContact CZ3-CD 3.72Å; W369-K373 WeakPolarHBondContact O-CA 3.42Å; W369-K373 VanDerWaalsContact O-CB 3.23Å; W369-K373 WeakPolarHBondContact O-CB 3.16Å; W369-K373 PolarHBondContact O-N 3.4Å; K373-A377 HydrophobicContact CB-CB 3.78Å; K373-A377 HydrophobicContact CD-CB 4.18Å; K373-A377 HydrophobicContact CG-CB 4.28Å; K373-A377 PolarHBondContact NZ-O 2.8Å
374	S	88	Confident	95.2	Very high	77 Å²	77	60 Å²	60	54%	0.538	29%	0.29	S	S	.	.			trans	-66.9	159.6	171.7	78.2	0	0	0	0	111.2	N376 A377	S374-N376 PolarHBondContact O-N 2.83Å; S374-N376 VanDerWaalsContact O-N 3.11Å; S374-A377 VanDerWaalsContact O-CB 3.31Å; S374-A377 WeakPolarHBondContact O-CB 3.41Å; S374-A377 PolarHBondContact O-N 2.96Å; S374-A377 PolarHBondContact OG-N 2.79Å
375	R	85.4	Confident	95.2	Very high	255 Å²	255	60 Å²	60	96%	0.962	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.6	177.4	-70.6	-175.5	179.6	178	0.1	113.5
376	N	86.5	Confident	95.2	Very high	156 Å²	156	59.7 Å²	59.7	83%	0.834	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.3	-178.1	-62.9	-17.8	0	0	0	113.1	S374 D378	S374-N376 PolarHBondContact O-N 2.83Å; S374-N376 VanDerWaalsContact O-N 3.11Å; N376-D378 PolarHBondContact O-N 3.07Å
377	A	91.5	Very high	95.2	Very high	20 Å²	20	59.5 Å²	59.5	17%	0.165	29%	0.287	C	S	.	.			trans	-74.3	119.4	-179.2	0	0	0	0	0	111.2	W369 K373 S374	W369-A377 HydrophobicContact CZ2-CB 3.9Å; K373-A377 HydrophobicContact CB-CB 3.78Å; K373-A377 HydrophobicContact CD-CB 4.18Å; K373-A377 HydrophobicContact CG-CB 4.28Å; K373-A377 PolarHBondContact NZ-O 2.8Å; S374-A377 VanDerWaalsContact O-CB 3.31Å; S374-A377 WeakPolarHBondContact O-CB 3.41Å; S374-A377 PolarHBondContact O-N 2.96Å; S374-A377 PolarHBondContact OG-N 2.79Å
378	D	94.8	Very high	95	Very high	73 Å²	73	58.1 Å²	58.1	39%	0.39	28%	0.28	S	S	.	.			trans	-98.6	126.4	175.8	-171.5	-6.4	0	0	0	110.4	N376 K380 N381	N376-D378 PolarHBondContact O-N 3.07Å; D378-K380 PolarHBondContact O-N 3.02Å; D378-K380 PolarHBondContact OD1-N 3.25Å; D378-N381 PolarHBondContact O-N 3.26Å
379	V	97.1	Very high	94.9	Very high	34 Å²	34	58.5 Å²	58.5	21%	0.206	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-60.3	-25.4	177.2	69.4	0	0	0	0	112.1	F366 W369 N381 V382 F403	F366-V379 HydrophobicContact CE2-CG2 3.88Å; F366-V379 HydrophobicContact CZ-CG2 3.93Å; W369-V379 HydrophobicContact CH2-CB 4.08Å; W369-V379 HydrophobicContact CH2-CG2 4.42Å; W369-V379 HydrophobicContact CZ3-CB 4.31Å; W369-V379 HydrophobicContact CZ3-CG2 4.26Å; V379-N381 PolarHBondContact O-N 3.27Å; V379-V382 WeakPolarHBondContact O-CB 3.42Å; V379-V382 PolarHBondContact O-N 2.76Å; V379-F403 HydrophobicContact CG2-CB 3.83Å; V379-F403 WeakPolarHBondContact O-CA 3.47Å
380	K	96.8	Very high	94.9	Very high	133 Å²	133	57.8 Å²	57.8	58%	0.578	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69.2	-10.3	175.2	-62.3	178.5	179.8	177.2	0	114	D378 H404	D378-K380 PolarHBondContact O-N 3.02Å; D378-K380 PolarHBondContact OD1-N 3.25Å; K380-H404 PolarHBondContact O-CD2 3.39Å; K380-H404 PolarHBondContact O-NE2 2.92Å
381	N	97.3	Very high	95	Very high	59 Å²	59	54.3 Å²	54.3	32%	0.316	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-98.8	-0.4	172.2	-68.7	-44	0	0	0	112.7	D378 V379 Y383 K427 E428	D378-N381 PolarHBondContact O-N 3.26Å; V379-N381 PolarHBondContact O-N 3.27Å; N381-Y383 WeakPolarHBondContact O-CD2 2.99Å; N381-K427 PolarHBondContact OD1-NZ 2.77Å; N381-E428 PolarHBondContact O-N 3.41Å
382	V	98.4	Very high	95	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.5	-178.5	175.9	0	0	0	0	110.3	W369 V379 F403 H404 E428 L430	W369-V382 HydrophobicContact CD2-CG2 4.28Å; W369-V382 HydrophobicContact CH2-CG2 3.68Å; W369-V382 HydrophobicContact CZ2-CG2 3.28Å; W369-V382 HydrophobicContact CZ3-CG2 4.29Å; V379-V382 WeakPolarHBondContact O-CB 3.42Å; V379-V382 PolarHBondContact O-N 2.76Å; V382-F403 HydrophobicContact CB-CB 3.85Å; V382-F403 HydrophobicContact CG1-CB 3.88Å; V382-F403 HydrophobicContact CG1-CG 4.37Å; V382-F403 WeakPolarHBondContact O-CB 3.34Å; V382-H404 PolarHBondContact O-N 2.85Å; V382-E428 CarbonylContact C-O 3.51Å; V382-E428 WeakPolarHBondContact CA-O 3.23Å; V382-L430 HydrophobicContact CG1-CD1 3.4Å; V382-L430 HydrophobicContact CG1-CG 3.71Å
383	Y	98.8	Very high	95.2	Very high	23 Å²	23	45.7 Å²	45.7	9%	0.09	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144	-179.3	-72.5	-107	0	0	0	111.1	N381 H404 E406 L422 K427 E428 V429 L430	N381-Y383 WeakPolarHBondContact O-CD2 2.99Å; Y383-H404 CarbonylContact C-O 3.45Å; Y383-H404 VanDerWaalsContact CA-O 3.27Å; Y383-H404 WeakPolarHBondContact CA-O 3.03Å; Y383-H404 HydrophobicContact CD1-CB 3.43Å; Y383-H404 VanDerWaalsContact CD1-CB 3.43Å; Y383-H404 HydrophobicContact CD2-CB 4.2Å; Y383-H404 HydrophobicContact CE1-CB 3.34Å; Y383-H404 AromaticContact CE1-CG 3.81Å; Y383-H404 HydrophobicContact CE2-CB 4.1Å; Y383-H404 AromaticContact CE2-CD2 3.94Å; Y383-H404 HydrophobicContact CG-CB 3.88Å; Y383-H404 AromaticContact CZ-CD2 3.75Å; Y383-H404 AromaticContact CZ-CG 3.72Å; Y383-E406 HydrophobicContact CD1-CG 4.21Å; Y383-E406 HydrophobicContact CE1-CG 4.35Å; Y383-E406 WeakPolarHBondContact CE1-OE1 3.2Å; Y383-L422 HydrophobicContact CD1-CD1 3.92Å; Y383-L422 HydrophobicContact CD1-CD2 3.7Å; Y383-L422 HydrophobicContact CD1-CG 4.49Å; Y383-L422 HydrophobicContact CD2-CD2 4.3Å; Y383-L422 HydrophobicContact CE1-CD2 3.61Å; Y383-L422 HydrophobicContact CE2-CD2 4.26Å; Y383-L422 HydrophobicContact CG-CD1 4.06Å; Y383-L422 HydrophobicContact CG-CD2 4.06Å; Y383-K427 HydrophobicContact CD2-CB 3.76Å; Y383-K427 HydrophobicContact CD2-CG 4.18Å; Y383-K427 HydrophobicContact CE2-CB 3.73Å; Y383-K427 HydrophobicContact CE2-CD 3.79Å; Y383-K427 HydrophobicContact CE2-CG 3.62Å; Y383-E428 PolarHBondContact N-O 3.47Å; Y383-V429 WeakPolarHBondContact O-CA 3.49Å; Y383-L430 PolarHBondContact O-N 3.29Å
384	M	98.8	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.3	160	-62.5	-174	172.2	0	0	109.8	G362 M365 F366 L394 F403 H404 F405 E406 L430 F431	G362-M384 WeakPolarHBondContact O-CE 3.28Å; M365-M384 HydrophobicContact CB-CE 4.15Å; F366-M384 HydrophobicContact CB-CE 3.83Å; M384-L394 HydrophobicContact CB-CD1 4.09Å; M384-L394 HydrophobicContact SD-CD2 4.16Å; M384-F403 HydrophobicContact CB-CE2 3.95Å; M384-F403 HydrophobicContact CE-CZ 4.48Å; M384-F403 HydrophobicContact CG-CD2 4.28Å; M384-F403 HydrophobicContact CG-CE2 3.76Å; M384-F403 HydrophobicContact CG-CZ 4.34Å; M384-F403 HydrophobicContact SD-CE2 3.8Å; M384-F403 HydrophobicContact SD-CZ 3.77Å; M384-H404 PolarHBondContact N-O 2.75Å; M384-F405 WeakPolarHBondContact O-CA 3.49Å; M384-E406 PolarHBondContact O-N 3.44Å; M384-E406 VanDerWaalsContact O-N 3.13Å; M384-L430 HydrophobicContact CE-CB 3.85Å; M384-L430 HydrophobicContact CE-CD1 4.1Å; M384-L430 HydrophobicContact CG-CB 4.5Å; M384-F431 WeakPolarHBondContact CA-O 3.42Å; M384-F431 WeakPolarHBondContact CB-O 3.39Å; M384-F431 HydrophobicContact CE-CB 4.13Å; M384-F431 HydrophobicContact CG-CB 4.18Å; M384-F431 HydrophobicContact SD-CB 4.14Å; M384-F431 HydrophobicContact SD-CD1 4.5Å
385	L	98.7	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.5	-174.8	-63.5	84.5	0	0	0	111.1	E406 T408 R418 I419 L422 V429 F431 A432 F433	L385-E406 VanDerWaalsContact CA-O 3.31Å; L385-E406 WeakPolarHBondContact CA-O 3.22Å; L385-E406 HydrophobicContact CG-CB 4.44Å; L385-T408 HydrophobicContact CD2-CG2 4.13Å; L385-R418 HydrophobicContact CD2-CB 3.88Å; L385-R418 HydrophobicContact CD2-CG 3.64Å; L385-I419 HydrophobicContact CD1-CG1 4.16Å; L385-I419 HydrophobicContact CD2-CG1 4.26Å; L385-L422 HydrophobicContact CD1-CD1 3.95Å; L385-L422 HydrophobicContact CD2-CD1 4.21Å; L385-V429 HydrophobicContact CD1-CG1 3.63Å; L385-V429 HydrophobicContact CD1-CG2 4.11Å; L385-F431 PolarHBondContact N-O 3.01Å; L385-A432 HydrophobicContact CB-CB 3.91Å; L385-A432 WeakPolarHBondContact O-CA 3.27Å; L385-F433 PolarHBondContact O-N 2.77Å; L385-F433 VanDerWaalsContact O-N 3.16Å
386	A	98.4	Very high	96.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.3	167.2	0	0	0	0	0	110.5	F405 E406 E407 T408 F433	A386-F405 HydrophobicContact CB-CE2 3.69Å; A386-F405 HydrophobicContact CB-CZ 3.94Å; A386-E406 PolarHBondContact N-O 2.85Å; A386-E406 VanDerWaalsContact N-O 3.14Å; A386-E407 CarbonylContact O-C 3.52Å; A386-E407 VanDerWaalsContact O-CA 3.24Å; A386-E407 WeakPolarHBondContact O-CA 3.28Å; A386-T408 PolarHBondContact O-N 2.89Å; A386-F433 WeakPolarHBondContact CA-O 3.42Å; A386-F433 HydrophobicContact CB-CD1 3.68Å; A386-F433 HydrophobicContact CB-CE1 3.31Å; A386-F433 HydrophobicContact CB-CZ 4.02Å
387	T	97.1	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	156.9	170.1	85.5	0	0	0	0	111	V389 S390 T408 I415 F433 E434 E435	T387-V389 PolarHBondContact O-N 3.39Å; T387-V389 VanDerWaalsContact O-N 3.12Å; T387-V389 VanDerWaalsContact OG1-CG2 3.28Å; T387-V389 WeakPolarHBondContact OG1-CG2 3.43Å; T387-V389 PolarHBondContact OG1-N 3.39Å; T387-S390 WeakPolarHBondContact O-CB 3.48Å; T387-S390 PolarHBondContact O-N 3.12Å; T387-S390 PolarHBondContact OG1-N 3.28Å; T387-S390 PolarHBondContact OG1-OG 2.79Å; T387-T408 CarbonylContact C-O 3.31Å; T387-T408 WeakPolarHBondContact CA-O 3.48Å; T387-I415 HydrophobicContact CG2-CD1 3.94Å; T387-F433 PolarHBondContact N-O 2.87Å; T387-E434 HydrophobicContact CG2-CB 3.8Å; T387-E434 HydrophobicContact CG2-CG 3.62Å; T387-E435 PolarHBondContact OG1-OE2 3.02Å
388	T	95.3	Very high	97.6	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.7	176.1	34.8	0	0	0	0	114.7	K392 E407 T408 L546 M554	T388-K392 PolarHBondContact O-NZ 2.9Å; T388-E407 HydrophobicContact CG2-CB 3.95Å; T388-T408 WeakPolarHBondContact CG2-O 3.45Å; T388-T408 PolarHBondContact N-O 3.33Å; T388-T408 PolarHBondContact OG1-O 2.87Å; T388-T408 VanDerWaalsContact OG1-O 3.12Å; T388-L546 HydrophobicContact CG2-CD1 3.27Å; T388-M554 HydrophobicContact CG2-CE 4.44Å; T388-M554 WeakPolarHBondContact OG1-CE 3.45Å
389	V	95.1	Very high	97.8	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.048	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-1.7	177.3	-62.8	0	0	0	0	113.6	T387 P410 E435 M554 T566 Y579	T387-V389 PolarHBondContact O-N 3.39Å; T387-V389 VanDerWaalsContact O-N 3.12Å; T387-V389 VanDerWaalsContact OG1-CG2 3.28Å; T387-V389 WeakPolarHBondContact OG1-CG2 3.43Å; T387-V389 PolarHBondContact OG1-N 3.39Å; V389-P410 HydrophobicContact CG1-CG 4.08Å; V389-P410 HydrophobicContact CG2-CB 4.23Å; V389-P410 HydrophobicContact CG2-CG 3.96Å; V389-E435 VanDerWaalsContact CG2-OE1 3.3Å; V389-E435 WeakPolarHBondContact CG2-OE1 3.45Å; V389-E435 WeakPolarHBondContact CG2-OE2 3.25Å; V389-M554 HydrophobicContact CG1-CE 3.94Å; V389-T566 HydrophobicContact CG1-CG2 3.9Å; V389-Y579 HydrophobicContact CB-CD1 3.68Å; V389-Y579 HydrophobicContact CB-CD2 4Å; V389-Y579 HydrophobicContact CB-CE1 3.93Å; V389-Y579 HydrophobicContact CB-CE2 4.27Å; V389-Y579 HydrophobicContact CB-CG 3.73Å; V389-Y579 HydrophobicContact CG1-CD1 4.41Å; V389-Y579 HydrophobicContact CG1-CD2 3.81Å; V389-Y579 HydrophobicContact CG1-CE2 4.04Å; V389-Y579 HydrophobicContact CG1-CG 4.04Å; V389-Y579 HydrophobicContact CG2-CD1 4.19Å; V389-Y579 HydrophobicContact CG2-CE1 3.98Å
390	S	97.6	Very high	97.8	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	-89	160.9	174.9	-43.8	0	0	0	0	111.6	T387 K392 E435	T387-S390 WeakPolarHBondContact O-CB 3.48Å; T387-S390 PolarHBondContact O-N 3.12Å; T387-S390 PolarHBondContact OG1-N 3.28Å; T387-S390 PolarHBondContact OG1-OG 2.79Å; S390-K392 PolarHBondContact O-NZ 2.94Å; S390-K392 VanDerWaalsContact O-NZ 3.13Å; S390-E435 PolarHBondContact OG-N 3.1Å; S390-E435 VanDerWaalsContact OG-N 3.14Å; S390-E435 PolarHBondContact OG-OE2 2.88Å
391	S	97.8	Very high	97.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.138	C	C	.	.			trans	-55.3	142.8	-176.8	167.5	0	0	0	0	112.7	N355 I393 E581	N355-S391 WeakPolarHBondContact OD1-CB 3.41Å; N355-S391 PolarHBondContact OD1-N 2.9Å; S391-I393 PolarHBondContact O-N 3.06Å; S391-I393 WeakPolarHBondContact OG-CB 3.46Å; S391-I393 WeakPolarHBondContact OG-CG2 3.2Å; S391-I393 PolarHBondContact OG-N 3.39Å; S391-I393 VanDerWaalsContact OG-N 3.08Å; S391-E581 WeakPolarHBondContact CA-OE1 3.26Å; S391-E581 VanDerWaalsContact CA-OE2 3.3Å; S391-E581 WeakPolarHBondContact CA-OE2 3.44Å; S391-E581 WeakPolarHBondContact CB-OE1 3.37Å; S391-E581 PolarHBondContact OG-OE1 2.95Å
392	K	97.8	Very high	97.9	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.1	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	7.5	173.7	-51.5	-48.6	167.2	-147.7	0	113.6	T388 S390 L394 K395 A396 E407 H485 E581	T388-K392 PolarHBondContact O-NZ 2.9Å; S390-K392 PolarHBondContact O-NZ 2.94Å; S390-K392 VanDerWaalsContact O-NZ 3.13Å; K392-L394 VanDerWaalsContact C-N 3.3Å; K392-L394 PolarHBondContact O-N 2.63Å; K392-K395 HydrophobicContact CB-CB 4.45Å; K392-K395 WeakPolarHBondContact O-CA 3.4Å; K392-K395 WeakPolarHBondContact O-CB 3.44Å; K392-K395 PolarHBondContact O-N 3.1Å; K392-A396 PolarHBondContact O-N 2.86Å; K392-A396 VanDerWaalsContact O-N 3.15Å; K392-E407 WeakPolarHBondContact CE-OE1 3.45Å; K392-E407 IonicContact NZ-OE1 2.71Å; K392-E407 PolarHBondContact NZ-OE1 3.38Å; K392-H485 VanDerWaalsContact C-CE1 3.41Å; K392-E581 WeakPolarHBondContact CG-OE2 3.37Å; K392-E581 PolarHBondContact N-OE1 2.87Å; K392-E581 VanDerWaalsContact N-OE1 3.11Å; K392-E581 PolarHBondContact N-OE2 3.22Å
393	I	98.3	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.9	-41.9	-179.4	-175.6	60.9	0	0	0	112.8	A359 S391 K395 A396 I397 V478 Y479 H485	A359-I393 HydrophobicContact CB-CB 4.44Å; A359-I393 HydrophobicContact CB-CG1 3.69Å; A359-I393 HydrophobicContact CB-CG2 4.09Å; S391-I393 PolarHBondContact O-N 3.06Å; S391-I393 WeakPolarHBondContact OG-CB 3.46Å; S391-I393 WeakPolarHBondContact OG-CG2 3.2Å; S391-I393 PolarHBondContact OG-N 3.39Å; S391-I393 VanDerWaalsContact OG-N 3.08Å; I393-K395 PolarHBondContact O-N 3.18Å; I393-A396 WeakPolarHBondContact O-CB 3.46Å; I393-A396 PolarHBondContact O-N 3.46Å; I393-I397 HydrophobicContact CD1-CG1 4.43Å; I393-I397 HydrophobicContact CG1-CD1 4.17Å; I393-I397 HydrophobicContact CG1-CG1 4.41Å; I393-I397 WeakPolarHBondContact O-CG1 3.4Å; I393-I397 PolarHBondContact O-N 3.4Å; I393-V478 HydrophobicContact CD1-CG1 4.35Å; I393-Y479 HydrophobicContact CD1-CD1 4.16Å; I393-Y479 HydrophobicContact CD1-CE1 4.18Å; I393-H485 HydrophobicContact CB-CB 4.26Å; I393-H485 WeakPolarHBondContact CD1-CD2 3.22Å; I393-H485 PolarHBondContact N-CE1 3.45Å; I393-H485 PolarHBondContact N-ND1 3.34Å
394	L	98.5	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-31.9	177.9	-64.4	-169.3	0	0	0	112.3	M384 K392 I397 A398 F405 F431 F433	M384-L394 HydrophobicContact CB-CD1 4.09Å; M384-L394 HydrophobicContact SD-CD2 4.16Å; K392-L394 VanDerWaalsContact C-N 3.3Å; K392-L394 PolarHBondContact O-N 2.63Å; L394-I397 HydrophobicContact CD2-CD1 4.2Å; L394-A398 VanDerWaalsContact O-CB 3.22Å; L394-A398 WeakPolarHBondContact O-CB 3.3Å; L394-A398 PolarHBondContact O-N 3.36Å; L394-F405 HydrophobicContact CB-CD2 3.61Å; L394-F405 HydrophobicContact CB-CE2 3.69Å; L394-F405 HydrophobicContact CD1-CE2 4.49Å; L394-F431 HydrophobicContact CD1-CD1 3.74Å; L394-F431 HydrophobicContact CD1-CE1 3.95Å; L394-F431 HydrophobicContact CD2-CD1 4.25Å; L394-F431 HydrophobicContact CD2-CE1 4.37Å; L394-F433 HydrophobicContact CD1-CD1 3.51Å; L394-F433 HydrophobicContact CD1-CE1 3.44Å; L394-F433 VanDerWaalsContact CD1-CE1 3.44Å; L394-F433 HydrophobicContact CG-CD1 4.23Å; L394-F433 HydrophobicContact CG-CE1 3.7Å
395	K	98.3	Very high	97.9	Very high	125 Å²	125	32.1 Å²	32.1	54%	0.543	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-41.7	172.7	-170.7	-177.9	174.1	-177.9	0	111.2	K392 I393 A398 L399 F405	K392-K395 HydrophobicContact CB-CB 4.45Å; K392-K395 WeakPolarHBondContact O-CA 3.4Å; K392-K395 WeakPolarHBondContact O-CB 3.44Å; K392-K395 PolarHBondContact O-N 3.1Å; I393-K395 PolarHBondContact O-N 3.18Å; K395-A398 PolarHBondContact O-N 2.95Å; K395-L399 WeakPolarHBondContact O-CB 3.47Å; K395-L399 PolarHBondContact O-N 3.08Å; K395-F405 HydrophobicContact CB-CB 4.48Å; K395-F405 HydrophobicContact CB-CD1 3.46Å; K395-F405 VanDerWaalsContact CB-CD1 3.46Å; K395-F405 HydrophobicContact CB-CE1 3.73Å; K395-F405 HydrophobicContact CB-CG 3.93Å; K395-F405 HydrophobicContact CB-CZ 4.42Å; K395-F405 HydrophobicContact CD-CD1 4.27Å; K395-F405 HydrophobicContact CD-CE1 4.41Å; K395-F405 HydrophobicContact CG-CD1 3.73Å; K395-F405 HydrophobicContact CG-CE1 4.23Å; K395-F405 HydrophobicContact CG-CG 4.42Å
396	A	98.4	Very high	97.9	Very high	22 Å²	22	34.4 Å²	34.4	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-42.3	178.3	0	0	0	0	0	111.7	K392 I393 L399 K400	K392-A396 PolarHBondContact O-N 2.86Å; K392-A396 VanDerWaalsContact O-N 3.15Å; I393-A396 WeakPolarHBondContact O-CB 3.46Å; I393-A396 PolarHBondContact O-N 3.46Å; A396-L399 PolarHBondContact O-N 3.25Å; A396-K400 PolarHBondContact O-N 2.89Å
397	I	98.6	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-47.7	173	-57.9	172.6	0	0	0	109.9	I393 L394 L399 K400 E401 F403 Y482	I393-I397 HydrophobicContact CD1-CG1 4.43Å; I393-I397 HydrophobicContact CG1-CD1 4.17Å; I393-I397 HydrophobicContact CG1-CG1 4.41Å; I393-I397 WeakPolarHBondContact O-CG1 3.4Å; I393-I397 PolarHBondContact O-N 3.4Å; L394-I397 HydrophobicContact CD2-CD1 4.2Å; I397-L399 PolarHBondContact O-N 3.47Å; I397-K400 PolarHBondContact O-N 3.45Å; I397-E401 HydrophobicContact CG2-CG 4.02Å; I397-E401 WeakPolarHBondContact O-CB 3.24Å; I397-E401 WeakPolarHBondContact O-CG 3.38Å; I397-E401 PolarHBondContact O-N 3.27Å; I397-F403 HydrophobicContact CB-CE1 4.4Å; I397-F403 HydrophobicContact CB-CZ 4.07Å; I397-F403 HydrophobicContact CG2-CE1 3.66Å; I397-F403 HydrophobicContact CG2-CZ 3.74Å; I397-Y482 HydrophobicContact CB-CD1 4.29Å; I397-Y482 HydrophobicContact CB-CE1 4.41Å; I397-Y482 HydrophobicContact CB-CG 4.42Å; I397-Y482 HydrophobicContact CD1-CD2 4.42Å; I397-Y482 HydrophobicContact CG1-CD1 4.12Å; I397-Y482 HydrophobicContact CG1-CD2 3.72Å; I397-Y482 HydrophobicContact CG1-CE1 4.44Å; I397-Y482 HydrophobicContact CG1-CE2 4.03Å; I397-Y482 HydrophobicContact CG1-CG 3.75Å; I397-Y482 HydrophobicContact CG2-CD1 4.39Å; I397-Y482 HydrophobicContact CG2-CE1 4.01Å; I397-Y482 HydrophobicContact CG2-CE2 4.35Å
398	A	98.6	Very high	97.7	Very high	6 Å²	6	36.7 Å²	36.7	5%	0.05	19%	0.188	C	C	.	.	H	α-helix	trans	-57.2	-46.3	179	0	0	0	0	0	112.5	L394 K395 K400 E401 G402 F403 F405	L394-A398 VanDerWaalsContact O-CB 3.22Å; L394-A398 WeakPolarHBondContact O-CB 3.3Å; L394-A398 PolarHBondContact O-N 3.36Å; K395-A398 PolarHBondContact O-N 2.95Å; A398-K400 VanDerWaalsContact C-N 3.27Å; A398-K400 PolarHBondContact O-N 2.87Å; A398-E401 PolarHBondContact O-N 3.28Å; A398-G402 WeakPolarHBondContact O-CA 3.5Å; A398-G402 PolarHBondContact O-N 3.04Å; A398-F403 VanDerWaalsContact CA-CZ 3.47Å; A398-F403 HydrophobicContact CB-CD2 3.67Å; A398-F403 HydrophobicContact CB-CE1 4.39Å; A398-F403 HydrophobicContact CB-CE2 3.39Å; A398-F403 HydrophobicContact CB-CG 4.26Å; A398-F403 HydrophobicContact CB-CZ 3.79Å; A398-F403 WeakPolarHBondContact CB-O 3.48Å; A398-F405 HydrophobicContact CB-CB 3.67Å
399	L	98.1	Very high	97.6	Very high	155 Å²	155	37 Å²	37	81%	0.812	19%	0.189	S	C	*	.	H	α-helix	trans	-59.3	-39	178.9	-178.5	63.7	0	0	0	112.1	K395 A396 I397	K395-L399 WeakPolarHBondContact O-CB 3.47Å; K395-L399 PolarHBondContact O-N 3.08Å; A396-L399 PolarHBondContact O-N 3.25Å; I397-L399 PolarHBondContact O-N 3.47Å
400	K	98	Very high	97.5	Very high	121 Å²	121	37.2 Å²	37.2	53%	0.526	19%	0.191	S	C	.	.	H	α-helix	trans	-81.2	-36.3	-178.8	-170.3	159.1	-172.7	163.8	0	113.1	A396 I397 A398 K481 Y482	A396-K400 PolarHBondContact O-N 2.89Å; I397-K400 PolarHBondContact O-N 3.45Å; A398-K400 VanDerWaalsContact C-N 3.27Å; A398-K400 PolarHBondContact O-N 2.87Å; K400-K481 HydrophobicContact CD-CG 4.38Å; K400-K481 WeakPolarHBondContact CD-O 3.23Å; K400-K481 PolarHBondContact NZ-O 3.14Å; K400-Y482 HydrophobicContact CB-CD1 3.84Å; K400-Y482 HydrophobicContact CB-CE1 4.04Å; K400-Y482 HydrophobicContact CD-CD1 3.71Å; K400-Y482 HydrophobicContact CD-CE1 3.98Å; K400-Y482 HydrophobicContact CG-CD1 4.16Å; K400-Y482 HydrophobicContact CG-CE1 4.16Å
401	E	97.9	Very high	97.1	Very high	40 Å²	40	37.2 Å²	37.2	19%	0.187	19%	0.191	C	C	.	.	H	α-helix	trans	-97.1	-12.1	-173.4	-61.8	-66.1	153.8	0	0	114	F366 K370 I397 A398 F403 K481 Y482	F366-E401 HydrophobicContact CD1-CB 4.11Å; F366-E401 HydrophobicContact CD1-CG 3.93Å; F366-E401 HydrophobicContact CE1-CB 3.4Å; F366-E401 HydrophobicContact CE1-CG 3.55Å; F366-E401 VanDerWaalsContact CE1-OE2 3.27Å; F366-E401 WeakPolarHBondContact CE1-OE2 3.36Å; F366-E401 HydrophobicContact CZ-CB 3.66Å; F366-E401 HydrophobicContact CZ-CG 4.33Å; K370-E401 IonicContact NZ-OE2 3.41Å; K370-E401 PolarHBondContact NZ-OE2 2.85Å; I397-E401 HydrophobicContact CG2-CG 4.02Å; I397-E401 WeakPolarHBondContact O-CB 3.24Å; I397-E401 WeakPolarHBondContact O-CG 3.38Å; I397-E401 PolarHBondContact O-N 3.27Å; A398-E401 PolarHBondContact O-N 3.28Å; E401-F403 HydrophobicContact CB-CD1 3.88Å; E401-F403 HydrophobicContact CB-CE1 3.94Å; E401-K481 WeakPolarHBondContact OE1-CE 3.45Å; E401-K481 IonicContact OE1-NZ 3.82Å; E401-K481 PolarHBondContact OE1-NZ 3.04Å; E401-Y482 HydrophobicContact CG-CE1 3.85Å; E401-Y482 WeakPolarHBondContact OE1-CE1 3.05Å; E401-Y482 PolarHBondContact OE1-OH 2.93Å
402	G	98.1	Very high	96.9	Very high	40 Å²	40	37.2 Å²	37.2	41%	0.412	19%	0.191	S	C	.	.			trans	88.7	8.7	170.7	0	0	0	0	0	116.3	A398	A398-G402 WeakPolarHBondContact O-CA 3.5Å; A398-G402 PolarHBondContact O-N 3.04Å
403	F	98.4	Very high	96.6	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.044	19%	0.192	C	C	.	.			trans	-87.6	173	171.4	66.3	-97.7	0	0	0	111.5	F366 V379 V382 M384 I397 A398 E401	F366-F403 HydrophobicContact CD1-CE1 4.37Å; F366-F403 AromaticContact CD2-CD1 3.65Å; F366-F403 HydrophobicContact CD2-CD1 3.65Å; F366-F403 AromaticContact CD2-CE1 3.84Å; F366-F403 HydrophobicContact CD2-CE1 3.84Å; F366-F403 HydrophobicContact CD2-CG 4.49Å; F366-F403 HydrophobicContact CE1-CD1 4.5Å; F366-F403 HydrophobicContact CE2-CB 4.45Å; F366-F403 AromaticContact CE2-CD1 3.51Å; F366-F403 HydrophobicContact CE2-CD1 3.51Å; F366-F403 HydrophobicContact CE2-CE1 4.11Å; F366-F403 HydrophobicContact CE2-CG 4.32Å; F366-F403 HydrophobicContact CG-CD1 4.23Å; F366-F403 AromaticContact CG-CE1 3.99Å; F366-F403 HydrophobicContact CG-CE1 3.99Å; F366-F403 AromaticContact CZ-CD1 3.97Å; F366-F403 HydrophobicContact CZ-CD1 3.97Å; F366-F403 HydrophobicContact CZ-CE1 4.48Å; V379-F403 HydrophobicContact CG2-CB 3.83Å; V379-F403 WeakPolarHBondContact O-CA 3.47Å; V382-F403 HydrophobicContact CB-CB 3.85Å; V382-F403 HydrophobicContact CG1-CB 3.88Å; V382-F403 HydrophobicContact CG1-CG 4.37Å; V382-F403 WeakPolarHBondContact O-CB 3.34Å; M384-F403 HydrophobicContact CB-CE2 3.95Å; M384-F403 HydrophobicContact CE-CZ 4.48Å; M384-F403 HydrophobicContact CG-CD2 4.28Å; M384-F403 HydrophobicContact CG-CE2 3.76Å; M384-F403 HydrophobicContact CG-CZ 4.34Å; M384-F403 HydrophobicContact SD-CE2 3.8Å; M384-F403 HydrophobicContact SD-CZ 3.77Å; I397-F403 HydrophobicContact CB-CE1 4.4Å; I397-F403 HydrophobicContact CB-CZ 4.07Å; I397-F403 HydrophobicContact CG2-CE1 3.66Å; I397-F403 HydrophobicContact CG2-CZ 3.74Å; A398-F403 VanDerWaalsContact CA-CZ 3.47Å; A398-F403 HydrophobicContact CB-CD2 3.67Å; A398-F403 HydrophobicContact CB-CE1 4.39Å; A398-F403 HydrophobicContact CB-CE2 3.39Å; A398-F403 HydrophobicContact CB-CG 4.26Å; A398-F403 HydrophobicContact CB-CZ 3.79Å; A398-F403 WeakPolarHBondContact CB-O 3.48Å; E401-F403 HydrophobicContact CB-CD1 3.88Å; E401-F403 HydrophobicContact CB-CE1 3.94Å
404	H	98.6	Very high	96.4	Very high	80 Å²	80	40.6 Å²	40.6	37%	0.37	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.2	179.4	-71.2	-79.1	0	0	0	112.7	K380 V382 Y383 M384	K380-H404 PolarHBondContact O-CD2 3.39Å; K380-H404 PolarHBondContact O-NE2 2.92Å; V382-H404 PolarHBondContact O-N 2.85Å; Y383-H404 CarbonylContact C-O 3.45Å; Y383-H404 VanDerWaalsContact CA-O 3.27Å; Y383-H404 WeakPolarHBondContact CA-O 3.03Å; Y383-H404 HydrophobicContact CD1-CB 3.43Å; Y383-H404 VanDerWaalsContact CD1-CB 3.43Å; Y383-H404 HydrophobicContact CD2-CB 4.2Å; Y383-H404 HydrophobicContact CE1-CB 3.34Å; Y383-H404 AromaticContact CE1-CG 3.81Å; Y383-H404 HydrophobicContact CE2-CB 4.1Å; Y383-H404 AromaticContact CE2-CD2 3.94Å; Y383-H404 HydrophobicContact CG-CB 3.88Å; Y383-H404 AromaticContact CZ-CD2 3.75Å; Y383-H404 AromaticContact CZ-CG 3.72Å; M384-H404 PolarHBondContact N-O 2.75Å
405	F	98.5	Very high	96.4	Very high	36 Å²	36	40.6 Å²	40.6	16%	0.158	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.9	169.3	170.6	-99.9	0	0	0	109.9	M384 A386 L394 K395 A398 E407	M384-F405 WeakPolarHBondContact O-CA 3.49Å; A386-F405 HydrophobicContact CB-CE2 3.69Å; A386-F405 HydrophobicContact CB-CZ 3.94Å; L394-F405 HydrophobicContact CB-CD2 3.61Å; L394-F405 HydrophobicContact CB-CE2 3.69Å; L394-F405 HydrophobicContact CD1-CE2 4.49Å; K395-F405 HydrophobicContact CB-CB 4.48Å; K395-F405 HydrophobicContact CB-CD1 3.46Å; K395-F405 VanDerWaalsContact CB-CD1 3.46Å; K395-F405 HydrophobicContact CB-CE1 3.73Å; K395-F405 HydrophobicContact CB-CG 3.93Å; K395-F405 HydrophobicContact CB-CZ 4.42Å; K395-F405 HydrophobicContact CD-CD1 4.27Å; K395-F405 HydrophobicContact CD-CE1 4.41Å; K395-F405 HydrophobicContact CG-CD1 3.73Å; K395-F405 HydrophobicContact CG-CE1 4.23Å; K395-F405 HydrophobicContact CG-CG 4.42Å; A398-F405 HydrophobicContact CB-CB 3.67Å; F405-E407 HydrophobicContact CE1-CG 3.52Å; F405-E407 HydrophobicContact CZ-CG 3.83Å
406	E	97.8	Very high	96.3	Very high	48 Å²	48	34.7 Å²	34.7	22%	0.224	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.7	174.3	-66.5	-171.2	176.9	0	0	112	Y383 M384 L385 A386 R418	Y383-E406 HydrophobicContact CD1-CG 4.21Å; Y383-E406 HydrophobicContact CE1-CG 4.35Å; Y383-E406 WeakPolarHBondContact CE1-OE1 3.2Å; M384-E406 PolarHBondContact O-N 3.44Å; M384-E406 VanDerWaalsContact O-N 3.13Å; L385-E406 VanDerWaalsContact CA-O 3.31Å; L385-E406 WeakPolarHBondContact CA-O 3.22Å; L385-E406 HydrophobicContact CG-CB 4.44Å; A386-E406 PolarHBondContact N-O 2.85Å; A386-E406 VanDerWaalsContact N-O 3.14Å; E406-R418 IonicContact OE1-CZ 2.72Å; E406-R418 IonicContact OE1-NE 2.84Å; E406-R418 IonicContact OE1-NH2 3.59Å; E406-R418 PolarHBondContact OE1-NH2 3.49Å; E406-R418 IonicContact OE2-CZ 3.44Å; E406-R418 VanDerWaalsContact OE2-CZ 3.28Å; E406-R418 IonicContact OE2-NE 3.18Å; E406-R418 PolarHBondContact OE2-NE 2.83Å; E406-R418 IonicContact OE2-NH2 2.59Å; E406-R418 PolarHBondContact OE2-NH2 2.94Å
407	E	96.7	Very high	96.1	Very high	41 Å²	41	35 Å²	35	19%	0.192	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	146.2	172.9	-60.4	-174.9	103.7	0	0	110.6	A386 T388 K392 F405 R529 L546	A386-E407 CarbonylContact O-C 3.52Å; A386-E407 VanDerWaalsContact O-CA 3.24Å; A386-E407 WeakPolarHBondContact O-CA 3.28Å; T388-E407 HydrophobicContact CG2-CB 3.95Å; K392-E407 WeakPolarHBondContact CE-OE1 3.45Å; K392-E407 IonicContact NZ-OE1 2.71Å; K392-E407 PolarHBondContact NZ-OE1 3.38Å; F405-E407 HydrophobicContact CE1-CG 3.52Å; F405-E407 HydrophobicContact CZ-CG 3.83Å; E407-R529 IonicContact OE2-CZ 3.39Å; E407-R529 IonicContact OE2-NH1 3.17Å; E407-R529 PolarHBondContact OE2-NH1 3.09Å; E407-R529 IonicContact OE2-NH2 2.63Å; E407-L546 WeakPolarHBondContact O-CD2 3.45Å
408	T	96.1	Very high	96.1	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	167.9	167.4	70.1	0	0	0	0	111.6	L385 A386 T387 T388 I415 R418	L385-T408 HydrophobicContact CD2-CG2 4.13Å; A386-T408 PolarHBondContact O-N 2.89Å; T387-T408 CarbonylContact C-O 3.31Å; T387-T408 WeakPolarHBondContact CA-O 3.48Å; T388-T408 WeakPolarHBondContact CG2-O 3.45Å; T388-T408 PolarHBondContact N-O 3.33Å; T388-T408 PolarHBondContact OG1-O 2.87Å; T388-T408 VanDerWaalsContact OG1-O 3.12Å; T408-I415 HydrophobicContact CG2-CG1 4.33Å; T408-I415 VanDerWaalsContact OG1-CG1 3.26Å; T408-I415 WeakPolarHBondContact OG1-CG1 3.32Å; T408-R418 HydrophobicContact CG2-CB 4.1Å; T408-R418 HydrophobicContact CG2-CG 4.45Å
409	L	93.4	Very high	96	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.042	19%	0.191	C	C	.	.			trans	-63.1	156.7	167.3	-63.9	-177.4	0	0	0	110.5	W414 I531 L546 P547	L409-W414 HydrophobicContact CB-CB 4.46Å; L409-W414 HydrophobicContact CB-CD2 4Å; L409-W414 HydrophobicContact CB-CG 3.77Å; L409-W414 HydrophobicContact CD1-CD2 4.23Å; L409-W414 HydrophobicContact CD1-CH2 4.16Å; L409-W414 HydrophobicContact CD1-CZ2 3.72Å; L409-W414 HydrophobicContact CG-CD2 4.49Å; L409-I531 HydrophobicContact CD1-CG2 4.48Å; L409-I531 HydrophobicContact CD2-CB 4.5Å; L409-I531 HydrophobicContact CD2-CD1 4.11Å; L409-I531 HydrophobicContact CD2-CG1 4.05Å; L409-I531 HydrophobicContact CD2-CG2 3.67Å; L409-L546 HydrophobicContact CD2-CB 4.28Å; L409-L546 HydrophobicContact CD2-CD1 4.42Å; L409-P547 HydrophobicContact CD1-CB 4.11Å; L409-P547 HydrophobicContact CD1-CG 4.48Å
410	P	91.1	Very high	96	Very high	14 Å²	14	32.1 Å²	32.1	9%	0.091	16%	0.158	C	C	.	.	S	Bend	trans	-60.7	138.6	179.1	-23	35.2	0	0	0	112.6	V389 M554 R568	V389-P410 HydrophobicContact CG1-CG 4.08Å; V389-P410 HydrophobicContact CG2-CB 4.23Å; V389-P410 HydrophobicContact CG2-CG 3.96Å; P410-M554 HydrophobicContact CG-CE 4.26Å; P410-M554 HydrophobicContact CG-SD 4.22Å; P410-R568 VanDerWaalsContact CG-NH1 3.33Å
411	G	90.3	Very high	95.9	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	103.7	132.7	-173.6	0	0	0	0	0	114.9	K413 W414 E434	G411-K413 PolarHBondContact O-N 2.9Å; G411-W414 PolarHBondContact O-N 3.11Å; G411-E434 PolarHBondContact N-OE1 2.92Å
412	F	92.7	Very high	95.9	Very high	3 Å²	3	28 Å²	28	1%	0.013	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-15.8	-179.6	-96.6	-102.7	0	0	0	115.8	W414 I415 G416 E434 L440 D447 K448	F412-W414 PolarHBondContact O-N 2.99Å; F412-I415 HydrophobicContact CD1-CB 4.23Å; F412-I415 HydrophobicContact CD1-CD1 4.32Å; F412-I415 HydrophobicContact CD1-CG2 4.21Å; F412-I415 HydrophobicContact CD2-CD1 4Å; F412-I415 HydrophobicContact CE1-CD1 4.12Å; F412-I415 HydrophobicContact CE1-CG2 4.14Å; F412-I415 HydrophobicContact CE2-CD1 3.8Å; F412-I415 HydrophobicContact CG-CD1 4.28Å; F412-I415 HydrophobicContact CZ-CD1 3.88Å; F412-I415 PolarHBondContact O-N 3.41Å; F412-G416 PolarHBondContact O-N 3.4Å; F412-E434 HydrophobicContact CD2-CB 4.15Å; F412-E434 HydrophobicContact CE2-CB 3.64Å; F412-L440 HydrophobicContact CD1-CD1 4.3Å; F412-L440 HydrophobicContact CE1-CB 3.73Å; F412-L440 HydrophobicContact CE1-CD1 3.88Å; F412-L440 HydrophobicContact CE1-CG 4.43Å; F412-L440 HydrophobicContact CZ-CB 4.31Å; F412-D447 WeakPolarHBondContact CB-OD1 3.45Å; F412-K448 HydrophobicContact CB-CG 4.46Å; F412-K448 HydrophobicContact CD1-CG 3.82Å; F412-K448 HydrophobicContact CD2-CD 3.6Å; F412-K448 HydrophobicContact CD2-CG 3.22Å; F412-K448 HydrophobicContact CE1-CB 4.48Å; F412-K448 HydrophobicContact CE1-CG 3.77Å; F412-K448 HydrophobicContact CE2-CB 4.45Å; F412-K448 HydrophobicContact CE2-CD 3.72Å; F412-K448 HydrophobicContact CE2-CG 3.16Å; F412-K448 HydrophobicContact CG-CD 4.24Å; F412-K448 HydrophobicContact CG-CG 3.54Å; F412-K448 HydrophobicContact CZ-CB 4.37Å; F412-K448 HydrophobicContact CZ-CD 4.45Å; F412-K448 HydrophobicContact CZ-CG 3.44Å; F412-K448 VanDerWaalsContact CZ-CG 3.44Å
413	K	92.4	Very high	95.9	Very high	26 Å²	26	29.4 Å²	29.4	11%	0.113	14%	0.141	C	C	.	.	H	α-helix	trans	-56.2	-39.2	168.5	71.5	-177.4	-176.6	179.6	0	112.4	Q193 T195 G411 S417	Q193-K413 HydrophobicContact CB-CB 3.68Å; T195-K413 HydrophobicContact CG2-CB 3.9Å; T195-K413 HydrophobicContact CG2-CD 4.05Å; T195-K413 HydrophobicContact CG2-CG 3.94Å; G411-K413 PolarHBondContact O-N 2.9Å; K413-S417 WeakPolarHBondContact O-CB 3.07Å; K413-S417 PolarHBondContact O-N 3.45Å; K413-S417 VanDerWaalsContact O-N 3.11Å; K413-S417 PolarHBondContact O-OG 3.46Å; K413-S417 VanDerWaalsContact O-OG 3.04Å
414	W	94.9	Very high	95.8	Very high	68 Å²	68	36.1 Å²	36.1	26%	0.258	17%	0.172	S	C	.	.	H	α-helix	trans	-77.3	-38.2	179.4	-57.9	106.6	0	0	0	112.4	L409 G411 F412 R418 P547	L409-W414 HydrophobicContact CB-CB 4.46Å; L409-W414 HydrophobicContact CB-CD2 4Å; L409-W414 HydrophobicContact CB-CG 3.77Å; L409-W414 HydrophobicContact CD1-CD2 4.23Å; L409-W414 HydrophobicContact CD1-CH2 4.16Å; L409-W414 HydrophobicContact CD1-CZ2 3.72Å; L409-W414 HydrophobicContact CG-CD2 4.49Å; G411-W414 PolarHBondContact O-N 3.11Å; F412-W414 PolarHBondContact O-N 2.99Å; W414-R418 WeakPolarHBondContact O-CB 3.18Å; W414-R418 PolarHBondContact O-N 3.24Å; W414-P547 HydrophobicContact CE3-CG 4.21Å; W414-P547 HydrophobicContact CH2-CB 4.14Å; W414-P547 HydrophobicContact CH2-CG 4.37Å; W414-P547 HydrophobicContact CZ3-CB 4.02Å; W414-P547 HydrophobicContact CZ3-CG 3.76Å
415	I	96.8	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-53.2	173.6	-66.1	179	0	0	0	109.7	T387 T408 F412 S417 R418 I419 A432	T387-I415 HydrophobicContact CG2-CD1 3.94Å; T408-I415 HydrophobicContact CG2-CG1 4.33Å; T408-I415 VanDerWaalsContact OG1-CG1 3.26Å; T408-I415 WeakPolarHBondContact OG1-CG1 3.32Å; F412-I415 HydrophobicContact CD1-CB 4.23Å; F412-I415 HydrophobicContact CD1-CD1 4.32Å; F412-I415 HydrophobicContact CD1-CG2 4.21Å; F412-I415 HydrophobicContact CD2-CD1 4Å; F412-I415 HydrophobicContact CE1-CD1 4.12Å; F412-I415 HydrophobicContact CE1-CG2 4.14Å; F412-I415 HydrophobicContact CE2-CD1 3.8Å; F412-I415 HydrophobicContact CG-CD1 4.28Å; F412-I415 HydrophobicContact CZ-CD1 3.88Å; F412-I415 PolarHBondContact O-N 3.41Å; I415-S417 PolarHBondContact O-N 2.95Å; I415-R418 PolarHBondContact O-N 3.19Å; I415-R418 VanDerWaalsContact O-N 3.15Å; I415-I419 HydrophobicContact CG2-CD1 3.66Å; I415-I419 HydrophobicContact CG2-CG1 4.28Å; I415-I419 VanDerWaalsContact O-CG1 3.29Å; I415-I419 WeakPolarHBondContact O-CG1 3.5Å; I415-I419 PolarHBondContact O-N 3.48Å; I415-A432 HydrophobicContact CG2-CB 3.49Å; I415-A432 VanDerWaalsContact CG2-CB 3.49Å
416	G	96.6	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-48.2	-179.1	0	0	0	0	0	112.5	F412 R418 I419 I420	F412-G416 PolarHBondContact O-N 3.4Å; G416-R418 VanDerWaalsContact C-N 3.33Å; G416-R418 PolarHBondContact O-N 3.24Å; G416-I419 PolarHBondContact O-N 3.37Å; G416-I420 WeakPolarHBondContact O-CD1 3.36Å; G416-I420 WeakPolarHBondContact O-CG1 3.45Å; G416-I420 PolarHBondContact O-N 3.24Å; G416-I420 VanDerWaalsContact O-N 3.09Å
417	S	95.2	Very high	95.6	Very high	30 Å²	30	39.6 Å²	39.6	21%	0.21	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-44.5	174.3	-66.2	0	0	0	0	112.1	K413 I415 I419 I420 D421	K413-S417 WeakPolarHBondContact O-CB 3.07Å; K413-S417 PolarHBondContact O-N 3.45Å; K413-S417 VanDerWaalsContact O-N 3.11Å; K413-S417 PolarHBondContact O-OG 3.46Å; K413-S417 VanDerWaalsContact O-OG 3.04Å; I415-S417 PolarHBondContact O-N 2.95Å; S417-I419 PolarHBondContact O-N 3.49Å; S417-I420 WeakPolarHBondContact O-CB 3.48Å; S417-I420 PolarHBondContact O-N 3.11Å; S417-D421 PolarHBondContact O-N 3.06Å
418	R	97.1	Very high	95.6	Very high	76 Å²	76	41.4 Å²	41.4	29%	0.287	22%	0.216	S	C	.	.	H	α-helix	trans	-69.7	-35.1	-178.6	-173.7	56.2	-177.1	145.8	7.1	112.8	L385 E406 T408 W414 I415 G416 I420 D421 L422	L385-R418 HydrophobicContact CD2-CB 3.88Å; L385-R418 HydrophobicContact CD2-CG 3.64Å; E406-R418 IonicContact OE1-CZ 2.72Å; E406-R418 IonicContact OE1-NE 2.84Å; E406-R418 IonicContact OE1-NH2 3.59Å; E406-R418 PolarHBondContact OE1-NH2 3.49Å; E406-R418 IonicContact OE2-CZ 3.44Å; E406-R418 VanDerWaalsContact OE2-CZ 3.28Å; E406-R418 IonicContact OE2-NE 3.18Å; E406-R418 PolarHBondContact OE2-NE 2.83Å; E406-R418 IonicContact OE2-NH2 2.59Å; E406-R418 PolarHBondContact OE2-NH2 2.94Å; T408-R418 HydrophobicContact CG2-CB 4.1Å; T408-R418 HydrophobicContact CG2-CG 4.45Å; W414-R418 WeakPolarHBondContact O-CB 3.18Å; W414-R418 PolarHBondContact O-N 3.24Å; I415-R418 PolarHBondContact O-N 3.19Å; I415-R418 VanDerWaalsContact O-N 3.15Å; G416-R418 VanDerWaalsContact C-N 3.33Å; G416-R418 PolarHBondContact O-N 3.24Å; R418-I420 VanDerWaalsContact C-N 3.31Å; R418-D421 IonicContact NH1-OD2 3.66Å; R418-D421 PolarHBondContact O-N 2.79Å; R418-L422 HydrophobicContact CG-CD1 4.25Å; R418-L422 VanDerWaalsContact O-CG 3.32Å; R418-L422 WeakPolarHBondContact O-CG 3.36Å; R418-L422 PolarHBondContact O-N 3.04Å
419	I	97.9	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-41.7	173.9	-69.4	174.8	0	0	0	110.3	L385 I415 G416 S417 D421 L422 L423 V429 A432 L440 T443 L446	L385-I419 HydrophobicContact CD1-CG1 4.16Å; L385-I419 HydrophobicContact CD2-CG1 4.26Å; I415-I419 HydrophobicContact CG2-CD1 3.66Å; I415-I419 HydrophobicContact CG2-CG1 4.28Å; I415-I419 VanDerWaalsContact O-CG1 3.29Å; I415-I419 WeakPolarHBondContact O-CG1 3.5Å; I415-I419 PolarHBondContact O-N 3.48Å; G416-I419 PolarHBondContact O-N 3.37Å; S417-I419 PolarHBondContact O-N 3.49Å; I419-D421 PolarHBondContact O-N 3.16Å; I419-L422 PolarHBondContact O-N 2.9Å; I419-L423 HydrophobicContact CG2-CD1 3.74Å; I419-L423 HydrophobicContact CG2-CG 4.03Å; I419-L423 WeakPolarHBondContact O-CB 3.32Å; I419-L423 VanDerWaalsContact O-CG 3.25Å; I419-L423 WeakPolarHBondContact O-CG 3.3Å; I419-L423 PolarHBondContact O-N 3.18Å; I419-V429 HydrophobicContact CD1-CG1 4.1Å; I419-V429 HydrophobicContact CG1-CG1 4.08Å; I419-V429 HydrophobicContact CG1-CG2 4.28Å; I419-V429 HydrophobicContact CG2-CB 4.47Å; I419-V429 HydrophobicContact CG2-CG2 4.25Å; I419-A432 HydrophobicContact CD1-CB 4.19Å; I419-L440 HydrophobicContact CD1-CD1 3.87Å; I419-L440 HydrophobicContact CD1-CD2 4.41Å; I419-T443 HydrophobicContact CG2-CG2 3.88Å; I419-L446 HydrophobicContact CB-CD2 4.24Å; I419-L446 HydrophobicContact CG2-CD2 3.58Å
420	I	97	Very high	96	Very high	24 Å²	24	41.6 Å²	41.6	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-52.2	175.9	-67.5	157.3	0	0	0	110.2	T190 A192 G416 S417 R418 L422 L423 E424 L446	T190-I420 VanDerWaalsContact CB-CD1 3.44Å; T190-I420 HydrophobicContact CG2-CD1 4.12Å; T190-I420 WeakPolarHBondContact OG1-CD1 3.33Å; A192-I420 HydrophobicContact CB-CD1 3.62Å; G416-I420 WeakPolarHBondContact O-CD1 3.36Å; G416-I420 WeakPolarHBondContact O-CG1 3.45Å; G416-I420 PolarHBondContact O-N 3.24Å; G416-I420 VanDerWaalsContact O-N 3.09Å; S417-I420 WeakPolarHBondContact O-CB 3.48Å; S417-I420 PolarHBondContact O-N 3.11Å; R418-I420 VanDerWaalsContact C-N 3.31Å; I420-L422 VanDerWaalsContact C-N 3.27Å; I420-L422 PolarHBondContact O-N 2.94Å; I420-L423 PolarHBondContact O-N 3.14Å; I420-E424 HydrophobicContact CG2-CG 4.37Å; I420-E424 WeakPolarHBondContact O-CG 3.09Å; I420-E424 PolarHBondContact O-N 2.88Å; I420-L446 HydrophobicContact CD1-CD1 3.89Å; I420-L446 HydrophobicContact CG1-CD1 3.51Å
421	D	97.1	Very high	96.3	Very high	70 Å²	70	41 Å²	41	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-55.6	-44.1	178.4	-61	-22	0	0	0	111.7	S417 R418 I419 N425	S417-D421 PolarHBondContact O-N 3.06Å; R418-D421 IonicContact NH1-OD2 3.66Å; R418-D421 PolarHBondContact O-N 2.79Å; I419-D421 PolarHBondContact O-N 3.16Å; D421-N425 PolarHBondContact O-N 3.22Å; D421-N425 VanDerWaalsContact O-N 3.15Å; D421-N425 PolarHBondContact O-ND2 3.01Å
422	L	98.1	Very high	96.7	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-46.1	-179.7	-74.2	170.7	0	0	0	111.5	Y383 L385 R418 I419 I420 N425 G426 K427 V429	Y383-L422 HydrophobicContact CD1-CD1 3.92Å; Y383-L422 HydrophobicContact CD1-CD2 3.7Å; Y383-L422 HydrophobicContact CD1-CG 4.49Å; Y383-L422 HydrophobicContact CD2-CD2 4.3Å; Y383-L422 HydrophobicContact CE1-CD2 3.61Å; Y383-L422 HydrophobicContact CE2-CD2 4.26Å; Y383-L422 HydrophobicContact CG-CD1 4.06Å; Y383-L422 HydrophobicContact CG-CD2 4.06Å; L385-L422 HydrophobicContact CD1-CD1 3.95Å; L385-L422 HydrophobicContact CD2-CD1 4.21Å; R418-L422 HydrophobicContact CG-CD1 4.25Å; R418-L422 VanDerWaalsContact O-CG 3.32Å; R418-L422 WeakPolarHBondContact O-CG 3.36Å; R418-L422 PolarHBondContact O-N 3.04Å; I419-L422 PolarHBondContact O-N 2.9Å; I420-L422 VanDerWaalsContact C-N 3.27Å; I420-L422 PolarHBondContact O-N 2.94Å; L422-N425 CarbonylContact O-C 3.55Å; L422-N425 PolarHBondContact O-N 3.43Å; L422-G426 PolarHBondContact O-N 3.07Å; L422-K427 HydrophobicContact CB-CB 4.07Å; L422-K427 HydrophobicContact CD2-CB 4.24Å; L422-K427 HydrophobicContact CD2-CG 4.04Å; L422-K427 WeakPolarHBondContact O-CB 3.46Å; L422-K427 WeakPolarHBondContact O-CG 3.21Å; L422-K427 PolarHBondContact O-N 3.31Å; L422-V429 HydrophobicContact CB-CG2 4.1Å; L422-V429 HydrophobicContact CD1-CG2 3.89Å
423	L	97.2	Very high	97	Very high	70 Å²	70	40.7 Å²	40.7	37%	0.366	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-41.8	178.9	-67.8	176.7	0	0	0	111.8	I419 I420 N425 G426 K427 T443	I419-L423 HydrophobicContact CG2-CD1 3.74Å; I419-L423 HydrophobicContact CG2-CG 4.03Å; I419-L423 WeakPolarHBondContact O-CB 3.32Å; I419-L423 VanDerWaalsContact O-CG 3.25Å; I419-L423 WeakPolarHBondContact O-CG 3.3Å; I419-L423 PolarHBondContact O-N 3.18Å; I420-L423 PolarHBondContact O-N 3.14Å; L423-N425 PolarHBondContact O-N 2.93Å; L423-G426 PolarHBondContact O-N 2.8Å; L423-K427 WeakPolarHBondContact CD2-O 3.18Å; L423-T443 HydrophobicContact CD1-CG2 4.3Å; L423-T443 HydrophobicContact CD2-CG2 4.31Å
424	E	96.9	Very high	97.2	Very high	150 Å²	150	40.2 Å²	40.2	70%	0.701	21%	0.209	S	C	*	.	H	α-helix	trans	-63.8	-28.1	176.2	-72.2	179.4	172.7	0	0	112.6	I420 G426	I420-E424 HydrophobicContact CG2-CG 4.37Å; I420-E424 WeakPolarHBondContact O-CG 3.09Å; I420-E424 PolarHBondContact O-N 2.88Å; E424-G426 VanDerWaalsContact C-N 3.26Å; E424-G426 PolarHBondContact O-N 2.92Å
425	N	97.3	Very high	97.2	Very high	118 Å²	118	37.7 Å²	37.7	63%	0.631	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	17.6	174.2	-73.9	-85.6	0	0	0	113.2	D421 L422 L423 K427	D421-N425 PolarHBondContact O-N 3.22Å; D421-N425 VanDerWaalsContact O-N 3.15Å; D421-N425 PolarHBondContact O-ND2 3.01Å; L422-N425 CarbonylContact O-C 3.55Å; L422-N425 PolarHBondContact O-N 3.43Å; L423-N425 PolarHBondContact O-N 2.93Å; N425-K427 VanDerWaalsContact C-N 3.28Å; N425-K427 PolarHBondContact O-N 3.02Å
426	G	96	Very high	97	Very high	59 Å²	59	38.3 Å²	38.3	61%	0.608	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	23.2	175.2	0	0	0	0	0	114.2	L422 L423 E424	L422-G426 PolarHBondContact O-N 3.07Å; L423-G426 PolarHBondContact O-N 2.8Å; E424-G426 VanDerWaalsContact C-N 3.26Å; E424-G426 PolarHBondContact O-N 2.92Å
427	K	97.6	Very high	97	Very high	60 Å²	60	38.5 Å²	38.5	26%	0.261	21%	0.205	S	C	.	.			trans	-90.1	155.7	176.4	-51.9	-48.6	-169.1	-177.4	0	111	N381 Y383 L422 L423 N425	N381-K427 PolarHBondContact OD1-NZ 2.77Å; Y383-K427 HydrophobicContact CD2-CB 3.76Å; Y383-K427 HydrophobicContact CD2-CG 4.18Å; Y383-K427 HydrophobicContact CE2-CB 3.73Å; Y383-K427 HydrophobicContact CE2-CD 3.79Å; Y383-K427 HydrophobicContact CE2-CG 3.62Å; L422-K427 HydrophobicContact CB-CB 4.07Å; L422-K427 HydrophobicContact CD2-CB 4.24Å; L422-K427 HydrophobicContact CD2-CG 4.04Å; L422-K427 WeakPolarHBondContact O-CB 3.46Å; L422-K427 WeakPolarHBondContact O-CG 3.21Å; L422-K427 PolarHBondContact O-N 3.31Å; L423-K427 WeakPolarHBondContact CD2-O 3.18Å; N425-K427 VanDerWaalsContact C-N 3.28Å; N425-K427 PolarHBondContact O-N 3.02Å
428	E	97.1	Very high	97.1	Very high	80 Å²	80	37 Å²	37	37%	0.374	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.4	177.2	-174	174.7	-171.3	0	0	109.2	W369 N381 V382 Y383 L430	W369-E428 VanDerWaalsContact NE1-CD 3.29Å; W369-E428 PolarHBondContact NE1-OE1 3.02Å; W369-E428 VanDerWaalsContact NE1-OE1 3.16Å; W369-E428 PolarHBondContact NE1-OE2 2.92Å; N381-E428 PolarHBondContact O-N 3.41Å; V382-E428 CarbonylContact C-O 3.51Å; V382-E428 WeakPolarHBondContact CA-O 3.23Å; Y383-E428 PolarHBondContact N-O 3.47Å; E428-L430 HydrophobicContact CG-CD2 4.03Å
429	V	98.4	Very high	97.2	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125	174.5	179.1	0	0	0	0	108.5	Y383 L385 I419 L422 T443	Y383-V429 WeakPolarHBondContact O-CA 3.49Å; L385-V429 HydrophobicContact CD1-CG1 3.63Å; L385-V429 HydrophobicContact CD1-CG2 4.11Å; I419-V429 HydrophobicContact CD1-CG1 4.1Å; I419-V429 HydrophobicContact CG1-CG1 4.08Å; I419-V429 HydrophobicContact CG1-CG2 4.28Å; I419-V429 HydrophobicContact CG2-CB 4.47Å; I419-V429 HydrophobicContact CG2-CG2 4.25Å; L422-V429 HydrophobicContact CB-CG2 4.1Å; L422-V429 HydrophobicContact CD1-CG2 3.89Å; V429-T443 HydrophobicContact CB-CG2 3.75Å; V429-T443 HydrophobicContact CG1-CG2 4.29Å; V429-T443 WeakPolarHBondContact O-CG2 3.4Å
430	L	98.2	Very high	97.2	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.073	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-36	-178.2	-61.7	-178.2	0	0	0	113	M365 F366 W369 V382 Y383 M384 E428 G442	M365-L430 HydrophobicContact CB-CB 4.47Å; M365-L430 WeakPolarHBondContact CE-O 3.18Å; F366-L430 HydrophobicContact CD2-CD1 4.21Å; W369-L430 HydrophobicContact CB-CD1 3.67Å; W369-L430 HydrophobicContact CB-CD2 4.21Å; W369-L430 HydrophobicContact CD2-CD1 4.19Å; W369-L430 HydrophobicContact CG-CD1 3.68Å; W369-L430 HydrophobicContact CG-CD2 3.98Å; W369-L430 HydrophobicContact CG-CG 4.49Å; V382-L430 HydrophobicContact CG1-CD1 3.4Å; V382-L430 HydrophobicContact CG1-CG 3.71Å; Y383-L430 PolarHBondContact O-N 3.29Å; M384-L430 HydrophobicContact CE-CB 3.85Å; M384-L430 HydrophobicContact CE-CD1 4.1Å; M384-L430 HydrophobicContact CG-CB 4.5Å; E428-L430 HydrophobicContact CG-CD2 4.03Å; L430-G442 PolarHBondContact O-N 2.83Å
431	F	98.7	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	141.7	-171.2	-179	-116.7	0	0	0	111.3	A358 F361 M365 M384 L385 L394 F433 F439 L440	A358-F431 HydrophobicContact CB-CE1 4.13Å; A358-F431 HydrophobicContact CB-CZ 4.29Å; F361-F431 HydrophobicContact CB-CD1 4.38Å; F361-F431 HydrophobicContact CB-CD2 4.06Å; F361-F431 HydrophobicContact CB-CE1 3.81Å; F361-F431 HydrophobicContact CB-CE2 3.46Å; F361-F431 VanDerWaalsContact CB-CE2 3.46Å; F361-F431 HydrophobicContact CB-CG 4.49Å; F361-F431 HydrophobicContact CB-CZ 3.31Å; F361-F431 HydrophobicContact CD1-CE2 4.4Å; F361-F431 HydrophobicContact CD2-CE2 4.19Å; F361-F431 HydrophobicContact CD2-CZ 4.03Å; F361-F431 AromaticContact CG-CE2 3.81Å; F361-F431 HydrophobicContact CG-CE2 3.81Å; F361-F431 AromaticContact CG-CZ 3.9Å; F361-F431 HydrophobicContact CG-CZ 3.9Å; M365-F431 HydrophobicContact CB-CB 4.35Å; M365-F431 HydrophobicContact CG-CB 4.22Å; M365-F431 HydrophobicContact CG-CD2 4.43Å; M384-F431 WeakPolarHBondContact CA-O 3.42Å; M384-F431 WeakPolarHBondContact CB-O 3.39Å; M384-F431 HydrophobicContact CE-CB 4.13Å; M384-F431 HydrophobicContact CG-CB 4.18Å; M384-F431 HydrophobicContact SD-CB 4.14Å; M384-F431 HydrophobicContact SD-CD1 4.5Å; L385-F431 PolarHBondContact N-O 3.01Å; L394-F431 HydrophobicContact CD1-CD1 3.74Å; L394-F431 HydrophobicContact CD1-CE1 3.95Å; L394-F431 HydrophobicContact CD2-CD1 4.25Å; L394-F431 HydrophobicContact CD2-CE1 4.37Å; F431-F433 HydrophobicContact CE1-CB 3.94Å; F431-F433 AromaticContact CE1-CD1 3.86Å; F431-F433 HydrophobicContact CE1-CD1 3.86Å; F431-F433 HydrophobicContact CE1-CG 4.14Å; F431-F433 HydrophobicContact CE2-CB 4.5Å; F431-F433 HydrophobicContact CZ-CB 3.7Å; F431-F433 HydrophobicContact CZ-CD1 4.46Å; F431-F433 HydrophobicContact CZ-CG 4.29Å; F431-F439 HydrophobicContact CE2-CB 4.17Å; F431-F439 HydrophobicContact CE2-CD1 4.24Å; F431-F439 AromaticContact CZ-CD1 3.86Å; F431-F439 HydrophobicContact CZ-CD1 3.86Å; F431-L440 WeakPolarHBondContact CA-O 3.43Å; F431-L440 VanDerWaalsContact CD2-O 3.25Å; F431-L440 WeakPolarHBondContact CD2-O 3.5Å
432	A	98.6	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.9	167.3	0	0	0	0	0	111.5	L385 I415 I419 L440	L385-A432 HydrophobicContact CB-CB 3.91Å; L385-A432 WeakPolarHBondContact O-CA 3.27Å; I415-A432 HydrophobicContact CG2-CB 3.49Å; I415-A432 VanDerWaalsContact CG2-CB 3.49Å; I419-A432 HydrophobicContact CD1-CB 4.19Å; A432-L440 HydrophobicContact CB-CB 4.47Å; A432-L440 PolarHBondContact N-O 2.98Å; A432-L440 PolarHBondContact O-N 2.92Å
433	F	98.3	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.1	178.8	85	-73.7	0	0	0	115.5	N355 A358 L385 A386 T387 L394 F431 G438 F439	N355-F433 WeakPolarHBondContact OD1-CE2 3.32Å; A358-F433 HydrophobicContact CB-CB 4.27Å; A358-F433 HydrophobicContact CB-CD1 3.69Å; A358-F433 HydrophobicContact CB-CD2 3.23Å; A358-F433 HydrophobicContact CB-CE1 3.68Å; A358-F433 HydrophobicContact CB-CE2 3.21Å; A358-F433 HydrophobicContact CB-CG 3.45Å; A358-F433 VanDerWaalsContact CB-CG 3.45Å; A358-F433 HydrophobicContact CB-CZ 3.44Å; A358-F433 VanDerWaalsContact CB-CZ 3.44Å; L385-F433 PolarHBondContact O-N 2.77Å; L385-F433 VanDerWaalsContact O-N 3.16Å; A386-F433 WeakPolarHBondContact CA-O 3.42Å; A386-F433 HydrophobicContact CB-CD1 3.68Å; A386-F433 HydrophobicContact CB-CE1 3.31Å; A386-F433 HydrophobicContact CB-CZ 4.02Å; T387-F433 PolarHBondContact N-O 2.87Å; L394-F433 HydrophobicContact CD1-CD1 3.51Å; L394-F433 HydrophobicContact CD1-CE1 3.44Å; L394-F433 VanDerWaalsContact CD1-CE1 3.44Å; L394-F433 HydrophobicContact CG-CD1 4.23Å; L394-F433 HydrophobicContact CG-CE1 3.7Å; F431-F433 HydrophobicContact CE1-CB 3.94Å; F431-F433 AromaticContact CE1-CD1 3.86Å; F431-F433 HydrophobicContact CE1-CD1 3.86Å; F431-F433 HydrophobicContact CE1-CG 4.14Å; F431-F433 HydrophobicContact CE2-CB 4.5Å; F431-F433 HydrophobicContact CZ-CB 3.7Å; F431-F433 HydrophobicContact CZ-CD1 4.46Å; F431-F433 HydrophobicContact CZ-CG 4.29Å; F433-G438 CarbonylContact C-O 3.6Å; F433-G438 WeakPolarHBondContact CA-O 3.48Å; F433-G438 WeakPolarHBondContact CB-O 3.28Å; F433-F439 HydrophobicContact CB-CD1 3.82Å; F433-F439 HydrophobicContact CB-CE1 4.3Å
434	E	96.2	Very high	96.8	Very high	15 Å²	15	30.3 Å²	30.3	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.8	164.8	-170.3	165.6	-162.4	0	0	107.8	T387 G411 F412 S436 I437 G438	T387-E434 HydrophobicContact CG2-CB 3.8Å; T387-E434 HydrophobicContact CG2-CG 3.62Å; G411-E434 PolarHBondContact N-OE1 2.92Å; F412-E434 HydrophobicContact CD2-CB 4.15Å; F412-E434 HydrophobicContact CE2-CB 3.64Å; E434-S436 PolarHBondContact O-N 2.71Å; E434-S436 VanDerWaalsContact O-N 3.08Å; E434-I437 PolarHBondContact O-N 2.85Å; E434-G438 PolarHBondContact N-O 3.01Å; E434-G438 PolarHBondContact O-N 3.4Å; E434-G438 VanDerWaalsContact O-N 3.12Å
435	E	94.9	Very high	96.8	Very high	16 Å²	16	23.4 Å²	23.4	8%	0.075	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-24.7	-176.4	75.2	-62.7	164.3	0	0	113.6	G354 N355 T387 V389 S390 I437 Y579	G354-E435 WeakPolarHBondContact CA-O 3.26Å; N355-E435 VanDerWaalsContact OD1-CB 3.27Å; N355-E435 WeakPolarHBondContact OD1-CB 3.19Å; T387-E435 PolarHBondContact OG1-OE2 3.02Å; V389-E435 VanDerWaalsContact CG2-OE1 3.3Å; V389-E435 WeakPolarHBondContact CG2-OE1 3.45Å; V389-E435 WeakPolarHBondContact CG2-OE2 3.25Å; S390-E435 PolarHBondContact OG-N 3.1Å; S390-E435 VanDerWaalsContact OG-N 3.14Å; S390-E435 PolarHBondContact OG-OE2 2.88Å; E435-I437 PolarHBondContact O-N 3.28Å; E435-Y579 HydrophobicContact CG-CD1 4.35Å; E435-Y579 HydrophobicContact CG-CE1 4.2Å; E435-Y579 WeakPolarHBondContact OE1-CE1 3.2Å
436	S	93.1	Very high	96.7	Very high	12 Å²	12	18 Å²	18	8%	0.084	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	46.4	172.2	59.4	0	0	0	0	111.9	E434 G438	E434-S436 PolarHBondContact O-N 2.71Å; E434-S436 VanDerWaalsContact O-N 3.08Å; S436-G438 PolarHBondContact O-N 3.37Å; S436-G438 VanDerWaalsContact O-N 3.12Å
437	I	96.3	Very high	96.7	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	32.1	174.1	58.9	164.7	0	0	0	114.7	P306 E307 R337 L338 A339 E434 E435 F439	P306-I437 HydrophobicContact CB-CD1 3.76Å; P306-I437 HydrophobicContact CG-CD1 3.7Å; E307-I437 HydrophobicContact CB-CD1 4.06Å; E307-I437 HydrophobicContact CB-CG1 4.32Å; R337-I437 WeakPolarHBondContact CA-O 3.34Å; R337-I437 HydrophobicContact CB-CD1 3.92Å; R337-I437 HydrophobicContact CB-CG1 3.9Å; R337-I437 HydrophobicContact CG-CD1 4.49Å; R337-I437 HydrophobicContact CG-CG1 4.05Å; L338-I437 PolarHBondContact N-O 3.15Å; L338-I437 VanDerWaalsContact N-O 3.09Å; L338-I437 WeakPolarHBondContact O-CB 3.33Å; A339-I437 HydrophobicContact CB-CD1 4.42Å; E434-I437 PolarHBondContact O-N 2.85Å; E435-I437 PolarHBondContact O-N 3.28Å; I437-F439 HydrophobicContact CB-CE2 4.33Å
438	G	97.4	Very high	96.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.2	178.4	0	0	0	0	0	111.4	F433 E434 S436	F433-G438 CarbonylContact C-O 3.6Å; F433-G438 WeakPolarHBondContact CA-O 3.48Å; F433-G438 WeakPolarHBondContact CB-O 3.28Å; E434-G438 PolarHBondContact N-O 3.01Å; E434-G438 PolarHBondContact O-N 3.4Å; E434-G438 VanDerWaalsContact O-N 3.12Å; S436-G438 PolarHBondContact O-N 3.37Å; S436-G438 VanDerWaalsContact O-N 3.12Å
439	F	98.5	Very high	96.8	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.009	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.5	-174.1	-51.8	-67	0	0	0	111.6	L338 G354 L357 A358 F361 F431 F433 I437 K448 D449 A453	L338-F439 HydrophobicContact CB-CD2 4.24Å; L338-F439 HydrophobicContact CB-CE2 4.35Å; L338-F439 WeakPolarHBondContact O-CE2 3.34Å; G354-F439 WeakPolarHBondContact O-CE1 3.46Å; L357-F439 HydrophobicContact CB-CE1 4.05Å; L357-F439 HydrophobicContact CB-CE2 4.3Å; L357-F439 HydrophobicContact CB-CZ 3.56Å; L357-F439 HydrophobicContact CD1-CE2 3.97Å; L357-F439 HydrophobicContact CD1-CZ 3.91Å; L357-F439 HydrophobicContact CG-CZ 4.38Å; A358-F439 HydrophobicContact CB-CE1 4.23Å; F361-F439 AromaticContact CD2-CD1 3.82Å; F361-F439 HydrophobicContact CD2-CD1 3.82Å; F361-F439 HydrophobicContact CD2-CE1 4.04Å; F361-F439 HydrophobicContact CD2-CG 4.07Å; F361-F439 HydrophobicContact CD2-CZ 4.47Å; F361-F439 HydrophobicContact CE2-CB 4.35Å; F361-F439 AromaticContact CE2-CD1 3.9Å; F361-F439 HydrophobicContact CE2-CD1 3.9Å; F361-F439 AromaticContact CE2-CD2 3.76Å; F361-F439 HydrophobicContact CE2-CD2 3.76Å; F361-F439 HydrophobicContact CE2-CE1 4.1Å; F361-F439 AromaticContact CE2-CE2 3.96Å; F361-F439 HydrophobicContact CE2-CE2 3.96Å; F361-F439 AromaticContact CE2-CG 3.71Å; F361-F439 HydrophobicContact CE2-CG 3.71Å; F361-F439 HydrophobicContact CE2-CZ 4.13Å; F361-F439 HydrophobicContact CZ-CD2 4.37Å; F361-F439 HydrophobicContact CZ-CG 4.42Å; F431-F439 HydrophobicContact CE2-CB 4.17Å; F431-F439 HydrophobicContact CE2-CD1 4.24Å; F431-F439 AromaticContact CZ-CD1 3.86Å; F431-F439 HydrophobicContact CZ-CD1 3.86Å; F433-F439 HydrophobicContact CB-CD1 3.82Å; F433-F439 HydrophobicContact CB-CE1 4.3Å; I437-F439 HydrophobicContact CB-CE2 4.33Å; F439-K448 WeakPolarHBondContact O-CA 3.42Å; F439-D449 PolarHBondContact O-N 3.18Å; F439-A453 HydrophobicContact CB-CB 4.06Å; F439-A453 HydrophobicContact CD2-CB 4.11Å
440	L	97.8	Very high	96.8	Very high	3 Å²	3	9 Å²	9	2%	0.016	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	106	175.5	-174.1	173.5	0	0	0	107.6	F412 I419 F431 A432 G442 V445	F412-L440 HydrophobicContact CD1-CD1 4.3Å; F412-L440 HydrophobicContact CE1-CB 3.73Å; F412-L440 HydrophobicContact CE1-CD1 3.88Å; F412-L440 HydrophobicContact CE1-CG 4.43Å; F412-L440 HydrophobicContact CZ-CB 4.31Å; I419-L440 HydrophobicContact CD1-CD1 3.87Å; I419-L440 HydrophobicContact CD1-CD2 4.41Å; F431-L440 WeakPolarHBondContact CA-O 3.43Å; F431-L440 VanDerWaalsContact CD2-O 3.25Å; F431-L440 WeakPolarHBondContact CD2-O 3.5Å; A432-L440 HydrophobicContact CB-CB 4.47Å; A432-L440 PolarHBondContact N-O 2.98Å; A432-L440 PolarHBondContact O-N 2.92Å; L440-G442 WeakPolarHBondContact CD2-O 3.23Å; L440-V445 VanDerWaalsContact CD1-O 3.29Å; L440-V445 WeakPolarHBondContact CD1-O 3.32Å; L440-V445 WeakPolarHBondContact CG-O 3.47Å
441	C	97.3	Very high	96.8	Very high	9 Å²	9	8.4 Å²	8.4	6%	0.061	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	111.7	179.4	-61.3	0	0	0	0	109.6	I246 M365 V456	I246-C441 HydrophobicContact CD1-CB 4.03Å; M365-C441 HydrophobicContact CE-CB 4.21Å; M365-C441 HydrophobicContact SD-CB 4.32Å; C441-V456 HydrophobicContact CB-CG2 4.3Å
442	G	95.4	Very high	96.8	Very high	12 Å²	12	8.5 Å²	8.5	12%	0.124	5%	0.053	C	C	.	.	S	Bend	trans	83.5	-144.2	-172.8	0	0	0	0	0	112.5	L430 L440	L430-G442 PolarHBondContact O-N 2.83Å; L440-G442 WeakPolarHBondContact CD2-O 3.23Å
443	T	95.3	Very high	96.8	Very high	45 Å²	45	8.5 Å²	8.5	28%	0.276	5%	0.053	S	C	.	.	S	Bend	trans	-142.8	11.7	180	53.4	0	0	0	0	114	I419 L423 V429 V445	I419-T443 HydrophobicContact CG2-CG2 3.88Å; L423-T443 HydrophobicContact CD1-CG2 4.3Å; L423-T443 HydrophobicContact CD2-CG2 4.31Å; V429-T443 HydrophobicContact CB-CG2 3.75Å; V429-T443 HydrophobicContact CG1-CG2 4.29Å; V429-T443 WeakPolarHBondContact O-CG2 3.4Å; T443-V445 PolarHBondContact O-N 2.93Å
444	S	94.3	Very high	96.8	Very high	31 Å²	31	8.5 Å²	8.5	22%	0.217	5%	0.053	C	C	.	.	S	Bend	trans	-63.9	-28.6	-179.1	-63.3	0	0	0	0	112.9	Y159	Y159-S444 WeakPolarHBondContact CD2-O 3.3Å
445	V	95.8	Very high	97	Very high	6 Å²	6	7.8 Å²	7.8	4%	0.036	5%	0.049	C	C	.	.	S	Bend	trans	-129.4	128.5	175	-173.4	0	0	0	0	108.1	P155 P158 Y159 Y239 L440 T443 D447	P155-V445 HydrophobicContact CB-CB 4.5Å; P155-V445 HydrophobicContact CB-CG1 3.73Å; P155-V445 HydrophobicContact CB-CG2 4.34Å; P158-V445 HydrophobicContact CG-CG1 3.88Å; Y159-V445 HydrophobicContact CD2-CG2 3.94Å; Y159-V445 HydrophobicContact CG-CG2 4.45Å; Y239-V445 HydrophobicContact CD2-CG2 4.29Å; Y239-V445 HydrophobicContact CE2-CG2 3.9Å; L440-V445 VanDerWaalsContact CD1-O 3.29Å; L440-V445 WeakPolarHBondContact CD1-O 3.32Å; L440-V445 WeakPolarHBondContact CG-O 3.47Å; T443-V445 PolarHBondContact O-N 2.93Å; V445-D447 HydrophobicContact CG1-CB 4.42Å; V445-D447 PolarHBondContact O-N 3.37Å
446	L	95.9	Very high	97.1	Very high	4 Å²	4	7 Å²	7	2%	0.021	5%	0.046	C	C	.	.	S	Bend	trans	-93.3	39.1	-179.7	-58.3	-174.2	0	0	0	112.8	I419 I420	I419-L446 HydrophobicContact CB-CD2 4.24Å; I419-L446 HydrophobicContact CG2-CD2 3.58Å; I420-L446 HydrophobicContact CD1-CD1 3.89Å; I420-L446 HydrophobicContact CG1-CD1 3.51Å
447	D	96.7	Very high	97.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-146.9	175.8	171	-158	-12.6	0	0	0	108.1	P158 Y187 Q193 F412 V445	P158-D447 HydrophobicContact CG-CB 4.28Å; Y187-D447 HydrophobicContact CE1-CB 4.2Å; Y187-D447 WeakPolarHBondContact CE1-OD2 3.34Å; Y187-D447 VanDerWaalsContact CZ-OD2 3.29Å; Y187-D447 PolarHBondContact OH-OD2 3.15Å; Q193-D447 VanDerWaalsContact NE2-CG 3.33Å; Q193-D447 PolarHBondContact NE2-OD1 3.33Å; Q193-D447 PolarHBondContact NE2-OD2 3.13Å; F412-D447 WeakPolarHBondContact CB-OD1 3.45Å; V445-D447 HydrophobicContact CG1-CB 4.42Å; V445-D447 PolarHBondContact O-N 3.37Å
448	K	97.3	Very high	97.6	Very high	10 Å²	10	6.4 Å²	6.4	4%	0.043	4%	0.042	C	C	.	.			trans	-60.5	141.2	172.6	-51.3	166.6	-57.2	-51	0	110.1	D336 F412 F439	D336-K448 HydrophobicContact CB-CB 4.09Å; D336-K448 CarbonylContact O-C 3.45Å; D336-K448 WeakPolarHBondContact O-CB 3.45Å; D336-K448 WeakPolarHBondContact OD1-CE 3.45Å; D336-K448 WeakPolarHBondContact OD2-CE 3.27Å; D336-K448 IonicContact OD2-NZ 2.8Å; D336-K448 PolarHBondContact OD2-NZ 3.45Å; F412-K448 HydrophobicContact CB-CG 4.46Å; F412-K448 HydrophobicContact CD1-CG 3.82Å; F412-K448 HydrophobicContact CD2-CD 3.6Å; F412-K448 HydrophobicContact CD2-CG 3.22Å; F412-K448 HydrophobicContact CE1-CB 4.48Å; F412-K448 HydrophobicContact CE1-CG 3.77Å; F412-K448 HydrophobicContact CE2-CB 4.45Å; F412-K448 HydrophobicContact CE2-CD 3.72Å; F412-K448 HydrophobicContact CE2-CG 3.16Å; F412-K448 HydrophobicContact CG-CD 4.24Å; F412-K448 HydrophobicContact CG-CG 3.54Å; F412-K448 HydrophobicContact CZ-CB 4.37Å; F412-K448 HydrophobicContact CZ-CD 4.45Å; F412-K448 HydrophobicContact CZ-CG 3.44Å; F412-K448 VanDerWaalsContact CZ-CG 3.44Å; F439-K448 WeakPolarHBondContact O-CA 3.42Å
449	D	98.4	Very high	97.6	Very high	7 Å²	7	6.4 Å²	6.4	4%	0.037	4%	0.042	C	C	.	.			trans	-139	89.5	-177.5	-173.1	-18.2	0	0	0	110.6	P155 Y239 F439 V451 S452 A453	P155-D449 HydrophobicContact CB-CB 4.07Å; P155-D449 HydrophobicContact CG-CB 4.31Å; Y239-D449 VanDerWaalsContact CE2-OD2 3.27Å; Y239-D449 WeakPolarHBondContact CE2-OD2 3.48Å; Y239-D449 PolarHBondContact OH-OD1 3.33Å; Y239-D449 PolarHBondContact OH-OD2 3.3Å; F439-D449 PolarHBondContact O-N 3.18Å; D449-V451 PolarHBondContact O-N 2.96Å; D449-V451 WeakPolarHBondContact OD1-CB 3.47Å; D449-V451 PolarHBondContact OD1-N 2.74Å; D449-V451 VanDerWaalsContact OD1-N 3.11Å; D449-S452 WeakPolarHBondContact CB-OG 3.29Å; D449-S452 VanDerWaalsContact CG-OG 3.29Å; D449-S452 PolarHBondContact O-N 3.49Å; D449-S452 PolarHBondContact O-OG 2.77Å; D449-S452 PolarHBondContact OD1-N 2.72Å; D449-A453 WeakPolarHBondContact O-CB 3.39Å; D449-A453 PolarHBondContact O-N 3.39Å
450	G	98.4	Very high	97.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65	-26.8	178	0	0	0	0	0	113.3	A335 D336 A454	A335-G450 WeakPolarHBondContact O-CA 3.28Å; A335-G450 PolarHBondContact O-N 2.73Å; A335-G450 VanDerWaalsContact O-N 3.12Å; D336-G450 PolarHBondContact O-N 3.32Å; G450-A454 WeakPolarHBondContact O-CB 3.43Å; G450-A454 PolarHBondContact O-N 2.88Å
451	V	98.7	Very high	97.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.9	-49.1	177.1	178.6	0	0	0	0	110.2	P153 Y239 V273 A276 A335 D449 A454	P153-V451 HydrophobicContact CB-CG2 4.28Å; P153-V451 HydrophobicContact CG-CG2 4.09Å; Y239-V451 HydrophobicContact CE1-CG1 4.16Å; V273-V451 HydrophobicContact CG2-CG1 4.36Å; V273-V451 HydrophobicContact CG2-CG2 4.28Å; A276-V451 HydrophobicContact CB-CG1 3.84Å; A335-V451 HydrophobicContact CB-CG2 4.12Å; D449-V451 PolarHBondContact O-N 2.96Å; D449-V451 WeakPolarHBondContact OD1-CB 3.47Å; D449-V451 PolarHBondContact OD1-N 2.74Å; D449-V451 VanDerWaalsContact OD1-N 3.11Å; V451-A454 PolarHBondContact O-N 2.76Å
452	S	98.6	Very high	97.7	Very high	2 Å²	2	6 Å²	6	1%	0.014	4%	0.039	C	C	.	.	H	α-helix	trans	-64.7	-42	176.1	78.1	0	0	0	0	111.8	D449 A454 V455 V456	D449-S452 WeakPolarHBondContact CB-OG 3.29Å; D449-S452 VanDerWaalsContact CG-OG 3.29Å; D449-S452 PolarHBondContact O-N 3.49Å; D449-S452 PolarHBondContact O-OG 2.77Å; D449-S452 PolarHBondContact OD1-N 2.72Å; S452-A454 VanDerWaalsContact C-N 3.28Å; S452-A454 PolarHBondContact O-N 2.96Å; S452-V455 WeakPolarHBondContact O-CG2 3.44Å; S452-V455 PolarHBondContact O-N 3.27Å; S452-V456 WeakPolarHBondContact O-CG2 3.36Å; S452-V456 PolarHBondContact O-N 2.85Å; S452-V456 VanDerWaalsContact O-N 3.14Å
453	A	98.8	Very high	97.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.6	-38.8	179.9	0	0	0	0	0	111.2	L338 F361 F439 D449 V455 V456 V457	L338-A453 HydrophobicContact CB-CB 4.06Å; L338-A453 HydrophobicContact CD2-CB 3.59Å; L338-A453 HydrophobicContact CG-CB 4.46Å; F361-A453 HydrophobicContact CE1-CB 4.45Å; F361-A453 HydrophobicContact CZ-CB 3.85Å; F439-A453 HydrophobicContact CB-CB 4.06Å; F439-A453 HydrophobicContact CD2-CB 4.11Å; D449-A453 WeakPolarHBondContact O-CB 3.39Å; D449-A453 PolarHBondContact O-N 3.39Å; A453-V455 PolarHBondContact O-N 3.1Å; A453-V456 PolarHBondContact O-N 3.26Å; A453-V457 WeakPolarHBondContact O-CG2 3.26Å; A453-V457 PolarHBondContact O-N 3.09Å
454	A	98.8	Very high	98	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-59.9	-46	-178.1	0	0	0	0	0	111.8	V273 L329 L338 G450 V451 S452 V457 A458	V273-A454 HydrophobicContact CG1-CB 4.31Å; V273-A454 HydrophobicContact CG2-CB 4.44Å; L329-A454 HydrophobicContact CD1-CB 4.17Å; L329-A454 WeakPolarHBondContact CD1-O 3.37Å; L338-A454 HydrophobicContact CD1-CB 3.89Å; L338-A454 HydrophobicContact CD2-CB 4.43Å; G450-A454 WeakPolarHBondContact O-CB 3.43Å; G450-A454 PolarHBondContact O-N 2.88Å; V451-A454 PolarHBondContact O-N 2.76Å; S452-A454 VanDerWaalsContact C-N 3.28Å; S452-A454 PolarHBondContact O-N 2.96Å; A454-V457 PolarHBondContact O-N 3.02Å; A454-A458 PolarHBondContact O-N 2.62Å; A454-A458 VanDerWaalsContact O-N 3.07Å
455	V	98.8	Very high	98.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-75.3	-29.5	-179.7	-70	0	0	0	0	113.2	A276 F277 F280 S452 A453 A458 E459	A276-V455 VanDerWaalsContact C-CG1 3.43Å; A276-V455 HydrophobicContact CB-CG1 3.51Å; A276-V455 HydrophobicContact CB-CG2 4.25Å; F277-V455 HydrophobicContact CD2-CG1 3.43Å; F277-V455 VanDerWaalsContact CD2-CG1 3.43Å; F277-V455 HydrophobicContact CE2-CG1 3.84Å; F277-V455 HydrophobicContact CG-CG1 4.19Å; F280-V455 HydrophobicContact CB-CB 4.43Å; F280-V455 HydrophobicContact CD1-CB 3.98Å; F280-V455 HydrophobicContact CD1-CG2 4.33Å; F280-V455 HydrophobicContact CD2-CB 3.89Å; F280-V455 HydrophobicContact CD2-CG1 4.45Å; F280-V455 HydrophobicContact CD2-CG2 3.76Å; F280-V455 HydrophobicContact CE1-CB 4.16Å; F280-V455 HydrophobicContact CE1-CG2 4.07Å; F280-V455 HydrophobicContact CE2-CB 4.09Å; F280-V455 HydrophobicContact CE2-CG2 3.49Å; F280-V455 VanDerWaalsContact CE2-CG2 3.49Å; F280-V455 HydrophobicContact CG-CB 3.83Å; F280-V455 HydrophobicContact CG-CG1 4.49Å; F280-V455 HydrophobicContact CG-CG2 4.18Å; F280-V455 HydrophobicContact CZ-CB 4.2Å; F280-V455 HydrophobicContact CZ-CG2 3.64Å; S452-V455 WeakPolarHBondContact O-CG2 3.44Å; S452-V455 PolarHBondContact O-N 3.27Å; A453-V455 PolarHBondContact O-N 3.1Å; V455-A458 PolarHBondContact O-N 2.88Å; V455-E459 WeakPolarHBondContact O-CB 3.41Å; V455-E459 PolarHBondContact O-N 3.49Å
456	V	98.8	Very high	98.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68.7	-39.5	173.1	173.1	0	0	0	0	110.8	I246 F280 F361 M365 C441 S452 A453 A458 E459 M460	I246-V456 HydrophobicContact CD1-CG2 3.94Å; F280-V456 HydrophobicContact CE1-CG2 4.36Å; F280-V456 HydrophobicContact CZ-CG2 4.26Å; F361-V456 HydrophobicContact CD1-CB 4.46Å; F361-V456 HydrophobicContact CD1-CG1 3.67Å; F361-V456 HydrophobicContact CE1-CB 3.83Å; F361-V456 HydrophobicContact CE1-CG1 3.5Å; F361-V456 VanDerWaalsContact CE1-CG1 3.5Å; M365-V456 HydrophobicContact SD-CG1 4.4Å; C441-V456 HydrophobicContact CB-CG2 4.3Å; S452-V456 WeakPolarHBondContact O-CG2 3.36Å; S452-V456 PolarHBondContact O-N 2.85Å; S452-V456 VanDerWaalsContact O-N 3.14Å; A453-V456 PolarHBondContact O-N 3.26Å; V456-A458 VanDerWaalsContact C-N 3.33Å; V456-E459 PolarHBondContact O-N 2.83Å; V456-M460 VanDerWaalsContact O-CB 3.31Å; V456-M460 WeakPolarHBondContact O-CB 3.47Å; V456-M460 PolarHBondContact O-N 3.12Å
457	V	98.9	Very high	98.2	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.018	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-42.1	170.9	173	0	0	0	0	110.9	L329 L338 A340 F361 A453 A454 M460 A461 L471	L329-V457 HydrophobicContact CD2-CB 4.02Å; L329-V457 HydrophobicContact CD2-CG1 3.73Å; L338-V457 HydrophobicContact CD2-CG2 3.91Å; A340-V457 HydrophobicContact CB-CG1 4.25Å; F361-V457 HydrophobicContact CE1-CG2 3.96Å; F361-V457 HydrophobicContact CE2-CG2 4.13Å; F361-V457 HydrophobicContact CZ-CG2 3.43Å; F361-V457 VanDerWaalsContact CZ-CG2 3.43Å; A453-V457 WeakPolarHBondContact O-CG2 3.26Å; A453-V457 PolarHBondContact O-N 3.09Å; A454-V457 PolarHBondContact O-N 3.02Å; V457-M460 PolarHBondContact O-N 2.62Å; V457-A461 WeakPolarHBondContact O-CB 3.37Å; V457-A461 PolarHBondContact O-N 2.87Å; V457-L471 HydrophobicContact CG1-CD1 4.12Å
458	A	98.9	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-44.8	178.2	0	0	0	0	0	112.6	F260 F277 F282 A454 V455 V456 A461 S462	F260-A458 HydrophobicContact CD1-CB 4.04Å; F260-A458 HydrophobicContact CE1-CB 3.64Å; F260-A458 HydrophobicContact CE2-CB 4.31Å; F260-A458 HydrophobicContact CZ-CB 3.76Å; F277-A458 HydrophobicContact CE1-CB 3.94Å; F277-A458 HydrophobicContact CE2-CB 4.39Å; F277-A458 HydrophobicContact CZ-CB 3.66Å; F282-A458 HydrophobicContact CD2-CB 4.29Å; F282-A458 HydrophobicContact CE2-CB 3.77Å; F282-A458 HydrophobicContact CZ-CB 4.07Å; F282-A458 WeakPolarHBondContact CZ-O 3.37Å; A454-A458 PolarHBondContact O-N 2.62Å; A454-A458 VanDerWaalsContact O-N 3.07Å; V455-A458 PolarHBondContact O-N 2.88Å; V456-A458 VanDerWaalsContact C-N 3.33Å; A458-A461 PolarHBondContact O-N 2.87Å; A458-S462 WeakPolarHBondContact O-CB 3.39Å; A458-S462 PolarHBondContact O-N 3.26Å
459	E	98.8	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-44.9	174.2	-171.4	167.6	82.4	0	0	111.9	C247 F248 Y249 N253 F280 F282 W364 V455 V456 A461 S462 Y463	C247-E459 PolarHBondContact SG-OE2 2.85Å; F248-E459 PolarHBondContact N-OE1 3.11Å; F248-E459 PolarHBondContact N-OE2 3.22Å; F248-E459 VanDerWaalsContact N-OE2 3.16Å; Y249-E459 HydrophobicContact CD2-CG 4.34Å; Y249-E459 PolarHBondContact N-OE2 3.07Å; N253-E459 PolarHBondContact ND2-OE2 3.08Å; F280-E459 HydrophobicContact CD1-CB 4Å; F280-E459 HydrophobicContact CE1-CB 4.2Å; F282-E459 HydrophobicContact CE2-CB 4.34Å; F282-E459 HydrophobicContact CZ-CB 4.42Å; W364-E459 HydrophobicContact CH2-CG 4.3Å; W364-E459 HydrophobicContact CZ2-CB 4.37Å; W364-E459 HydrophobicContact CZ2-CG 3.73Å; V455-E459 WeakPolarHBondContact O-CB 3.41Å; V455-E459 PolarHBondContact O-N 3.49Å; V456-E459 PolarHBondContact O-N 2.83Å; E459-A461 PolarHBondContact O-N 2.81Å; E459-S462 PolarHBondContact O-N 3.02Å; E459-Y463 WeakPolarHBondContact O-CB 3.28Å; E459-Y463 PolarHBondContact O-N 2.82Å
460	M	98.8	Very high	98.2	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-47.9	176.8	-168.5	-173	-41.4	0	0	111.6	L360 F361 W363 W364 V456 V457 S462 Y463 L464 L471	L360-M460 HydrophobicContact CB-CE 4.16Å; L360-M460 HydrophobicContact CB-SD 3.76Å; L360-M460 HydrophobicContact CD2-SD 4.22Å; L360-M460 HydrophobicContact CG-SD 4.46Å; F361-M460 HydrophobicContact CD1-CE 4.24Å; W363-M460 HydrophobicContact CE3-SD 4.2Å; W363-M460 HydrophobicContact CZ3-CG 3.82Å; W363-M460 HydrophobicContact CZ3-SD 3.93Å; W364-M460 HydrophobicContact CB-CE 3.49Å; W364-M460 VanDerWaalsContact CB-CE 3.49Å; W364-M460 HydrophobicContact CB-CG 4.4Å; W364-M460 HydrophobicContact CB-SD 4.16Å; W364-M460 HydrophobicContact CD2-CB 4.11Å; W364-M460 HydrophobicContact CD2-CE 4.45Å; W364-M460 HydrophobicContact CD2-CG 4Å; W364-M460 HydrophobicContact CE3-CB 4.23Å; W364-M460 HydrophobicContact CE3-CG 3.81Å; W364-M460 HydrophobicContact CG-CB 4.45Å; W364-M460 HydrophobicContact CG-CE 3.77Å; W364-M460 HydrophobicContact CG-CG 4.28Å; W364-M460 HydrophobicContact CZ3-CG 4.39Å; V456-M460 VanDerWaalsContact O-CB 3.31Å; V456-M460 WeakPolarHBondContact O-CB 3.47Å; V456-M460 PolarHBondContact O-N 3.12Å; V457-M460 PolarHBondContact O-N 2.62Å; M460-S462 PolarHBondContact O-N 3.39Å; M460-Y463 PolarHBondContact O-N 3.09Å; M460-L464 HydrophobicContact CG-CD1 4.13Å; M460-L464 WeakPolarHBondContact O-CB 3.45Å; M460-L464 VanDerWaalsContact O-CG 3.22Å; M460-L464 WeakPolarHBondContact O-CG 3.36Å; M460-L464 PolarHBondContact O-N 3.41Å; M460-L471 HydrophobicContact CB-CD2 4.39Å; M460-L471 HydrophobicContact CG-CD2 3.98Å; M460-L471 HydrophobicContact SD-CD2 3.76Å
461	A	98.7	Very high	98.2	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-40.8	178.8	0	0	0	0	0	112.2	L258 F260 I327 V457 A458 E459 L464 E465 L471	L258-A461 HydrophobicContact CD2-CB 3.65Å; F260-A461 HydrophobicContact CE1-CB 4.23Å; I327-A461 HydrophobicContact CD1-CB 4.39Å; I327-A461 HydrophobicContact CG1-CB 4.2Å; V457-A461 WeakPolarHBondContact O-CB 3.37Å; V457-A461 PolarHBondContact O-N 2.87Å; A458-A461 PolarHBondContact O-N 2.87Å; E459-A461 PolarHBondContact O-N 2.81Å; A461-L464 PolarHBondContact O-N 3.04Å; A461-E465 PolarHBondContact O-N 3.3Å; A461-L471 HydrophobicContact CB-CD1 4.19Å; A461-L471 HydrophobicContact CB-CD2 4.4Å; A461-L471 HydrophobicContact CB-CG 4.24Å
462	S	98.4	Very high	98.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-37.7	175.6	-176.5	0	0	0	0	112.3	T256 A458 E459 M460	T256-S462 VanDerWaalsContact CB-OG 3.31Å; T256-S462 WeakPolarHBondContact CB-OG 3.36Å; T256-S462 PolarHBondContact OG1-OG 3.32Å; A458-S462 WeakPolarHBondContact O-CB 3.39Å; A458-S462 PolarHBondContact O-N 3.26Å; E459-S462 PolarHBondContact O-N 3.02Å; M460-S462 PolarHBondContact O-N 3.39Å
463	Y	98.4	Very high	98.1	Very high	30 Å²	30	28.5 Å²	28.5	12%	0.118	14%	0.144	C	C	.	.	H	α-helix	trans	-65.6	-46.3	175.6	174.5	-91.1	0	0	0	111.6	Y249 L252 W363 W364 K371 E459 M460 E465 T466 M467	Y249-Y463 HydrophobicContact CD1-CD2 4.06Å; Y249-Y463 HydrophobicContact CD1-CE2 4.38Å; Y249-Y463 HydrophobicContact CD2-CD2 4.04Å; Y249-Y463 AromaticContact CE1-CD2 3.78Å; Y249-Y463 HydrophobicContact CE1-CD2 3.78Å; Y249-Y463 AromaticContact CE1-CE2 3.67Å; Y249-Y463 HydrophobicContact CE1-CE2 3.67Å; Y249-Y463 AromaticContact CE2-CD2 3.77Å; Y249-Y463 HydrophobicContact CE2-CD2 3.77Å; Y249-Y463 HydrophobicContact CE2-CE2 4.01Å; Y249-Y463 HydrophobicContact CE2-CG 4.47Å; Y249-Y463 HydrophobicContact CG-CD2 4.17Å; Y249-Y463 AromaticContact CZ-CD2 3.63Å; Y249-Y463 AromaticContact CZ-CE2 3.44Å; Y249-Y463 VanDerWaalsContact CZ-CE2 3.44Å; Y249-Y463 WeakPolarHBondContact OH-CE2 3.44Å; L252-Y463 HydrophobicContact CD2-CD2 4.43Å; W363-Y463 HydrophobicContact CH2-CE1 4.47Å; W364-Y463 HydrophobicContact CH2-CD1 4.17Å; W364-Y463 HydrophobicContact CH2-CD2 4.18Å; W364-Y463 AromaticContact CH2-CG 3.73Å; W364-Y463 HydrophobicContact CH2-CG 3.73Å; W364-Y463 AromaticContact CZ3-CD1 3.53Å; W364-Y463 HydrophobicContact CZ3-CD1 3.53Å; W364-Y463 HydrophobicContact CZ3-CD2 4.27Å; W364-Y463 HydrophobicContact CZ3-CE1 4.12Å; W364-Y463 AromaticContact CZ3-CG 3.59Å; W364-Y463 HydrophobicContact CZ3-CG 3.59Å; K371-Y463 PolarHBondContact NZ-OH 2.9Å; E459-Y463 WeakPolarHBondContact O-CB 3.28Å; E459-Y463 PolarHBondContact O-N 2.82Å; M460-Y463 PolarHBondContact O-N 3.09Å; Y463-E465 VanDerWaalsContact C-N 3.28Å; Y463-E465 PolarHBondContact O-N 3.4Å; Y463-T466 WeakPolarHBondContact O-CB 3.46Å; Y463-T466 PolarHBondContact O-N 3.41Å; Y463-T466 VanDerWaalsContact O-N 3.17Å; Y463-T466 PolarHBondContact O-OG1 2.95Å; Y463-M467 HydrophobicContact CD1-CE 4.24Å; Y463-M467 HydrophobicContact CE1-CE 3.33Å; Y463-M467 HydrophobicContact CE1-SD 4.13Å; Y463-M467 HydrophobicContact CE2-CE 4.1Å; Y463-M467 WeakPolarHBondContact OH-CE 3.47Å
464	L	98.3	Very high	98.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-30.9	179.1	-67.1	171	0	0	0	112.7	W363 M460 A461 T466 M467 N468 I469 L471 Q474	W363-L464 HydrophobicContact CH2-CD2 3.78Å; W363-L464 HydrophobicContact CZ3-CD2 4.29Å; M460-L464 HydrophobicContact CG-CD1 4.13Å; M460-L464 WeakPolarHBondContact O-CB 3.45Å; M460-L464 VanDerWaalsContact O-CG 3.22Å; M460-L464 WeakPolarHBondContact O-CG 3.36Å; M460-L464 PolarHBondContact O-N 3.41Å; A461-L464 PolarHBondContact O-N 3.04Å; L464-T466 PolarHBondContact O-N 3.05Å; L464-M467 CarbonylContact O-C 3.59Å; L464-M467 WeakPolarHBondContact O-CA 3.26Å; L464-M467 WeakPolarHBondContact O-CB 3.46Å; L464-M467 PolarHBondContact O-N 3.42Å; L464-N468 PolarHBondContact O-N 3.37Å; L464-I469 CarbonylContact C-O 3.57Å; L464-I469 HydrophobicContact CB-CG1 3.91Å; L464-I469 WeakPolarHBondContact CB-O 3.26Å; L464-I469 HydrophobicContact CD2-CD1 3.6Å; L464-I469 HydrophobicContact CD2-CG1 3.74Å; L464-I469 HydrophobicContact CG-CG1 4.37Å; L464-I469 PolarHBondContact O-N 3.03Å; L464-I469 VanDerWaalsContact O-N 3.15Å; L464-L471 HydrophobicContact CD1-CD2 3.73Å; L464-L471 HydrophobicContact CD1-CG 4.4Å; L464-Q474 HydrophobicContact CD1-CB 3.65Å; L464-Q474 HydrophobicContact CD1-CG 3.93Å; L464-Q474 HydrophobicContact CD2-CB 3.88Å; L464-Q474 HydrophobicContact CD2-CG 3.72Å; L464-Q474 HydrophobicContact CG-CB 4.43Å; L464-Q474 HydrophobicContact CG-CG 4.49Å
465	E	96.6	Very high	98.1	Very high	48 Å²	48	29.5 Å²	29.5	22%	0.224	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-34.9	173.5	-176.4	172.1	-113.1	0	0	112.3	T256 R326 A461 Y463 M467 N468	T256-E465 PolarHBondContact OG1-OE2 2.84Å; T256-E465 VanDerWaalsContact OG1-OE2 3.11Å; R326-E465 IonicContact NH1-OE1 3.22Å; R326-E465 IonicContact NH2-OE1 2.64Å; A461-E465 PolarHBondContact O-N 3.3Å; Y463-E465 VanDerWaalsContact C-N 3.28Å; Y463-E465 PolarHBondContact O-N 3.4Å; E465-M467 PolarHBondContact O-N 2.93Å; E465-M467 VanDerWaalsContact O-N 3.13Å; E465-N468 PolarHBondContact O-N 3.34Å
466	T	97	Very high	98.1	Very high	79 Å²	79	32.3 Å²	32.3	49%	0.485	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.9	175.6	73	0	0	0	0	113.6	L252 Y463 L464	L252-T466 HydrophobicContact CD1-CG2 3.46Å; L252-T466 VanDerWaalsContact CD1-CG2 3.46Å; L252-T466 HydrophobicContact CD2-CG2 3.75Å; L252-T466 HydrophobicContact CG-CG2 4.06Å; Y463-T466 WeakPolarHBondContact O-CB 3.46Å; Y463-T466 PolarHBondContact O-N 3.41Å; Y463-T466 VanDerWaalsContact O-N 3.17Å; Y463-T466 PolarHBondContact O-OG1 2.95Å; L464-T466 PolarHBondContact O-N 3.05Å
467	M	96.8	Very high	98.1	Very high	90 Å²	90	36.9 Å²	36.9	44%	0.443	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	5.6	177.8	-56.4	-176.8	-177.5	0	0	112.1	Y463 L464 E465 I469	Y463-M467 HydrophobicContact CD1-CE 4.24Å; Y463-M467 HydrophobicContact CE1-CE 3.33Å; Y463-M467 HydrophobicContact CE1-SD 4.13Å; Y463-M467 HydrophobicContact CE2-CE 4.1Å; Y463-M467 WeakPolarHBondContact OH-CE 3.47Å; L464-M467 CarbonylContact O-C 3.59Å; L464-M467 WeakPolarHBondContact O-CA 3.26Å; L464-M467 WeakPolarHBondContact O-CB 3.46Å; L464-M467 PolarHBondContact O-N 3.42Å; E465-M467 PolarHBondContact O-N 2.93Å; E465-M467 VanDerWaalsContact O-N 3.13Å; M467-I469 HydrophobicContact CB-CD1 4.19Å; M467-I469 HydrophobicContact CB-CG1 4.08Å; M467-I469 PolarHBondContact O-N 3.4Å; M467-I469 HydrophobicContact SD-CD1 4.41Å
468	N	96.2	Very high	98	Very high	149 Å²	149	36.8 Å²	36.8	80%	0.797	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	39.2	-173.2	-60.2	-56.7	0	0	0	113.1	L464 E465	L464-N468 PolarHBondContact O-N 3.37Å; E465-N468 PolarHBondContact O-N 3.34Å
469	I	97.3	Very high	98	Very high	19 Å²	19	37.7 Å²	37.7	10%	0.097	19%	0.189	C	C	.	.			trans	-124.5	148.5	174.1	65.5	-173.4	0	0	0	111.9	L464 M467 Q473 K477	L464-I469 CarbonylContact C-O 3.57Å; L464-I469 HydrophobicContact CB-CG1 3.91Å; L464-I469 WeakPolarHBondContact CB-O 3.26Å; L464-I469 HydrophobicContact CD2-CD1 3.6Å; L464-I469 HydrophobicContact CD2-CG1 3.74Å; L464-I469 HydrophobicContact CG-CG1 4.37Å; L464-I469 PolarHBondContact O-N 3.03Å; L464-I469 VanDerWaalsContact O-N 3.15Å; M467-I469 HydrophobicContact CB-CD1 4.19Å; M467-I469 HydrophobicContact CB-CG1 4.08Å; M467-I469 PolarHBondContact O-N 3.4Å; M467-I469 HydrophobicContact SD-CD1 4.41Å; I469-Q473 VanDerWaalsContact CA-OE1 3.23Å; I469-Q473 HydrophobicContact CB-CB 4.38Å; I469-K477 HydrophobicContact CD1-CD 4.44Å
470	T	97.9	Very high	98	Very high	14 Å²	14	42.8 Å²	42.8	9%	0.086	21%	0.213	C	C	.	.			trans	-89	166.6	178.4	71.7	0	0	0	0	111.8	E342 K472 Q473 Q474	E342-T470 WeakPolarHBondContact OE1-CB 3.43Å; E342-T470 WeakPolarHBondContact OE2-CB 3.49Å; T470-K472 VanDerWaalsContact C-N 3.29Å; T470-K472 PolarHBondContact O-N 3.34Å; T470-Q473 PolarHBondContact O-N 3.26Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.38Å; T470-Q473 PolarHBondContact OG1-N 3.28Å; T470-Q473 VanDerWaalsContact OG1-N 3.09Å; T470-Q474 WeakPolarHBondContact O-CB 3.36Å; T470-Q474 PolarHBondContact O-N 3.4Å
471	L	98.5	Very high	97.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-41.6	172.1	-71.7	169.1	0	0	0	110.9	I327 E342 F352 L360 V457 M460 A461 L464 Q474 L475	I327-L471 HydrophobicContact CD1-CD1 3.79Å; E342-L471 PolarHBondContact OE1-N 3.23Å; E342-L471 PolarHBondContact OE2-N 3.08Å; F352-L471 HydrophobicContact CE1-CB 4.38Å; F352-L471 HydrophobicContact CE2-CB 4.24Å; F352-L471 HydrophobicContact CE2-CD1 4.42Å; F352-L471 HydrophobicContact CZ-CB 3.66Å; L360-L471 HydrophobicContact CD1-CB 4.23Å; L360-L471 HydrophobicContact CD1-CD2 4.29Å; V457-L471 HydrophobicContact CG1-CD1 4.12Å; M460-L471 HydrophobicContact CB-CD2 4.39Å; M460-L471 HydrophobicContact CG-CD2 3.98Å; M460-L471 HydrophobicContact SD-CD2 3.76Å; A461-L471 HydrophobicContact CB-CD1 4.19Å; A461-L471 HydrophobicContact CB-CD2 4.4Å; A461-L471 HydrophobicContact CB-CG 4.24Å; L464-L471 HydrophobicContact CD1-CD2 3.73Å; L464-L471 HydrophobicContact CD1-CG 4.4Å; L471-Q474 PolarHBondContact O-N 3.02Å; L471-L475 WeakPolarHBondContact O-CB 3.42Å; L471-L475 PolarHBondContact O-N 3.27Å
472	K	98.1	Very high	97.9	Very high	87 Å²	87	47.2 Å²	47.2	38%	0.378	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-45.4	176.1	-176.1	-167.6	175.9	-173.9	0	111.7	E342 Q344 K350 F352 T470 Q474 L475 V476	E342-K472 PolarHBondContact OE2-N 3.29Å; Q344-K472 HydrophobicContact CG-CD 4.43Å; K350-K472 HydrophobicContact CG-CG 4.47Å; F352-K472 HydrophobicContact CE1-CB 4.49Å; F352-K472 HydrophobicContact CZ-CB 4.32Å; T470-K472 VanDerWaalsContact C-N 3.29Å; T470-K472 PolarHBondContact O-N 3.34Å; K472-Q474 VanDerWaalsContact C-N 3.31Å; K472-Q474 PolarHBondContact O-N 3.46Å; K472-L475 WeakPolarHBondContact O-CB 3.49Å; K472-L475 PolarHBondContact O-N 2.9Å; K472-V476 WeakPolarHBondContact O-CG2 3.47Å; K472-V476 PolarHBondContact O-N 2.87Å
473	Q	98.1	Very high	97.9	Very high	72 Å²	72	47.2 Å²	47.2	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-64.7	-38.6	177.8	-73.1	167.7	-16.3	0	0	111.3	I469 T470 L475 V476 K477	I469-Q473 VanDerWaalsContact CA-OE1 3.23Å; I469-Q473 HydrophobicContact CB-CB 4.38Å; T470-Q473 PolarHBondContact O-N 3.26Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.38Å; T470-Q473 PolarHBondContact OG1-N 3.28Å; T470-Q473 VanDerWaalsContact OG1-N 3.09Å; Q473-L475 VanDerWaalsContact C-N 3.35Å; Q473-V476 WeakPolarHBondContact O-CB 3.42Å; Q473-V476 PolarHBondContact O-N 3.26Å; Q473-K477 PolarHBondContact O-N 2.74Å
474	Q	98.7	Very high	97.9	Very high	16 Å²	16	46.6 Å²	46.6	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-38.2	174.3	-177.5	56	28.7	0	0	112.2	L360 W363 L464 T470 L471 K472 V476 K477 V478	L360-Q474 HydrophobicContact CD2-CB 4.15Å; L360-Q474 HydrophobicContact CD2-CG 3.97Å; W363-Q474 HydrophobicContact CD2-CG 4.38Å; W363-Q474 HydrophobicContact CE3-CG 3.91Å; W363-Q474 HydrophobicContact CH2-CG 3.94Å; W363-Q474 HydrophobicContact CZ2-CG 4.38Å; W363-Q474 VanDerWaalsContact CZ2-NE2 3.34Å; W363-Q474 HydrophobicContact CZ3-CG 3.67Å; L464-Q474 HydrophobicContact CD1-CB 3.65Å; L464-Q474 HydrophobicContact CD1-CG 3.93Å; L464-Q474 HydrophobicContact CD2-CB 3.88Å; L464-Q474 HydrophobicContact CD2-CG 3.72Å; L464-Q474 HydrophobicContact CG-CB 4.43Å; L464-Q474 HydrophobicContact CG-CG 4.49Å; T470-Q474 WeakPolarHBondContact O-CB 3.36Å; T470-Q474 PolarHBondContact O-N 3.4Å; L471-Q474 PolarHBondContact O-N 3.02Å; K472-Q474 VanDerWaalsContact C-N 3.31Å; K472-Q474 PolarHBondContact O-N 3.46Å; Q474-V476 VanDerWaalsContact C-N 3.31Å; Q474-V476 PolarHBondContact O-N 3.38Å; Q474-K477 WeakPolarHBondContact O-CB 3.47Å; Q474-K477 PolarHBondContact O-N 3.29Å; Q474-K477 VanDerWaalsContact O-N 3.15Å; Q474-V478 WeakPolarHBondContact O-CG2 3.28Å; Q474-V478 PolarHBondContact O-N 3.06Å
475	L	98.6	Very high	97.9	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-43	173.7	177.1	65.2	0	0	0	111.2	F352 E356 A359 L360 L471 K472 Q473 K477 V478 Y479	F352-L475 HydrophobicContact CD1-CD2 4.19Å; F352-L475 HydrophobicContact CE1-CD2 4.16Å; E356-L475 HydrophobicContact CB-CD1 4.38Å; E356-L475 HydrophobicContact CB-CD2 3.8Å; E356-L475 HydrophobicContact CG-CD2 3.82Å; A359-L475 HydrophobicContact CB-CD1 3.72Å; L360-L475 HydrophobicContact CD1-CB 4.46Å; L360-L475 HydrophobicContact CD2-CB 4.06Å; L360-L475 HydrophobicContact CG-CB 4.27Å; L360-L475 HydrophobicContact CG-CD1 4.28Å; L471-L475 WeakPolarHBondContact O-CB 3.42Å; L471-L475 PolarHBondContact O-N 3.27Å; K472-L475 WeakPolarHBondContact O-CB 3.49Å; K472-L475 PolarHBondContact O-N 2.9Å; Q473-L475 VanDerWaalsContact C-N 3.35Å; L475-K477 VanDerWaalsContact C-N 3.34Å; L475-K477 PolarHBondContact O-N 3.03Å; L475-V478 WeakPolarHBondContact O-CB 3.15Å; L475-V478 PolarHBondContact O-N 2.84Å; L475-Y479 HydrophobicContact CD1-CE1 4.03Å; L475-Y479 HydrophobicContact CD1-CE2 3.92Å; L475-Y479 HydrophobicContact CD2-CE2 4.21Å; L475-Y479 HydrophobicContact CG-CD2 4.31Å; L475-Y479 HydrophobicContact CG-CE2 3.79Å; L475-Y479 PolarHBondContact O-N 3.36Å
476	V	97.8	Very high	97.9	Very high	59 Å²	59	45.8 Å²	45.8	36%	0.358	23%	0.225	S	C	.	.	H	α-helix	trans	-59.2	-45.8	173.6	174	0	0	0	0	110.7	K472 Q473 Q474 V478 Y479 E480	K472-V476 WeakPolarHBondContact O-CG2 3.47Å; K472-V476 PolarHBondContact O-N 2.87Å; Q473-V476 WeakPolarHBondContact O-CB 3.42Å; Q473-V476 PolarHBondContact O-N 3.26Å; Q474-V476 VanDerWaalsContact C-N 3.31Å; Q474-V476 PolarHBondContact O-N 3.38Å; V476-V478 VanDerWaalsContact C-N 3.29Å; V476-V478 PolarHBondContact O-N 2.87Å; V476-Y479 CarbonylContact O-C 3.52Å; V476-Y479 PolarHBondContact O-N 3.15Å; V476-E480 HydrophobicContact CG1-CG 4.21Å; V476-E480 WeakPolarHBondContact O-CG 3.44Å; V476-E480 PolarHBondContact O-N 2.68Å
477	K	98.4	Very high	97.8	Very high	95 Å²	95	43.3 Å²	43.3	41%	0.413	21%	0.211	S	C	.	.	H	α-helix	trans	-61.4	-34.9	175.5	-69.8	-179.5	178.6	-178.4	0	113.3	I469 Q473 Q474 L475 K481	I469-K477 HydrophobicContact CD1-CD 4.44Å; Q473-K477 PolarHBondContact O-N 2.74Å; Q474-K477 WeakPolarHBondContact O-CB 3.47Å; Q474-K477 PolarHBondContact O-N 3.29Å; Q474-K477 VanDerWaalsContact O-N 3.15Å; L475-K477 VanDerWaalsContact C-N 3.34Å; L475-K477 PolarHBondContact O-N 3.03Å; K477-K481 VanDerWaalsContact O-CB 3.3Å; K477-K481 WeakPolarHBondContact O-CB 3.27Å; K477-K481 PolarHBondContact O-N 2.97Å
478	V	98.6	Very high	97.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-45.6	172.9	170.2	0	0	0	0	109.3	A359 W363 I393 Q474 L475 V476 K481 Y482	A359-V478 HydrophobicContact CB-CG1 4.23Å; W363-V478 HydrophobicContact CB-CG2 3.72Å; W363-V478 HydrophobicContact CD2-CG2 4.31Å; W363-V478 HydrophobicContact CG-CG2 3.78Å; I393-V478 HydrophobicContact CD1-CG1 4.35Å; Q474-V478 WeakPolarHBondContact O-CG2 3.28Å; Q474-V478 PolarHBondContact O-N 3.06Å; L475-V478 WeakPolarHBondContact O-CB 3.15Å; L475-V478 PolarHBondContact O-N 2.84Å; V476-V478 VanDerWaalsContact C-N 3.29Å; V476-V478 PolarHBondContact O-N 2.87Å; V478-K481 PolarHBondContact O-N 3.04Å; V478-Y482 HydrophobicContact CB-CD2 4.48Å; V478-Y482 HydrophobicContact CG1-CD2 3.82Å; V478-Y482 HydrophobicContact CG1-CE2 4.3Å; V478-Y482 WeakPolarHBondContact O-CD2 3.27Å; V478-Y482 PolarHBondContact O-N 3.47Å
479	Y	98.3	Very high	97.6	Very high	20 Å²	20	39.7 Å²	39.7	8%	0.078	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-43.9	177.4	-64.9	-29	0	0	0	113.8	A359 I393 L475 V476 K481 Y482 G483 Y484 H485	A359-Y479 HydrophobicContact CB-CE1 4.35Å; I393-Y479 HydrophobicContact CD1-CD1 4.16Å; I393-Y479 HydrophobicContact CD1-CE1 4.18Å; L475-Y479 HydrophobicContact CD1-CE1 4.03Å; L475-Y479 HydrophobicContact CD1-CE2 3.92Å; L475-Y479 HydrophobicContact CD2-CE2 4.21Å; L475-Y479 HydrophobicContact CG-CD2 4.31Å; L475-Y479 HydrophobicContact CG-CE2 3.79Å; L475-Y479 PolarHBondContact O-N 3.36Å; V476-Y479 CarbonylContact O-C 3.52Å; V476-Y479 PolarHBondContact O-N 3.15Å; Y479-K481 PolarHBondContact O-N 3.06Å; Y479-K481 VanDerWaalsContact O-N 3.16Å; Y479-Y482 PolarHBondContact O-N 3.09Å; Y479-G483 VanDerWaalsContact CA-O 3.28Å; Y479-G483 WeakPolarHBondContact CA-O 3.25Å; Y479-G483 VanDerWaalsContact CD1-O 3.3Å; Y479-G483 WeakPolarHBondContact CD1-O 3.23Å; Y479-G483 CarbonylContact O-C 3.54Å; Y479-G483 VanDerWaalsContact O-C 3.31Å; Y479-G483 VanDerWaalsContact O-CA 3.3Å; Y479-G483 WeakPolarHBondContact O-CA 3.41Å; Y479-G483 PolarHBondContact O-N 2.64Å; Y479-Y484 HydrophobicContact CD2-CD1 4.07Å; Y479-Y484 HydrophobicContact CG-CD1 4.1Å; Y479-H485 HydrophobicContact CE1-CB 4.06Å; Y479-H485 PolarHBondContact OH-O 2.93Å
480	E	98.1	Very high	97.4	Very high	106 Å²	106	39 Å²	39	50%	0.495	19%	0.188	S	C	.	.	H	α-helix	trans	-57.4	-31.1	173.3	-71.5	172.1	169.3	0	0	112	V476 Y484 P586	V476-E480 HydrophobicContact CG1-CG 4.21Å; V476-E480 WeakPolarHBondContact O-CG 3.44Å; V476-E480 PolarHBondContact O-N 2.68Å; E480-Y484 WeakPolarHBondContact CG-OH 3.46Å; E480-P586 WeakPolarHBondContact O-CB 3.48Å
481	K	98.3	Very high	97.1	Very high	80 Å²	80	41.2 Å²	41.2	35%	0.348	20%	0.195	S	C	.	.	H	α-helix	trans	-84.8	-43.4	179.4	-172.6	174.6	174.4	-159	0	112.9	K400 E401 K477 V478 Y479	K400-K481 HydrophobicContact CD-CG 4.38Å; K400-K481 WeakPolarHBondContact CD-O 3.23Å; K400-K481 PolarHBondContact NZ-O 3.14Å; E401-K481 WeakPolarHBondContact OE1-CE 3.45Å; E401-K481 IonicContact OE1-NZ 3.82Å; E401-K481 PolarHBondContact OE1-NZ 3.04Å; K477-K481 VanDerWaalsContact O-CB 3.3Å; K477-K481 WeakPolarHBondContact O-CB 3.27Å; K477-K481 PolarHBondContact O-N 2.97Å; V478-K481 PolarHBondContact O-N 3.04Å; Y479-K481 PolarHBondContact O-N 3.06Å; Y479-K481 VanDerWaalsContact O-N 3.16Å
482	Y	98.3	Very high	97	Very high	17 Å²	17	41.4 Å²	41.4	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-111.4	-16.2	-166.9	-57.1	-69.8	0	0	0	114.3	I397 K400 E401 V478 Y479	I397-Y482 HydrophobicContact CB-CD1 4.29Å; I397-Y482 HydrophobicContact CB-CE1 4.41Å; I397-Y482 HydrophobicContact CB-CG 4.42Å; I397-Y482 HydrophobicContact CD1-CD2 4.42Å; I397-Y482 HydrophobicContact CG1-CD1 4.12Å; I397-Y482 HydrophobicContact CG1-CD2 3.72Å; I397-Y482 HydrophobicContact CG1-CE1 4.44Å; I397-Y482 HydrophobicContact CG1-CE2 4.03Å; I397-Y482 HydrophobicContact CG1-CG 3.75Å; I397-Y482 HydrophobicContact CG2-CD1 4.39Å; I397-Y482 HydrophobicContact CG2-CE1 4.01Å; I397-Y482 HydrophobicContact CG2-CE2 4.35Å; K400-Y482 HydrophobicContact CB-CD1 3.84Å; K400-Y482 HydrophobicContact CB-CE1 4.04Å; K400-Y482 HydrophobicContact CD-CD1 3.71Å; K400-Y482 HydrophobicContact CD-CE1 3.98Å; K400-Y482 HydrophobicContact CG-CD1 4.16Å; K400-Y482 HydrophobicContact CG-CE1 4.16Å; E401-Y482 HydrophobicContact CG-CE1 3.85Å; E401-Y482 WeakPolarHBondContact OE1-CE1 3.05Å; E401-Y482 PolarHBondContact OE1-OH 2.93Å; V478-Y482 HydrophobicContact CB-CD2 4.48Å; V478-Y482 HydrophobicContact CG1-CD2 3.82Å; V478-Y482 HydrophobicContact CG1-CE2 4.3Å; V478-Y482 WeakPolarHBondContact O-CD2 3.27Å; V478-Y482 PolarHBondContact O-N 3.47Å; Y479-Y482 PolarHBondContact O-N 3.09Å
483	G	97.8	Very high	96.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	19%	0.185	C	C	.	.			trans	119.9	156.8	-174.1	0	0	0	0	0	111.5	Y479 H485 A584	Y479-G483 VanDerWaalsContact CA-O 3.28Å; Y479-G483 WeakPolarHBondContact CA-O 3.25Å; Y479-G483 VanDerWaalsContact CD1-O 3.3Å; Y479-G483 WeakPolarHBondContact CD1-O 3.23Å; Y479-G483 CarbonylContact O-C 3.54Å; Y479-G483 VanDerWaalsContact O-C 3.31Å; Y479-G483 VanDerWaalsContact O-CA 3.3Å; Y479-G483 WeakPolarHBondContact O-CA 3.41Å; Y479-G483 PolarHBondContact O-N 2.64Å; G483-H485 PolarHBondContact O-CD2 2.92Å; G483-A584 CarbonylContact C-O 3.54Å; G483-A584 WeakPolarHBondContact CA-O 3.48Å
484	Y	97.9	Very high	96.5	Very high	17 Å²	17	35.5 Å²	35.5	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.8	-179.3	-68.1	-97.5	0	0	0	110.4	Y479 E480 A584 S589 T591 L594	Y479-Y484 HydrophobicContact CD2-CD1 4.07Å; Y479-Y484 HydrophobicContact CG-CD1 4.1Å; E480-Y484 WeakPolarHBondContact CG-OH 3.46Å; Y484-A584 PolarHBondContact N-O 3.3Å; Y484-A584 PolarHBondContact O-N 2.94Å; Y484-S589 WeakPolarHBondContact OH-CB 3.43Å; Y484-T591 HydrophobicContact CD1-CG2 3.65Å; Y484-T591 HydrophobicContact CE1-CG2 3.8Å; Y484-L594 HydrophobicContact CG-CD1 4.28Å
485	H	97.8	Very high	96.1	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	99.6	-177.1	-76	-94.6	0	0	0	109.9	K392 I393 Y479 G483 E581 M582	K392-H485 VanDerWaalsContact C-CE1 3.41Å; I393-H485 HydrophobicContact CB-CB 4.26Å; I393-H485 WeakPolarHBondContact CD1-CD2 3.22Å; I393-H485 PolarHBondContact N-CE1 3.45Å; I393-H485 PolarHBondContact N-ND1 3.34Å; Y479-H485 HydrophobicContact CE1-CB 4.06Å; Y479-H485 PolarHBondContact OH-O 2.93Å; G483-H485 PolarHBondContact O-CD2 2.92Å; H485-E581 WeakPolarHBondContact CB-OE1 3.37Å; H485-E581 IonicContact CE1-OE1 3.28Å; H485-E581 IonicContact CG-OE1 2.83Å; H485-E581 IonicContact ND1-OE1 3.51Å; H485-E581 PolarHBondContact ND1-OE1 2.8Å; H485-M582 WeakPolarHBondContact CA-O 3.34Å
486	I	96.8	Very high	95.7	Very high	20 Å²	20	46.8 Å²	46.8	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.1	-177.1	-51.8	-173.3	0	0	0	108	E581 M582 L594 E595 L598	I486-E581 CarbonylContact O-C 3.59Å; I486-E581 WeakPolarHBondContact O-CA 3.32Å; I486-M582 HydrophobicContact CB-CB 4.45Å; I486-M582 PolarHBondContact N-O 2.98Å; I486-M582 PolarHBondContact O-N 3.47Å; I486-L594 HydrophobicContact CD1-CB 3.6Å; I486-L594 HydrophobicContact CD1-CD1 4.21Å; I486-E595 HydrophobicContact CD1-CG 3.83Å; I486-E595 HydrophobicContact CG2-CG 3.78Å; I486-L598 HydrophobicContact CB-CD2 4.3Å; I486-L598 HydrophobicContact CG2-CD2 3.97Å; I486-L598 WeakPolarHBondContact O-CD2 3.37Å
487	S	95.9	Very high	95.2	Very high	27 Å²	27	48.4 Å²	48.4	19%	0.189	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143	-174.7	-60.4	0	0	0	0	112.3	N355 A580	N355-S487 VanDerWaalsContact ND2-CB 3.28Å; N355-S487 WeakPolarHBondContact ND2-CB 3.34Å; N355-S487 PolarHBondContact ND2-OG 3.46Å; S487-A580 CarbonylContact C-O 3.54Å; S487-A580 WeakPolarHBondContact CA-O 3.41Å
488	K	95.2	Very high	95	Very high	108 Å²	108	48.1 Å²	48.1	47%	0.47	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.8	169.3	-62.4	-68.3	-178.9	-175.6	0	109.8	A580 L598 I602	K488-A580 PolarHBondContact N-O 3.13Å; K488-A580 PolarHBondContact O-N 3.47Å; K488-L598 HydrophobicContact CB-CD2 4.48Å; K488-L598 HydrophobicContact CG-CD2 3.91Å; K488-I602 HydrophobicContact CB-CD1 3.61Å; K488-I602 HydrophobicContact CG-CD1 4.03Å
489	T	93.1	Very high	94.8	Very high	55 Å²	55	49.7 Å²	49.7	34%	0.337	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.7	179.1	65.8	0	0	0	0	109.7	Y578 Y579 R620	T489-Y578 WeakPolarHBondContact CA-O 3.25Å; T489-Y579 HydrophobicContact CG2-CD1 3.44Å; T489-Y579 VanDerWaalsContact CG2-CD1 3.44Å; T489-Y579 HydrophobicContact CG2-CE1 4.15Å; T489-Y579 HydrophobicContact CG2-CG 4.12Å; T489-R620 PolarHBondContact O-NH1 3.2Å
490	S	92.6	Very high	94.6	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.042	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-176.4	172.9	-164.2	0	0	0	0	110.1	K577 Y578 R620	S490-K577 WeakPolarHBondContact O-CA 3.23Å; S490-Y578 WeakPolarHBondContact CB-OH 3.29Å; S490-Y578 PolarHBondContact N-O 2.91Å; S490-Y578 VanDerWaalsContact N-O 3.1Å; S490-Y578 PolarHBondContact O-N 3.41Å; S490-R620 VanDerWaalsContact OG-CD 3.25Å; S490-R620 WeakPolarHBondContact OG-CD 3.31Å; S490-R620 VanDerWaalsContact OG-CZ 3.23Å; S490-R620 PolarHBondContact OG-NE 3.34Å; S490-R620 VanDerWaalsContact OG-NE 3.1Å
491	Y	93.1	Very high	94.3	Very high	60 Å²	60	50.3 Å²	50.3	24%	0.235	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	160.6	-179.6	65.2	-91.1	0	0	0	112.6	L493 K575 I576 R620	Y491-L493 HydrophobicContact CE2-CD2 4.45Å; Y491-K575 HydrophobicContact CD2-CB 4.41Å; Y491-K575 HydrophobicContact CD2-CD 3.78Å; Y491-K575 HydrophobicContact CD2-CG 3.86Å; Y491-K575 HydrophobicContact CE2-CD 3.93Å; Y491-K575 HydrophobicContact CE2-CG 4.27Å; Y491-K575 HydrophobicContact CG-CD 4.22Å; Y491-I576 CarbonylContact C-O 3.59Å; Y491-I576 WeakPolarHBondContact CA-O 3.27Å; Y491-I576 WeakPolarHBondContact CB-O 3.42Å; Y491-R620 HydrophobicContact CD1-CB 4.42Å; Y491-R620 HydrophobicContact CD2-CB 4.02Å; Y491-R620 HydrophobicContact CE1-CB 3.98Å; Y491-R620 HydrophobicContact CE1-CG 4.47Å; Y491-R620 HydrophobicContact CE2-CB 3.53Å; Y491-R620 HydrophobicContact CG-CB 4.43Å; Y491-R620 VanDerWaalsContact CZ-CB 3.5Å; Y491-R620 PolarHBondContact O-N 3.49Å
492	F	95	Very high	94.2	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.1	167.4	-69.7	-96.9	0	0	0	110.1	K575 I576 Y578 I606 L610 P612 L617 I618 W619	F492-K575 CarbonylContact O-C 3.59Å; F492-K575 VanDerWaalsContact O-CA 3.25Å; F492-K575 WeakPolarHBondContact O-CA 3.33Å; F492-I576 PolarHBondContact N-O 2.75Å; F492-I576 PolarHBondContact O-N 3.41Å; F492-Y578 HydrophobicContact CE2-CD1 4.37Å; F492-Y578 HydrophobicContact CE2-CE1 4.18Å; F492-I606 HydrophobicContact CE2-CG1 4.15Å; F492-I606 HydrophobicContact CE2-CG2 4.48Å; F492-I606 HydrophobicContact CZ-CG1 4.21Å; F492-I606 HydrophobicContact CZ-CG2 3.82Å; F492-L610 HydrophobicContact CD2-CD1 3.7Å; F492-L610 HydrophobicContact CE2-CD1 3.5Å; F492-L610 HydrophobicContact CZ-CD1 4.48Å; F492-P612 HydrophobicContact CD1-CB 4.34Å; F492-P612 HydrophobicContact CD1-CG 4.25Å; F492-P612 HydrophobicContact CE1-CB 3.7Å; F492-P612 HydrophobicContact CE1-CG 3.35Å; F492-P612 HydrophobicContact CE2-CG 4.46Å; F492-P612 HydrophobicContact CZ-CB 4.32Å; F492-P612 HydrophobicContact CZ-CG 3.47Å; F492-P612 VanDerWaalsContact CZ-CG 3.47Å; F492-L617 HydrophobicContact CB-CB 4.02Å; F492-L617 HydrophobicContact CB-CD1 4.44Å; F492-L617 HydrophobicContact CD1-CB 3.67Å; F492-L617 HydrophobicContact CD1-CD1 4.5Å; F492-L617 HydrophobicContact CE1-CB 4.4Å; F492-L617 HydrophobicContact CG-CB 4.09Å; F492-L617 HydrophobicContact CG-CD1 4.35Å; F492-I618 CarbonylContact C-O 3.58Å; F492-I618 VanDerWaalsContact CA-O 3.31Å; F492-I618 WeakPolarHBondContact CA-O 3.22Å; F492-W619 HydrophobicContact CD1-CE3 4.09Å; F492-W619 HydrophobicContact CE1-CD2 4.34Å; F492-W619 AromaticContact CE1-CE3 3.3Å; F492-W619 HydrophobicContact CE1-CE3 3.3Å; F492-W619 AromaticContact CE1-CZ3 3.87Å; F492-W619 HydrophobicContact CE1-CZ3 3.87Å; F492-W619 AromaticContact CE2-CE3 3.9Å; F492-W619 HydrophobicContact CE2-CE3 3.9Å; F492-W619 AromaticContact CE2-CZ3 3.65Å; F492-W619 HydrophobicContact CE2-CZ3 3.65Å; F492-W619 HydrophobicContact CZ-CD2 4.47Å; F492-W619 AromaticContact CZ-CE3 3.2Å; F492-W619 HydrophobicContact CZ-CE3 3.2Å; F492-W619 AromaticContact CZ-CZ3 3.22Å; F492-W619 HydrophobicContact CZ-CZ3 3.22Å
493	L	93.6	Very high	94.2	Very high	30 Å²	30	48.8 Å²	48.8	16%	0.157	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.6	167.5	-61.8	163	0	0	0	109.7	Y491 Y495 P574 K575 I618	Y491-L493 HydrophobicContact CE2-CD2 4.45Å; L493-Y495 HydrophobicContact CB-CE2 4.03Å; L493-P574 CarbonylContact C-O 3.54Å; L493-P574 WeakPolarHBondContact CA-O 3.35Å; L493-K575 HydrophobicContact CD2-CG 3.82Å; L493-I618 HydrophobicContact CB-CB 4.22Å; L493-I618 PolarHBondContact N-O 3.19Å; L493-I618 PolarHBondContact O-N 3.35Å
494	C	93.1	Very high	94.1	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.034	25%	0.252	C	S	.	.			trans	-143.1	103.4	174.8	-171.2	0	0	0	0	108.8	E496 I500 P574 I576 L617	C494-E496 VanDerWaalsContact C-N 3.28Å; C494-I500 HydrophobicContact CB-CD1 4.16Å; C494-I500 HydrophobicContact CB-CG1 3.94Å; C494-P574 PolarHBondContact N-O 3.34Å; C494-P574 VanDerWaalsContact O-CB 3.29Å; C494-P574 WeakPolarHBondContact O-CB 3.39Å; C494-I576 HydrophobicContact CB-CD1 4.17Å; C494-I576 HydrophobicContact CB-CG1 4.32Å; C494-L617 HydrophobicContact CB-CD2 3.71Å
495	Y	89.6	Confident	94.1	Very high	142 Å²	142	52.1 Å²	52.1	56%	0.557	27%	0.268	S	S	*	.			trans	-83.1	-5.1	-177.6	-63.1	-81.1	0	0	0	113.6	L493 P497 P574 I618	L493-Y495 HydrophobicContact CB-CE2 4.03Å; Y495-P497 VanDerWaalsContact O-CD 3.27Å; Y495-P497 WeakPolarHBondContact O-CD 3.29Å; Y495-P574 HydrophobicContact CD1-CB 3.91Å; Y495-P574 HydrophobicContact CD1-CG 3.66Å; Y495-P574 HydrophobicContact CE1-CB 4.22Å; Y495-P574 HydrophobicContact CE1-CG 3.49Å; Y495-P574 VanDerWaalsContact CE1-CG 3.49Å; Y495-P574 HydrophobicContact CG-CB 4.5Å; Y495-I618 HydrophobicContact CD2-CD1 4.48Å; Y495-I618 HydrophobicContact CE2-CD1 4.19Å
496	E	90.1	Very high	94	Very high	117 Å²	117	54.4 Å²	54.4	55%	0.547	28%	0.276	S	S	.	.			trans	-106.3	97.5	-178.3	-65	-57.4	136.4	0	0	110.6	C494 P498 T499 I500	C494-E496 VanDerWaalsContact C-N 3.28Å; E496-P498 VanDerWaalsContact C-N 3.3Å; E496-T499 WeakPolarHBondContact CB-OG1 3.09Å; E496-T499 VanDerWaalsContact O-CB 3.3Å; E496-T499 WeakPolarHBondContact O-CB 3.49Å; E496-T499 PolarHBondContact O-N 3.25Å; E496-I500 PolarHBondContact O-N 2.81Å
497	P	88.3	Confident	94.1	Very high	93 Å²	93	53.4 Å²	53.4	60%	0.604	27%	0.271	S	S	*	.	H	α-helix	trans	-52.8	-37	177.5	-24.8	32.6	0	0	0	115.1	Y495 T499 I500 K501	Y495-P497 VanDerWaalsContact O-CD 3.27Å; Y495-P497 WeakPolarHBondContact O-CD 3.29Å; P497-T499 VanDerWaalsContact C-N 3.26Å; P497-T499 PolarHBondContact O-N 3.36Å; P497-I500 PolarHBondContact O-N 3.09Å; P497-K501 PolarHBondContact O-N 3.33Å
498	P	93.1	Very high	94.2	Very high	89 Å²	89	53.4 Å²	53.4	58%	0.578	27%	0.267	S	S	*	.	H	α-helix	trans	-59.8	-34.9	174.8	-25.6	36.1	0	0	0	113.4	E496 K501 S502	E496-P498 VanDerWaalsContact C-N 3.3Å; P498-K501 PolarHBondContact O-N 3.24Å; P498-S502 WeakPolarHBondContact O-CB 3.42Å; P498-S502 PolarHBondContact O-N 2.99Å
499	T	94.9	Very high	94.3	Very high	34 Å²	34	51.8 Å²	51.8	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-45.8	177.3	-60.2	0	0	0	0	111.1	E496 P497 K501 S502 I503 N615	E496-T499 WeakPolarHBondContact CB-OG1 3.09Å; E496-T499 VanDerWaalsContact O-CB 3.3Å; E496-T499 WeakPolarHBondContact O-CB 3.49Å; E496-T499 PolarHBondContact O-N 3.25Å; P497-T499 VanDerWaalsContact C-N 3.26Å; P497-T499 PolarHBondContact O-N 3.36Å; T499-K501 VanDerWaalsContact C-N 3.31Å; T499-K501 PolarHBondContact O-N 3.28Å; T499-S502 PolarHBondContact O-N 3.46Å; T499-I503 HydrophobicContact CG2-CD1 4.14Å; T499-I503 WeakPolarHBondContact O-CG1 3.38Å; T499-I503 PolarHBondContact O-N 3.06Å; T499-N615 HydrophobicContact CG2-CB 3.86Å; T499-N615 WeakPolarHBondContact CG2-O 3.37Å
500	I	93.2	Very high	94.4	Very high	25 Å²	25	52.2 Å²	52.2	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-55.8	-49.8	174.2	-63.9	177.3	0	0	0	109.9	C494 E496 P497 S502 I503 F504 Q553 T569 I576	C494-I500 HydrophobicContact CB-CD1 4.16Å; C494-I500 HydrophobicContact CB-CG1 3.94Å; E496-I500 PolarHBondContact O-N 2.81Å; P497-I500 PolarHBondContact O-N 3.09Å; I500-S502 VanDerWaalsContact C-N 3.33Å; I500-S502 PolarHBondContact O-N 3.31Å; I500-I503 PolarHBondContact O-N 2.82Å; I500-F504 HydrophobicContact CG2-CD2 4.13Å; I500-F504 HydrophobicContact CG2-CE2 4.25Å; I500-F504 WeakPolarHBondContact O-CD2 3.43Å; I500-F504 PolarHBondContact O-N 2.93Å; I500-Q553 HydrophobicContact CG2-CG 4.18Å; I500-T569 HydrophobicContact CD1-CG2 4.45Å; I500-T569 HydrophobicContact CG2-CG2 3.37Å; I500-I576 HydrophobicContact CD1-CG1 4.47Å; I500-I576 HydrophobicContact CG1-CD1 4.08Å; I500-I576 HydrophobicContact CG1-CG1 4.2Å
501	K	93.1	Very high	94.3	Very high	114 Å²	114	57 Å²	57	50%	0.496	29%	0.286	S	S	.	.	H	α-helix	trans	-57.2	-47.9	179.2	-177.9	177.9	171.7	-176.9	0	111.1	P497 P498 T499 I503 F504 E505	P497-K501 PolarHBondContact O-N 3.33Å; P498-K501 PolarHBondContact O-N 3.24Å; T499-K501 VanDerWaalsContact C-N 3.31Å; T499-K501 PolarHBondContact O-N 3.28Å; K501-I503 PolarHBondContact O-N 3.48Å; K501-F504 PolarHBondContact O-N 2.69Å; K501-E505 VanDerWaalsContact CE-CD 3.49Å; K501-E505 WeakPolarHBondContact CE-OE1 3.18Å; K501-E505 HydrophobicContact CG-CG 4.22Å; K501-E505 IonicContact NZ-OE1 3.88Å; K501-E505 VanDerWaalsContact O-CB 3.32Å; K501-E505 WeakPolarHBondContact O-CB 3.29Å; K501-E505 VanDerWaalsContact O-CG 3.31Å; K501-E505 WeakPolarHBondContact O-CG 3.17Å; K501-E505 PolarHBondContact O-N 3.26Å
502	S	96.1	Very high	94.4	Very high	66 Å²	66	56.8 Å²	56.8	46%	0.462	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-44.1	178.1	179.9	0	0	0	0	113	P498 T499 I500 F504 E505 R506	P498-S502 WeakPolarHBondContact O-CB 3.42Å; P498-S502 PolarHBondContact O-N 2.99Å; T499-S502 PolarHBondContact O-N 3.46Å; I500-S502 VanDerWaalsContact C-N 3.33Å; I500-S502 PolarHBondContact O-N 3.31Å; S502-F504 PolarHBondContact O-N 3.49Å; S502-E505 PolarHBondContact O-N 2.87Å; S502-R506 WeakPolarHBondContact O-CB 3.32Å; S502-R506 PolarHBondContact O-N 3.46Å
503	I	97.1	Very high	94.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.3	-52.8	177.4	-69.6	165.8	0	0	0	110.7	T499 I500 K501 R506 L507 I576 N615 L617	T499-I503 HydrophobicContact CG2-CD1 4.14Å; T499-I503 WeakPolarHBondContact O-CG1 3.38Å; T499-I503 PolarHBondContact O-N 3.06Å; I500-I503 PolarHBondContact O-N 2.82Å; K501-I503 PolarHBondContact O-N 3.48Å; I503-R506 PolarHBondContact O-N 3.42Å; I503-L507 WeakPolarHBondContact O-CG 3.14Å; I503-L507 PolarHBondContact O-N 2.63Å; I503-L507 VanDerWaalsContact O-N 3.15Å; I503-I576 HydrophobicContact CD1-CD1 3.88Å; I503-N615 HydrophobicContact CD1-CB 3.95Å; I503-N615 HydrophobicContact CG1-CB 4.37Å; I503-N615 WeakPolarHBondContact CG1-ND2 3.42Å; I503-L617 HydrophobicContact CD1-CD1 4.19Å; I503-L617 HydrophobicContact CD1-CD2 4.08Å
504	F	97.1	Very high	94.2	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-73.4	-33.2	-176.5	-78.5	-94.7	0	0	0	112.5	I500 K501 S502 R506 L507 R508 Q553 I555 L567 T569 I576	I500-F504 HydrophobicContact CG2-CD2 4.13Å; I500-F504 HydrophobicContact CG2-CE2 4.25Å; I500-F504 WeakPolarHBondContact O-CD2 3.43Å; I500-F504 PolarHBondContact O-N 2.93Å; K501-F504 PolarHBondContact O-N 2.69Å; S502-F504 PolarHBondContact O-N 3.49Å; F504-R506 VanDerWaalsContact C-N 3.35Å; F504-L507 PolarHBondContact O-N 3.5Å; F504-R508 WeakPolarHBondContact O-CG 3.31Å; F504-R508 PolarHBondContact O-N 3.16Å; F504-R508 VanDerWaalsContact O-N 3.13Å; F504-Q553 HydrophobicContact CB-CG 4.4Å; F504-Q553 VanDerWaalsContact CB-OE1 3.27Å; F504-Q553 HydrophobicContact CD1-CB 3.7Å; F504-Q553 HydrophobicContact CD1-CG 4.36Å; F504-Q553 HydrophobicContact CD2-CB 3.75Å; F504-Q553 HydrophobicContact CD2-CG 3.87Å; F504-Q553 HydrophobicContact CE1-CB 3.61Å; F504-Q553 HydrophobicContact CE2-CB 3.65Å; F504-Q553 HydrophobicContact CE2-CG 4.18Å; F504-Q553 HydrophobicContact CG-CB 3.77Å; F504-Q553 HydrophobicContact CG-CG 3.97Å; F504-Q553 HydrophobicContact CZ-CB 3.58Å; F504-I555 HydrophobicContact CD1-CD1 3.63Å; F504-I555 HydrophobicContact CD1-CG1 3.92Å; F504-I555 HydrophobicContact CE1-CD1 4.22Å; F504-I555 HydrophobicContact CE1-CG1 4.12Å; F504-L567 HydrophobicContact CE1-CB 4.15Å; F504-L567 HydrophobicContact CZ-CB 4.09Å; F504-T569 HydrophobicContact CE2-CG2 3.97Å; F504-T569 HydrophobicContact CZ-CG2 4.43Å; F504-I576 HydrophobicContact CE2-CG2 4.36Å
505	E	96.6	Very high	94.3	Very high	87 Å²	87	72.1 Å²	72.1	41%	0.407	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-39.2	172.5	-77.8	179	163.6	0	0	112.1	K501 S502 R508 N509	K501-E505 VanDerWaalsContact CE-CD 3.49Å; K501-E505 WeakPolarHBondContact CE-OE1 3.18Å; K501-E505 HydrophobicContact CG-CG 4.22Å; K501-E505 IonicContact NZ-OE1 3.88Å; K501-E505 VanDerWaalsContact O-CB 3.32Å; K501-E505 WeakPolarHBondContact O-CB 3.29Å; K501-E505 VanDerWaalsContact O-CG 3.31Å; K501-E505 WeakPolarHBondContact O-CG 3.17Å; K501-E505 PolarHBondContact O-N 3.26Å; S502-E505 PolarHBondContact O-N 2.87Å; E505-R508 PolarHBondContact O-N 2.95Å; E505-N509 PolarHBondContact O-N 3.36Å; E505-N509 VanDerWaalsContact O-N 3.14Å; E505-N509 PolarHBondContact O-ND2 2.89Å
506	R	97.6	Very high	94.7	Very high	60 Å²	60	66.4 Å²	66.4	23%	0.226	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-43.9	172.1	-179.5	179.3	62.2	95.7	-3.3	111.6	S502 I503 F504 R508 N509 F510 N608 F609	S502-R506 WeakPolarHBondContact O-CB 3.32Å; S502-R506 PolarHBondContact O-N 3.46Å; I503-R506 PolarHBondContact O-N 3.42Å; F504-R506 VanDerWaalsContact C-N 3.35Å; R506-R508 PolarHBondContact O-N 3.46Å; R506-N509 CarbonylContact O-C 3.21Å; R506-N509 PolarHBondContact O-N 3.1Å; R506-N509 VanDerWaalsContact O-N 3.13Å; R506-F510 VanDerWaalsContact O-CA 3.26Å; R506-F510 WeakPolarHBondContact O-CA 3.46Å; R506-F510 PolarHBondContact O-N 3.31Å; R506-F510 VanDerWaalsContact O-N 3.15Å; R506-N608 PolarHBondContact NH1-O 3.28Å; R506-N608 VanDerWaalsContact NH1-O 3.12Å; R506-N608 PolarHBondContact NH2-O 3.1Å; R506-F609 PolarHBondContact NH2-O 3.15Å
507	L	97.8	Very high	95	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-27.6	177.7	-67.7	174.9	0	0	0	113.3	I503 F504 F510 Y516 P517 I555 F557 L567 F609	I503-L507 WeakPolarHBondContact O-CG 3.14Å; I503-L507 PolarHBondContact O-N 2.63Å; I503-L507 VanDerWaalsContact O-N 3.15Å; F504-L507 PolarHBondContact O-N 3.5Å; L507-F510 HydrophobicContact CD2-CD2 4.22Å; L507-F510 HydrophobicContact CD2-CE2 4.22Å; L507-Y516 WeakPolarHBondContact O-CA 3.43Å; L507-Y516 VanDerWaalsContact O-CD1 3.29Å; L507-Y516 WeakPolarHBondContact O-CD1 3.38Å; L507-P517 HydrophobicContact CD2-CG 4.45Å; L507-P517 VanDerWaalsContact O-CD 3.25Å; L507-P517 WeakPolarHBondContact O-CD 3.49Å; L507-I555 HydrophobicContact CB-CD1 4.03Å; L507-I555 HydrophobicContact CD1-CD1 4.26Å; L507-F557 HydrophobicContact CD1-CZ 4.48Å; L507-L567 HydrophobicContact CD1-CD1 3.88Å; L507-F609 HydrophobicContact CD1-CB 4.44Å; L507-F609 HydrophobicContact CD2-CB 3.88Å; L507-F609 HydrophobicContact CD2-CD1 3.69Å; L507-F609 HydrophobicContact CD2-CD2 4.2Å; L507-F609 HydrophobicContact CD2-CE1 4.26Å; L507-F609 HydrophobicContact CD2-CG 3.67Å
508	R	97.6	Very high	95.5	Very high	26 Å²	26	62.1 Å²	62.1	10%	0.098	32%	0.319	C	S	.	.	H	α-helix	trans	-83.8	-14.7	176.4	-68.7	174.3	-176.1	110.2	13.8	114	F504 E505 R506 K514 E515 Y516 D530 T532	F504-R508 WeakPolarHBondContact O-CG 3.31Å; F504-R508 PolarHBondContact O-N 3.16Å; F504-R508 VanDerWaalsContact O-N 3.13Å; E505-R508 PolarHBondContact O-N 2.95Å; R506-R508 PolarHBondContact O-N 3.46Å; R508-K514 CarbonylContact O-C 3.34Å; R508-K514 WeakPolarHBondContact O-CA 3.31Å; R508-K514 PolarHBondContact O-N 3.32Å; R508-E515 CarbonylContact C-O 3.45Å; R508-E515 PolarHBondContact O-N 2.77Å; R508-Y516 HydrophobicContact CB-CE1 4.28Å; R508-Y516 HydrophobicContact CG-CE1 3.63Å; R508-D530 IonicContact CZ-OD2 3.78Å; R508-D530 IonicContact NE-OD2 2.87Å; R508-D530 PolarHBondContact NE-OD2 3.38Å; R508-D530 IonicContact NH2-OD1 3.92Å; R508-D530 PolarHBondContact NH2-OD1 2.87Å; R508-D530 IonicContact NH2-OD2 3.73Å; R508-D530 PolarHBondContact NH2-OD2 3.15Å; R508-T532 PolarHBondContact NH2-OG1 3.44Å
509	N	97.3	Very high	95.7	Very high	74 Å²	74	63.7 Å²	63.7	40%	0.396	32%	0.317	S	S	.	.	S	Bend	trans	-134.9	50.5	-176.5	-56.8	-76	0	0	0	108.9	E505 R506 S512 P513 K514	E505-N509 PolarHBondContact O-N 3.36Å; E505-N509 VanDerWaalsContact O-N 3.14Å; E505-N509 PolarHBondContact O-ND2 2.89Å; R506-N509 CarbonylContact O-C 3.21Å; R506-N509 PolarHBondContact O-N 3.1Å; R506-N509 VanDerWaalsContact O-N 3.13Å; N509-S512 CarbonylContact C-O 3.51Å; N509-S512 WeakPolarHBondContact CA-O 3.2Å; N509-P513 WeakPolarHBondContact OD1-CA 3.33Å; N509-K514 PolarHBondContact OD1-N 2.7Å
510	F	95.1	Very high	95.9	Very high	65 Å²	65	62.1 Å²	62.1	29%	0.285	31%	0.307	S	S	.	.	S	Bend	trans	-69.2	-63.3	-162.8	-162.5	-98.9	0	0	0	111.7	R506 L507 E515 P517 F609	R506-F510 VanDerWaalsContact O-CA 3.26Å; R506-F510 WeakPolarHBondContact O-CA 3.46Å; R506-F510 PolarHBondContact O-N 3.31Å; R506-F510 VanDerWaalsContact O-N 3.15Å; L507-F510 HydrophobicContact CD2-CD2 4.22Å; L507-F510 HydrophobicContact CD2-CE2 4.22Å; F510-E515 PolarHBondContact N-O 3.4Å; F510-P517 HydrophobicContact CB-CB 4.44Å; F510-P517 HydrophobicContact CD1-CB 3.74Å; F510-P517 HydrophobicContact CD2-CB 4.01Å; F510-P517 HydrophobicContact CD2-CG 4.23Å; F510-P517 HydrophobicContact CE1-CB 3.88Å; F510-P517 HydrophobicContact CE2-CB 4.13Å; F510-P517 HydrophobicContact CE2-CG 4.5Å; F510-P517 HydrophobicContact CG-CB 3.8Å; F510-P517 HydrophobicContact CG-CG 4.34Å; F510-P517 HydrophobicContact CZ-CB 4.06Å; F510-F609 HydrophobicContact CE2-CD1 4.26Å; F510-F609 HydrophobicContact CE2-CE1 4.11Å; F510-F609 HydrophobicContact CZ-CE1 4.18Å
511	D	91.9	Very high	96	Very high	105 Å²	105	62.9 Å²	62.9	56%	0.561	32%	0.321	S	S	*	.	S	Bend	trans	-101.5	-23.6	174.8	-63.5	-37.2	0	0	0	112.1
512	S	93.3	Very high	96.1	Very high	57 Å²	57	63.5 Å²	63.5	40%	0.399	33%	0.334	S	S	.	.	S	Bend	trans	-156.3	160.7	-178.2	-75.7	0	0	0	0	110.6	N509 K514 E515	N509-S512 CarbonylContact C-O 3.51Å; N509-S512 WeakPolarHBondContact CA-O 3.2Å; S512-K514 PolarHBondContact O-N 2.81Å; S512-E515 WeakPolarHBondContact O-CB 3.29Å; S512-E515 PolarHBondContact O-N 3.38Å; S512-E515 VanDerWaalsContact O-N 3.08Å
513	P	94.1	Very high	96.2	Very high	113 Å²	113	61.5 Å²	61.5	73%	0.734	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	130.2	179.8	-26.6	35.2	0	0	0	112.7	N509 E515	N509-P513 WeakPolarHBondContact OD1-CA 3.33Å; P513-E515 PolarHBondContact O-N 2.68Å
514	K	91.2	Very high	96.3	Very high	186 Å²	186	62.3 Å²	62.3	81%	0.809	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	22.1	-177.5	-52.7	175.9	-179.2	173.9	0	114.6	R508 N509 S512	R508-K514 CarbonylContact O-C 3.34Å; R508-K514 WeakPolarHBondContact O-CA 3.31Å; R508-K514 PolarHBondContact O-N 3.32Å; N509-K514 PolarHBondContact OD1-N 2.7Å; S512-K514 PolarHBondContact O-N 2.81Å
515	E	95.2	Very high	96.4	Very high	62 Å²	62	63.3 Å²	63.3	29%	0.29	33%	0.329	S	S	.	.			trans	-109.4	125	173.6	-167.1	166	-177.7	0	0	110.8	R508 F510 S512 P513 K518	R508-E515 CarbonylContact C-O 3.45Å; R508-E515 PolarHBondContact O-N 2.77Å; F510-E515 PolarHBondContact N-O 3.4Å; S512-E515 WeakPolarHBondContact O-CB 3.29Å; S512-E515 PolarHBondContact O-N 3.38Å; S512-E515 VanDerWaalsContact O-N 3.08Å; P513-E515 PolarHBondContact O-N 2.68Å; E515-K518 WeakPolarHBondContact OE1-CE 3.39Å; E515-K518 IonicContact OE1-NZ 3.67Å; E515-K518 PolarHBondContact OE1-NZ 3.45Å
516	Y	97.5	Very high	96.4	Very high	22 Å²	22	63.3 Å²	63.3	9%	0.086	33%	0.332	C	S	.	.			trans	-84.7	157.6	175.7	-69.6	-87.5	0	0	0	111	L507 R508 K518 V528 D530 T533 Y535 I555	L507-Y516 WeakPolarHBondContact O-CA 3.43Å; L507-Y516 VanDerWaalsContact O-CD1 3.29Å; L507-Y516 WeakPolarHBondContact O-CD1 3.38Å; R508-Y516 HydrophobicContact CB-CE1 4.28Å; R508-Y516 HydrophobicContact CG-CE1 3.63Å; Y516-K518 PolarHBondContact O-N 3.12Å; Y516-V528 HydrophobicContact CD1-CG1 3.67Å; Y516-V528 HydrophobicContact CD2-CG1 4.29Å; Y516-V528 HydrophobicContact CE1-CG1 4.11Å; Y516-V528 HydrophobicContact CG-CB 4.36Å; Y516-V528 HydrophobicContact CG-CG1 3.77Å; Y516-D530 HydrophobicContact CE1-CB 4.03Å; Y516-D530 WeakPolarHBondContact OH-CB 3.46Å; Y516-D530 PolarHBondContact OH-OD2 3.09Å; Y516-T533 PolarHBondContact OH-OG1 3.39Å; Y516-T533 VanDerWaalsContact OH-OG1 3.13Å; Y516-Y535 AromaticContact CD2-CD1 3.86Å; Y516-Y535 HydrophobicContact CD2-CD1 3.86Å; Y516-Y535 AromaticContact CD2-CE1 3.68Å; Y516-Y535 HydrophobicContact CD2-CE1 3.68Å; Y516-Y535 AromaticContact CE2-CD1 3.41Å; Y516-Y535 HydrophobicContact CE2-CD1 3.41Å; Y516-Y535 VanDerWaalsContact CE2-CD1 3.41Å; Y516-Y535 HydrophobicContact CE2-CD2 4.38Å; Y516-Y535 AromaticContact CE2-CE1 3.73Å; Y516-Y535 HydrophobicContact CE2-CE1 3.73Å; Y516-Y535 AromaticContact CE2-CG 3.77Å; Y516-Y535 HydrophobicContact CE2-CG 3.77Å; Y516-I555 HydrophobicContact CE1-CD1 4.1Å
517	P	97.5	Very high	96.5	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.019	34%	0.335	C	S	.	.			trans	-58.9	137.5	178.6	23.3	-34.5	0	0	0	112.3	L507 F510 I525 F557 F609	L507-P517 HydrophobicContact CD2-CG 4.45Å; L507-P517 VanDerWaalsContact O-CD 3.25Å; L507-P517 WeakPolarHBondContact O-CD 3.49Å; F510-P517 HydrophobicContact CB-CB 4.44Å; F510-P517 HydrophobicContact CD1-CB 3.74Å; F510-P517 HydrophobicContact CD2-CB 4.01Å; F510-P517 HydrophobicContact CD2-CG 4.23Å; F510-P517 HydrophobicContact CE1-CB 3.88Å; F510-P517 HydrophobicContact CE2-CB 4.13Å; F510-P517 HydrophobicContact CE2-CG 4.5Å; F510-P517 HydrophobicContact CG-CB 3.8Å; F510-P517 HydrophobicContact CG-CG 4.34Å; F510-P517 HydrophobicContact CZ-CB 4.06Å; P517-I525 HydrophobicContact CB-CD1 4.11Å; P517-I525 HydrophobicContact CG-CD1 4.07Å; P517-I525 VanDerWaalsContact O-CD1 3.23Å; P517-I525 WeakPolarHBondContact O-CD1 3.49Å; P517-F557 HydrophobicContact CG-CE1 3.83Å; P517-F557 HydrophobicContact CG-CZ 4.44Å; P517-F609 HydrophobicContact CB-CE1 3.87Å; P517-F609 HydrophobicContact CB-CZ 3.75Å; P517-F609 HydrophobicContact CG-CE1 3.82Å; P517-F609 HydrophobicContact CG-CE2 4.17Å; P517-F609 HydrophobicContact CG-CZ 3.46Å; P517-F609 VanDerWaalsContact CG-CZ 3.46Å
518	K	97.7	Very high	96.5	Very high	117 Å²	117	63.8 Å²	63.8	51%	0.509	34%	0.337	S	S	.	.	S	Bend	trans	-86.2	-20.4	171.6	-67.1	173	-175.2	148.9	0	112.9	E515 Y516 I525	E515-K518 WeakPolarHBondContact OE1-CE 3.39Å; E515-K518 IonicContact OE1-NZ 3.67Å; E515-K518 PolarHBondContact OE1-NZ 3.45Å; Y516-K518 PolarHBondContact O-N 3.12Å; K518-I525 WeakPolarHBondContact O-CB 3.4Å; K518-I525 PolarHBondContact O-N 3.25Å
519	F	98.2	Very high	96.5	Very high	122 Å²	122	64.3 Å²	64.3	54%	0.535	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.2	179.2	-64.5	-92.8	0	0	0	110.8	F523 A524	F519-F523 CarbonylContact C-O 3.57Å; F519-F523 VanDerWaalsContact CA-O 3.27Å; F519-F523 WeakPolarHBondContact CA-O 3.43Å; F519-A524 HydrophobicContact CD1-CB 3.96Å; F519-A524 HydrophobicContact CE1-CB 3.67Å
520	C	97.7	Very high	96.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	97.7	166.8	-175.2	0	0	0	0	108.1	T522 F523 I525 F559 A604 L605 F609	C520-T522 PolarHBondContact O-N 3.1Å; C520-F523 PolarHBondContact N-O 2.97Å; C520-F523 WeakPolarHBondContact O-CD2 3.45Å; C520-F523 PolarHBondContact O-N 2.77Å; C520-F523 VanDerWaalsContact O-N 3.08Å; C520-I525 HydrophobicContact CB-CD1 4.4Å; C520-F559 HydrophobicContact CB-CE1 3.66Å; C520-F559 HydrophobicContact CB-CZ 4.08Å; C520-A604 VanDerWaalsContact SG-C 3.53Å; C520-L605 WeakPolarHBondContact SG-CA 3.49Å; C520-L605 PolarHBondContact SG-N 3.23Å; C520-F609 HydrophobicContact CB-CE1 4.08Å; C520-F609 HydrophobicContact CB-CE2 3.79Å; C520-F609 HydrophobicContact CB-CZ 3.47Å; C520-F609 VanDerWaalsContact CB-CZ 3.47Å
521	G	95.7	Very high	96.6	Very high	41 Å²	41	57.9 Å²	57.9	42%	0.423	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	-122.8	-165.3	0	0	0	0	0	110.2
522	T	96.5	Very high	96.7	Very high	127 Å²	127	53.4 Å²	53.4	78%	0.779	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.7	176.9	54.8	0	0	0	0	114	C520	C520-T522 PolarHBondContact O-N 3.1Å
523	F	98.2	Very high	96.8	Very high	24 Å²	24	54.4 Å²	54.4	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.7	-173.1	-61.9	-83.5	0	0	0	111.6	F519 C520 F559 N561 E597 K600 L601 A604	F519-F523 CarbonylContact C-O 3.57Å; F519-F523 VanDerWaalsContact CA-O 3.27Å; F519-F523 WeakPolarHBondContact CA-O 3.43Å; C520-F523 PolarHBondContact N-O 2.97Å; C520-F523 WeakPolarHBondContact O-CD2 3.45Å; C520-F523 PolarHBondContact O-N 2.77Å; C520-F523 VanDerWaalsContact O-N 3.08Å; F523-F559 HydrophobicContact CB-CD1 3.75Å; F523-F559 HydrophobicContact CB-CE1 4.03Å; F523-N561 WeakPolarHBondContact CD1-ND2 3.45Å; F523-E597 HydrophobicContact CE1-CG 4.19Å; F523-K600 HydrophobicContact CE2-CB 4.13Å; F523-K600 HydrophobicContact CZ-CB 3.74Å; F523-L601 HydrophobicContact CB-CD1 4.14Å; F523-L601 HydrophobicContact CD1-CB 4.41Å; F523-L601 HydrophobicContact CD1-CD1 3.9Å; F523-L601 HydrophobicContact CD2-CB 4.17Å; F523-L601 HydrophobicContact CD2-CD1 4.37Å; F523-L601 HydrophobicContact CD2-CG 4.37Å; F523-L601 HydrophobicContact CE1-CB 4.2Å; F523-L601 HydrophobicContact CE1-CD1 4.41Å; F523-L601 VanDerWaalsContact CE2-CA 3.48Å; F523-L601 HydrophobicContact CE2-CB 3.96Å; F523-L601 HydrophobicContact CG-CB 4.4Å; F523-L601 HydrophobicContact CG-CD1 3.88Å; F523-L601 HydrophobicContact CG-CG 4.36Å; F523-L601 HydrophobicContact CZ-CB 3.96Å; F523-A604 HydrophobicContact CD2-CB 4.03Å; F523-A604 HydrophobicContact CE2-CB 4.17Å
524	A	98.4	Very high	96.8	Very high	17 Å²	17	49.5 Å²	49.5	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.8	176.9	0	0	0	0	0	111.8	F519 F559 Q560	F519-A524 HydrophobicContact CD1-CB 3.96Å; F519-A524 HydrophobicContact CE1-CB 3.67Å; A524-F559 WeakPolarHBondContact O-CA 3.48Å; A524-Q560 HydrophobicContact CB-CB 4.35Å; A524-Q560 HydrophobicContact CB-CG 3.94Å; A524-Q560 PolarHBondContact O-N 3.23Å
525	I	98.6	Very high	97.1	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.108	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.6	178.1	-65.9	165.8	0	0	0	108.8	P517 K518 C520 H527 V528 F557 F559 F609	P517-I525 HydrophobicContact CB-CD1 4.11Å; P517-I525 HydrophobicContact CG-CD1 4.07Å; P517-I525 VanDerWaalsContact O-CD1 3.23Å; P517-I525 WeakPolarHBondContact O-CD1 3.49Å; K518-I525 WeakPolarHBondContact O-CB 3.4Å; K518-I525 PolarHBondContact O-N 3.25Å; C520-I525 HydrophobicContact CB-CD1 4.4Å; I525-H527 WeakPolarHBondContact CG2-O 3.32Å; I525-V528 HydrophobicContact CG2-CG2 3.58Å; I525-F557 HydrophobicContact CD1-CD1 3.79Å; I525-F557 HydrophobicContact CD1-CE1 4.34Å; I525-F557 HydrophobicContact CG1-CD1 4.47Å; I525-F557 HydrophobicContact CG2-CD1 4.32Å; I525-F559 HydrophobicContact CD1-CE1 4.15Å; I525-F559 HydrophobicContact CG1-CD1 3.77Å; I525-F559 HydrophobicContact CG1-CE1 3.43Å; I525-F559 VanDerWaalsContact CG1-CE1 3.43Å; I525-F559 HydrophobicContact CG1-CZ 4.16Å; I525-F609 HydrophobicContact CD1-CE2 4.24Å; I525-F609 HydrophobicContact CD1-CZ 3.84Å
526	L	98.2	Very high	97.2	Very high	88 Å²	88	40.8 Å²	40.8	46%	0.461	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-48.5	176.2	-177.8	65	0	0	0	111.4	T558 Q560	L526-T558 WeakPolarHBondContact CA-O 3.48Å; L526-T558 WeakPolarHBondContact CB-O 3.34Å; L526-T558 PolarHBondContact N-O 3.15Å; L526-Q560 HydrophobicContact CB-CG 4.16Å
527	H	98.2	Very high	97.2	Very high	63 Å²	63	41.5 Å²	41.5	29%	0.292	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.6	179.7	-61.5	-60.7	0	0	0	112.7	I525 S537 F557 T558	I525-H527 WeakPolarHBondContact CG2-O 3.32Å; H527-S537 VanDerWaalsContact CA-OG 3.28Å; H527-S537 WeakPolarHBondContact CA-OG 3.38Å; H527-F557 WeakPolarHBondContact O-CA 3.5Å; H527-T558 PolarHBondContact N-O 2.87Å; H527-T558 PolarHBondContact O-N 3.24Å
528	V	98.4	Very high	97.1	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.1	172.2	-176.4	0	0	0	0	108.8	Y516 I525 Y535 D536 S537 I555 T556 F557	Y516-V528 HydrophobicContact CD1-CG1 3.67Å; Y516-V528 HydrophobicContact CD2-CG1 4.29Å; Y516-V528 HydrophobicContact CE1-CG1 4.11Å; Y516-V528 HydrophobicContact CG-CB 4.36Å; Y516-V528 HydrophobicContact CG-CG1 3.77Å; I525-V528 HydrophobicContact CG2-CG2 3.58Å; V528-Y535 HydrophobicContact CB-CE1 4.25Å; V528-D536 WeakPolarHBondContact O-CA 3.29Å; V528-S537 PolarHBondContact N-OG 3.35Å; V528-S537 PolarHBondContact O-N 3.46Å; V528-I555 HydrophobicContact CG1-CG2 3.71Å; V528-T556 WeakPolarHBondContact CA-O 3.32Å; V528-F557 HydrophobicContact CG1-CD1 4.31Å; V528-F557 HydrophobicContact CG1-CE1 4.17Å; V528-F557 HydrophobicContact CG2-CD1 3.86Å; V528-F557 HydrophobicContact CG2-CE1 4.18Å
529	R	98.1	Very high	97	Very high	37 Å²	37	40.8 Å²	40.8	14%	0.14	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.7	170	-179.4	-171.7	-64.7	160.9	-0.7	108.6	E407 I531 Y535 D536 I555 T556	E407-R529 IonicContact OE2-CZ 3.39Å; E407-R529 IonicContact OE2-NH1 3.17Å; E407-R529 PolarHBondContact OE2-NH1 3.09Å; E407-R529 IonicContact OE2-NH2 2.63Å; R529-I531 HydrophobicContact CG-CD1 4Å; R529-Y535 CarbonylContact C-O 3.56Å; R529-Y535 WeakPolarHBondContact CA-O 3.24Å; R529-D536 HydrophobicContact CB-CB 4.45Å; R529-D536 HydrophobicContact CG-CB 4.18Å; R529-D536 IonicContact CZ-OD2 2.92Å; R529-D536 IonicContact NE-OD2 3.03Å; R529-D536 PolarHBondContact NE-OD2 3.02Å; R529-D536 IonicContact NH2-OD2 2.97Å; R529-D536 PolarHBondContact NH2-OD2 3.22Å; R529-I555 CarbonylContact O-C 3.47Å; R529-I555 WeakPolarHBondContact O-CA 3.02Å; R529-T556 PolarHBondContact N-O 2.85Å; R529-T556 PolarHBondContact O-N 2.98Å
530	D	97.6	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	104.5	172.7	178.7	15.1	0	0	0	109.8	R508 Y516 T532 T533 G534 Y535 M554 I555	R508-D530 IonicContact CZ-OD2 3.78Å; R508-D530 IonicContact NE-OD2 2.87Å; R508-D530 PolarHBondContact NE-OD2 3.38Å; R508-D530 IonicContact NH2-OD1 3.92Å; R508-D530 PolarHBondContact NH2-OD1 2.87Å; R508-D530 IonicContact NH2-OD2 3.73Å; R508-D530 PolarHBondContact NH2-OD2 3.15Å; Y516-D530 HydrophobicContact CE1-CB 4.03Å; Y516-D530 WeakPolarHBondContact OH-CB 3.46Å; Y516-D530 PolarHBondContact OH-OD2 3.09Å; D530-T532 PolarHBondContact O-N 3.44Å; D530-T532 WeakPolarHBondContact OD1-CA 3.21Å; D530-T532 WeakPolarHBondContact OD1-CB 3.15Å; D530-T532 PolarHBondContact OD1-N 2.94Å; D530-T532 PolarHBondContact OD1-OG1 3.29Å; D530-T533 WeakPolarHBondContact CB-OG1 3.28Å; D530-T533 VanDerWaalsContact CG-OG1 3.26Å; D530-T533 PolarHBondContact O-N 2.89Å; D530-T533 PolarHBondContact O-OG1 3.47Å; D530-T533 WeakPolarHBondContact OD2-CG2 3.45Å; D530-T533 PolarHBondContact OD2-OG1 3.12Å; D530-G534 CarbonylContact O-C 3.55Å; D530-G534 WeakPolarHBondContact O-CA 3.37Å; D530-G534 PolarHBondContact O-N 3.16Å; D530-Y535 PolarHBondContact N-O 3.02Å; D530-Y535 PolarHBondContact O-N 3.22Å; D530-M554 WeakPolarHBondContact CA-O 3.15Å; D530-I555 HydrophobicContact CB-CG1 4.06Å
531	I	95.8	Very high	96.7	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25	179.1	-62.7	-56.1	0	0	0	111.6	L409 R529 T533 L546 V548 S549 M554	L409-I531 HydrophobicContact CD1-CG2 4.48Å; L409-I531 HydrophobicContact CD2-CB 4.5Å; L409-I531 HydrophobicContact CD2-CD1 4.11Å; L409-I531 HydrophobicContact CD2-CG1 4.05Å; L409-I531 HydrophobicContact CD2-CG2 3.67Å; R529-I531 HydrophobicContact CG-CD1 4Å; I531-T533 VanDerWaalsContact C-N 3.35Å; I531-L546 HydrophobicContact CD1-CB 3.79Å; I531-L546 HydrophobicContact CD1-CD1 3.89Å; I531-L546 HydrophobicContact CD1-CG 4.45Å; I531-V548 WeakPolarHBondContact O-CA 3.38Å; I531-V548 WeakPolarHBondContact O-CG1 3.45Å; I531-S549 PolarHBondContact O-N 3.18Å; I531-M554 HydrophobicContact CB-CB 4.2Å; I531-M554 HydrophobicContact CB-CG 4.35Å; I531-M554 HydrophobicContact CG1-CG 4.2Å; I531-M554 HydrophobicContact CG1-SD 4.34Å; I531-M554 PolarHBondContact N-O 3.28Å
532	T	94.4	Very high	96.7	Very high	12 Å²	12	50.4 Å²	50.4	7%	0.074	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-42.4	179.7	-34.1	0	0	0	0	110.9	R508 D530 S552 M554	R508-T532 PolarHBondContact NH2-OG1 3.44Å; D530-T532 PolarHBondContact O-N 3.44Å; D530-T532 WeakPolarHBondContact OD1-CA 3.21Å; D530-T532 WeakPolarHBondContact OD1-CB 3.15Å; D530-T532 PolarHBondContact OD1-N 2.94Å; D530-T532 PolarHBondContact OD1-OG1 3.29Å; T532-S552 WeakPolarHBondContact CB-O 3.37Å; T532-S552 WeakPolarHBondContact CG2-O 3.48Å; T532-S552 PolarHBondContact OG1-O 3.13Å; T532-S552 VanDerWaalsContact OG1-O 3.04Å; T532-M554 PolarHBondContact OG1-N 3.04Å; T532-M554 VanDerWaalsContact OG1-N 3.09Å
533	T	95	Very high	96.7	Very high	77 Å²	77	50.9 Å²	50.9	47%	0.472	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-14.8	-178	56	0	0	0	0	113	Y516 D530 I531 Y535	Y516-T533 PolarHBondContact OH-OG1 3.39Å; Y516-T533 VanDerWaalsContact OH-OG1 3.13Å; D530-T533 WeakPolarHBondContact CB-OG1 3.28Å; D530-T533 VanDerWaalsContact CG-OG1 3.26Å; D530-T533 PolarHBondContact O-N 2.89Å; D530-T533 PolarHBondContact O-OG1 3.47Å; D530-T533 WeakPolarHBondContact OD2-CG2 3.45Å; D530-T533 PolarHBondContact OD2-OG1 3.12Å; I531-T533 VanDerWaalsContact C-N 3.35Å; T533-Y535 VanDerWaalsContact C-N 3.32Å
534	G	95.7	Very high	96.4	Very high	10 Å²	10	50.7 Å²	50.7	10%	0.103	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	16.6	-172.3	0	0	0	0	0	113.4	D530 K543 S544	D530-G534 CarbonylContact O-C 3.55Å; D530-G534 WeakPolarHBondContact O-CA 3.37Å; D530-G534 PolarHBondContact O-N 3.16Å; G534-K543 CarbonylContact O-C 3.53Å; G534-K543 VanDerWaalsContact O-CA 3.31Å; G534-K543 WeakPolarHBondContact O-CA 3.47Å; G534-S544 PolarHBondContact O-N 3.2Å
535	Y	96.9	Very high	96.1	Very high	65 Å²	65	55 Å²	55	26%	0.255	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	138.8	177.7	178.3	-95.1	0	0	0	111	Y516 V528 R529 D530 T533 S537 K542	Y516-Y535 AromaticContact CD2-CD1 3.86Å; Y516-Y535 HydrophobicContact CD2-CD1 3.86Å; Y516-Y535 AromaticContact CD2-CE1 3.68Å; Y516-Y535 HydrophobicContact CD2-CE1 3.68Å; Y516-Y535 AromaticContact CE2-CD1 3.41Å; Y516-Y535 HydrophobicContact CE2-CD1 3.41Å; Y516-Y535 VanDerWaalsContact CE2-CD1 3.41Å; Y516-Y535 HydrophobicContact CE2-CD2 4.38Å; Y516-Y535 AromaticContact CE2-CE1 3.73Å; Y516-Y535 HydrophobicContact CE2-CE1 3.73Å; Y516-Y535 AromaticContact CE2-CG 3.77Å; Y516-Y535 HydrophobicContact CE2-CG 3.77Å; V528-Y535 HydrophobicContact CB-CE1 4.25Å; R529-Y535 CarbonylContact C-O 3.56Å; R529-Y535 WeakPolarHBondContact CA-O 3.24Å; D530-Y535 PolarHBondContact N-O 3.02Å; D530-Y535 PolarHBondContact O-N 3.22Å; T533-Y535 VanDerWaalsContact C-N 3.32Å; Y535-S537 WeakPolarHBondContact OH-CB 3.25Å; Y535-K542 WeakPolarHBondContact CA-O 3.24Å; Y535-K542 HydrophobicContact CD2-CB 4.33Å; Y535-K542 HydrophobicContact CE2-CB 4.04Å; Y535-K542 HydrophobicContact CE2-CD 4.16Å
536	D	97.4	Very high	95.8	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	106.8	171.2	-170.2	-26.2	0	0	0	110.8	V528 R529 S538 Q539 K542	V528-D536 WeakPolarHBondContact O-CA 3.29Å; R529-D536 HydrophobicContact CB-CB 4.45Å; R529-D536 HydrophobicContact CG-CB 4.18Å; R529-D536 IonicContact CZ-OD2 2.92Å; R529-D536 IonicContact NE-OD2 3.03Å; R529-D536 PolarHBondContact NE-OD2 3.02Å; R529-D536 IonicContact NH2-OD2 2.97Å; R529-D536 PolarHBondContact NH2-OD2 3.22Å; D536-S538 VanDerWaalsContact CG-OG 3.3Å; D536-S538 PolarHBondContact O-N 3.39Å; D536-S538 VanDerWaalsContact OD1-CB 3.3Å; D536-S538 WeakPolarHBondContact OD1-CB 3.49Å; D536-S538 PolarHBondContact OD1-N 3.13Å; D536-S538 PolarHBondContact OD1-OG 2.97Å; D536-S538 PolarHBondContact OD2-OG 2.95Å; D536-Q539 HydrophobicContact CB-CG 3.98Å; D536-Q539 PolarHBondContact O-N 2.72Å; D536-K542 PolarHBondContact N-O 3.47Å; D536-K542 CarbonylContact O-C 3.54Å; D536-K542 WeakPolarHBondContact O-CA 3.45Å
537	S	97.3	Very high	95.4	Very high	36 Å²	36	53.6 Å²	53.6	25%	0.252	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.6	-177.3	73.2	0	0	0	0	114.4	H527 V528 Y535 Q539	H527-S537 VanDerWaalsContact CA-OG 3.28Å; H527-S537 WeakPolarHBondContact CA-OG 3.38Å; V528-S537 PolarHBondContact N-OG 3.35Å; V528-S537 PolarHBondContact O-N 3.46Å; Y535-S537 WeakPolarHBondContact OH-CB 3.25Å; S537-Q539 VanDerWaalsContact C-N 3.28Å
538	S	95.4	Very high	95.1	Very high	46 Å²	46	54.1 Å²	54.1	32%	0.322	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.2	172.7	72.9	0	0	0	0	113	D536	D536-S538 VanDerWaalsContact CG-OG 3.3Å; D536-S538 PolarHBondContact O-N 3.39Å; D536-S538 VanDerWaalsContact OD1-CB 3.3Å; D536-S538 WeakPolarHBondContact OD1-CB 3.49Å; D536-S538 PolarHBondContact OD1-N 3.13Å; D536-S538 PolarHBondContact OD1-OG 2.97Å; D536-S538 PolarHBondContact OD2-OG 2.95Å
539	Q	96.3	Very high	94.5	Very high	59 Å²	59	55.5 Å²	55.5	28%	0.276	31%	0.308	S	S	.	.	S	Bend	trans	-97.3	141.5	-176	-58.6	-57.2	-53.6	0	0	111.2	D536 S537 N541 K542 K543	D536-Q539 HydrophobicContact CB-CG 3.98Å; D536-Q539 PolarHBondContact O-N 2.72Å; S537-Q539 VanDerWaalsContact C-N 3.28Å; Q539-N541 PolarHBondContact O-N 3.34Å; Q539-N541 VanDerWaalsContact O-N 3.16Å; Q539-K542 WeakPolarHBondContact O-CA 3.07Å; Q539-K542 PolarHBondContact O-N 2.92Å; Q539-K543 WeakPolarHBondContact CB-O 3.37Å; Q539-K543 VanDerWaalsContact CG-O 3.26Å; Q539-K543 WeakPolarHBondContact CG-O 3.22Å
540	P	94	Very high	93.8	Very high	134 Å²	134	61.7 Å²	61.7	87%	0.87	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.5	-178.7	-27.4	34.6	0	0	0	114.3	K542	P540-K542 VanDerWaalsContact C-N 3.34Å
541	N	94.9	Very high	92.9	Very high	107 Å²	107	69.3 Å²	69.3	57%	0.572	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	4.7	178.5	66.6	2.4	0	0	0	113.5	Q539 K543	Q539-N541 PolarHBondContact O-N 3.34Å; Q539-N541 VanDerWaalsContact O-N 3.16Å; N541-K543 PolarHBondContact O-N 3.34Å; N541-K543 WeakPolarHBondContact OD1-CB 3.25Å; N541-K543 PolarHBondContact OD1-N 3.32Å; N541-K543 PolarHBondContact OD1-O 3.08Å
542	K	95.1	Very high	92.4	Very high	125 Å²	125	71.4 Å²	71.4	54%	0.543	39%	0.392	S	S	.	.	S	Bend	trans	56.8	24.2	-174.5	-58.1	-175.5	-180	179.8	0	115.1	Y535 D536 Q539 P540	Y535-K542 WeakPolarHBondContact CA-O 3.24Å; Y535-K542 HydrophobicContact CD2-CB 4.33Å; Y535-K542 HydrophobicContact CE2-CB 4.04Å; Y535-K542 HydrophobicContact CE2-CD 4.16Å; D536-K542 PolarHBondContact N-O 3.47Å; D536-K542 CarbonylContact O-C 3.54Å; D536-K542 WeakPolarHBondContact O-CA 3.45Å; Q539-K542 WeakPolarHBondContact O-CA 3.07Å; Q539-K542 PolarHBondContact O-N 2.92Å; P540-K542 VanDerWaalsContact C-N 3.34Å
543	K	95.9	Very high	92.3	Very high	136 Å²	136	72.5 Å²	72.5	59%	0.591	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-113.3	137.1	179.4	-65	-177.8	179.4	-179.3	0	111.1	G534 Q539 N541	G534-K543 CarbonylContact O-C 3.53Å; G534-K543 VanDerWaalsContact O-CA 3.31Å; G534-K543 WeakPolarHBondContact O-CA 3.47Å; Q539-K543 WeakPolarHBondContact CB-O 3.37Å; Q539-K543 VanDerWaalsContact CG-O 3.26Å; Q539-K543 WeakPolarHBondContact CG-O 3.22Å; N541-K543 PolarHBondContact O-N 3.34Å; N541-K543 WeakPolarHBondContact OD1-CB 3.25Å; N541-K543 PolarHBondContact OD1-N 3.32Å; N541-K543 PolarHBondContact OD1-O 3.08Å
544	S	92.8	Very high	92.4	Very high	20 Å²	20	69.3 Å²	69.3	14%	0.14	38%	0.376	C	S	.	.			trans	-64.9	141.1	175.6	-165	0	0	0	0	111.4	G534 L546	G534-S544 PolarHBondContact O-N 3.2Å; S544-L546 VanDerWaalsContact C-N 3.25Å; S544-L546 PolarHBondContact OG-N 2.85Å
545	V	92.1	Very high	92.5	Very high	109 Å²	109	68.9 Å²	68.9	66%	0.661	37%	0.371	S	S	*	.	S	Bend	trans	-78.7	-12.7	169	-62	0	0	0	0	112.4
546	L	92.8	Very high	92.5	Very high	18 Å²	18	66.1 Å²	66.1	9%	0.094	36%	0.362	C	S	.	.	S	Bend	trans	-88.6	152.7	177.9	-63.4	173.7	0	0	0	110.8	T388 E407 L409 I531 S544 V548	T388-L546 HydrophobicContact CG2-CD1 3.27Å; E407-L546 WeakPolarHBondContact O-CD2 3.45Å; L409-L546 HydrophobicContact CD2-CB 4.28Å; L409-L546 HydrophobicContact CD2-CD1 4.42Å; I531-L546 HydrophobicContact CD1-CB 3.79Å; I531-L546 HydrophobicContact CD1-CD1 3.89Å; I531-L546 HydrophobicContact CD1-CG 4.45Å; S544-L546 VanDerWaalsContact C-N 3.25Å; S544-L546 PolarHBondContact OG-N 2.85Å; L546-V548 PolarHBondContact O-N 2.95Å
547	P	90	Very high	92.6	Very high	60 Å²	60	66.1 Å²	66.1	39%	0.39	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-56.5	137.9	176.2	-24.2	33.8	0	0	0	112.2	L409 W414	L409-P547 HydrophobicContact CD1-CB 4.11Å; L409-P547 HydrophobicContact CD1-CG 4.48Å; W414-P547 HydrophobicContact CE3-CG 4.21Å; W414-P547 HydrophobicContact CH2-CB 4.14Å; W414-P547 HydrophobicContact CH2-CG 4.37Å; W414-P547 HydrophobicContact CZ3-CB 4.02Å; W414-P547 HydrophobicContact CZ3-CG 3.76Å
548	V	90.4	Very high	92.6	Very high	75 Å²	75	66.5 Å²	66.5	46%	0.455	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-76.8	130.4	177.5	-178.6	0	0	0	0	110	I531 L546 K550	I531-V548 WeakPolarHBondContact O-CA 3.38Å; I531-V548 WeakPolarHBondContact O-CG1 3.45Å; L546-V548 PolarHBondContact O-N 2.95Å; V548-K550 HydrophobicContact CG1-CG 3.9Å
549	S	85.8	Confident	92.8	Very high	35 Å²	35	64.5 Å²	64.5	25%	0.245	35%	0.348	C	S	.	.			trans	-115.3	82.7	173.8	-168.2	0	0	0	0	111.1	I531 N551 S552	I531-S549 PolarHBondContact O-N 3.18Å; S549-N551 PolarHBondContact O-N 3.07Å; S549-S552 PolarHBondContact O-N 3.3Å; S549-S552 VanDerWaalsContact O-O 3.04Å; S549-S552 WeakPolarHBondContact OG-CB 3.18Å; S549-S552 PolarHBondContact OG-OG 3.13Å
550	K	84.5	Confident	92.8	Very high	168 Å²	168	68.3 Å²	68.3	73%	0.73	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26	-174.5	-64.4	-175.1	179.5	179.6	0	114.6	V548	V548-K550 HydrophobicContact CG1-CG 3.9Å
551	N	79	Confident	92.8	Very high	159 Å²	159	63.9 Å²	63.9	85%	0.85	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	3.3	-176.6	-62.2	-15.3	0	0	0	112.8	S549	S549-N551 PolarHBondContact O-N 3.07Å
552	S	84.1	Confident	92.9	Very high	48 Å²	48	60 Å²	60	34%	0.336	32%	0.32	S	S	.	.	S	Bend	trans	-123.7	128.8	179.1	-51.4	0	0	0	0	109.7	T532 S549 M554	T532-S552 WeakPolarHBondContact CB-O 3.37Å; T532-S552 WeakPolarHBondContact CG2-O 3.48Å; T532-S552 PolarHBondContact OG1-O 3.13Å; T532-S552 VanDerWaalsContact OG1-O 3.04Å; S549-S552 PolarHBondContact O-N 3.3Å; S549-S552 VanDerWaalsContact O-O 3.04Å; S549-S552 WeakPolarHBondContact OG-CB 3.18Å; S549-S552 PolarHBondContact OG-OG 3.13Å; S552-M554 PolarHBondContact O-N 3.14Å
553	Q	93.4	Very high	93	Very high	34 Å²	34	54 Å²	54	16%	0.159	29%	0.294	C	S	.	.			trans	-80.7	121.3	176	-56.2	-62.1	-28.7	0	0	109	I500 F504 R568 T569	I500-Q553 HydrophobicContact CG2-CG 4.18Å; F504-Q553 HydrophobicContact CB-CG 4.4Å; F504-Q553 VanDerWaalsContact CB-OE1 3.27Å; F504-Q553 HydrophobicContact CD1-CB 3.7Å; F504-Q553 HydrophobicContact CD1-CG 4.36Å; F504-Q553 HydrophobicContact CD2-CB 3.75Å; F504-Q553 HydrophobicContact CD2-CG 3.87Å; F504-Q553 HydrophobicContact CE1-CB 3.61Å; F504-Q553 HydrophobicContact CE2-CB 3.65Å; F504-Q553 HydrophobicContact CE2-CG 4.18Å; F504-Q553 HydrophobicContact CG-CB 3.77Å; F504-Q553 HydrophobicContact CG-CG 3.97Å; F504-Q553 HydrophobicContact CZ-CB 3.58Å; Q553-R568 CarbonylContact O-C 3.57Å; Q553-R568 WeakPolarHBondContact O-CA 3.18Å; Q553-R568 WeakPolarHBondContact O-CB 3.41Å; Q553-T569 HydrophobicContact CB-CG2 3.68Å; Q553-T569 HydrophobicContact CG-CG2 3.92Å; Q553-T569 PolarHBondContact N-OG1 3.42Å; Q553-T569 PolarHBondContact O-N 3.23Å
554	M	95.9	Very high	93.1	Very high	11 Å²	11	48.5 Å²	48.5	5%	0.054	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	111.8	174.9	178.4	165.1	173.9	0	0	111.8	T388 V389 P410 D530 I531 T532 S552 T566 L567 R568	T388-M554 HydrophobicContact CG2-CE 4.44Å; T388-M554 WeakPolarHBondContact OG1-CE 3.45Å; V389-M554 HydrophobicContact CG1-CE 3.94Å; P410-M554 HydrophobicContact CG-CE 4.26Å; P410-M554 HydrophobicContact CG-SD 4.22Å; D530-M554 WeakPolarHBondContact CA-O 3.15Å; I531-M554 HydrophobicContact CB-CB 4.2Å; I531-M554 HydrophobicContact CB-CG 4.35Å; I531-M554 HydrophobicContact CG1-CG 4.2Å; I531-M554 HydrophobicContact CG1-SD 4.34Å; I531-M554 PolarHBondContact N-O 3.28Å; T532-M554 PolarHBondContact OG1-N 3.04Å; T532-M554 VanDerWaalsContact OG1-N 3.09Å; S552-M554 PolarHBondContact O-N 3.14Å; M554-T566 HydrophobicContact CE-CG2 3.83Å; M554-T566 HydrophobicContact CG-CG2 3.99Å; M554-L567 CarbonylContact C-O 3.51Å; M554-L567 VanDerWaalsContact CA-O 3.28Å; M554-L567 WeakPolarHBondContact CA-O 3.37Å; M554-R568 HydrophobicContact CB-CB 4.1Å; M554-R568 HydrophobicContact CG-CB 4.15Å
555	I	98.1	Very high	93.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.1	177.1	-53.9	174.9	0	0	0	109	F504 L507 Y516 V528 R529 D530 F557 T566 L567	F504-I555 HydrophobicContact CD1-CD1 3.63Å; F504-I555 HydrophobicContact CD1-CG1 3.92Å; F504-I555 HydrophobicContact CE1-CD1 4.22Å; F504-I555 HydrophobicContact CE1-CG1 4.12Å; L507-I555 HydrophobicContact CB-CD1 4.03Å; L507-I555 HydrophobicContact CD1-CD1 4.26Å; Y516-I555 HydrophobicContact CE1-CD1 4.1Å; V528-I555 HydrophobicContact CG1-CG2 3.71Å; R529-I555 CarbonylContact O-C 3.47Å; R529-I555 WeakPolarHBondContact O-CA 3.02Å; D530-I555 HydrophobicContact CB-CG1 4.06Å; I555-F557 HydrophobicContact CB-CE2 4.21Å; I555-F557 HydrophobicContact CB-CZ 4.22Å; I555-F557 HydrophobicContact CG2-CD1 4.46Å; I555-F557 HydrophobicContact CG2-CD2 4.36Å; I555-F557 HydrophobicContact CG2-CE1 3.82Å; I555-F557 HydrophobicContact CG2-CE2 3.72Å; I555-F557 HydrophobicContact CG2-CZ 3.42Å; I555-F557 VanDerWaalsContact CG2-CZ 3.42Å; I555-T566 CarbonylContact O-C 3.53Å; I555-T566 WeakPolarHBondContact O-CA 3.43Å; I555-L567 PolarHBondContact N-O 3.35Å; I555-L567 PolarHBondContact O-N 3.29Å
556	T	98.2	Very high	93.6	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130	175	-56.9	0	0	0	0	109.6	V528 R529 V564 A565 T566	V528-T556 WeakPolarHBondContact CA-O 3.32Å; R529-T556 PolarHBondContact N-O 2.85Å; R529-T556 PolarHBondContact O-N 2.98Å; T556-V564 HydrophobicContact CG2-CG1 3.74Å; T556-A565 CarbonylContact C-O 3.4Å; T556-A565 WeakPolarHBondContact CA-O 3.39Å; T556-T566 WeakPolarHBondContact CB-OG1 3.29Å; T556-T566 WeakPolarHBondContact CG2-OG1 3.35Å; T556-T566 PolarHBondContact OG1-OG1 2.86Å
557	F	98.6	Very high	93.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126	175.9	-55.3	-83.1	0	0	0	108.6	L507 P517 I525 H527 V528 I555 F559 V564 A565 L567 F609	L507-F557 HydrophobicContact CD1-CZ 4.48Å; P517-F557 HydrophobicContact CG-CE1 3.83Å; P517-F557 HydrophobicContact CG-CZ 4.44Å; I525-F557 HydrophobicContact CD1-CD1 3.79Å; I525-F557 HydrophobicContact CD1-CE1 4.34Å; I525-F557 HydrophobicContact CG1-CD1 4.47Å; I525-F557 HydrophobicContact CG2-CD1 4.32Å; H527-F557 WeakPolarHBondContact O-CA 3.5Å; V528-F557 HydrophobicContact CG1-CD1 4.31Å; V528-F557 HydrophobicContact CG1-CE1 4.17Å; V528-F557 HydrophobicContact CG2-CD1 3.86Å; V528-F557 HydrophobicContact CG2-CE1 4.18Å; I555-F557 HydrophobicContact CB-CE2 4.21Å; I555-F557 HydrophobicContact CB-CZ 4.22Å; I555-F557 HydrophobicContact CG2-CD1 4.46Å; I555-F557 HydrophobicContact CG2-CD2 4.36Å; I555-F557 HydrophobicContact CG2-CE1 3.82Å; I555-F557 HydrophobicContact CG2-CE2 3.72Å; I555-F557 HydrophobicContact CG2-CZ 3.42Å; I555-F557 VanDerWaalsContact CG2-CZ 3.42Å; F557-F559 HydrophobicContact CB-CD2 4.33Å; F557-F559 HydrophobicContact CB-CE2 3.56Å; F557-F559 HydrophobicContact CB-CZ 3.71Å; F557-F559 HydrophobicContact CG-CZ 4.45Å; F557-V564 CarbonylContact O-C 3.54Å; F557-V564 WeakPolarHBondContact O-CA 3.48Å; F557-A565 PolarHBondContact N-O 2.87Å; F557-A565 PolarHBondContact O-N 3.43Å; F557-L567 HydrophobicContact CE2-CD1 4.21Å; F557-L567 HydrophobicContact CE2-CG 4.42Å; F557-F609 HydrophobicContact CD1-CE2 4.2Å; F557-F609 HydrophobicContact CD2-CD2 4.46Å; F557-F609 HydrophobicContact CD2-CE2 4.17Å; F557-F609 AromaticContact CE1-CE2 3.93Å; F557-F609 HydrophobicContact CE1-CE2 3.93Å; F557-F609 AromaticContact CE2-CD2 3.92Å; F557-F609 HydrophobicContact CE2-CD2 3.92Å; F557-F609 AromaticContact CE2-CE2 3.88Å; F557-F609 HydrophobicContact CE2-CE2 3.88Å; F557-F609 HydrophobicContact CG-CE2 4.32Å; F557-F609 HydrophobicContact CZ-CD2 4.01Å; F557-F609 AromaticContact CZ-CE2 3.75Å; F557-F609 HydrophobicContact CZ-CE2 3.75Å
558	T	98.3	Very high	94.1	Very high	45 Å²	45	40.2 Å²	40.2	28%	0.276	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.5	168	-55.2	0	0	0	0	107.6	L526 H527 V564	L526-T558 WeakPolarHBondContact CA-O 3.48Å; L526-T558 WeakPolarHBondContact CB-O 3.34Å; L526-T558 PolarHBondContact N-O 3.15Å; H527-T558 PolarHBondContact N-O 2.87Å; H527-T558 PolarHBondContact O-N 3.24Å; T558-V564 HydrophobicContact CG2-CG2 4.35Å
559	F	98.4	Very high	94.1	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	155.5	-174.8	-63.8	-92.3	0	0	0	111.3	C520 F523 A524 I525 F557 N561 G562 C563 A565 L601	C520-F559 HydrophobicContact CB-CE1 3.66Å; C520-F559 HydrophobicContact CB-CZ 4.08Å; F523-F559 HydrophobicContact CB-CD1 3.75Å; F523-F559 HydrophobicContact CB-CE1 4.03Å; A524-F559 WeakPolarHBondContact O-CA 3.48Å; I525-F559 HydrophobicContact CD1-CE1 4.15Å; I525-F559 HydrophobicContact CG1-CD1 3.77Å; I525-F559 HydrophobicContact CG1-CE1 3.43Å; I525-F559 VanDerWaalsContact CG1-CE1 3.43Å; I525-F559 HydrophobicContact CG1-CZ 4.16Å; F557-F559 HydrophobicContact CB-CD2 4.33Å; F557-F559 HydrophobicContact CB-CE2 3.56Å; F557-F559 HydrophobicContact CB-CZ 3.71Å; F557-F559 HydrophobicContact CG-CZ 4.45Å; F559-N561 WeakPolarHBondContact CB-OD1 3.34Å; F559-N561 PolarHBondContact O-N 2.94Å; F559-G562 PolarHBondContact O-N 3.39Å; F559-C563 HydrophobicContact CB-CB 4.08Å; F559-C563 HydrophobicContact CD2-CB 3.96Å; F559-C563 WeakPolarHBondContact CD2-O 3.5Å; F559-C563 HydrophobicContact CG-CB 4.31Å; F559-C563 PolarHBondContact N-O 3.14Å; F559-A565 HydrophobicContact CE2-CB 3.91Å; F559-L601 HydrophobicContact CB-CD1 4.28Å; F559-L601 HydrophobicContact CD1-CD1 3.89Å; F559-L601 HydrophobicContact CD2-CD1 3.66Å; F559-L601 HydrophobicContact CE1-CD1 4.08Å; F559-L601 HydrophobicContact CE2-CD1 3.85Å; F559-L601 HydrophobicContact CE2-CD2 4.08Å; F559-L601 HydrophobicContact CE2-CG 4.35Å; F559-L601 HydrophobicContact CG-CD1 3.67Å; F559-L601 HydrophobicContact CZ-CD1 4.05Å; F559-L601 HydrophobicContact CZ-CD2 4.44Å; F559-L601 HydrophobicContact CZ-CG 4.4Å
560	Q	97.3	Very high	93.9	Very high	139 Å²	139	37.1 Å²	37.1	65%	0.65	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.6	-178.3	-71.2	-175.2	-13.9	0	0	113.6	A524 L526 G562	A524-Q560 HydrophobicContact CB-CB 4.35Å; A524-Q560 HydrophobicContact CB-CG 3.94Å; A524-Q560 PolarHBondContact O-N 3.23Å; L526-Q560 HydrophobicContact CB-CG 4.16Å; Q560-G562 PolarHBondContact O-N 3.31Å
561	N	94.3	Very high	93.2	Very high	42 Å²	42	32.8 Å²	32.8	23%	0.225	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	7.9	178.5	68.5	-22.5	0	0	0	113.9	F523 F559 C563 E597	F523-N561 WeakPolarHBondContact CD1-ND2 3.45Å; F559-N561 WeakPolarHBondContact CB-OD1 3.34Å; F559-N561 PolarHBondContact O-N 2.94Å; N561-C563 WeakPolarHBondContact OD1-CB 3.49Å; N561-C563 PolarHBondContact OD1-N 2.03Å; N561-E597 WeakPolarHBondContact CB-OE1 3.48Å; N561-E597 PolarHBondContact ND2-OE1 3.13Å
562	G	95.6	Very high	92.4	Very high	25 Å²	25	28.7 Å²	28.7	26%	0.258	18%	0.181	S	C	.	.	S	Bend	trans	90.7	-6.3	179.6	0	0	0	0	0	114.8	F559 Q560 C583	F559-G562 PolarHBondContact O-N 3.39Å; Q560-G562 PolarHBondContact O-N 3.31Å; G562-C583 WeakPolarHBondContact O-CB 3.28Å; G562-C583 PolarHBondContact O-N 3.46Å
563	C	97.7	Very high	91.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	146.9	172.7	-79.5	0	0	0	0	112.2	F559 N561 E581 M582 L601	F559-C563 HydrophobicContact CB-CB 4.08Å; F559-C563 HydrophobicContact CD2-CB 3.96Å; F559-C563 WeakPolarHBondContact CD2-O 3.5Å; F559-C563 HydrophobicContact CG-CB 4.31Å; F559-C563 PolarHBondContact N-O 3.14Å; N561-C563 WeakPolarHBondContact OD1-CB 3.49Å; N561-C563 PolarHBondContact OD1-N 2.03Å; C563-E581 CarbonylContact C-O 3.59Å; C563-E581 VanDerWaalsContact CA-O 3.26Å; C563-E581 WeakPolarHBondContact CA-O 3.37Å; C563-M582 WeakPolarHBondContact SG-CE 3.4Å; C563-L601 HydrophobicContact CB-CD1 3.42Å; C563-L601 VanDerWaalsContact CB-CD1 3.42Å; C563-L601 HydrophobicContact CB-CD2 4.29Å; C563-L601 HydrophobicContact CB-CG 4.42Å
564	V	98.2	Very high	91.4	Very high	19 Å²	19	30.7 Å²	30.7	12%	0.115	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128	169.4	-177.2	0	0	0	0	108.1	T556 F557 T558 A580 E581	T556-V564 HydrophobicContact CG2-CG1 3.74Å; F557-V564 CarbonylContact O-C 3.54Å; F557-V564 WeakPolarHBondContact O-CA 3.48Å; T558-V564 HydrophobicContact CG2-CG2 4.35Å; V564-A580 CarbonylContact O-C 3.55Å; V564-A580 WeakPolarHBondContact O-CA 3.38Å; V564-E581 PolarHBondContact N-O 3.15Å; V564-E581 PolarHBondContact O-N 2.86Å
565	A	98.3	Very high	91.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132	176.6	0	0	0	0	0	112	T556 F557 F559 Y579 A580 L601 L605	T556-A565 CarbonylContact C-O 3.4Å; T556-A565 WeakPolarHBondContact CA-O 3.39Å; F557-A565 PolarHBondContact N-O 2.87Å; F557-A565 PolarHBondContact O-N 3.43Å; F559-A565 HydrophobicContact CE2-CB 3.91Å; A565-Y579 CarbonylContact C-O 3.54Å; A565-Y579 WeakPolarHBondContact CA-O 3.37Å; A565-A580 HydrophobicContact CB-CB 4.27Å; A565-L601 HydrophobicContact CB-CD2 4.16Å; A565-L605 HydrophobicContact CB-CD1 3.52Å
566	T	97.9	Very high	90.9	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.9	175.5	-61.3	0	0	0	0	110.5	V389 M554 I555 T556 Y578 Y579	V389-T566 HydrophobicContact CG1-CG2 3.9Å; M554-T566 HydrophobicContact CE-CG2 3.83Å; M554-T566 HydrophobicContact CG-CG2 3.99Å; I555-T566 CarbonylContact O-C 3.53Å; I555-T566 WeakPolarHBondContact O-CA 3.43Å; T556-T566 WeakPolarHBondContact CB-OG1 3.29Å; T556-T566 WeakPolarHBondContact CG2-OG1 3.35Å; T556-T566 PolarHBondContact OG1-OG1 2.86Å; T566-Y578 CarbonylContact O-C 3.59Å; T566-Y578 VanDerWaalsContact O-CA 3.23Å; T566-Y578 WeakPolarHBondContact O-CA 3.35Å; T566-Y579 PolarHBondContact N-O 3.23Å; T566-Y579 PolarHBondContact O-N 3.44Å
567	L	97.6	Very high	90.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.9	165.7	-65.5	-177.8	0	0	0	109.3	F504 L507 M554 I555 F557 K577 L605 F609 L610	F504-L567 HydrophobicContact CE1-CB 4.15Å; F504-L567 HydrophobicContact CZ-CB 4.09Å; L507-L567 HydrophobicContact CD1-CD1 3.88Å; M554-L567 CarbonylContact C-O 3.51Å; M554-L567 VanDerWaalsContact CA-O 3.28Å; M554-L567 WeakPolarHBondContact CA-O 3.37Å; I555-L567 PolarHBondContact N-O 3.35Å; I555-L567 PolarHBondContact O-N 3.29Å; F557-L567 HydrophobicContact CE2-CD1 4.21Å; F557-L567 HydrophobicContact CE2-CG 4.42Å; L567-K577 WeakPolarHBondContact CA-O 3.32Å; L567-L605 HydrophobicContact CD2-CD1 4.18Å; L567-L605 HydrophobicContact CD2-CD2 3.63Å; L567-L605 HydrophobicContact CD2-CG 4.19Å; L567-L605 HydrophobicContact CG-CD1 4.39Å; L567-F609 HydrophobicContact CD1-CB 4.13Å; L567-F609 HydrophobicContact CD1-CD2 4.48Å; L567-L610 HydrophobicContact CD1-CD2 3.99Å; L567-L610 HydrophobicContact CD2-CD1 4.12Å; L567-L610 HydrophobicContact CD2-CD2 3.94Å; L567-L610 HydrophobicContact CD2-CG 4.17Å
568	R	94.6	Very high	90.6	Very high	30 Å²	30	34.6 Å²	34.6	11%	0.113	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.3	175.7	65	-179.1	-97.2	-153.5	5.7	113.8	P410 Q553 M554 I576 K577 Y579	P410-R568 VanDerWaalsContact CG-NH1 3.33Å; Q553-R568 CarbonylContact O-C 3.57Å; Q553-R568 WeakPolarHBondContact O-CA 3.18Å; Q553-R568 WeakPolarHBondContact O-CB 3.41Å; M554-R568 HydrophobicContact CB-CB 4.1Å; M554-R568 HydrophobicContact CG-CB 4.15Å; R568-I576 CarbonylContact O-C 3.56Å; R568-K577 HydrophobicContact CG-CB 4.13Å; R568-K577 PolarHBondContact N-O 3.28Å; R568-K577 PolarHBondContact O-N 3.19Å; R568-Y579 VanDerWaalsContact CD-CE2 3.49Å; R568-Y579 HydrophobicContact CG-CD2 4.32Å; R568-Y579 HydrophobicContact CG-CE2 3.66Å; R568-Y579 PolarHBondContact NH1-OH 3.05Å
569	T	91.1	Very high	90.6	Very high	24 Å²	24	33.5 Å²	33.5	15%	0.147	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148	169.9	55.2	0	0	0	0	111.4	I500 F504 Q553 K575	I500-T569 HydrophobicContact CD1-CG2 4.45Å; I500-T569 HydrophobicContact CG2-CG2 3.37Å; F504-T569 HydrophobicContact CE2-CG2 3.97Å; F504-T569 HydrophobicContact CZ-CG2 4.43Å; Q553-T569 HydrophobicContact CB-CG2 3.68Å; Q553-T569 HydrophobicContact CG-CG2 3.92Å; Q553-T569 PolarHBondContact N-OG1 3.42Å; Q553-T569 PolarHBondContact O-N 3.23Å; T569-K575 CarbonylContact C-O 3.46Å; T569-K575 WeakPolarHBondContact CA-O 3.34Å
570	S	81.2	Confident	90.6	Very high	22 Å²	22	33.5 Å²	33.5	15%	0.154	20%	0.197	C	C	.	.			trans	-75	140.2	164	-175.9	0	0	0	0	109.4	E573 K575	S570-E573 WeakPolarHBondContact CB-O 3.38Å; S570-E573 PolarHBondContact OG-N 2.91Å; S570-K575 PolarHBondContact N-O 3.45Å
571	G	68.9	Low	90.6	Very high	76 Å²	76	27.3 Å²	27.3	78%	0.784	17%	0.168	S	C	*	.	S	Bend	trans	-80.3	-20.6	178	0	0	0	0	0	113.5
572	T	62.9	Low	90.8	Very high	73 Å²	73	25.4 Å²	25.4	45%	0.448	16%	0.158	S	C	.	.	S	Bend	trans	-118.6	-5.5	-174.5	60.1	0	0	0	0	113.2	R73	R73-T572 PolarHBondContact NH2-OG1 2.91Å
573	E	72.1	Confident	90.9	Very high	75 Å²	75	25.7 Å²	25.7	35%	0.35	16%	0.155	S	C	.	.	S	Bend	trans	-137.3	151	-175.6	-59.4	176.9	95.2	0	0	109.7	S570 K575	S570-E573 WeakPolarHBondContact CB-O 3.38Å; S570-E573 PolarHBondContact OG-N 2.91Å; E573-K575 HydrophobicContact CB-CB 4.45Å; E573-K575 HydrophobicContact CB-CD 3.95Å; E573-K575 HydrophobicContact CB-CG 4Å; E573-K575 VanDerWaalsContact CD-NZ 3.32Å; E573-K575 PolarHBondContact O-N 3.24Å; E573-K575 WeakPolarHBondContact OE1-CE 3.43Å; E573-K575 IonicContact OE1-NZ 3.83Å; E573-K575 PolarHBondContact OE1-NZ 3.37Å; E573-K575 IonicContact OE2-NZ 2.7Å; E573-K575 PolarHBondContact OE2-NZ 2.85Å
574	P	84.1	Confident	90.9	Very high	50 Å²	50	26 Å²	26	33%	0.325	16%	0.157	S	C	.	.	S	Bend	trans	-75.9	54.1	178.5	32.5	-35.7	0	0	0	111.2	L493 C494 Y495	L493-P574 CarbonylContact C-O 3.54Å; L493-P574 WeakPolarHBondContact CA-O 3.35Å; C494-P574 PolarHBondContact N-O 3.34Å; C494-P574 VanDerWaalsContact O-CB 3.29Å; C494-P574 WeakPolarHBondContact O-CB 3.39Å; Y495-P574 HydrophobicContact CD1-CB 3.91Å; Y495-P574 HydrophobicContact CD1-CG 3.66Å; Y495-P574 HydrophobicContact CE1-CB 4.22Å; Y495-P574 HydrophobicContact CE1-CG 3.49Å; Y495-P574 VanDerWaalsContact CE1-CG 3.49Å; Y495-P574 HydrophobicContact CG-CB 4.5Å
575	K	89.9	Confident	90.8	Very high	33 Å²	33	27.3 Å²	27.3	14%	0.143	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.9	-172.5	-68.3	176.5	179.3	171.7	0	111.7	Y491 F492 L493 T569 S570 E573 K577	Y491-K575 HydrophobicContact CD2-CB 4.41Å; Y491-K575 HydrophobicContact CD2-CD 3.78Å; Y491-K575 HydrophobicContact CD2-CG 3.86Å; Y491-K575 HydrophobicContact CE2-CD 3.93Å; Y491-K575 HydrophobicContact CE2-CG 4.27Å; Y491-K575 HydrophobicContact CG-CD 4.22Å; F492-K575 CarbonylContact O-C 3.59Å; F492-K575 VanDerWaalsContact O-CA 3.25Å; F492-K575 WeakPolarHBondContact O-CA 3.33Å; L493-K575 HydrophobicContact CD2-CG 3.82Å; T569-K575 CarbonylContact C-O 3.46Å; T569-K575 WeakPolarHBondContact CA-O 3.34Å; S570-K575 PolarHBondContact N-O 3.45Å; E573-K575 HydrophobicContact CB-CB 4.45Å; E573-K575 HydrophobicContact CB-CD 3.95Å; E573-K575 HydrophobicContact CB-CG 4Å; E573-K575 VanDerWaalsContact CD-NZ 3.32Å; E573-K575 PolarHBondContact O-N 3.24Å; E573-K575 WeakPolarHBondContact OE1-CE 3.43Å; E573-K575 IonicContact OE1-NZ 3.83Å; E573-K575 PolarHBondContact OE1-NZ 3.37Å; E573-K575 IonicContact OE2-NZ 2.7Å; E573-K575 PolarHBondContact OE2-NZ 2.85Å; K575-K577 HydrophobicContact CB-CG 4.48Å
576	I	94.4	Very high	90.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	112.5	162	-51.3	175.5	0	0	0	107.1	Y491 F492 C494 I500 I503 F504 R568 L610 L617	Y491-I576 CarbonylContact C-O 3.59Å; Y491-I576 WeakPolarHBondContact CA-O 3.27Å; Y491-I576 WeakPolarHBondContact CB-O 3.42Å; F492-I576 PolarHBondContact N-O 2.75Å; F492-I576 PolarHBondContact O-N 3.41Å; C494-I576 HydrophobicContact CB-CD1 4.17Å; C494-I576 HydrophobicContact CB-CG1 4.32Å; I500-I576 HydrophobicContact CD1-CG1 4.47Å; I500-I576 HydrophobicContact CG1-CD1 4.08Å; I500-I576 HydrophobicContact CG1-CG1 4.2Å; I503-I576 HydrophobicContact CD1-CD1 3.88Å; F504-I576 HydrophobicContact CE2-CG2 4.36Å; R568-I576 CarbonylContact O-C 3.56Å; I576-L610 HydrophobicContact CG2-CD2 3.88Å; I576-L617 HydrophobicContact CD1-CD1 4.33Å; I576-L617 HydrophobicContact CD1-CD2 3.96Å
577	K	94.6	Very high	90.4	Very high	53 Å²	53	36 Å²	36	23%	0.23	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.6	-179.3	-54.7	-167	173.9	-170.9	0	110.3	S490 L567 R568 K575 Y579	S490-K577 WeakPolarHBondContact O-CA 3.23Å; L567-K577 WeakPolarHBondContact CA-O 3.32Å; R568-K577 HydrophobicContact CG-CB 4.13Å; R568-K577 PolarHBondContact N-O 3.28Å; R568-K577 PolarHBondContact O-N 3.19Å; K575-K577 HydrophobicContact CB-CG 4.48Å; K577-Y579 HydrophobicContact CB-CD2 4.47Å; K577-Y579 HydrophobicContact CB-CE2 3.6Å; K577-Y579 HydrophobicContact CD-CE2 4.34Å; K577-Y579 WeakPolarHBondContact CD-OH 3.12Å
578	Y	96.3	Very high	90.2	Very high	15 Å²	15	40 Å²	40	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.7	164.8	70.6	-100.2	0	0	0	111	T489 S490 F492 T566 I602 L605 I606 L610 W619	T489-Y578 WeakPolarHBondContact CA-O 3.25Å; S490-Y578 WeakPolarHBondContact CB-OH 3.29Å; S490-Y578 PolarHBondContact N-O 2.91Å; S490-Y578 VanDerWaalsContact N-O 3.1Å; S490-Y578 PolarHBondContact O-N 3.41Å; F492-Y578 HydrophobicContact CE2-CD1 4.37Å; F492-Y578 HydrophobicContact CE2-CE1 4.18Å; T566-Y578 CarbonylContact O-C 3.59Å; T566-Y578 VanDerWaalsContact O-CA 3.23Å; T566-Y578 WeakPolarHBondContact O-CA 3.35Å; Y578-I602 HydrophobicContact CE2-CD1 4.42Å; Y578-I602 HydrophobicContact CE2-CG1 4.36Å; Y578-I602 HydrophobicContact CE2-CG2 3.77Å; Y578-L605 HydrophobicContact CG-CD2 4.36Å; Y578-I606 HydrophobicContact CE1-CD1 4.28Å; Y578-I606 HydrophobicContact CE1-CG1 4.43Å; Y578-L610 HydrophobicContact CD1-CD1 4.4Å; Y578-W619 HydrophobicContact CE1-CH2 4.18Å; Y578-W619 HydrophobicContact CE1-CZ3 4.43Å; Y578-W619 WeakPolarHBondContact OH-CH2 3.11Å
579	Y	97.5	Very high	90.1	Very high	22 Å²	22	42 Å²	42	9%	0.086	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.3	175.7	-55.8	-106.1	0	0	0	106.3	V389 E435 T489 A565 T566 R568 K577	V389-Y579 HydrophobicContact CB-CD1 3.68Å; V389-Y579 HydrophobicContact CB-CD2 4Å; V389-Y579 HydrophobicContact CB-CE1 3.93Å; V389-Y579 HydrophobicContact CB-CE2 4.27Å; V389-Y579 HydrophobicContact CB-CG 3.73Å; V389-Y579 HydrophobicContact CG1-CD1 4.41Å; V389-Y579 HydrophobicContact CG1-CD2 3.81Å; V389-Y579 HydrophobicContact CG1-CE2 4.04Å; V389-Y579 HydrophobicContact CG1-CG 4.04Å; V389-Y579 HydrophobicContact CG2-CD1 4.19Å; V389-Y579 HydrophobicContact CG2-CE1 3.98Å; E435-Y579 HydrophobicContact CG-CD1 4.35Å; E435-Y579 HydrophobicContact CG-CE1 4.2Å; E435-Y579 WeakPolarHBondContact OE1-CE1 3.2Å; T489-Y579 HydrophobicContact CG2-CD1 3.44Å; T489-Y579 VanDerWaalsContact CG2-CD1 3.44Å; T489-Y579 HydrophobicContact CG2-CE1 4.15Å; T489-Y579 HydrophobicContact CG2-CG 4.12Å; A565-Y579 CarbonylContact C-O 3.54Å; A565-Y579 WeakPolarHBondContact CA-O 3.37Å; T566-Y579 PolarHBondContact N-O 3.23Å; T566-Y579 PolarHBondContact O-N 3.44Å; R568-Y579 VanDerWaalsContact CD-CE2 3.49Å; R568-Y579 HydrophobicContact CG-CD2 4.32Å; R568-Y579 HydrophobicContact CG-CE2 3.66Å; R568-Y579 PolarHBondContact NH1-OH 3.05Å; K577-Y579 HydrophobicContact CB-CD2 4.47Å; K577-Y579 HydrophobicContact CB-CE2 3.6Å; K577-Y579 HydrophobicContact CD-CE2 4.34Å; K577-Y579 WeakPolarHBondContact CD-OH 3.12Å
580	A	98.1	Very high	90.3	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.9	-179.3	0	0	0	0	0	109.6	S487 K488 V564 A565 L598 I602	S487-A580 CarbonylContact C-O 3.54Å; S487-A580 WeakPolarHBondContact CA-O 3.41Å; K488-A580 PolarHBondContact N-O 3.13Å; K488-A580 PolarHBondContact O-N 3.47Å; V564-A580 CarbonylContact O-C 3.55Å; V564-A580 WeakPolarHBondContact O-CA 3.38Å; A565-A580 HydrophobicContact CB-CB 4.27Å; A580-L598 HydrophobicContact CB-CD1 3.84Å; A580-I602 HydrophobicContact CB-CD1 3.93Å; A580-I602 HydrophobicContact CB-CG1 3.62Å
581	E	98.4	Very high	90.9	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.8	179.5	-178.4	-177.1	-158.4	0	0	110	S391 K392 H485 I486 C563 V564 C583	S391-E581 WeakPolarHBondContact CA-OE1 3.26Å; S391-E581 VanDerWaalsContact CA-OE2 3.3Å; S391-E581 WeakPolarHBondContact CA-OE2 3.44Å; S391-E581 WeakPolarHBondContact CB-OE1 3.37Å; S391-E581 PolarHBondContact OG-OE1 2.95Å; K392-E581 WeakPolarHBondContact CG-OE2 3.37Å; K392-E581 PolarHBondContact N-OE1 2.87Å; K392-E581 VanDerWaalsContact N-OE1 3.11Å; K392-E581 PolarHBondContact N-OE2 3.22Å; H485-E581 WeakPolarHBondContact CB-OE1 3.37Å; H485-E581 IonicContact CE1-OE1 3.28Å; H485-E581 IonicContact CG-OE1 2.83Å; H485-E581 IonicContact ND1-OE1 3.51Å; H485-E581 PolarHBondContact ND1-OE1 2.8Å; I486-E581 CarbonylContact O-C 3.59Å; I486-E581 WeakPolarHBondContact O-CA 3.32Å; C563-E581 CarbonylContact C-O 3.59Å; C563-E581 VanDerWaalsContact CA-O 3.26Å; C563-E581 WeakPolarHBondContact CA-O 3.37Å; V564-E581 PolarHBondContact N-O 3.15Å; V564-E581 PolarHBondContact O-N 2.86Å; E581-C583 VanDerWaalsContact CD-SG 3.54Å
582	M	98	Very high	92.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.6	164.4	176.6	58.6	94.1	0	0	108.5	H485 I486 C563 A584 L594 E597 L598	H485-M582 WeakPolarHBondContact CA-O 3.34Å; I486-M582 HydrophobicContact CB-CB 4.45Å; I486-M582 PolarHBondContact N-O 2.98Å; I486-M582 PolarHBondContact O-N 3.47Å; C563-M582 WeakPolarHBondContact SG-CE 3.4Å; M582-A584 HydrophobicContact CG-CB 4.48Å; M582-L594 HydrophobicContact CE-CD2 4.43Å; M582-L594 HydrophobicContact CG-CB 4.1Å; M582-L594 HydrophobicContact CG-CD2 3.93Å; M582-L594 HydrophobicContact CG-CG 4.45Å; M582-L594 HydrophobicContact SD-CD2 4.44Å; M582-E597 HydrophobicContact CE-CB 3.68Å; M582-E597 HydrophobicContact CE-CG 3.47Å; M582-E597 VanDerWaalsContact CE-CG 3.47Å; M582-E597 VanDerWaalsContact CE-OE2 3.26Å; M582-E597 WeakPolarHBondContact CE-OE2 3.23Å; M582-L598 HydrophobicContact CB-CB 4.15Å; M582-L598 HydrophobicContact CB-CD1 4.36Å; M582-L598 HydrophobicContact CB-CD2 4.39Å
583	C	97.6	Very high	93.8	Very high	31 Å²	31	47.5 Å²	47.5	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	102.9	173.7	-56.4	0	0	0	0	108.5	G562 E581	G562-C583 WeakPolarHBondContact O-CB 3.28Å; G562-C583 PolarHBondContact O-N 3.46Å; E581-C583 VanDerWaalsContact CD-SG 3.54Å
584	A	97.1	Very high	95	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.041	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.8	-176.6	0	0	0	0	0	111.1	G483 Y484 M582 Q588 L594	G483-A584 CarbonylContact C-O 3.54Å; G483-A584 WeakPolarHBondContact CA-O 3.48Å; Y484-A584 PolarHBondContact N-O 3.3Å; Y484-A584 PolarHBondContact O-N 2.94Å; M582-A584 HydrophobicContact CG-CB 4.48Å; A584-Q588 HydrophobicContact CB-CB 3.95Å; A584-L594 HydrophobicContact CB-CD1 3.51Å; A584-L594 HydrophobicContact CB-CD2 3.56Å; A584-L594 HydrophobicContact CB-CG 4.19Å
585	S	95.8	Very high	95.6	Very high	47 Å²	47	46.5 Å²	46.5	33%	0.329	26%	0.262	S	S	.	.			trans	-70.6	161.3	178	54.8	0	0	0	0	111.5	D587 Q588	S585-D587 WeakPolarHBondContact CB-OD1 3.42Å; S585-D587 PolarHBondContact O-N 3.26Å; S585-D587 VanDerWaalsContact O-N 3.09Å; S585-D587 VanDerWaalsContact OG-CG 3.29Å; S585-D587 PolarHBondContact OG-OD1 3.14Å; S585-Q588 PolarHBondContact O-N 3.02Å; S585-Q588 PolarHBondContact OG-OE1 3.25Å
586	P	94.8	Very high	96	Very high	53 Å²	53	49.4 Å²	49.4	34%	0.344	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.4	179	-32.5	38.2	0	0	0	116.1	E480 Q588	E480-P586 WeakPolarHBondContact O-CB 3.48Å; P586-Q588 VanDerWaalsContact C-N 3.3Å
587	D	94.3	Very high	96.1	Very high	132 Å²	132	52.3 Å²	52.3	71%	0.706	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.8	178.6	55.4	-64.2	0	0	0	113.8	S585 S589	S585-D587 WeakPolarHBondContact CB-OD1 3.42Å; S585-D587 PolarHBondContact O-N 3.26Å; S585-D587 VanDerWaalsContact O-N 3.09Å; S585-D587 VanDerWaalsContact OG-CG 3.29Å; S585-D587 PolarHBondContact OG-OD1 3.14Å; D587-S589 PolarHBondContact O-N 3.4Å
588	Q	91.9	Very high	96.3	Very high	84 Å²	84	49.8 Å²	49.8	39%	0.393	28%	0.278	S	S	.	.			trans	-94.4	63.4	176.7	-60.9	-178.5	-73.4	0	0	110.5	A584 S585 P586 D590 L594	A584-Q588 HydrophobicContact CB-CB 3.95Å; S585-Q588 PolarHBondContact O-N 3.02Å; S585-Q588 PolarHBondContact OG-OE1 3.25Å; P586-Q588 VanDerWaalsContact C-N 3.3Å; Q588-D590 VanDerWaalsContact C-N 3.35Å; Q588-D590 PolarHBondContact O-N 3.5Å; Q588-L594 HydrophobicContact CB-CD2 4.47Å; Q588-L594 WeakPolarHBondContact O-CD1 3.27Å
589	S	92.3	Very high	96.3	Very high	73 Å²	73	54.9 Å²	54.9	51%	0.51	30%	0.301	S	S	.	.			trans	-80.4	-7.3	-169.6	63.4	0	0	0	0	115.9	Y484 D587 T591	Y484-S589 WeakPolarHBondContact OH-CB 3.43Å; D587-S589 PolarHBondContact O-N 3.4Å; S589-T591 PolarHBondContact O-N 3.37Å
590	D	95.3	Very high	96.4	Very high	84 Å²	84	59 Å²	59	45%	0.449	32%	0.319	S	S	.	.			trans	-77.9	91.3	178.4	-169.7	-27.2	0	0	0	110.7	Q588 A592 L593 L594	Q588-D590 VanDerWaalsContact C-N 3.35Å; Q588-D590 PolarHBondContact O-N 3.5Å; D590-A592 PolarHBondContact O-N 2.67Å; D590-A592 WeakPolarHBondContact OD1-CB 3.3Å; D590-A592 PolarHBondContact OD1-N 3.07Å; D590-L593 HydrophobicContact CB-CB 4.22Å; D590-L593 HydrophobicContact CB-CD1 3.94Å; D590-L593 HydrophobicContact CB-CG 4.19Å; D590-L593 PolarHBondContact O-N 3.41Å; D590-L593 PolarHBondContact OD1-N 3.38Å; D590-L593 VanDerWaalsContact OD1-N 3.15Å; D590-L593 VanDerWaalsContact OD2-CD1 3.31Å; D590-L593 WeakPolarHBondContact OD2-CD1 3.37Å; D590-L593 WeakPolarHBondContact OD2-CG 3.48Å; D590-L594 WeakPolarHBondContact O-CG 3.48Å; D590-L594 PolarHBondContact O-N 3.44Å; D590-L594 VanDerWaalsContact O-N 3.16Å
591	T	94	Very high	96.4	Very high	65 Å²	65	58.8 Å²	58.8	40%	0.399	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-26.9	-178.2	57.2	0	0	0	0	113.2	Y484 S589 L594 E595	Y484-T591 HydrophobicContact CD1-CG2 3.65Å; Y484-T591 HydrophobicContact CE1-CG2 3.8Å; S589-T591 PolarHBondContact O-N 3.37Å; T591-L594 PolarHBondContact O-N 2.98Å; T591-E595 WeakPolarHBondContact O-CB 3.28Å; T591-E595 WeakPolarHBondContact O-CG 3.24Å; T591-E595 PolarHBondContact O-N 2.87Å
592	A	96.4	Very high	96.4	Very high	60 Å²	60	59 Å²	59	50%	0.496	32%	0.319	S	S	.	.	H	α-helix	trans	-70.3	-42	179.4	0	0	0	0	0	110.7	D590 E595 E596	D590-A592 PolarHBondContact O-N 2.67Å; D590-A592 WeakPolarHBondContact OD1-CB 3.3Å; D590-A592 PolarHBondContact OD1-N 3.07Å; A592-E595 PolarHBondContact O-N 2.78Å; A592-E596 PolarHBondContact O-N 3.36Å
593	L	96.6	Very high	96.4	Very high	101 Å²	101	61.6 Å²	61.6	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-43.2	173.2	-69.7	177.6	0	0	0	111.8	D590 E595 E596 E597	D590-L593 HydrophobicContact CB-CB 4.22Å; D590-L593 HydrophobicContact CB-CD1 3.94Å; D590-L593 HydrophobicContact CB-CG 4.19Å; D590-L593 PolarHBondContact O-N 3.41Å; D590-L593 PolarHBondContact OD1-N 3.38Å; D590-L593 VanDerWaalsContact OD1-N 3.15Å; D590-L593 VanDerWaalsContact OD2-CD1 3.31Å; D590-L593 WeakPolarHBondContact OD2-CD1 3.37Å; D590-L593 WeakPolarHBondContact OD2-CG 3.48Å; L593-E595 VanDerWaalsContact C-N 3.35Å; L593-E595 PolarHBondContact O-N 3.47Å; L593-E596 PolarHBondContact O-N 3.09Å; L593-E597 WeakPolarHBondContact O-CB 3.4Å; L593-E597 PolarHBondContact O-N 2.79Å
594	L	97.1	Very high	96.4	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-40.3	176.8	-65.7	-178.4	0	0	0	112.4	Y484 I486 M582 A584 Q588 D590 T591 L598	Y484-L594 HydrophobicContact CG-CD1 4.28Å; I486-L594 HydrophobicContact CD1-CB 3.6Å; I486-L594 HydrophobicContact CD1-CD1 4.21Å; M582-L594 HydrophobicContact CE-CD2 4.43Å; M582-L594 HydrophobicContact CG-CB 4.1Å; M582-L594 HydrophobicContact CG-CD2 3.93Å; M582-L594 HydrophobicContact CG-CG 4.45Å; M582-L594 HydrophobicContact SD-CD2 4.44Å; A584-L594 HydrophobicContact CB-CD1 3.51Å; A584-L594 HydrophobicContact CB-CD2 3.56Å; A584-L594 HydrophobicContact CB-CG 4.19Å; Q588-L594 HydrophobicContact CB-CD2 4.47Å; Q588-L594 WeakPolarHBondContact O-CD1 3.27Å; D590-L594 WeakPolarHBondContact O-CG 3.48Å; D590-L594 PolarHBondContact O-N 3.44Å; D590-L594 VanDerWaalsContact O-N 3.16Å; T591-L594 PolarHBondContact O-N 2.98Å; L594-L598 WeakPolarHBondContact O-CB 3.48Å; L594-L598 PolarHBondContact O-N 3.27Å
595	E	97.1	Very high	96.4	Very high	98 Å²	98	60.4 Å²	60.4	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-42.6	174.5	-81.5	-178.7	172.9	0	0	112.2	I486 T591 A592 L593 L598 K599	I486-E595 HydrophobicContact CD1-CG 3.83Å; I486-E595 HydrophobicContact CG2-CG 3.78Å; T591-E595 WeakPolarHBondContact O-CB 3.28Å; T591-E595 WeakPolarHBondContact O-CG 3.24Å; T591-E595 PolarHBondContact O-N 2.87Å; A592-E595 PolarHBondContact O-N 2.78Å; L593-E595 VanDerWaalsContact C-N 3.35Å; L593-E595 PolarHBondContact O-N 3.47Å; E595-L598 PolarHBondContact O-N 2.92Å; E595-K599 WeakPolarHBondContact O-CB 3.35Å; E595-K599 PolarHBondContact O-N 3.4Å
596	E	97.4	Very high	96.5	Very high	93 Å²	93	59.2 Å²	59.2	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-43.3	177.4	-167.8	-170.5	155.2	0	0	111.4	A592 L593 K599 K600	A592-E596 PolarHBondContact O-N 3.36Å; L593-E596 PolarHBondContact O-N 3.09Å; E596-K599 WeakPolarHBondContact O-CB 2.77Å; E596-K599 PolarHBondContact O-N 2.96Å; E596-K600 WeakPolarHBondContact O-CG 3.37Å; E596-K600 PolarHBondContact O-N 3.21Å; E596-K600 WeakPolarHBondContact OE1-CE 3.31Å; E596-K600 IonicContact OE1-NZ 2.73Å; E596-K600 PolarHBondContact OE1-NZ 2.88Å
597	E	97.1	Very high	96.6	Very high	61 Å²	61	63.1 Å²	63.1	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-43.5	177.5	-171.4	171.3	-174.4	0	0	111.9	F523 N561 M582 L593 K599 K600 L601	F523-E597 HydrophobicContact CE1-CG 4.19Å; N561-E597 WeakPolarHBondContact CB-OE1 3.48Å; N561-E597 PolarHBondContact ND2-OE1 3.13Å; M582-E597 HydrophobicContact CE-CB 3.68Å; M582-E597 HydrophobicContact CE-CG 3.47Å; M582-E597 VanDerWaalsContact CE-CG 3.47Å; M582-E597 VanDerWaalsContact CE-OE2 3.26Å; M582-E597 WeakPolarHBondContact CE-OE2 3.23Å; L593-E597 WeakPolarHBondContact O-CB 3.4Å; L593-E597 PolarHBondContact O-N 2.79Å; E597-K599 VanDerWaalsContact C-N 3.31Å; E597-K599 PolarHBondContact O-N 2.93Å; E597-K600 PolarHBondContact O-N 3.34Å; E597-L601 PolarHBondContact O-N 2.93Å
598	L	98.1	Very high	96.8	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-43.3	173.6	-178.3	58.9	0	0	0	111.4	I486 K488 A580 M582 L594 E595 L601 I602	I486-L598 HydrophobicContact CB-CD2 4.3Å; I486-L598 HydrophobicContact CG2-CD2 3.97Å; I486-L598 WeakPolarHBondContact O-CD2 3.37Å; K488-L598 HydrophobicContact CB-CD2 4.48Å; K488-L598 HydrophobicContact CG-CD2 3.91Å; A580-L598 HydrophobicContact CB-CD1 3.84Å; M582-L598 HydrophobicContact CB-CB 4.15Å; M582-L598 HydrophobicContact CB-CD1 4.36Å; M582-L598 HydrophobicContact CB-CD2 4.39Å; L594-L598 WeakPolarHBondContact O-CB 3.48Å; L594-L598 PolarHBondContact O-N 3.27Å; E595-L598 PolarHBondContact O-N 2.92Å; L598-L601 PolarHBondContact O-N 3.29Å; L598-I602 HydrophobicContact CD1-CD1 4.22Å; L598-I602 HydrophobicContact CD1-CG1 4.45Å; L598-I602 HydrophobicContact CG-CD1 3.93Å; L598-I602 VanDerWaalsContact O-CG1 3.3Å; L598-I602 WeakPolarHBondContact O-CG1 3.49Å; L598-I602 PolarHBondContact O-N 3.18Å
599	K	97.9	Very high	97	Very high	121 Å²	121	55.7 Å²	55.7	53%	0.526	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-48.1	176.7	-178.8	-176.4	177.6	-64.6	0	111.1	E595 E596 E597 L601 I602 D603	E595-K599 WeakPolarHBondContact O-CB 3.35Å; E595-K599 PolarHBondContact O-N 3.4Å; E596-K599 WeakPolarHBondContact O-CB 2.77Å; E596-K599 PolarHBondContact O-N 2.96Å; E597-K599 VanDerWaalsContact C-N 3.31Å; E597-K599 PolarHBondContact O-N 2.93Å; K599-L601 VanDerWaalsContact C-N 3.26Å; K599-L601 PolarHBondContact O-N 2.91Å; K599-I602 PolarHBondContact O-N 2.96Å; K599-I602 VanDerWaalsContact O-N 3.15Å; K599-D603 IonicContact NZ-OD2 2.69Å; K599-D603 PolarHBondContact NZ-OD2 2.92Å; K599-D603 VanDerWaalsContact O-CG 3.25Å; K599-D603 PolarHBondContact O-N 3.1Å
600	K	98.2	Very high	97.2	Very high	108 Å²	108	52.2 Å²	52.2	47%	0.47	27%	0.267	S	S	.	.	H	α-helix	trans	-58	-39.2	177.2	-73	171.3	-176.8	163.6	0	112	F523 E596 E597 A604	F523-K600 HydrophobicContact CE2-CB 4.13Å; F523-K600 HydrophobicContact CZ-CB 3.74Å; E596-K600 WeakPolarHBondContact O-CG 3.37Å; E596-K600 PolarHBondContact O-N 3.21Å; E596-K600 WeakPolarHBondContact OE1-CE 3.31Å; E596-K600 IonicContact OE1-NZ 2.73Å; E596-K600 PolarHBondContact OE1-NZ 2.88Å; E597-K600 PolarHBondContact O-N 3.34Å; K600-A604 WeakPolarHBondContact O-CB 3.23Å; K600-A604 PolarHBondContact O-N 3.24Å
601	L	98.3	Very high	97.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.9	-40.3	176.6	-178.1	139.1	0	0	0	112.6	F523 F559 C563 A565 E597 L598 K599 A604 L605	F523-L601 HydrophobicContact CB-CD1 4.14Å; F523-L601 HydrophobicContact CD1-CB 4.41Å; F523-L601 HydrophobicContact CD1-CD1 3.9Å; F523-L601 HydrophobicContact CD2-CB 4.17Å; F523-L601 HydrophobicContact CD2-CD1 4.37Å; F523-L601 HydrophobicContact CD2-CG 4.37Å; F523-L601 HydrophobicContact CE1-CB 4.2Å; F523-L601 HydrophobicContact CE1-CD1 4.41Å; F523-L601 VanDerWaalsContact CE2-CA 3.48Å; F523-L601 HydrophobicContact CE2-CB 3.96Å; F523-L601 HydrophobicContact CG-CB 4.4Å; F523-L601 HydrophobicContact CG-CD1 3.88Å; F523-L601 HydrophobicContact CG-CG 4.36Å; F523-L601 HydrophobicContact CZ-CB 3.96Å; F559-L601 HydrophobicContact CB-CD1 4.28Å; F559-L601 HydrophobicContact CD1-CD1 3.89Å; F559-L601 HydrophobicContact CD2-CD1 3.66Å; F559-L601 HydrophobicContact CE1-CD1 4.08Å; F559-L601 HydrophobicContact CE2-CD1 3.85Å; F559-L601 HydrophobicContact CE2-CD2 4.08Å; F559-L601 HydrophobicContact CE2-CG 4.35Å; F559-L601 HydrophobicContact CG-CD1 3.67Å; F559-L601 HydrophobicContact CZ-CD1 4.05Å; F559-L601 HydrophobicContact CZ-CD2 4.44Å; F559-L601 HydrophobicContact CZ-CG 4.4Å; C563-L601 HydrophobicContact CB-CD1 3.42Å; C563-L601 VanDerWaalsContact CB-CD1 3.42Å; C563-L601 HydrophobicContact CB-CD2 4.29Å; C563-L601 HydrophobicContact CB-CG 4.42Å; A565-L601 HydrophobicContact CB-CD2 4.16Å; E597-L601 PolarHBondContact O-N 2.93Å; L598-L601 PolarHBondContact O-N 3.29Å; K599-L601 VanDerWaalsContact C-N 3.26Å; K599-L601 PolarHBondContact O-N 2.91Å; L601-A604 PolarHBondContact O-N 3.1Å; L601-L605 WeakPolarHBondContact O-CB 3.36Å; L601-L605 PolarHBondContact O-N 3.42Å
602	I	98.2	Very high	97.4	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.067	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-46.3	174.2	-70.7	165.1	0	0	0	110.3	K488 Y578 A580 L598 K599 A604 L605 I606	K488-I602 HydrophobicContact CB-CD1 3.61Å; K488-I602 HydrophobicContact CG-CD1 4.03Å; Y578-I602 HydrophobicContact CE2-CD1 4.42Å; Y578-I602 HydrophobicContact CE2-CG1 4.36Å; Y578-I602 HydrophobicContact CE2-CG2 3.77Å; A580-I602 HydrophobicContact CB-CD1 3.93Å; A580-I602 HydrophobicContact CB-CG1 3.62Å; L598-I602 HydrophobicContact CD1-CD1 4.22Å; L598-I602 HydrophobicContact CD1-CG1 4.45Å; L598-I602 HydrophobicContact CG-CD1 3.93Å; L598-I602 VanDerWaalsContact O-CG1 3.3Å; L598-I602 WeakPolarHBondContact O-CG1 3.49Å; L598-I602 PolarHBondContact O-N 3.18Å; K599-I602 PolarHBondContact O-N 2.96Å; K599-I602 VanDerWaalsContact O-N 3.15Å; I602-A604 VanDerWaalsContact C-N 3.33Å; I602-A604 PolarHBondContact O-N 3.45Å; I602-L605 PolarHBondContact O-N 3.16Å; I602-I606 HydrophobicContact CG2-CD1 3.65Å; I602-I606 HydrophobicContact CG2-CG1 4.4Å; I602-I606 VanDerWaalsContact O-CG1 3.28Å; I602-I606 WeakPolarHBondContact O-CG1 3.42Å; I602-I606 PolarHBondContact O-N 3.44Å
603	D	98	Very high	97.4	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	26%	0.263	S	S	.	.	H	α-helix	trans	-58.3	-46.9	176.8	-66.9	-19.4	0	0	0	109.7	K599 L605 I606 E607	K599-D603 IonicContact NZ-OD2 2.69Å; K599-D603 PolarHBondContact NZ-OD2 2.92Å; K599-D603 VanDerWaalsContact O-CG 3.25Å; K599-D603 PolarHBondContact O-N 3.1Å; D603-L605 PolarHBondContact O-N 3.22Å; D603-I606 PolarHBondContact O-N 2.91Å; D603-E607 WeakPolarHBondContact O-CB 3.37Å; D603-E607 WeakPolarHBondContact O-CG 3.39Å; D603-E607 PolarHBondContact O-N 3.03Å
604	A	98.1	Very high	97.3	Very high	10 Å²	10	54 Å²	54	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-41.4	175.5	0	0	0	0	0	113	C520 F523 K600 L601 I602 E607 N608	C520-A604 VanDerWaalsContact SG-C 3.53Å; F523-A604 HydrophobicContact CD2-CB 4.03Å; F523-A604 HydrophobicContact CE2-CB 4.17Å; K600-A604 WeakPolarHBondContact O-CB 3.23Å; K600-A604 PolarHBondContact O-N 3.24Å; L601-A604 PolarHBondContact O-N 3.1Å; I602-A604 VanDerWaalsContact C-N 3.33Å; I602-A604 PolarHBondContact O-N 3.45Å; A604-E607 PolarHBondContact O-N 2.96Å; A604-N608 WeakPolarHBondContact O-CB 3.29Å; A604-N608 PolarHBondContact O-N 3.45Å; A604-N608 PolarHBondContact O-ND2 3.31Å
605	L	97.8	Very high	97.3	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.274	C	S	.	.	I	π-helix	trans	-65.9	-40.3	177.8	173.4	150.4	0	0	0	111.5	C520 A565 L567 Y578 L601 I602 D603 F609 L610	C520-L605 WeakPolarHBondContact SG-CA 3.49Å; C520-L605 PolarHBondContact SG-N 3.23Å; A565-L605 HydrophobicContact CB-CD1 3.52Å; L567-L605 HydrophobicContact CD2-CD1 4.18Å; L567-L605 HydrophobicContact CD2-CD2 3.63Å; L567-L605 HydrophobicContact CD2-CG 4.19Å; L567-L605 HydrophobicContact CG-CD1 4.39Å; Y578-L605 HydrophobicContact CG-CD2 4.36Å; L601-L605 WeakPolarHBondContact O-CB 3.36Å; L601-L605 PolarHBondContact O-N 3.42Å; I602-L605 PolarHBondContact O-N 3.16Å; D603-L605 PolarHBondContact O-N 3.22Å; L605-F609 HydrophobicContact CG-CD2 4.39Å; L605-F609 WeakPolarHBondContact O-CA 3.45Å; L605-F609 VanDerWaalsContact O-CB 3.27Å; L605-F609 WeakPolarHBondContact O-CB 3.27Å; L605-F609 PolarHBondContact O-N 3.32Å; L605-L610 HydrophobicContact CD2-CD1 4.15Å; L605-L610 HydrophobicContact CD2-CG 4.42Å; L605-L610 PolarHBondContact O-N 2.93Å; L605-L610 VanDerWaalsContact O-N 3.09Å
606	I	97.6	Very high	97.2	Very high	22 Å²	22	53.1 Å²	53.1	11%	0.113	28%	0.281	C	S	.	.	I	π-helix	trans	-63.7	-53.2	174.8	-69.2	162.7	0	0	0	109.8	F492 Y578 I602 D603 L610 Q611 P612 W619	F492-I606 HydrophobicContact CE2-CG1 4.15Å; F492-I606 HydrophobicContact CE2-CG2 4.48Å; F492-I606 HydrophobicContact CZ-CG1 4.21Å; F492-I606 HydrophobicContact CZ-CG2 3.82Å; Y578-I606 HydrophobicContact CE1-CD1 4.28Å; Y578-I606 HydrophobicContact CE1-CG1 4.43Å; I602-I606 HydrophobicContact CG2-CD1 3.65Å; I602-I606 HydrophobicContact CG2-CG1 4.4Å; I602-I606 VanDerWaalsContact O-CG1 3.28Å; I602-I606 WeakPolarHBondContact O-CG1 3.42Å; I602-I606 PolarHBondContact O-N 3.44Å; D603-I606 PolarHBondContact O-N 2.91Å; I606-L610 CarbonylContact O-C 3.53Å; I606-L610 PolarHBondContact O-N 3.38Å; I606-Q611 PolarHBondContact O-N 2.82Å; I606-P612 HydrophobicContact CG2-CG 3.6Å; I606-P612 VanDerWaalsContact O-CD 3.29Å; I606-P612 WeakPolarHBondContact O-CD 3.3Å; I606-W619 HydrophobicContact CD1-CH2 3.93Å; I606-W619 HydrophobicContact CD1-CZ3 3.71Å; I606-W619 HydrophobicContact CG1-CZ3 4.49Å
607	E	97.4	Very high	97.1	Very high	135 Å²	135	49.3 Å²	49.3	63%	0.631	26%	0.264	S	S	*	.	I	π-helix	trans	-67.5	-42.5	-174.4	-71.2	175.9	-179.2	0	0	113.1	D603 A604 Q611	D603-E607 WeakPolarHBondContact O-CB 3.37Å; D603-E607 WeakPolarHBondContact O-CG 3.39Å; D603-E607 PolarHBondContact O-N 3.03Å; A604-E607 PolarHBondContact O-N 2.96Å; E607-Q611 WeakPolarHBondContact O-CG 3.4Å
608	N	97.2	Very high	96.9	Very high	59 Å²	59	50.9 Å²	50.9	32%	0.316	27%	0.273	S	S	.	.	I	π-helix	trans	-93.4	-35.8	-171.4	-63.3	-83.1	0	0	0	112.7	R506 A604 Q611	R506-N608 PolarHBondContact NH1-O 3.28Å; R506-N608 VanDerWaalsContact NH1-O 3.12Å; R506-N608 PolarHBondContact NH2-O 3.1Å; A604-N608 WeakPolarHBondContact O-CB 3.29Å; A604-N608 PolarHBondContact O-N 3.45Å; A604-N608 PolarHBondContact O-ND2 3.31Å; N608-Q611 PolarHBondContact O-NE2 3.09Å
609	F	97.4	Very high	96.6	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.293	C	S	.	.	I	π-helix	trans	-102	-44.4	-174.7	-63.6	-7.7	0	0	0	113	R506 L507 F510 P517 C520 I525 F557 L567 L605	R506-F609 PolarHBondContact NH2-O 3.15Å; L507-F609 HydrophobicContact CD1-CB 4.44Å; L507-F609 HydrophobicContact CD2-CB 3.88Å; L507-F609 HydrophobicContact CD2-CD1 3.69Å; L507-F609 HydrophobicContact CD2-CD2 4.2Å; L507-F609 HydrophobicContact CD2-CE1 4.26Å; L507-F609 HydrophobicContact CD2-CG 3.67Å; F510-F609 HydrophobicContact CE2-CD1 4.26Å; F510-F609 HydrophobicContact CE2-CE1 4.11Å; F510-F609 HydrophobicContact CZ-CE1 4.18Å; P517-F609 HydrophobicContact CB-CE1 3.87Å; P517-F609 HydrophobicContact CB-CZ 3.75Å; P517-F609 HydrophobicContact CG-CE1 3.82Å; P517-F609 HydrophobicContact CG-CE2 4.17Å; P517-F609 HydrophobicContact CG-CZ 3.46Å; P517-F609 VanDerWaalsContact CG-CZ 3.46Å; C520-F609 HydrophobicContact CB-CE1 4.08Å; C520-F609 HydrophobicContact CB-CE2 3.79Å; C520-F609 HydrophobicContact CB-CZ 3.47Å; C520-F609 VanDerWaalsContact CB-CZ 3.47Å; I525-F609 HydrophobicContact CD1-CE2 4.24Å; I525-F609 HydrophobicContact CD1-CZ 3.84Å; F557-F609 HydrophobicContact CD1-CE2 4.2Å; F557-F609 HydrophobicContact CD2-CD2 4.46Å; F557-F609 HydrophobicContact CD2-CE2 4.17Å; F557-F609 AromaticContact CE1-CE2 3.93Å; F557-F609 HydrophobicContact CE1-CE2 3.93Å; F557-F609 AromaticContact CE2-CD2 3.92Å; F557-F609 HydrophobicContact CE2-CD2 3.92Å; F557-F609 AromaticContact CE2-CE2 3.88Å; F557-F609 HydrophobicContact CE2-CE2 3.88Å; F557-F609 HydrophobicContact CG-CE2 4.32Å; F557-F609 HydrophobicContact CZ-CD2 4.01Å; F557-F609 AromaticContact CZ-CE2 3.75Å; F557-F609 HydrophobicContact CZ-CE2 3.75Å; L567-F609 HydrophobicContact CD1-CB 4.13Å; L567-F609 HydrophobicContact CD1-CD2 4.48Å; L605-F609 HydrophobicContact CG-CD2 4.39Å; L605-F609 WeakPolarHBondContact O-CA 3.45Å; L605-F609 VanDerWaalsContact O-CB 3.27Å; L605-F609 WeakPolarHBondContact O-CB 3.27Å; L605-F609 PolarHBondContact O-N 3.32Å
610	L	96.8	Very high	95.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-85.4	-30.1	179.3	-64	-179.7	0	0	0	112.9	F492 L567 I576 Y578 L605 I606 N615 L617	F492-L610 HydrophobicContact CD2-CD1 3.7Å; F492-L610 HydrophobicContact CE2-CD1 3.5Å; F492-L610 HydrophobicContact CZ-CD1 4.48Å; L567-L610 HydrophobicContact CD1-CD2 3.99Å; L567-L610 HydrophobicContact CD2-CD1 4.12Å; L567-L610 HydrophobicContact CD2-CD2 3.94Å; L567-L610 HydrophobicContact CD2-CG 4.17Å; I576-L610 HydrophobicContact CG2-CD2 3.88Å; Y578-L610 HydrophobicContact CD1-CD1 4.4Å; L605-L610 HydrophobicContact CD2-CD1 4.15Å; L605-L610 HydrophobicContact CD2-CG 4.42Å; L605-L610 PolarHBondContact O-N 2.93Å; L605-L610 VanDerWaalsContact O-N 3.09Å; I606-L610 CarbonylContact O-C 3.53Å; I606-L610 PolarHBondContact O-N 3.38Å; L610-N615 PolarHBondContact O-ND2 2.93Å; L610-L617 HydrophobicContact CB-CD1 3.95Å; L610-L617 WeakPolarHBondContact O-CD1 3.45Å
611	Q	97.2	Very high	93.8	Very high	47 Å²	47	54.6 Å²	54.6	22%	0.22	30%	0.297	C	S	.	.			trans	42	58.3	-178.9	-67.3	175.4	-16.5	0	0	113	I606 E607 N608 S613 K614 N615	I606-Q611 PolarHBondContact O-N 2.82Å; E607-Q611 WeakPolarHBondContact O-CG 3.4Å; N608-Q611 PolarHBondContact O-NE2 3.09Å; Q611-S613 PolarHBondContact O-N 2.98Å; Q611-K614 HydrophobicContact CB-CB 4.07Å; Q611-K614 PolarHBondContact O-N 3.36Å; Q611-N615 PolarHBondContact O-N 2.85Å; Q611-N615 PolarHBondContact O-ND2 2.81Å
612	P	96.4	Very high	91.1	Very high	22 Å²	22	63.7 Å²	63.7	14%	0.143	35%	0.352	C	S	.	.	H	α-helix	trans	-51.7	-47.6	-169	-30	36.1	0	0	0	114.7	F492 I606 K614 N615 G616 L617	F492-P612 HydrophobicContact CD1-CB 4.34Å; F492-P612 HydrophobicContact CD1-CG 4.25Å; F492-P612 HydrophobicContact CE1-CB 3.7Å; F492-P612 HydrophobicContact CE1-CG 3.35Å; F492-P612 HydrophobicContact CE2-CG 4.46Å; F492-P612 HydrophobicContact CZ-CB 4.32Å; F492-P612 HydrophobicContact CZ-CG 3.47Å; F492-P612 VanDerWaalsContact CZ-CG 3.47Å; I606-P612 HydrophobicContact CG2-CG 3.6Å; I606-P612 VanDerWaalsContact O-CD 3.29Å; I606-P612 WeakPolarHBondContact O-CD 3.3Å; P612-K614 VanDerWaalsContact C-N 3.3Å; P612-K614 PolarHBondContact O-N 2.6Å; P612-N615 CarbonylContact O-C 3.5Å; P612-N615 PolarHBondContact O-N 2.95Å; P612-G616 WeakPolarHBondContact O-CA 3.5Å; P612-G616 PolarHBondContact O-N 3.15Å; P612-L617 HydrophobicContact CB-CB 3.97Å; P612-L617 HydrophobicContact CG-CD1 4.48Å; P612-L617 PolarHBondContact O-N 3.06Å
613	S	94.6	Very high	90.8	Very high	128 Å²	128	66.2 Å²	66.2	90%	0.895	37%	0.367	S	S	*	.	H	α-helix	trans	-62.9	-35.3	-179.1	-47.6	0	0	0	0	112.8	Q611	Q611-S613 PolarHBondContact O-N 2.98Å
614	K	96.3	Very high	90.4	Very high	150 Å²	150	66.7 Å²	66.7	65%	0.652	37%	0.37	S	S	*	.	H	α-helix	trans	-76.2	-35.2	178.1	-178.3	-179.9	171	-174.5	0	112	Q611 P612	Q611-K614 HydrophobicContact CB-CB 4.07Å; Q611-K614 PolarHBondContact O-N 3.36Å; P612-K614 VanDerWaalsContact C-N 3.3Å; P612-K614 PolarHBondContact O-N 2.6Å
615	N	96	Very high	90	Very high	28 Å²	28	69.8 Å²	69.8	15%	0.15	39%	0.386	C	S	.	.	H	α-helix	trans	-99.4	6.5	-174.2	-66	-42.4	0	0	0	113.2	T499 I503 L610 Q611 P612 L617	T499-N615 HydrophobicContact CG2-CB 3.86Å; T499-N615 WeakPolarHBondContact CG2-O 3.37Å; I503-N615 HydrophobicContact CD1-CB 3.95Å; I503-N615 HydrophobicContact CG1-CB 4.37Å; I503-N615 WeakPolarHBondContact CG1-ND2 3.42Å; L610-N615 PolarHBondContact O-ND2 2.93Å; Q611-N615 PolarHBondContact O-N 2.85Å; Q611-N615 PolarHBondContact O-ND2 2.81Å; P612-N615 CarbonylContact O-C 3.5Å; P612-N615 PolarHBondContact O-N 2.95Å; N615-L617 HydrophobicContact CB-CD1 4.45Å; N615-L617 HydrophobicContact CB-CD2 4.16Å; N615-L617 HydrophobicContact CB-CG 3.9Å; N615-L617 PolarHBondContact O-N 3.14Å
616	G	94.7	Very high	89.5	Confident	58 Å²	58	73.9 Å²	73.9	60%	0.598	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	31.5	-178.6	0	0	0	0	0	113.6	P612	P612-G616 WeakPolarHBondContact O-CA 3.5Å; P612-G616 PolarHBondContact O-N 3.15Å
617	L	95.3	Very high	89	Confident	14 Å²	14	77.1 Å²	77.1	7%	0.073	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-77.8	131.9	179.6	-52.2	-178	0	0	0	109.9	F492 C494 I503 I576 L610 P612 N615	F492-L617 HydrophobicContact CB-CB 4.02Å; F492-L617 HydrophobicContact CB-CD1 4.44Å; F492-L617 HydrophobicContact CD1-CB 3.67Å; F492-L617 HydrophobicContact CD1-CD1 4.5Å; F492-L617 HydrophobicContact CE1-CB 4.4Å; F492-L617 HydrophobicContact CG-CB 4.09Å; F492-L617 HydrophobicContact CG-CD1 4.35Å; C494-L617 HydrophobicContact CB-CD2 3.71Å; I503-L617 HydrophobicContact CD1-CD1 4.19Å; I503-L617 HydrophobicContact CD1-CD2 4.08Å; I576-L617 HydrophobicContact CD1-CD1 4.33Å; I576-L617 HydrophobicContact CD1-CD2 3.96Å; L610-L617 HydrophobicContact CB-CD1 3.95Å; L610-L617 WeakPolarHBondContact O-CD1 3.45Å; P612-L617 HydrophobicContact CB-CB 3.97Å; P612-L617 HydrophobicContact CG-CD1 4.48Å; P612-L617 PolarHBondContact O-N 3.06Å; N615-L617 HydrophobicContact CB-CD1 4.45Å; N615-L617 HydrophobicContact CB-CD2 4.16Å; N615-L617 HydrophobicContact CB-CG 3.9Å; N615-L617 PolarHBondContact O-N 3.14Å
618	I	94.3	Very high	88.5	Confident	93 Å²	93	73.3 Å²	73.3	48%	0.477	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.6	-179.5	-55.3	168.5	0	0	0	108.1	F492 L493 Y495	F492-I618 CarbonylContact C-O 3.58Å; F492-I618 VanDerWaalsContact CA-O 3.31Å; F492-I618 WeakPolarHBondContact CA-O 3.22Å; L493-I618 HydrophobicContact CB-CB 4.22Å; L493-I618 PolarHBondContact N-O 3.19Å; L493-I618 PolarHBondContact O-N 3.35Å; Y495-I618 HydrophobicContact CD2-CD1 4.48Å; Y495-I618 HydrophobicContact CE2-CD1 4.19Å
619	W	90.9	Very high	87.8	Confident	115 Å²	115	74.3 Å²	74.3	44%	0.436	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	146.3	174.9	-170.1	-98.9	0	0	0	110.1	F492 Y578 I606 S621	F492-W619 HydrophobicContact CD1-CE3 4.09Å; F492-W619 HydrophobicContact CE1-CD2 4.34Å; F492-W619 AromaticContact CE1-CE3 3.3Å; F492-W619 HydrophobicContact CE1-CE3 3.3Å; F492-W619 AromaticContact CE1-CZ3 3.87Å; F492-W619 HydrophobicContact CE1-CZ3 3.87Å; F492-W619 AromaticContact CE2-CE3 3.9Å; F492-W619 HydrophobicContact CE2-CE3 3.9Å; F492-W619 AromaticContact CE2-CZ3 3.65Å; F492-W619 HydrophobicContact CE2-CZ3 3.65Å; F492-W619 HydrophobicContact CZ-CD2 4.47Å; F492-W619 AromaticContact CZ-CE3 3.2Å; F492-W619 HydrophobicContact CZ-CE3 3.2Å; F492-W619 AromaticContact CZ-CZ3 3.22Å; F492-W619 HydrophobicContact CZ-CZ3 3.22Å; Y578-W619 HydrophobicContact CE1-CH2 4.18Å; Y578-W619 HydrophobicContact CE1-CZ3 4.43Å; Y578-W619 WeakPolarHBondContact OH-CH2 3.11Å; I606-W619 HydrophobicContact CD1-CH2 3.93Å; I606-W619 HydrophobicContact CD1-CZ3 3.71Å; I606-W619 HydrophobicContact CG1-CZ3 4.49Å; W619-S621 PolarHBondContact O-N 3.24Å; W619-S621 VanDerWaalsContact O-N 3.14Å
620	R	81.4	Confident	87.1	Confident	85 Å²	85	79.9 Å²	79.9	32%	0.321	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-55.7	123.6	173.4	70.2	176.6	-171.5	-167	-5.4	109.3	T489 S490 Y491 V622	T489-R620 PolarHBondContact O-NH1 3.2Å; S490-R620 VanDerWaalsContact OG-CD 3.25Å; S490-R620 WeakPolarHBondContact OG-CD 3.31Å; S490-R620 VanDerWaalsContact OG-CZ 3.23Å; S490-R620 PolarHBondContact OG-NE 3.34Å; S490-R620 VanDerWaalsContact OG-NE 3.1Å; Y491-R620 HydrophobicContact CD1-CB 4.42Å; Y491-R620 HydrophobicContact CD2-CB 4.02Å; Y491-R620 HydrophobicContact CE1-CB 3.98Å; Y491-R620 HydrophobicContact CE1-CG 4.47Å; Y491-R620 HydrophobicContact CE2-CB 3.53Å; Y491-R620 HydrophobicContact CG-CB 4.43Å; Y491-R620 VanDerWaalsContact CZ-CB 3.5Å; Y491-R620 PolarHBondContact O-N 3.49Å; R620-V622 PolarHBondContact O-N 3.27Å
621	S	56.5	Low	86.3	Confident	108 Å²	108	86.6 Å²	86.6	76%	0.755	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-65.2	119.6	167.6	51	0	0	0	0	107.3	W619	W619-S621 PolarHBondContact O-N 3.24Å; W619-S621 VanDerWaalsContact O-N 3.14Å
622	V	42.1	Very low	85.3	Confident	191 Å²	191	90.2 Å²	90.2	100%	1.158	51%	0.514	S	S	*	.			trans	-67.3	0	171.6	-177.1	0	0	0	0	109	R620	R620-V622 PolarHBondContact O-N 3.27Å

Retrieved 622 of 622 residues in 735.5 ms (Link to these results)

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