A0A060W9S4_ONCMY Loading...

rRNA methyltransferase 2, mitochondrial

S-adenosyl-L-methionine-dependent 2'-O-ribose methyltransferase that catalyzes the formation of 2'-O-methyluridine at position 1369 (Um1369) in the 16S mitochondrial large subunit ribosomal RNA (mtLSU rRNA), a universally conserved modification in the peptidyl transferase domain of the mtLSU rRNA. This activity may require prior 2'-O-methylguanosine modification at position 1370 (Gm1370) by MRM3. Essential for late-stage assembly of mtLSU required for efficient translation of mitochondrial DNA encoded proteins; methyltransferase activity is not required for this function. Essential for mitochondrial respiratory function.

AlphaFold DB , UniProt , Accession A0A060W9S4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rrmj2, Length 244 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	38.1	Very low	223 Å²	223	168.4 Å²	168.4	100%	1.099	81%	0.809	S	S	*	*				0	81.1	0	-166.3	179.3	-152.3	0	0	109
2	W	30.6	Very low	38.1	Very low	262 Å²	262	169.8 Å²	169.8	99%	0.992	81%	0.813	S	S	*	*			trans	-144.8	115.2	162.5	-83.1	82.9	0	0	0	106.6
3	Y	35.8	Very low	38.5	Very low	217 Å²	217	165.8 Å²	165.8	85%	0.851	81%	0.807	S	S	*	*			trans	-76.6	139.7	-172.1	-104.2	-103.3	0	0	0	111.4
4	S	41.4	Very low	38.6	Very low	91 Å²	91	160.1 Å²	160.1	64%	0.636	79%	0.792	S	S	*	*			trans	-54.2	128.2	162.5	159.8	0	0	0	0	111.5
5	V	40.4	Very low	38.9	Very low	128 Å²	128	158.1 Å²	158.1	78%	0.776	79%	0.792	S	S	*	*			trans	-122.3	86.8	158.9	-177.6	0	0	0	0	107.4	Q7	V5-Q7 HydrophobicContact CG1-CG 4.42Å; V5-Q7 PolarHBondContact O-N 2.97Å
6	L	40.8	Very low	39	Very low	155 Å²	155	158.8 Å²	158.8	81%	0.812	79%	0.791	S	S	*	*			trans	-77	91.8	163.9	-82.1	162.1	0	0	0	108.4	K8	L6-K8 PolarHBondContact O-N 3.31Å
7	Q	39.3	Very low	39.3	Very low	170 Å²	170	155.6 Å²	155.6	79%	0.794	78%	0.782	S	S	*	*			trans	-69.9	106.9	159.3	-91.1	-177.3	-38.8	0	0	108.2	V5 S9	V5-Q7 HydrophobicContact CG1-CG 4.42Å; V5-Q7 PolarHBondContact O-N 2.97Å; Q7-S9 VanDerWaalsContact C-N 3.33Å; Q7-S9 PolarHBondContact O-N 2.83Å
8	K	38.2	Very low	39.6	Very low	166 Å²	166	156.3 Å²	156.3	72%	0.722	79%	0.787	S	S	*	*			trans	-68	93.6	162.9	-83.3	-179.7	176.2	176.4	0	108.4	L6 Y10	L6-K8 PolarHBondContact O-N 3.31Å; K8-Y10 HydrophobicContact CB-CD2 4.3Å; K8-Y10 HydrophobicContact CB-CE2 3.94Å; K8-Y10 HydrophobicContact CD-CE2 4.32Å; K8-Y10 PolarHBondContact O-N 3.4Å; K8-Y10 VanDerWaalsContact O-N 3.17Å
9	S	38.9	Very low	40	Very low	99 Å²	99	156.7 Å²	156.7	69%	0.692	78%	0.784	S	S	*	*			trans	-72.6	99.2	163	28	0	0	0	0	108.4	Q7 L11	Q7-S9 VanDerWaalsContact C-N 3.33Å; Q7-S9 PolarHBondContact O-N 2.83Å; S9-L11 PolarHBondContact O-N 2.98Å
10	Y	36.2	Very low	40.7	Very low	197 Å²	197	157.1 Å²	157.1	77%	0.773	78%	0.78	S	S	*	*			trans	-69.9	82.4	165.8	-71.7	-89	0	0	0	108.6	K8 H12	K8-Y10 HydrophobicContact CB-CD2 4.3Å; K8-Y10 HydrophobicContact CB-CE2 3.94Å; K8-Y10 HydrophobicContact CD-CE2 4.32Å; K8-Y10 PolarHBondContact O-N 3.4Å; K8-Y10 VanDerWaalsContact O-N 3.17Å; Y10-H12 PolarHBondContact O-N 3.18Å; Y10-H12 VanDerWaalsContact O-N 3.16Å
11	L	38.3	Very low	41.7	Very low	144 Å²	144	152.4 Å²	152.4	75%	0.754	77%	0.766	S	S	*	*			trans	-77.1	97.3	166.1	-74.5	170.4	0	0	0	107.9	S9 T13	S9-L11 PolarHBondContact O-N 2.98Å; L11-T13 VanDerWaalsContact C-N 3.26Å; L11-T13 PolarHBondContact O-N 3.47Å
12	H	37.7	Very low	43	Very low	186 Å²	186	143.1 Å²	143.1	86%	0.861	73%	0.725	S	S	*	*			trans	-69	86.9	165.1	-142.9	-65	0	0	0	107.7	Y10 S14	Y10-H12 PolarHBondContact O-N 3.18Å; Y10-H12 VanDerWaalsContact O-N 3.16Å; H12-S14 PolarHBondContact O-N 3.06Å
13	T	44.3	Very low	44.7	Very low	118 Å²	118	138 Å²	138	72%	0.724	71%	0.712	S	S	*	*			trans	-75.7	94.2	170.9	30.5	0	0	0	0	108.4	L11 V15	L11-T13 VanDerWaalsContact C-N 3.26Å; L11-T13 PolarHBondContact O-N 3.47Å; T13-V15 PolarHBondContact O-N 3.18Å
14	S	40	Very low	46.1	Very low	86 Å²	86	134.7 Å²	134.7	60%	0.601	71%	0.708	S	S	*	*			trans	-58.6	123.5	161.4	57.2	0	0	0	0	107.6	H12 H16	H12-S14 PolarHBondContact O-N 3.06Å; S14-H16 PolarHBondContact O-N 3.41Å
15	V	42.3	Very low	47.7	Very low	130 Å²	130	132.6 Å²	132.6	79%	0.788	69%	0.69	S	S	*	*	S	Bend	trans	-72.6	37.2	179.6	-173.7	0	0	0	0	110.9	T13 V17	T13-V15 PolarHBondContact O-N 3.18Å; V15-V17 PolarHBondContact O-N 3.01Å
16	H	40.1	Very low	49.2	Very low	168 Å²	168	136.5 Å²	136.5	78%	0.778	70%	0.696	S	S	*	*			trans	-94.9	57.5	162.8	-73.5	64.3	0	0	0	107.9	S14 L18	S14-H16 PolarHBondContact O-N 3.41Å; H16-L18 PolarHBondContact O-N 3.26Å; H16-L18 VanDerWaalsContact O-N 3.07Å
17	V	44.7	Very low	51	Low	106 Å²	106	133.2 Å²	133.2	64%	0.642	70%	0.7	S	S	*	*			trans	-53.9	117.8	160.8	173.2	0	0	0	0	105.7	V15 K19	V15-V17 PolarHBondContact O-N 3.01Å; V17-K19 PolarHBondContact O-N 3.35Å
18	L	44.2	Very low	53.1	Low	168 Å²	168	129.8 Å²	129.8	88%	0.88	68%	0.683	S	S	*	*			trans	-49.8	89.3	168.8	-75	158.3	0	0	0	108.5	H16 K20	H16-L18 PolarHBondContact O-N 3.26Å; H16-L18 VanDerWaalsContact O-N 3.07Å; L18-K20 PolarHBondContact O-N 3.38Å
19	K	47.6	Very low	55.3	Low	164 Å²	164	124.6 Å²	124.6	71%	0.713	67%	0.668	S	S	*	*			trans	-61.7	113	166.8	-78.6	-178.3	179.8	174.2	0	104.1	V17 A21	V17-K19 PolarHBondContact O-N 3.35Å; K19-A21 VanDerWaalsContact C-N 3.34Å; K19-A21 PolarHBondContact O-N 3.04Å
20	K	55.1	Low	57.5	Low	163 Å²	163	124.5 Å²	124.5	71%	0.709	66%	0.663	S	S	*	*			trans	-52.7	106.1	166.8	-84.4	-173.9	175	-178.4	0	106.4	L18 L40	L18-K20 PolarHBondContact O-N 3.38Å; K20-L40 HydrophobicContact CB-CD2 4.25Å
21	A	61.5	Low	59.7	Low	60 Å²	60	117.8 Å²	117.8	50%	0.496	65%	0.648	S	S	.	*			trans	-68.2	143.8	175.7	0	0	0	0	0	107.6	K19 H23	K19-A21 VanDerWaalsContact C-N 3.34Å; K19-A21 PolarHBondContact O-N 3.04Å; A21-H23 PolarHBondContact O-CD2 3.36Å; A21-H23 PolarHBondContact O-N 3.36Å; A21-H23 VanDerWaalsContact O-N 3.08Å
22	A	65.9	Low	61.8	Low	27 Å²	27	114.7 Å²	114.7	22%	0.223	63%	0.632	C	S	.	*			trans	-68.1	110.9	172	0	0	0	0	0	108.4	L25 I36 V37 L40	A22-L25 HydrophobicContact CB-CD1 3.94Å; A22-L25 HydrophobicContact CB-CD2 3.72Å; A22-L25 HydrophobicContact CB-CG 3.94Å; A22-I36 HydrophobicContact CB-CG2 3.79Å; A22-V37 HydrophobicContact CB-CG2 4.02Å; A22-L40 HydrophobicContact CB-CD1 3.75Å
23	H	66.8	Low	64.1	Low	156 Å²	156	108.8 Å²	108.8	72%	0.722	61%	0.605	S	S	*	*			trans	-86.1	150.2	174.9	-65	-80.4	0	0	0	110.1	A21	A21-H23 PolarHBondContact O-CD2 3.36Å; A21-H23 PolarHBondContact O-N 3.36Å; A21-H23 VanDerWaalsContact O-N 3.08Å
24	N	65.2	Low	66.1	Low	146 Å²	146	111.1 Å²	111.1	78%	0.781	60%	0.6	S	S	*	*			trans	55.9	54.3	176.6	-68.5	-27.1	0	0	0	115.5	K28	N24-K28 WeakPolarHBondContact O-CE 3.34Å
25	L	74	Confident	68.2	Low	47 Å²	47	113.9 Å²	113.9	25%	0.246	60%	0.598	C	S	.	*			trans	-81.1	-12.7	172.5	-64.9	-178.4	0	0	0	114.1	A22 G27 K28 Q33 I36	A22-L25 HydrophobicContact CB-CD1 3.94Å; A22-L25 HydrophobicContact CB-CD2 3.72Å; A22-L25 HydrophobicContact CB-CG 3.94Å; L25-G27 PolarHBondContact O-N 2.87Å; L25-K28 PolarHBondContact O-N 3.07Å; L25-Q33 HydrophobicContact CB-CG 4.19Å; L25-Q33 HydrophobicContact CD2-CB 4.29Å; L25-Q33 HydrophobicContact CD2-CG 4.09Å; L25-Q33 PolarHBondContact O-NE2 3.2Å; L25-I36 HydrophobicContact CD2-CB 4.47Å; L25-I36 HydrophobicContact CD2-CD1 4.06Å; L25-I36 HydrophobicContact CD2-CG2 4.34Å
26	K	71.8	Confident	70.3	Confident	210 Å²	210	109.2 Å²	109.2	91%	0.913	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	127.7	-177.1	-158.5	175.6	-177.9	-178.5	0	109.8
27	G	79.9	Confident	72.5	Confident	87 Å²	87	104.2 Å²	104.2	90%	0.897	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-2	-178.1	0	0	0	0	0	115.9	L25	L25-G27 PolarHBondContact O-N 2.87Å
28	K	82.3	Confident	74.4	Confident	97 Å²	97	104.8 Å²	104.8	42%	0.422	54%	0.54	S	S	.	.			trans	-92.2	148.6	175.3	-64.3	-174.5	178.7	-72.1	0	111.6	N24 L25 D32 Q33 I36	N24-K28 WeakPolarHBondContact O-CE 3.34Å; L25-K28 PolarHBondContact O-N 3.07Å; K28-D32 HydrophobicContact CB-CB 4.05Å; K28-Q33 HydrophobicContact CB-CG 4.08Å; K28-I36 HydrophobicContact CD-CD1 3.39Å
29	S	85.4	Confident	76.3	Confident	58 Å²	58	98.6 Å²	98.6	41%	0.406	51%	0.507	S	S	.	.			trans	-65.4	157.4	176	77.4	0	0	0	0	111.5	A31 D32 Q33	S29-A31 PolarHBondContact O-N 3.47Å; S29-A31 PolarHBondContact OG-N 3.05Å; S29-D32 WeakPolarHBondContact CB-OD2 3.31Å; S29-D32 PolarHBondContact N-OD2 3.26Å; S29-D32 WeakPolarHBondContact O-CB 3.28Å; S29-D32 PolarHBondContact O-N 3.47Å; S29-D32 PolarHBondContact OG-N 3.41Å; S29-D32 VanDerWaalsContact OG-N 3.16Å; S29-D32 PolarHBondContact OG-OD2 3.16Å; S29-Q33 WeakPolarHBondContact O-CG 3.48Å; S29-Q33 PolarHBondContact O-N 3.13Å
30	T	84.6	Confident	78.1	Confident	97 Å²	97	93.3 Å²	93.3	60%	0.595	49%	0.486	S	S	*	.	H	α-helix	trans	-58.3	-30.7	175.8	-49.7	0	0	0	0	112.4	R34	T30-R34 WeakPolarHBondContact O-CG 3.44Å; T30-R34 PolarHBondContact O-N 2.99Å; T30-R34 PolarHBondContact O-NE 3.37Å
31	A	81.6	Confident	79.6	Confident	55 Å²	55	89.2 Å²	89.2	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-67.8	-45.2	174.5	0	0	0	0	0	111.3	S29 R34 W35	S29-A31 PolarHBondContact O-N 3.47Å; S29-A31 PolarHBondContact OG-N 3.05Å; A31-R34 PolarHBondContact O-N 3.08Å; A31-W35 PolarHBondContact O-N 3.41Å
32	D	83.3	Confident	80.9	Confident	79 Å²	79	86.8 Å²	86.8	42%	0.422	45%	0.45	S	S	.	.	H	α-helix	trans	-64.1	-44	178.6	-61	-38.8	0	0	0	111.8	K28 S29 R34 W35 I36	K28-D32 HydrophobicContact CB-CB 4.05Å; S29-D32 WeakPolarHBondContact CB-OD2 3.31Å; S29-D32 PolarHBondContact N-OD2 3.26Å; S29-D32 WeakPolarHBondContact O-CB 3.28Å; S29-D32 PolarHBondContact O-N 3.47Å; S29-D32 PolarHBondContact OG-N 3.41Å; S29-D32 VanDerWaalsContact OG-N 3.16Å; S29-D32 PolarHBondContact OG-OD2 3.16Å; D32-R34 VanDerWaalsContact C-N 3.34Å; D32-R34 PolarHBondContact O-N 2.89Å; D32-W35 PolarHBondContact O-N 2.98Å; D32-I36 VanDerWaalsContact O-CG1 3.31Å; D32-I36 WeakPolarHBondContact O-CG1 3.47Å; D32-I36 PolarHBondContact O-N 3.26Å
33	Q	85.6	Confident	82.2	Confident	63 Å²	63	89.6 Å²	89.6	29%	0.294	47%	0.466	S	S	.	.	H	α-helix	trans	-59.7	-46	178	-65	-176.7	-6.9	0	0	111	L25 K28 S29 W35 I36 V37	L25-Q33 HydrophobicContact CB-CG 4.19Å; L25-Q33 HydrophobicContact CD2-CB 4.29Å; L25-Q33 HydrophobicContact CD2-CG 4.09Å; L25-Q33 PolarHBondContact O-NE2 3.2Å; K28-Q33 HydrophobicContact CB-CG 4.08Å; S29-Q33 WeakPolarHBondContact O-CG 3.48Å; S29-Q33 PolarHBondContact O-N 3.13Å; Q33-W35 VanDerWaalsContact C-N 3.34Å; Q33-W35 PolarHBondContact O-N 3.17Å; Q33-I36 PolarHBondContact O-N 2.88Å; Q33-V37 WeakPolarHBondContact O-CG2 3.32Å; Q33-V37 PolarHBondContact O-N 3.28Å
34	R	85.3	Confident	83.6	Confident	166 Å²	166	84.3 Å²	84.3	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-61.5	-41.4	175.3	-75.3	-175.2	-67.2	175.7	-0.6	111.9	T30 A31 D32 R38	T30-R34 WeakPolarHBondContact O-CG 3.44Å; T30-R34 PolarHBondContact O-N 2.99Å; T30-R34 PolarHBondContact O-NE 3.37Å; A31-R34 PolarHBondContact O-N 3.08Å; D32-R34 VanDerWaalsContact C-N 3.34Å; D32-R34 PolarHBondContact O-N 2.89Å; R34-R38 VanDerWaalsContact O-CB 3.28Å; R34-R38 WeakPolarHBondContact O-CB 3.5Å; R34-R38 PolarHBondContact O-N 3.15Å
35	W	84.9	Confident	84.9	Confident	145 Å²	145	78.8 Å²	78.8	55%	0.549	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-47.4	176.3	178.9	97.6	0	0	0	111.5	A31 D32 Q33 V37 R38 Q39	A31-W35 PolarHBondContact O-N 3.41Å; D32-W35 PolarHBondContact O-N 2.98Å; Q33-W35 VanDerWaalsContact C-N 3.34Å; Q33-W35 PolarHBondContact O-N 3.17Å; W35-V37 PolarHBondContact O-N 2.87Å; W35-R38 WeakPolarHBondContact O-CB 3.25Å; W35-R38 PolarHBondContact O-N 2.82Å; W35-Q39 HydrophobicContact CD2-CG 3.74Å; W35-Q39 VanDerWaalsContact CE2-NE2 3.34Å; W35-Q39 HydrophobicContact CE3-CG 3.96Å; W35-Q39 HydrophobicContact CG-CG 4.44Å; W35-Q39 HydrophobicContact CH2-CG 3.82Å; W35-Q39 HydrophobicContact CZ2-CG 3.61Å; W35-Q39 HydrophobicContact CZ3-CG 3.99Å; W35-Q39 WeakPolarHBondContact O-CG 3.43Å; W35-Q39 PolarHBondContact O-N 3.44Å
36	I	85.6	Confident	85.9	Confident	32 Å²	32	81.5 Å²	81.5	16%	0.164	42%	0.422	C	S	.	.	H	α-helix	trans	-59.5	-51	179.9	-68.8	170.4	0	0	0	110.6	A22 L25 K28 D32 Q33 R38 Q39 L40	A22-I36 HydrophobicContact CB-CG2 3.79Å; L25-I36 HydrophobicContact CD2-CB 4.47Å; L25-I36 HydrophobicContact CD2-CD1 4.06Å; L25-I36 HydrophobicContact CD2-CG2 4.34Å; K28-I36 HydrophobicContact CD-CD1 3.39Å; D32-I36 VanDerWaalsContact O-CG1 3.31Å; D32-I36 WeakPolarHBondContact O-CG1 3.47Å; D32-I36 PolarHBondContact O-N 3.26Å; Q33-I36 PolarHBondContact O-N 2.88Å; I36-R38 PolarHBondContact O-N 3.28Å; I36-Q39 PolarHBondContact O-N 3.24Å; I36-Q39 VanDerWaalsContact O-N 3.17Å; I36-L40 HydrophobicContact CG2-CD1 3.94Å; I36-L40 HydrophobicContact CG2-CG 4.48Å; I36-L40 WeakPolarHBondContact O-CG 3.42Å; I36-L40 PolarHBondContact O-N 3.11Å
37	V	86.5	Confident	86.9	Confident	62 Å²	62	72.7 Å²	72.7	38%	0.376	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-40.1	179.3	172.8	0	0	0	0	110.7	A22 Q33 W35 N41	A22-V37 HydrophobicContact CB-CG2 4.02Å; Q33-V37 WeakPolarHBondContact O-CG2 3.32Å; Q33-V37 PolarHBondContact O-N 3.28Å; W35-V37 PolarHBondContact O-N 2.87Å; V37-N41 PolarHBondContact O-N 2.58Å; V37-N41 PolarHBondContact O-ND2 3.43Å
38	R	84.8	Confident	87.7	Confident	118 Å²	118	68.7 Å²	68.7	45%	0.445	35%	0.348	S	S	.	.	H	α-helix	trans	-64	-45.8	175.9	-175.1	178.1	-68.4	164.4	-1.5	111.9	R34 W35 I36 L40 N41 D42 E227	R34-R38 VanDerWaalsContact O-CB 3.28Å; R34-R38 WeakPolarHBondContact O-CB 3.5Å; R34-R38 PolarHBondContact O-N 3.15Å; W35-R38 WeakPolarHBondContact O-CB 3.25Å; W35-R38 PolarHBondContact O-N 2.82Å; I36-R38 PolarHBondContact O-N 3.28Å; R38-L40 PolarHBondContact O-N 3.46Å; R38-N41 PolarHBondContact O-N 2.8Å; R38-D42 WeakPolarHBondContact O-CB 3.46Å; R38-D42 PolarHBondContact O-N 2.8Å; R38-D42 VanDerWaalsContact O-N 3.09Å; R38-E227 VanDerWaalsContact CD-OE1 3.25Å; R38-E227 WeakPolarHBondContact CD-OE1 3.38Å; R38-E227 IonicContact CZ-OE1 3.33Å; R38-E227 IonicContact NE-OE1 3.21Å; R38-E227 PolarHBondContact NE-OE1 3.09Å; R38-E227 IonicContact NH1-OE1 3.46Å; R38-E227 PolarHBondContact NH1-OE1 3.25Å
39	Q	85.4	Confident	88.3	Confident	39 Å²	39	70.7 Å²	70.7	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-44.6	178.5	-68.5	-64.1	-16	0	0	112	W35 I36 N41 D42 R225	W35-Q39 HydrophobicContact CD2-CG 3.74Å; W35-Q39 VanDerWaalsContact CE2-NE2 3.34Å; W35-Q39 HydrophobicContact CE3-CG 3.96Å; W35-Q39 HydrophobicContact CG-CG 4.44Å; W35-Q39 HydrophobicContact CH2-CG 3.82Å; W35-Q39 HydrophobicContact CZ2-CG 3.61Å; W35-Q39 HydrophobicContact CZ3-CG 3.99Å; W35-Q39 WeakPolarHBondContact O-CG 3.43Å; W35-Q39 PolarHBondContact O-N 3.44Å; I36-Q39 PolarHBondContact O-N 3.24Å; I36-Q39 VanDerWaalsContact O-N 3.17Å; Q39-N41 PolarHBondContact O-N 3.09Å; Q39-D42 WeakPolarHBondContact O-CB 3.44Å; Q39-D42 PolarHBondContact O-N 3.28Å; Q39-R225 VanDerWaalsContact OE1-NH2 3.15Å
40	L	84.5	Confident	88.8	Confident	52 Å²	52	73.2 Å²	73.2	27%	0.272	37%	0.371	S	S	.	.	H	α-helix	trans	-63	-31.9	-180	-71.7	170.3	0	0	0	113.2	K20 A22 I36 R38 K46	K20-L40 HydrophobicContact CB-CD2 4.25Å; A22-L40 HydrophobicContact CB-CD1 3.75Å; I36-L40 HydrophobicContact CG2-CD1 3.94Å; I36-L40 HydrophobicContact CG2-CG 4.48Å; I36-L40 WeakPolarHBondContact O-CG 3.42Å; I36-L40 PolarHBondContact O-N 3.11Å; R38-L40 PolarHBondContact O-N 3.46Å; L40-K46 WeakPolarHBondContact O-CE 3.31Å
41	N	86.4	Confident	89.3	Confident	78 Å²	78	73.8 Å²	73.8	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-92	-5	-179.5	-69.4	-53	0	0	0	113.4	V37 R38 Q39 P43	V37-N41 PolarHBondContact O-N 2.58Å; V37-N41 PolarHBondContact O-ND2 3.43Å; R38-N41 PolarHBondContact O-N 2.8Å; Q39-N41 PolarHBondContact O-N 3.09Å; N41-P43 WeakPolarHBondContact O-CD 3.32Å
42	D	89.6	Confident	90	Very high	9 Å²	9	77.7 Å²	77.7	5%	0.048	38%	0.38	C	S	.	.			trans	-75.2	115.7	-177.1	-164.8	-49	0	0	0	110.6	R38 Q39 F44 V45 K46 R56 R225	R38-D42 WeakPolarHBondContact O-CB 3.46Å; R38-D42 PolarHBondContact O-N 2.8Å; R38-D42 VanDerWaalsContact O-N 3.09Å; Q39-D42 WeakPolarHBondContact O-CB 3.44Å; Q39-D42 PolarHBondContact O-N 3.28Å; D42-F44 PolarHBondContact O-N 3.11Å; D42-F44 WeakPolarHBondContact OD1-CB 3.44Å; D42-F44 PolarHBondContact OD1-N 2.89Å; D42-F44 VanDerWaalsContact OD1-N 3.08Å; D42-V45 HydrophobicContact CB-CB 4.07Å; D42-V45 HydrophobicContact CB-CG2 3.61Å; D42-V45 PolarHBondContact O-N 2.75Å; D42-V45 VanDerWaalsContact O-N 3.15Å; D42-K46 PolarHBondContact O-N 2.99Å; D42-R56 VanDerWaalsContact CG-CZ 3.44Å; D42-R56 IonicContact OD1-CZ 2.96Å; D42-R56 VanDerWaalsContact OD1-CZ 3.29Å; D42-R56 IonicContact OD1-NE 3.16Å; D42-R56 PolarHBondContact OD1-NE 3.48Å; D42-R56 IonicContact OD1-NH2 3.02Å; D42-R56 PolarHBondContact OD1-NH2 3.39Å; D42-R56 IonicContact OD2-CZ 2.86Å; D42-R56 IonicContact OD2-NE 2.88Å; D42-R56 PolarHBondContact OD2-NE 3Å; D42-R56 IonicContact OD2-NH1 3.45Å; D42-R56 PolarHBondContact OD2-NH1 3.43Å; D42-R56 IonicContact OD2-NH2 3Å; D42-R56 PolarHBondContact OD2-NH2 2.76Å; D42-R56 VanDerWaalsContact OD2-NH2 3.08Å; D42-R225 IonicContact OD2-CZ 3.31Å; D42-R225 VanDerWaalsContact OD2-CZ 3.31Å; D42-R225 IonicContact OD2-NE 2.93Å; D42-R225 PolarHBondContact OD2-NE 3.33Å; D42-R225 IonicContact OD2-NH2 2.8Å; D42-R225 PolarHBondContact OD2-NH2 2.88Å
43	P	92.9	Very high	90.7	Very high	86 Å²	86	76.2 Å²	76.2	56%	0.558	37%	0.369	S	S	*	.	H	α-helix	trans	-63	-30.8	-176.9	25.1	-33.6	0	0	0	112.1	N41 K46 A47	N41-P43 WeakPolarHBondContact O-CD 3.32Å; P43-K46 PolarHBondContact O-N 3.37Å; P43-A47 WeakPolarHBondContact O-CB 3.48Å; P43-A47 PolarHBondContact O-N 3.17Å
44	F	95.3	Very high	91.3	Very high	45 Å²	45	76.8 Å²	76.8	20%	0.197	37%	0.368	C	S	.	.	H	α-helix	trans	-77.4	-22.5	-180	-63.2	-80.4	0	0	0	112.7	D42 A48 R56 F59 A223	D42-F44 PolarHBondContact O-N 3.11Å; D42-F44 WeakPolarHBondContact OD1-CB 3.44Å; D42-F44 PolarHBondContact OD1-N 2.89Å; D42-F44 VanDerWaalsContact OD1-N 3.08Å; F44-A48 VanDerWaalsContact O-CB 3.3Å; F44-A48 WeakPolarHBondContact O-CB 3.46Å; F44-A48 PolarHBondContact O-N 3.15Å; F44-R56 HydrophobicContact CB-CB 3.95Å; F44-R56 WeakPolarHBondContact O-CB 3.39Å; F44-F59 HydrophobicContact CB-CD2 4.1Å; F44-F59 HydrophobicContact CD1-CB 3.67Å; F44-F59 HydrophobicContact CD1-CD1 4.23Å; F44-F59 AromaticContact CD1-CD2 3.83Å; F44-F59 HydrophobicContact CD1-CD2 3.83Å; F44-F59 AromaticContact CD1-CG 3.64Å; F44-F59 HydrophobicContact CD1-CG 3.64Å; F44-F59 HydrophobicContact CE1-CB 4.06Å; F44-F59 HydrophobicContact CE1-CG 4.27Å; F44-F59 HydrophobicContact CG-CD2 4.46Å; F44-A223 HydrophobicContact CD1-CB 4.03Å; F44-A223 HydrophobicContact CD2-CB 4.41Å; F44-A223 HydrophobicContact CE1-CB 3.85Å; F44-A223 HydrophobicContact CE2-CB 4.27Å; F44-A223 HydrophobicContact CG-CB 4.28Å; F44-A223 HydrophobicContact CZ-CB 3.97Å
45	V	94.1	Very high	91.8	Very high	30 Å²	30	70.6 Å²	70.6	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-48.2	168.5	174	0	0	0	0	109.5	D42 A47 A48 H49 R56	D42-V45 HydrophobicContact CB-CB 4.07Å; D42-V45 HydrophobicContact CB-CG2 3.61Å; D42-V45 PolarHBondContact O-N 2.75Å; D42-V45 VanDerWaalsContact O-N 3.15Å; V45-A47 PolarHBondContact O-N 3.15Å; V45-A48 PolarHBondContact O-N 2.97Å; V45-H49 PolarHBondContact O-CD2 3.44Å; V45-H49 PolarHBondContact O-N 3.35Å; V45-R56 HydrophobicContact CG2-CB 4.22Å; V45-R56 HydrophobicContact CG2-CG 4.37Å
46	K	93.3	Very high	92.4	Very high	103 Å²	103	65.5 Å²	65.5	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-45.6	176.7	-63.2	179	-176	175.5	0	111.4	L40 D42 P43 A48 H49 V50	L40-K46 WeakPolarHBondContact O-CE 3.31Å; D42-K46 PolarHBondContact O-N 2.99Å; P43-K46 PolarHBondContact O-N 3.37Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 3.27Å; K46-H49 PolarHBondContact O-N 3.17Å; K46-V50 WeakPolarHBondContact O-CG2 3.19Å; K46-V50 PolarHBondContact O-N 2.81Å
47	A	94.5	Very high	92.9	Very high	25 Å²	25	64.8 Å²	64.8	21%	0.207	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-38.1	177.4	0	0	0	0	0	112	P43 V45 H49 V50 H51 F59	P43-A47 WeakPolarHBondContact O-CB 3.48Å; P43-A47 PolarHBondContact O-N 3.17Å; V45-A47 PolarHBondContact O-N 3.15Å; A47-H49 VanDerWaalsContact C-N 3.31Å; A47-H49 PolarHBondContact O-N 3.22Å; A47-V50 PolarHBondContact O-N 3.27Å; A47-H51 WeakPolarHBondContact O-CB 3.32Å; A47-H51 PolarHBondContact O-CD2 3.16Å; A47-H51 PolarHBondContact O-N 2.79Å; A47-F59 HydrophobicContact CB-CE1 4.19Å; A47-F59 HydrophobicContact CB-CE2 3.71Å; A47-F59 HydrophobicContact CB-CZ 3.43Å; A47-F59 VanDerWaalsContact CB-CZ 3.43Å
48	A	96.2	Very high	93.5	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-41.6	177.8	0	0	0	0	0	111.5	F44 V45 K46 N52 Y53 F59	F44-A48 VanDerWaalsContact O-CB 3.3Å; F44-A48 WeakPolarHBondContact O-CB 3.46Å; F44-A48 PolarHBondContact O-N 3.15Å; V45-A48 PolarHBondContact O-N 2.97Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 3.27Å; A48-N52 CarbonylContact O-C 3.56Å; A48-N52 WeakPolarHBondContact O-CA 3.27Å; A48-N52 PolarHBondContact O-N 3.03Å; A48-Y53 PolarHBondContact O-N 3.32Å; A48-F59 HydrophobicContact CB-CE2 4.02Å
49	H	94	Very high	94.2	Very high	139 Å²	139	57 Å²	57	64%	0.644	29%	0.293	S	S	*	.	H	α-helix	trans	-63.1	-45.1	173.2	-71.9	-68.1	0	0	0	112.5	V45 K46 A47 H51 N52	V45-H49 PolarHBondContact O-CD2 3.44Å; V45-H49 PolarHBondContact O-N 3.35Å; K46-H49 PolarHBondContact O-N 3.17Å; A47-H49 VanDerWaalsContact C-N 3.31Å; A47-H49 PolarHBondContact O-N 3.22Å; H49-H51 VanDerWaalsContact C-N 3.33Å; H49-H51 PolarHBondContact O-N 2.68Å; H49-N52 PolarHBondContact O-N 3.49Å
50	V	95.7	Very high	94.8	Very high	111 Å²	111	55.8 Å²	55.8	67%	0.673	29%	0.287	S	S	*	.	H	α-helix	trans	-62.6	-40.3	179.4	171.9	0	0	0	0	111.9	K46 A47 N52	K46-V50 WeakPolarHBondContact O-CG2 3.19Å; K46-V50 PolarHBondContact O-N 2.81Å; A47-V50 PolarHBondContact O-N 3.27Å; V50-N52 VanDerWaalsContact C-N 3.35Å
51	H	95.3	Very high	95.4	Very high	109 Å²	109	53.3 Å²	53.3	51%	0.505	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6.6	-179.2	-68.9	-76.1	0	0	0	113.7	A47 H49 Y53 F59	A47-H51 WeakPolarHBondContact O-CB 3.32Å; A47-H51 PolarHBondContact O-CD2 3.16Å; A47-H51 PolarHBondContact O-N 2.79Å; H49-H51 VanDerWaalsContact C-N 3.33Å; H49-H51 PolarHBondContact O-N 2.68Å; H51-Y53 HydrophobicContact CB-CD2 3.66Å; H51-Y53 HydrophobicContact CB-CE2 3.62Å; H51-Y53 HydrophobicContact CB-CG 4.45Å; H51-Y53 PolarHBondContact O-N 2.81Å; H51-F59 HydrophobicContact CB-CZ 4.5Å; H51-F59 AromaticContact CD2-CZ 3.84Å
52	N	96.5	Very high	96	Very high	136 Å²	136	51.3 Å²	51.3	73%	0.727	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	32.6	-176.9	-62.9	-55.1	0	0	0	114.5	A48 H49 V50 Q89	A48-N52 CarbonylContact O-C 3.56Å; A48-N52 WeakPolarHBondContact O-CA 3.27Å; A48-N52 PolarHBondContact O-N 3.03Å; H49-N52 PolarHBondContact O-N 3.49Å; V50-N52 VanDerWaalsContact C-N 3.35Å; N52-Q89 PolarHBondContact O-NE2 2.84Å; N52-Q89 VanDerWaalsContact O-NE2 3.16Å
53	Y	98.1	Very high	96.4	Very high	49 Å²	49	53.4 Å²	53.4	19%	0.192	27%	0.273	C	S	.	.			trans	-80.3	140.3	167.8	-65.5	-49.3	0	0	0	110.4	A48 H51 C55 A58 F59 Q89 I90	A48-Y53 PolarHBondContact O-N 3.32Å; H51-Y53 HydrophobicContact CB-CD2 3.66Å; H51-Y53 HydrophobicContact CB-CE2 3.62Å; H51-Y53 HydrophobicContact CB-CG 4.45Å; H51-Y53 PolarHBondContact O-N 2.81Å; Y53-C55 PolarHBondContact O-N 3.42Å; Y53-A58 HydrophobicContact CD1-CB 4Å; Y53-A58 HydrophobicContact CD2-CB 3.9Å; Y53-A58 HydrophobicContact CE2-CB 4.49Å; Y53-A58 HydrophobicContact CG-CB 3.63Å; Y53-F59 HydrophobicContact CD2-CE1 4.3Å; Y53-F59 AromaticContact CD2-CE2 4Å; Y53-F59 HydrophobicContact CD2-CE2 4Å; Y53-F59 AromaticContact CD2-CZ 3.76Å; Y53-F59 HydrophobicContact CD2-CZ 3.76Å; Y53-F59 HydrophobicContact CE2-CE1 4.1Å; Y53-F59 AromaticContact CE2-CZ 3.99Å; Y53-F59 HydrophobicContact CE2-CZ 3.99Å; Y53-Q89 HydrophobicContact CD1-CB 4.46Å; Y53-I90 HydrophobicContact CD1-CD1 4.06Å; Y53-I90 HydrophobicContact CE1-CD1 3.34Å; Y53-I90 HydrophobicContact CE2-CD1 4.3Å; Y53-I90 VanDerWaalsContact CZ-CD1 3.48Å
54	R	97.9	Very high	96.7	Very high	74 Å²	74	49.4 Å²	49.4	28%	0.279	25%	0.246	S	C	.	.	S	Bend	trans	-59.2	-33	-178.3	-72.3	178.3	-175.4	-163	-4.8	112.4	P84 A86 Q89 A118 P119	R54-P84 HydrophobicContact CB-CB 4.44Å; R54-P84 HydrophobicContact CB-CG 4.09Å; R54-P84 WeakPolarHBondContact CD-O 3.49Å; R54-P84 PolarHBondContact NH1-O 2.89Å; R54-A86 HydrophobicContact CB-CB 4.33Å; R54-Q89 VanDerWaalsContact CG-OE1 3.29Å; R54-A118 VanDerWaalsContact CZ-O 3.29Å; R54-A118 PolarHBondContact NH1-O 3.05Å; R54-A118 PolarHBondContact NH2-O 2.93Å; R54-P119 PolarHBondContact NH2-O 3.2Å
55	C	96.8	Very high	96.9	Very high	36 Å²	36	47.4 Å²	47.4	24%	0.243	24%	0.238	C	C	.	.	S	Bend	trans	-158.1	171.5	169.7	70.6	0	0	0	0	112.3	Y53 S57 A58 P84 A86	Y53-C55 PolarHBondContact O-N 3.42Å; C55-S57 PolarHBondContact O-N 2.97Å; C55-S57 VanDerWaalsContact O-N 3.16Å; C55-S57 PolarHBondContact SG-OG 3.02Å; C55-A58 PolarHBondContact O-N 2.62Å; C55-P84 HydrophobicContact CB-CG 4.15Å; C55-A86 WeakPolarHBondContact SG-CB 3.42Å
56	R	96.8	Very high	97.1	Very high	38 Å²	38	49.2 Å²	49.2	14%	0.143	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.8	-177.4	71.7	179.3	-60.7	-104.2	-4.8	114.9	D42 F44 V45 A58 F59 A223	D42-R56 VanDerWaalsContact CG-CZ 3.44Å; D42-R56 IonicContact OD1-CZ 2.96Å; D42-R56 VanDerWaalsContact OD1-CZ 3.29Å; D42-R56 IonicContact OD1-NE 3.16Å; D42-R56 PolarHBondContact OD1-NE 3.48Å; D42-R56 IonicContact OD1-NH2 3.02Å; D42-R56 PolarHBondContact OD1-NH2 3.39Å; D42-R56 IonicContact OD2-CZ 2.86Å; D42-R56 IonicContact OD2-NE 2.88Å; D42-R56 PolarHBondContact OD2-NE 3Å; D42-R56 IonicContact OD2-NH1 3.45Å; D42-R56 PolarHBondContact OD2-NH1 3.43Å; D42-R56 IonicContact OD2-NH2 3Å; D42-R56 PolarHBondContact OD2-NH2 2.76Å; D42-R56 VanDerWaalsContact OD2-NH2 3.08Å; F44-R56 HydrophobicContact CB-CB 3.95Å; F44-R56 WeakPolarHBondContact O-CB 3.39Å; V45-R56 HydrophobicContact CG2-CB 4.22Å; V45-R56 HydrophobicContact CG2-CG 4.37Å; R56-A58 PolarHBondContact O-N 2.99Å; R56-F59 WeakPolarHBondContact O-CD2 3.32Å; R56-F59 PolarHBondContact O-N 2.93Å; R56-A223 PolarHBondContact NH2-O 2.93Å
57	S	97.2	Very high	97.3	Very high	18 Å²	18	51.4 Å²	51.4	13%	0.126	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.1	-177.7	63.1	0	0	0	0	112.7	C55 F59 K60 W87 D155	C55-S57 PolarHBondContact O-N 2.97Å; C55-S57 VanDerWaalsContact O-N 3.16Å; C55-S57 PolarHBondContact SG-OG 3.02Å; S57-F59 PolarHBondContact O-N 2.88Å; S57-K60 VanDerWaalsContact O-CB 3.27Å; S57-K60 WeakPolarHBondContact O-CB 3.46Å; S57-K60 PolarHBondContact O-N 2.87Å; S57-W87 PolarHBondContact O-NE1 3.45Å; S57-D155 VanDerWaalsContact CB-OD2 3.28Å; S57-D155 WeakPolarHBondContact CB-OD2 3.37Å
58	A	98.4	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-49.7	-41.2	171.2	0	0	0	0	0	112.3	Y53 C55 R56 K60 L61 L62 A86 I90	Y53-A58 HydrophobicContact CD1-CB 4Å; Y53-A58 HydrophobicContact CD2-CB 3.9Å; Y53-A58 HydrophobicContact CE2-CB 4.49Å; Y53-A58 HydrophobicContact CG-CB 3.63Å; C55-A58 PolarHBondContact O-N 2.62Å; R56-A58 PolarHBondContact O-N 2.99Å; A58-K60 VanDerWaalsContact C-N 3.26Å; A58-K60 PolarHBondContact O-N 2.92Å; A58-L61 PolarHBondContact O-N 3Å; A58-L62 WeakPolarHBondContact O-CB 3.43Å; A58-L62 PolarHBondContact O-N 2.9Å; A58-A86 HydrophobicContact CB-CB 4.17Å; A58-I90 HydrophobicContact CB-CD1 4.18Å; A58-I90 HydrophobicContact CB-CG1 4.14Å
59	F	98.3	Very high	97.5	Very high	17 Å²	17	57.3 Å²	57.3	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-25.5	179.8	-65.6	-78.2	0	0	0	113.5	F44 A47 A48 H51 Y53 R56 S57 L62 E63 A223	F44-F59 HydrophobicContact CB-CD2 4.1Å; F44-F59 HydrophobicContact CD1-CB 3.67Å; F44-F59 HydrophobicContact CD1-CD1 4.23Å; F44-F59 AromaticContact CD1-CD2 3.83Å; F44-F59 HydrophobicContact CD1-CD2 3.83Å; F44-F59 AromaticContact CD1-CG 3.64Å; F44-F59 HydrophobicContact CD1-CG 3.64Å; F44-F59 HydrophobicContact CE1-CB 4.06Å; F44-F59 HydrophobicContact CE1-CG 4.27Å; F44-F59 HydrophobicContact CG-CD2 4.46Å; A47-F59 HydrophobicContact CB-CE1 4.19Å; A47-F59 HydrophobicContact CB-CE2 3.71Å; A47-F59 HydrophobicContact CB-CZ 3.43Å; A47-F59 VanDerWaalsContact CB-CZ 3.43Å; A48-F59 HydrophobicContact CB-CE2 4.02Å; H51-F59 HydrophobicContact CB-CZ 4.5Å; H51-F59 AromaticContact CD2-CZ 3.84Å; Y53-F59 HydrophobicContact CD2-CE1 4.3Å; Y53-F59 AromaticContact CD2-CE2 4Å; Y53-F59 HydrophobicContact CD2-CE2 4Å; Y53-F59 AromaticContact CD2-CZ 3.76Å; Y53-F59 HydrophobicContact CD2-CZ 3.76Å; Y53-F59 HydrophobicContact CE2-CE1 4.1Å; Y53-F59 AromaticContact CE2-CZ 3.99Å; Y53-F59 HydrophobicContact CE2-CZ 3.99Å; R56-F59 WeakPolarHBondContact O-CD2 3.32Å; R56-F59 PolarHBondContact O-N 2.93Å; S57-F59 PolarHBondContact O-N 2.88Å; F59-L62 HydrophobicContact CD1-CD2 4.25Å; F59-E63 WeakPolarHBondContact O-CB 3.47Å; F59-E63 WeakPolarHBondContact O-CG 3.18Å; F59-E63 PolarHBondContact O-N 3.36Å; F59-A223 HydrophobicContact CB-CB 3.71Å
60	K	98.4	Very high	97.7	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.057	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-53.2	173.7	-58.2	175.4	-176.7	173.3	0	109.8	S57 A58 L62 E63 I64 W87 D155 P221 A223 E230 F232	S57-K60 VanDerWaalsContact O-CB 3.27Å; S57-K60 WeakPolarHBondContact O-CB 3.46Å; S57-K60 PolarHBondContact O-N 2.87Å; A58-K60 VanDerWaalsContact C-N 3.26Å; A58-K60 PolarHBondContact O-N 2.92Å; K60-L62 VanDerWaalsContact C-N 3.35Å; K60-E63 PolarHBondContact O-N 3.42Å; K60-I64 WeakPolarHBondContact O-CB 3.33Å; K60-I64 VanDerWaalsContact O-CD1 3.28Å; K60-I64 WeakPolarHBondContact O-CD1 3.35Å; K60-I64 WeakPolarHBondContact O-CG1 3.34Å; K60-I64 PolarHBondContact O-N 3.2Å; K60-W87 HydrophobicContact CB-CZ2 4.19Å; K60-D155 IonicContact NZ-OD1 2.99Å; K60-D155 PolarHBondContact NZ-OD1 2.79Å; K60-D155 VanDerWaalsContact NZ-OD1 3.16Å; K60-D155 IonicContact NZ-OD2 3.29Å; K60-D155 PolarHBondContact NZ-OD2 2.76Å; K60-P221 HydrophobicContact CB-CB 4.34Å; K60-P221 HydrophobicContact CB-CG 3.92Å; K60-P221 HydrophobicContact CG-CG 4.09Å; K60-A223 HydrophobicContact CG-CB 3.91Å; K60-E230 WeakPolarHBondContact CE-OE1 3.35Å; K60-E230 IonicContact NZ-OE1 3.77Å; K60-E230 PolarHBondContact NZ-OE1 3.22Å; K60-E230 IonicContact NZ-OE2 3.08Å; K60-E230 PolarHBondContact NZ-OE2 2.74Å; K60-F232 HydrophobicContact CD-CE2 4.17Å; K60-F232 HydrophobicContact CD-CZ 3.85Å
61	L	98.6	Very high	97.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-41.2	178.9	-178	59.3	0	0	0	111.2	A58 E63 I64 D65 L71 W87 I90 M153	A58-L61 PolarHBondContact O-N 3Å; L61-E63 PolarHBondContact O-N 2.84Å; L61-I64 PolarHBondContact O-N 2.87Å; L61-D65 VanDerWaalsContact O-CB 3.22Å; L61-D65 WeakPolarHBondContact O-CB 3.5Å; L61-D65 PolarHBondContact O-N 3.32Å; L61-L71 HydrophobicContact CD2-CD1 4.37Å; L61-W87 HydrophobicContact CB-CD2 3.76Å; L61-W87 HydrophobicContact CB-CE3 4.38Å; L61-W87 HydrophobicContact CB-CG 3.9Å; L61-W87 HydrophobicContact CB-CZ2 4.11Å; L61-W87 HydrophobicContact CD1-CD2 4.45Å; L61-W87 HydrophobicContact CD1-CE3 4.23Å; L61-W87 HydrophobicContact CD1-CZ3 4.32Å; L61-W87 HydrophobicContact CD2-CB 3.66Å; L61-W87 HydrophobicContact CD2-CD2 3.86Å; L61-W87 HydrophobicContact CD2-CE3 4.07Å; L61-W87 HydrophobicContact CD2-CG 3.71Å; L61-W87 WeakPolarHBondContact CD2-O 3.29Å; L61-W87 HydrophobicContact CG-CD2 4.24Å; L61-W87 HydrophobicContact CG-CE3 4.47Å; L61-W87 HydrophobicContact CG-CG 4.41Å; L61-I90 HydrophobicContact CD2-CB 3.97Å; L61-I90 HydrophobicContact CD2-CG2 4.21Å; L61-I90 HydrophobicContact CG-CB 4.41Å; L61-I90 HydrophobicContact CG-CG2 4.22Å; L61-M153 HydrophobicContact CD1-SD 4.26Å; L61-M153 HydrophobicContact CD2-CE 4.11Å; L61-M153 HydrophobicContact CD2-SD 3.55Å; L61-M153 VanDerWaalsContact CD2-SD 3.55Å
62	L	98.4	Very high	98	Very high	36 Å²	36	46.1 Å²	46.1	19%	0.188	22%	0.215	C	C	.	.	H	α-helix	trans	-55.2	-52.1	176.2	-167.5	90.2	0	0	0	111.3	A58 F59 K60 I64 D65 D66 I90	A58-L62 WeakPolarHBondContact O-CB 3.43Å; A58-L62 PolarHBondContact O-N 2.9Å; F59-L62 HydrophobicContact CD1-CD2 4.25Å; K60-L62 VanDerWaalsContact C-N 3.35Å; L62-I64 PolarHBondContact O-N 3.18Å; L62-D65 PolarHBondContact O-N 2.84Å; L62-D66 VanDerWaalsContact O-CB 3.26Å; L62-D66 WeakPolarHBondContact O-CB 3.24Å; L62-D66 VanDerWaalsContact O-CG 3.27Å; L62-D66 PolarHBondContact O-N 2.91Å; L62-I90 HydrophobicContact CD1-CD1 3.98Å; L62-I90 HydrophobicContact CD1-CG2 4.38Å
63	E	98.4	Very high	98.1	Very high	53 Å²	53	42 Å²	42	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-40.8	180	-74	174.7	-177.1	0	0	112.7	F59 K60 L61 K67 P221 K222 A223	F59-E63 WeakPolarHBondContact O-CB 3.47Å; F59-E63 WeakPolarHBondContact O-CG 3.18Å; F59-E63 PolarHBondContact O-N 3.36Å; K60-E63 PolarHBondContact O-N 3.42Å; L61-E63 PolarHBondContact O-N 2.84Å; E63-K67 WeakPolarHBondContact O-CB 3.38Å; E63-K67 PolarHBondContact O-N 2.97Å; E63-P221 HydrophobicContact CB-CB 4.37Å; E63-P221 WeakPolarHBondContact OE2-CA 3.42Å; E63-P221 VanDerWaalsContact OE2-CB 3.26Å; E63-P221 WeakPolarHBondContact OE2-CB 3.35Å; E63-K222 WeakPolarHBondContact OE2-CA 3.14Å; E63-K222 PolarHBondContact OE2-N 2.89Å; E63-A223 PolarHBondContact OE1-N 3.08Å; E63-A223 PolarHBondContact OE2-N 3.01Å
64	I	98.6	Very high	98.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-52.6	176.9	-69.7	163.8	0	0	0	109.6	K60 L61 L62 D66 K67 Y68 I193 V219 P221 F232	K60-I64 WeakPolarHBondContact O-CB 3.33Å; K60-I64 VanDerWaalsContact O-CD1 3.28Å; K60-I64 WeakPolarHBondContact O-CD1 3.35Å; K60-I64 WeakPolarHBondContact O-CG1 3.34Å; K60-I64 PolarHBondContact O-N 3.2Å; L61-I64 PolarHBondContact O-N 2.87Å; L62-I64 PolarHBondContact O-N 3.18Å; I64-D66 PolarHBondContact O-N 2.86Å; I64-K67 PolarHBondContact O-N 2.84Å; I64-Y68 HydrophobicContact CG2-CD2 4.09Å; I64-Y68 WeakPolarHBondContact O-CB 3.44Å; I64-Y68 WeakPolarHBondContact O-CD2 3.4Å; I64-Y68 PolarHBondContact O-N 2.77Å; I64-I193 HydrophobicContact CB-CD1 4.43Å; I64-I193 HydrophobicContact CD1-CD1 3.78Å; I64-I193 HydrophobicContact CG1-CD1 4.43Å; I64-I193 HydrophobicContact CG2-CD1 3.42Å; I64-I193 VanDerWaalsContact CG2-CD1 3.42Å; I64-V219 HydrophobicContact CG1-CG1 3.97Å; I64-P221 HydrophobicContact CD1-CB 4.46Å; I64-P221 HydrophobicContact CD1-CG 4.15Å; I64-P221 HydrophobicContact CG1-CB 4.29Å; I64-P221 HydrophobicContact CG1-CG 4.48Å; I64-F232 HydrophobicContact CD1-CD1 4.46Å; I64-F232 HydrophobicContact CD1-CD2 4.26Å; I64-F232 HydrophobicContact CD1-CG 4.18Å
65	D	98.6	Very high	98.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-39.1	-177.2	-175.7	52.7	0	0	0	111.7	L61 L62 K67 Y68 K69 L70 L71 R94	L61-D65 VanDerWaalsContact O-CB 3.22Å; L61-D65 WeakPolarHBondContact O-CB 3.5Å; L61-D65 PolarHBondContact O-N 3.32Å; L62-D65 PolarHBondContact O-N 2.84Å; D65-K67 PolarHBondContact O-N 3.5Å; D65-Y68 PolarHBondContact O-N 3.4Å; D65-K69 VanDerWaalsContact O-CA 3.22Å; D65-K69 WeakPolarHBondContact O-CA 3.26Å; D65-K69 PolarHBondContact O-N 3.37Å; D65-L70 WeakPolarHBondContact OD1-CA 3.27Å; D65-L70 PolarHBondContact OD1-N 3.12Å; D65-L71 HydrophobicContact CB-CD1 4.46Å; D65-L71 PolarHBondContact OD1-N 3.25Å; D65-R94 VanDerWaalsContact OD2-CD 3.24Å; D65-R94 WeakPolarHBondContact OD2-CD 3.15Å; D65-R94 WeakPolarHBondContact OD2-CG 3.48Å; D65-R94 IonicContact OD2-CZ 3.82Å; D65-R94 IonicContact OD2-NE 3.27Å; D65-R94 PolarHBondContact OD2-NE 3.33Å
66	D	98.3	Very high	98.2	Very high	67 Å²	67	38.2 Å²	38.2	36%	0.358	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-37.9	176	-81.7	-28.9	0	0	0	112.2	L62 I64 K69 R94	L62-D66 VanDerWaalsContact O-CB 3.26Å; L62-D66 WeakPolarHBondContact O-CB 3.24Å; L62-D66 VanDerWaalsContact O-CG 3.27Å; L62-D66 PolarHBondContact O-N 2.91Å; I64-D66 PolarHBondContact O-N 2.86Å; D66-K69 VanDerWaalsContact O-CE 3.27Å; D66-K69 WeakPolarHBondContact O-CE 3.45Å; D66-K69 PolarHBondContact O-NZ 2.99Å; D66-R94 IonicContact OD1-CZ 2.73Å; D66-R94 IonicContact OD1-NH1 3.49Å; D66-R94 PolarHBondContact OD1-NH1 3.24Å; D66-R94 IonicContact OD1-NH2 2.68Å; D66-R94 PolarHBondContact OD1-NH2 3.18Å; D66-R94 IonicContact OD2-NH2 3.6Å
67	K	98.3	Very high	98.3	Very high	149 Å²	149	36.4 Å²	36.4	65%	0.648	18%	0.177	S	C	*	.	H	α-helix	trans	-78.9	-43.9	179.4	-175.8	173.4	179.5	-170.2	0	112.7	E63 I64 D65	E63-K67 WeakPolarHBondContact O-CB 3.38Å; E63-K67 PolarHBondContact O-N 2.97Å; I64-K67 PolarHBondContact O-N 2.84Å; D65-K67 PolarHBondContact O-N 3.5Å
68	Y	98.1	Very high	98.4	Very high	35 Å²	35	35.5 Å²	35.5	14%	0.137	17%	0.171	C	C	.	.	H	α-helix	trans	-101.4	-17.8	-168.3	-64.9	-72.3	0	0	0	113.2	I64 D65 V219 L234 R236	I64-Y68 HydrophobicContact CG2-CD2 4.09Å; I64-Y68 WeakPolarHBondContact O-CB 3.44Å; I64-Y68 WeakPolarHBondContact O-CD2 3.4Å; I64-Y68 PolarHBondContact O-N 2.77Å; D65-Y68 PolarHBondContact O-N 3.4Å; Y68-V219 HydrophobicContact CD2-CG2 4.48Å; Y68-V219 HydrophobicContact CE2-CB 4.39Å; Y68-V219 HydrophobicContact CE2-CG1 3.73Å; Y68-V219 HydrophobicContact CE2-CG2 3.67Å; Y68-L234 HydrophobicContact CD1-CD2 3.6Å; Y68-L234 HydrophobicContact CD2-CD2 3.72Å; Y68-L234 HydrophobicContact CE1-CD2 4.14Å; Y68-L234 HydrophobicContact CE2-CD2 4.28Å; Y68-L234 HydrophobicContact CG-CD2 3.38Å; Y68-R236 VanDerWaalsContact C-NH2 3.35Å; Y68-R236 PolarHBondContact O-NH1 3.46Å; Y68-R236 PolarHBondContact O-NH2 3.06Å
69	K	97.7	Very high	98.4	Very high	119 Å²	119	35.6 Å²	35.6	52%	0.517	17%	0.171	S	C	.	.			trans	56.7	57.2	-175.6	-50.9	-53.2	-170.9	-162	0	111.4	D65 D66	D65-K69 VanDerWaalsContact O-CA 3.22Å; D65-K69 WeakPolarHBondContact O-CA 3.26Å; D65-K69 PolarHBondContact O-N 3.37Å; D66-K69 VanDerWaalsContact O-CE 3.27Å; D66-K69 WeakPolarHBondContact O-CE 3.45Å; D66-K69 PolarHBondContact O-NZ 2.99Å
70	L	97.3	Very high	98.5	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	17%	0.168	C	C	.	.			trans	-74.6	-39.3	-178.3	179.8	65.5	0	0	0	110.9	D65 V151 I193 L234	D65-L70 WeakPolarHBondContact OD1-CA 3.27Å; D65-L70 PolarHBondContact OD1-N 3.12Å; L70-V151 HydrophobicContact CD1-CG1 3.95Å; L70-V151 HydrophobicContact CD1-CG2 4.06Å; L70-V151 HydrophobicContact CD2-CG1 3.75Å; L70-V151 HydrophobicContact CG-CG1 3.74Å; L70-V151 HydrophobicContact CG-CG2 4.1Å; L70-V151 WeakPolarHBondContact O-CG2 3.28Å; L70-I193 HydrophobicContact CD2-CB 4.28Å; L70-I193 HydrophobicContact CD2-CG2 3.64Å; L70-L234 HydrophobicContact CD1-CD1 4.09Å
71	L	98.7	Very high	98.4	Very high	10 Å²	10	35 Å²	35	5%	0.052	17%	0.174	C	C	.	.			trans	-104.9	139.8	-173.9	-54.8	173.9	0	0	0	109.9	L61 D65 V77 A91 R94 V95 V151	L61-L71 HydrophobicContact CD2-CD1 4.37Å; D65-L71 HydrophobicContact CB-CD1 4.46Å; D65-L71 PolarHBondContact OD1-N 3.25Å; L71-V77 HydrophobicContact CD2-CG1 4.15Å; L71-V77 HydrophobicContact CD2-CG2 3.78Å; L71-A91 HydrophobicContact CD1-CB 4.24Å; L71-R94 HydrophobicContact CB-CB 3.57Å; L71-R94 HydrophobicContact CB-CG 4.26Å; L71-R94 HydrophobicContact CD1-CB 3.94Å; L71-R94 HydrophobicContact CD1-CG 4.05Å; L71-R94 HydrophobicContact CG-CB 4.42Å; L71-V95 HydrophobicContact CB-CG1 4.19Å; L71-V95 HydrophobicContact CD2-CG1 4.44Å; L71-V151 HydrophobicContact CD2-CB 4.3Å; L71-V151 HydrophobicContact CD2-CG1 4.12Å; L71-V151 HydrophobicContact CD2-CG2 4.25Å
72	K	98.3	Very high	98.4	Very high	110 Å²	110	35.3 Å²	35.3	48%	0.478	18%	0.176	S	C	.	.			trans	-144.5	153.4	179.2	-60.5	-176.9	-174.7	176.2	0	110	G74 F75 R94 V95	K72-G74 PolarHBondContact O-N 3.26Å; K72-F75 HydrophobicContact CB-CD1 4.04Å; K72-F75 HydrophobicContact CB-CD2 4.17Å; K72-F75 HydrophobicContact CB-CE1 3.96Å; K72-F75 HydrophobicContact CB-CE2 4.09Å; K72-F75 HydrophobicContact CB-CG 4.17Å; K72-F75 HydrophobicContact CB-CZ 4.01Å; K72-F75 HydrophobicContact CD-CE1 4.31Å; K72-F75 HydrophobicContact CD-CE2 4.22Å; K72-F75 HydrophobicContact CD-CZ 3.81Å; K72-F75 HydrophobicContact CG-CE2 4.12Å; K72-F75 HydrophobicContact CG-CZ 4.13Å; K72-F75 VanDerWaalsContact O-CB 3.27Å; K72-F75 WeakPolarHBondContact O-CB 3.22Å; K72-F75 WeakPolarHBondContact O-CG 3.43Å; K72-F75 PolarHBondContact O-N 2.85Å; K72-F75 VanDerWaalsContact O-N 3.15Å; K72-R94 CarbonylContact C-O 3.35Å; K72-V95 WeakPolarHBondContact O-CA 3.38Å; K72-V95 WeakPolarHBondContact O-CB 3.41Å; K72-V95 WeakPolarHBondContact O-CG1 3.44Å
73	P	98.6	Very high	98.4	Very high	49 Å²	49	35 Å²	35	32%	0.318	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	140.2	172	-26.3	35	0	0	0	112.1	F75 R94 N96 F104 P105	P73-F75 VanDerWaalsContact C-N 3.3Å; P73-F75 PolarHBondContact O-N 3.13Å; P73-R94 WeakPolarHBondContact CD-O 3.44Å; P73-N96 HydrophobicContact CB-CB 4.15Å; P73-F104 HydrophobicContact CB-CB 3.67Å; P73-F104 HydrophobicContact CB-CD1 4.49Å; P73-F104 HydrophobicContact CB-CG 4.21Å; P73-F104 HydrophobicContact CG-CB 4.11Å; P73-F104 HydrophobicContact CG-CD1 4.35Å; P73-F104 HydrophobicContact CG-CG 4.14Å; P73-P105 HydrophobicContact CB-CG 4.37Å
74	G	98.4	Very high	98.4	Very high	18 Å²	18	35.3 Å²	35.3	19%	0.186	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-8	-177.3	0	0	0	0	0	115.1	K72 V95 P105	K72-G74 PolarHBondContact O-N 3.26Å; G74-V95 PolarHBondContact N-O 3.3Å; G74-P105 PolarHBondContact N-O 3.47Å
75	F	98.8	Very high	98.3	Very high	51 Å²	51	35.2 Å²	35.2	22%	0.224	19%	0.185	C	C	.	.			trans	-77	140.1	-178.8	-79	17.1	0	0	0	112.3	K72 P73 V77 V95 G107 T108 H150 V151	K72-F75 HydrophobicContact CB-CD1 4.04Å; K72-F75 HydrophobicContact CB-CD2 4.17Å; K72-F75 HydrophobicContact CB-CE1 3.96Å; K72-F75 HydrophobicContact CB-CE2 4.09Å; K72-F75 HydrophobicContact CB-CG 4.17Å; K72-F75 HydrophobicContact CB-CZ 4.01Å; K72-F75 HydrophobicContact CD-CE1 4.31Å; K72-F75 HydrophobicContact CD-CE2 4.22Å; K72-F75 HydrophobicContact CD-CZ 3.81Å; K72-F75 HydrophobicContact CG-CE2 4.12Å; K72-F75 HydrophobicContact CG-CZ 4.13Å; K72-F75 VanDerWaalsContact O-CB 3.27Å; K72-F75 WeakPolarHBondContact O-CB 3.22Å; K72-F75 WeakPolarHBondContact O-CG 3.43Å; K72-F75 PolarHBondContact O-N 2.85Å; K72-F75 VanDerWaalsContact O-N 3.15Å; P73-F75 VanDerWaalsContact C-N 3.3Å; P73-F75 PolarHBondContact O-N 3.13Å; F75-V77 HydrophobicContact CB-CG2 4.37Å; F75-V95 HydrophobicContact CB-CB 4.45Å; F75-V95 HydrophobicContact CB-CG1 4Å; F75-G107 VanDerWaalsContact O-CA 3.25Å; F75-G107 WeakPolarHBondContact O-CA 3.48Å; F75-T108 PolarHBondContact O-N 3.45Å; F75-H150 HydrophobicContact CB-CB 3.89Å; F75-H150 HydrophobicContact CD1-CB 4.3Å; F75-H150 AromaticContact CD1-CD2 3.31Å; F75-H150 WeakPolarHBondContact CD1-CD2 3.41Å; F75-H150 AromaticContact CD1-CG 3.9Å; F75-H150 AromaticContact CD1-NE2 3.99Å; F75-H150 HydrophobicContact CD2-CB 3.67Å; F75-H150 AromaticContact CE1-CD2 3.54Å; F75-H150 HydrophobicContact CE2-CB 4.19Å; F75-H150 HydrophobicContact CG-CB 3.71Å; F75-H150 AromaticContact CG-CD2 3.65Å; F75-H150 AromaticContact CG-CG 3.75Å; F75-V151 HydrophobicContact CD2-CG2 4.07Å
76	N	98.9	Very high	98.3	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.1	166.9	-58.8	-22.6	0	0	0	109.4	T108 L144 P145 Q148 H150 V151	N76-T108 CarbonylContact C-O 3.54Å; N76-T108 WeakPolarHBondContact CA-O 3.33Å; N76-L144 HydrophobicContact CB-CD2 3.88Å; N76-P145 PolarHBondContact ND2-O 3Å; N76-Q148 WeakPolarHBondContact CB-O 3.49Å; N76-Q148 PolarHBondContact ND2-O 3.2Å; N76-H150 PolarHBondContact N-ND1 2.78Å; N76-H150 WeakPolarHBondContact O-CB 3.13Å; N76-H150 PolarHBondContact O-N 2.9Å; N76-V151 PolarHBondContact O-N 3.2Å
77	V	98.9	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.7	-172.5	-175.8	0	0	0	0	110.2	L71 F75 A91 V95 T108 V109 V110 V151 M153	L71-V77 HydrophobicContact CD2-CG1 4.15Å; L71-V77 HydrophobicContact CD2-CG2 3.78Å; F75-V77 HydrophobicContact CB-CG2 4.37Å; V77-A91 HydrophobicContact CG1-CB 4.27Å; V77-V95 HydrophobicContact CG2-CG1 3.63Å; V77-T108 PolarHBondContact N-O 3.11Å; V77-V109 WeakPolarHBondContact O-CA 3.04Å; V77-V110 PolarHBondContact O-N 3.1Å; V77-V151 WeakPolarHBondContact CA-O 3.5Å; V77-V151 HydrophobicContact CG1-CB 4.34Å; V77-V151 HydrophobicContact CG1-CG1 4.46Å; V77-V151 HydrophobicContact CG2-CB 4.35Å; V77-M153 HydrophobicContact CG1-CE 3.83Å; V77-M153 HydrophobicContact CG1-CG 4.16Å; V77-M153 HydrophobicContact CG1-SD 3.85Å
78	I	98.9	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.6	171.4	-54.7	176	0	0	0	109.1	V110 I112 L140 L144 A149 V151 I152 M153 V185	I78-V110 CarbonylContact C-O 3.57Å; I78-V110 WeakPolarHBondContact CA-O 3.35Å; I78-I112 HydrophobicContact CG2-CD1 3.68Å; I78-L140 HydrophobicContact CD1-CD2 4.48Å; I78-L140 HydrophobicContact CG2-CD2 4.32Å; I78-L144 HydrophobicContact CD1-CD1 3.81Å; I78-L144 HydrophobicContact CG1-CD1 4.14Å; I78-L144 HydrophobicContact CG1-CD2 4.31Å; I78-A149 HydrophobicContact CD1-CB 3.73Å; I78-A149 HydrophobicContact CG1-CB 3.9Å; I78-V151 PolarHBondContact N-O 2.91Å; I78-I152 HydrophobicContact CB-CG1 4.28Å; I78-I152 HydrophobicContact CD1-CG1 4.22Å; I78-M153 WeakPolarHBondContact O-CG 3.48Å; I78-M153 PolarHBondContact O-N 3.32Å; I78-V185 HydrophobicContact CD1-CB 4.31Å; I78-V185 HydrophobicContact CD1-CG2 3.45Å; I78-V185 VanDerWaalsContact CD1-CG2 3.45Å
79	D	98.8	Very high	98.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.011	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	102.2	174.5	-168.1	7.7	0	0	0	109.7	A82 W87 S88 V110 G111 I112 M153	D79-A82 HydrophobicContact CB-CB 3.95Å; D79-A82 WeakPolarHBondContact O-CB 3.39Å; D79-W87 WeakPolarHBondContact OD2-CB 3.34Å; D79-S88 WeakPolarHBondContact OD2-CB 3.36Å; D79-S88 PolarHBondContact OD2-N 3Å; D79-S88 PolarHBondContact OD2-OG 3.2Å; D79-V110 PolarHBondContact N-O 2.71Å; D79-G111 CarbonylContact O-C 3.46Å; D79-G111 WeakPolarHBondContact O-CA 3.11Å; D79-I112 PolarHBondContact O-N 3.25Å; D79-M153 HydrophobicContact CB-CE 3.49Å; D79-M153 VanDerWaalsContact CB-CE 3.49Å; D79-M153 HydrophobicContact CB-CG 4.25Å; D79-M153 VanDerWaalsContact CG-CE 3.48Å
80	C	98.6	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.8	-179.4	-59.3	0	0	0	0	110.5	I131 M153 S154 M156 L178	C80-I131 HydrophobicContact CB-CG1 4.46Å; C80-M153 PolarHBondContact N-O 3.19Å; C80-S154 WeakPolarHBondContact O-CA 3.34Å; C80-S154 PolarHBondContact O-OG 3.16Å; C80-M156 HydrophobicContact CB-CE 4.15Å; C80-M156 HydrophobicContact CB-SD 4.45Å; C80-L178 HydrophobicContact CB-CD2 3.66Å; C80-L178 VanDerWaalsContact SG-CD2 3.58Å
81	G	97.6	Very high	98.5	Very high	18 Å²	18	18.9 Å²	18.9	19%	0.186	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	41.3	-169.4	0	0	0	0	0	111.5	A83 I112 D113	G81-A83 VanDerWaalsContact C-N 3.27Å; G81-A83 PolarHBondContact O-N 3.49Å; G81-I112 PolarHBondContact N-O 3.28Å; G81-D113 WeakPolarHBondContact CA-OD2 3.49Å
82	A	98.3	Very high	98.5	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.041	11%	0.111	C	C	.	.			trans	-67.9	-23.2	-167.6	0	0	0	0	0	113.2	D79 P84 G85 I112 D113 I117	D79-A82 HydrophobicContact CB-CB 3.95Å; D79-A82 WeakPolarHBondContact O-CB 3.39Å; A82-P84 CarbonylContact O-C 3.29Å; A82-G85 WeakPolarHBondContact O-CA 3.33Å; A82-G85 PolarHBondContact O-N 2.87Å; A82-I112 PolarHBondContact N-O 3.26Å; A82-D113 PolarHBondContact N-OD2 2.82Å; A82-D113 VanDerWaalsContact N-OD2 3.12Å; A82-I117 HydrophobicContact CB-CD1 3.62Å
83	A	97.9	Very high	98.5	Very high	30 Å²	30	20 Å²	20	25%	0.248	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	131.5	-173.5	0	0	0	0	0	111.6	G81 D113 L115 I117	G81-A83 VanDerWaalsContact C-N 3.27Å; G81-A83 PolarHBondContact O-N 3.49Å; A83-D113 HydrophobicContact CB-CB 4Å; A83-D113 VanDerWaalsContact CB-OD2 3.23Å; A83-D113 WeakPolarHBondContact CB-OD2 3.3Å; A83-D113 PolarHBondContact N-OD2 3.42Å; A83-L115 HydrophobicContact CB-CB 4.01Å; A83-L115 HydrophobicContact CB-CD1 4.39Å; A83-I117 HydrophobicContact CB-CG1 4.1Å
84	P	98.1	Very high	98.5	Very high	60 Å²	60	21.5 Å²	21.5	39%	0.39	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.1	3.1	9.6	35.9	-37.4	0	0	0	115.1	R54 C55 A82	R54-P84 HydrophobicContact CB-CB 4.44Å; R54-P84 HydrophobicContact CB-CG 4.09Å; R54-P84 WeakPolarHBondContact CD-O 3.49Å; R54-P84 PolarHBondContact NH1-O 2.89Å; C55-P84 HydrophobicContact CB-CG 4.15Å; A82-P84 CarbonylContact O-C 3.29Å
85	G	98.1	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.			trans	112.2	17.2	177.5	0	0	0	0	0	113.5	A82 S88 Q89	A82-G85 WeakPolarHBondContact O-CA 3.33Å; A82-G85 PolarHBondContact O-N 2.87Å; G85-S88 WeakPolarHBondContact O-CB 3.33Å; G85-Q89 WeakPolarHBondContact O-CG 3.46Å; G85-Q89 PolarHBondContact O-N 2.86Å
86	A	98.4	Very high	98.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-71	-35.6	-173.4	0	0	0	0	0	113.1	R54 C55 A58	R54-A86 HydrophobicContact CB-CB 4.33Å; C55-A86 WeakPolarHBondContact SG-CB 3.42Å; A58-A86 HydrophobicContact CB-CB 4.17Å
87	W	98.8	Very high	98.5	Very high	6 Å²	6	18.8 Å²	18.8	2%	0.023	10%	0.102	C	C	.	.	H	α-helix	trans	-72.4	-43	173.7	-82.7	29.5	0	0	0	111	S57 K60 L61 D79 Q89 I90 A91 M153 D155 I193 F232	S57-W87 PolarHBondContact O-NE1 3.45Å; K60-W87 HydrophobicContact CB-CZ2 4.19Å; L61-W87 HydrophobicContact CB-CD2 3.76Å; L61-W87 HydrophobicContact CB-CE3 4.38Å; L61-W87 HydrophobicContact CB-CG 3.9Å; L61-W87 HydrophobicContact CB-CZ2 4.11Å; L61-W87 HydrophobicContact CD1-CD2 4.45Å; L61-W87 HydrophobicContact CD1-CE3 4.23Å; L61-W87 HydrophobicContact CD1-CZ3 4.32Å; L61-W87 HydrophobicContact CD2-CB 3.66Å; L61-W87 HydrophobicContact CD2-CD2 3.86Å; L61-W87 HydrophobicContact CD2-CE3 4.07Å; L61-W87 HydrophobicContact CD2-CG 3.71Å; L61-W87 WeakPolarHBondContact CD2-O 3.29Å; L61-W87 HydrophobicContact CG-CD2 4.24Å; L61-W87 HydrophobicContact CG-CE3 4.47Å; L61-W87 HydrophobicContact CG-CG 4.41Å; D79-W87 WeakPolarHBondContact OD2-CB 3.34Å; W87-Q89 VanDerWaalsContact C-N 3.28Å; W87-Q89 PolarHBondContact O-N 3.29Å; W87-I90 WeakPolarHBondContact O-CB 3.47Å; W87-I90 PolarHBondContact O-N 2.91Å; W87-A91 PolarHBondContact O-N 3.26Å; W87-M153 HydrophobicContact CB-CE 3.97Å; W87-M153 HydrophobicContact CB-SD 4.47Å; W87-M153 HydrophobicContact CE3-CB 3.9Å; W87-M153 HydrophobicContact CE3-CG 3.97Å; W87-M153 HydrophobicContact CE3-SD 4.04Å; W87-M153 HydrophobicContact CZ3-CB 3.88Å; W87-M153 HydrophobicContact CZ3-CG 4.46Å; W87-D155 HydrophobicContact CD2-CB 4.11Å; W87-D155 HydrophobicContact CE3-CB 4.37Å; W87-D155 HydrophobicContact CH2-CB 4.09Å; W87-D155 HydrophobicContact CZ2-CB 3.77Å; W87-D155 HydrophobicContact CZ3-CB 4.36Å; W87-I193 HydrophobicContact CZ3-CG2 4.2Å; W87-F232 AromaticContact CH2-CD1 3.94Å; W87-F232 HydrophobicContact CH2-CD1 3.94Å; W87-F232 AromaticContact CH2-CE1 3.43Å; W87-F232 HydrophobicContact CH2-CE1 3.43Å; W87-F232 VanDerWaalsContact CH2-CE1 3.43Å; W87-F232 HydrophobicContact CH2-CZ 4.26Å; W87-F232 AromaticContact CZ2-CE1 3.69Å; W87-F232 HydrophobicContact CZ2-CE1 3.69Å; W87-F232 HydrophobicContact CZ2-CZ 4.07Å
88	S	98.8	Very high	98.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-52.2	-40.8	169.6	-66.3	0	0	0	0	113.4	D79 G85 I90 A91 V92 F125	D79-S88 WeakPolarHBondContact OD2-CB 3.36Å; D79-S88 PolarHBondContact OD2-N 3Å; D79-S88 PolarHBondContact OD2-OG 3.2Å; G85-S88 WeakPolarHBondContact O-CB 3.33Å; S88-I90 VanDerWaalsContact C-N 3.33Å; S88-I90 PolarHBondContact O-N 3.3Å; S88-A91 PolarHBondContact O-N 3.41Å; S88-V92 VanDerWaalsContact O-CG2 3.32Å; S88-V92 WeakPolarHBondContact O-CG2 3.4Å; S88-V92 PolarHBondContact O-N 3.47Å; S88-F125 WeakPolarHBondContact OG-CE1 3.2Å
89	Q	98.7	Very high	98.4	Very high	24 Å²	24	22 Å²	22	11%	0.112	13%	0.126	C	C	.	.	H	α-helix	trans	-56.2	-45.9	173.8	-76.4	179.9	-67.7	0	0	112.3	N52 Y53 R54 G85 W87 H93 L120	N52-Q89 PolarHBondContact O-NE2 2.84Å; N52-Q89 VanDerWaalsContact O-NE2 3.16Å; Y53-Q89 HydrophobicContact CD1-CB 4.46Å; R54-Q89 VanDerWaalsContact CG-OE1 3.29Å; G85-Q89 WeakPolarHBondContact O-CG 3.46Å; G85-Q89 PolarHBondContact O-N 2.86Å; W87-Q89 VanDerWaalsContact C-N 3.28Å; W87-Q89 PolarHBondContact O-N 3.29Å; Q89-H93 PolarHBondContact O-CD2 3.21Å; Q89-L120 HydrophobicContact CB-CD2 4.41Å; Q89-L120 HydrophobicContact CG-CD1 3.9Å; Q89-L120 HydrophobicContact CG-CD2 3.85Å
90	I	98.8	Very high	98.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-47	177	-55.8	-54.8	0	0	0	110.1	Y53 A58 L61 L62 W87 S88 V92 H93 R94	Y53-I90 HydrophobicContact CD1-CD1 4.06Å; Y53-I90 HydrophobicContact CE1-CD1 3.34Å; Y53-I90 HydrophobicContact CE2-CD1 4.3Å; Y53-I90 VanDerWaalsContact CZ-CD1 3.48Å; A58-I90 HydrophobicContact CB-CD1 4.18Å; A58-I90 HydrophobicContact CB-CG1 4.14Å; L61-I90 HydrophobicContact CD2-CB 3.97Å; L61-I90 HydrophobicContact CD2-CG2 4.21Å; L61-I90 HydrophobicContact CG-CB 4.41Å; L61-I90 HydrophobicContact CG-CG2 4.22Å; L62-I90 HydrophobicContact CD1-CD1 3.98Å; L62-I90 HydrophobicContact CD1-CG2 4.38Å; W87-I90 WeakPolarHBondContact O-CB 3.47Å; W87-I90 PolarHBondContact O-N 2.91Å; S88-I90 VanDerWaalsContact C-N 3.33Å; S88-I90 PolarHBondContact O-N 3.3Å; I90-V92 PolarHBondContact O-N 3.33Å; I90-H93 PolarHBondContact O-N 3.46Å; I90-R94 HydrophobicContact CG2-CG 3.93Å; I90-R94 VanDerWaalsContact O-CG 3.26Å; I90-R94 WeakPolarHBondContact O-CG 3.48Å; I90-R94 PolarHBondContact O-N 3.29Å
91	A	98.9	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-45	-178	0	0	0	0	0	112.7	L71 V77 W87 S88 H93 R94 V95 V109 M153	L71-A91 HydrophobicContact CD1-CB 4.24Å; V77-A91 HydrophobicContact CG1-CB 4.27Å; W87-A91 PolarHBondContact O-N 3.26Å; S88-A91 PolarHBondContact O-N 3.41Å; A91-H93 VanDerWaalsContact C-N 3.26Å; A91-H93 PolarHBondContact O-N 2.73Å; A91-R94 PolarHBondContact O-N 2.85Å; A91-R94 VanDerWaalsContact O-N 3.08Å; A91-V95 WeakPolarHBondContact O-CG2 3.4Å; A91-V95 PolarHBondContact O-N 2.77Å; A91-V109 HydrophobicContact CB-CG1 4.2Å; A91-V109 HydrophobicContact CB-CG2 3.86Å; A91-M153 HydrophobicContact CB-CE 3.63Å; A91-M153 HydrophobicContact CB-SD 4.47Å
92	V	98.8	Very high	97.9	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-52.2	-46.8	178.6	164.6	0	0	0	0	111.4	S88 I90 N96 S97 T98 V109 L120 D121 A123	S88-V92 VanDerWaalsContact O-CG2 3.32Å; S88-V92 WeakPolarHBondContact O-CG2 3.4Å; S88-V92 PolarHBondContact O-N 3.47Å; I90-V92 PolarHBondContact O-N 3.33Å; V92-N96 PolarHBondContact O-N 3.02Å; V92-S97 PolarHBondContact O-N 2.62Å; V92-T98 HydrophobicContact CG1-CG2 3.85Å; V92-V109 HydrophobicContact CG2-CB 4.18Å; V92-V109 HydrophobicContact CG2-CG1 4.47Å; V92-V109 HydrophobicContact CG2-CG2 4Å; V92-L120 HydrophobicContact CG2-CD2 3.95Å; V92-L120 HydrophobicContact CG2-CG 4.48Å; V92-D121 WeakPolarHBondContact CG1-O 3.35Å; V92-A123 HydrophobicContact CG2-CB 3.84Å
93	H	98.3	Very high	97.8	Very high	139 Å²	139	39.9 Å²	39.9	64%	0.644	24%	0.244	S	C	*	.	H	α-helix	trans	-68.4	-46.5	177.4	-66.6	-60.1	0	0	0	112.1	Q89 I90 A91 V95 N96	Q89-H93 PolarHBondContact O-CD2 3.21Å; I90-H93 PolarHBondContact O-N 3.46Å; A91-H93 VanDerWaalsContact C-N 3.26Å; A91-H93 PolarHBondContact O-N 2.73Å; H93-V95 VanDerWaalsContact C-N 3.33Å; H93-V95 PolarHBondContact O-N 2.65Å; H93-N96 PolarHBondContact O-N 3.19Å
94	R	98.6	Very high	97.8	Very high	80 Å²	80	43.4 Å²	43.4	30%	0.302	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-31.8	-175.2	-66.1	-66.7	-176.1	177.4	6.2	113.5	D65 D66 L71 K72 P73 I90 A91	D65-R94 VanDerWaalsContact OD2-CD 3.24Å; D65-R94 WeakPolarHBondContact OD2-CD 3.15Å; D65-R94 WeakPolarHBondContact OD2-CG 3.48Å; D65-R94 IonicContact OD2-CZ 3.82Å; D65-R94 IonicContact OD2-NE 3.27Å; D65-R94 PolarHBondContact OD2-NE 3.33Å; D66-R94 IonicContact OD1-CZ 2.73Å; D66-R94 IonicContact OD1-NH1 3.49Å; D66-R94 PolarHBondContact OD1-NH1 3.24Å; D66-R94 IonicContact OD1-NH2 2.68Å; D66-R94 PolarHBondContact OD1-NH2 3.18Å; D66-R94 IonicContact OD2-NH2 3.6Å; L71-R94 HydrophobicContact CB-CB 3.57Å; L71-R94 HydrophobicContact CB-CG 4.26Å; L71-R94 HydrophobicContact CD1-CB 3.94Å; L71-R94 HydrophobicContact CD1-CG 4.05Å; L71-R94 HydrophobicContact CG-CB 4.42Å; K72-R94 CarbonylContact C-O 3.35Å; P73-R94 WeakPolarHBondContact CD-O 3.44Å; I90-R94 HydrophobicContact CG2-CG 3.93Å; I90-R94 VanDerWaalsContact O-CG 3.26Å; I90-R94 WeakPolarHBondContact O-CG 3.48Å; I90-R94 PolarHBondContact O-N 3.29Å; A91-R94 PolarHBondContact O-N 2.85Å; A91-R94 VanDerWaalsContact O-N 3.08Å
95	V	98.8	Very high	97.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	5.3	-179.4	-46.8	0	0	0	0	113.8	L71 K72 G74 F75 V77 A91 H93 S97 G107 V109	L71-V95 HydrophobicContact CB-CG1 4.19Å; L71-V95 HydrophobicContact CD2-CG1 4.44Å; K72-V95 WeakPolarHBondContact O-CA 3.38Å; K72-V95 WeakPolarHBondContact O-CB 3.41Å; K72-V95 WeakPolarHBondContact O-CG1 3.44Å; G74-V95 PolarHBondContact N-O 3.3Å; F75-V95 HydrophobicContact CB-CB 4.45Å; F75-V95 HydrophobicContact CB-CG1 4Å; V77-V95 HydrophobicContact CG2-CG1 3.63Å; A91-V95 WeakPolarHBondContact O-CG2 3.4Å; A91-V95 PolarHBondContact O-N 2.77Å; H93-V95 VanDerWaalsContact C-N 3.33Å; H93-V95 PolarHBondContact O-N 2.65Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 2.89Å; V95-G107 VanDerWaalsContact O-CA 3.32Å; V95-G107 WeakPolarHBondContact O-CA 3.26Å; V95-G107 PolarHBondContact O-N 2.8Å; V95-V109 HydrophobicContact CG2-CG2 3.69Å
96	N	98.6	Very high	97.8	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.064	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	41.2	-178.8	-170.4	40.4	0	0	0	112.6	P73 V92 H93 T98 G99 A100 N101 F104 P105 R106	P73-N96 HydrophobicContact CB-CB 4.15Å; V92-N96 PolarHBondContact O-N 3.02Å; H93-N96 PolarHBondContact O-N 3.19Å; N96-T98 VanDerWaalsContact C-N 3.33Å; N96-T98 PolarHBondContact O-N 2.83Å; N96-G99 PolarHBondContact O-N 2.84Å; N96-A100 PolarHBondContact OD1-N 2.86Å; N96-N101 PolarHBondContact ND2-O 3.12Å; N96-N101 PolarHBondContact OD1-N 3.31Å; N96-F104 PolarHBondContact ND2-O 3.21Å; N96-P105 PolarHBondContact ND2-O 2.77Å; N96-R106 WeakPolarHBondContact O-CA 3.48Å
97	S	98.4	Very high	97.8	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.063	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.8	-171.8	-162.4	0	0	0	0	112.8	V92 V95 G99 R106 G107 G122	V92-S97 PolarHBondContact O-N 2.62Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 2.89Å; S97-G99 PolarHBondContact O-N 3.23Å; S97-R106 PolarHBondContact O-NE 3.03Å; S97-R106 PolarHBondContact O-NH2 3.42Å; S97-G107 PolarHBondContact OG-O 2.94Å; S97-G122 WeakPolarHBondContact CB-O 3.36Å; S97-G122 PolarHBondContact OG-O 2.8Å
98	T	98.1	Very high	97.8	Very high	43 Å²	43	53.4 Å²	53.4	26%	0.264	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.8	174.1	57.4	0	0	0	0	113.1	V92 N96 A100 D121	V92-T98 HydrophobicContact CG1-CG2 3.85Å; N96-T98 VanDerWaalsContact C-N 3.33Å; N96-T98 PolarHBondContact O-N 2.83Å; T98-A100 VanDerWaalsContact C-N 3.26Å; T98-A100 WeakPolarHBondContact OG1-CB 3.22Å; T98-A100 PolarHBondContact OG1-N 2.86Å; T98-D121 WeakPolarHBondContact CG2-OD2 3.44Å
99	G	97.1	Very high	97.8	Very high	24 Å²	24	53.4 Å²	53.4	25%	0.247	30%	0.298	C	S	.	.			trans	70.2	21.5	-171.2	0	0	0	0	0	113.9	N96 S97 N101	N96-G99 PolarHBondContact O-N 2.84Å; S97-G99 PolarHBondContact O-N 3.23Å; G99-N101 PolarHBondContact O-N 2.83Å
100	A	95.1	Very high	97.8	Very high	90 Å²	90	52.2 Å²	52.2	74%	0.744	29%	0.292	S	S	*	.			trans	-59.1	-26.8	179.8	0	0	0	0	0	113.2	N96 T98	N96-A100 PolarHBondContact OD1-N 2.86Å; T98-A100 VanDerWaalsContact C-N 3.26Å; T98-A100 WeakPolarHBondContact OG1-CB 3.22Å; T98-A100 PolarHBondContact OG1-N 2.86Å
101	N	94.1	Very high	97.8	Very high	61 Å²	61	52.1 Å²	52.1	33%	0.326	29%	0.291	S	S	.	.	S	Bend	trans	-107.1	108.2	169.6	-169.6	-26.7	0	0	0	110.3	N96 G99 E103 F104	N96-N101 PolarHBondContact ND2-O 3.12Å; N96-N101 PolarHBondContact OD1-N 3.31Å; G99-N101 PolarHBondContact O-N 2.83Å; N101-E103 PolarHBondContact O-N 2.85Å; N101-E103 WeakPolarHBondContact OD1-CB 3.47Å; N101-E103 PolarHBondContact OD1-N 2.91Å; N101-F104 HydrophobicContact CB-CD2 4.1Å; N101-F104 VanDerWaalsContact CG-CD2 3.47Å; N101-F104 VanDerWaalsContact ND2-CD2 3.28Å; N101-F104 WeakPolarHBondContact ND2-CD2 3.45Å; N101-F104 VanDerWaalsContact ND2-CE2 3.31Å; N101-F104 WeakPolarHBondContact ND2-CE2 3.21Å; N101-F104 PolarHBondContact O-N 3.06Å
102	G	95.2	Very high	97.8	Very high	83 Å²	83	52.2 Å²	52.2	86%	0.856	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-12	-179.1	0	0	0	0	0	115.1	F104	G102-F104 VanDerWaalsContact C-N 3.34Å
103	E	96.9	Very high	97.8	Very high	168 Å²	168	53 Å²	53	79%	0.785	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-18	177.8	-58.5	-179.6	164	0	0	112.6	N101	N101-E103 PolarHBondContact O-N 2.85Å; N101-E103 WeakPolarHBondContact OD1-CB 3.47Å; N101-E103 PolarHBondContact OD1-N 2.91Å
104	F	97.4	Very high	97.8	Very high	104 Å²	104	51.3 Å²	51.3	46%	0.456	29%	0.291	S	S	.	.	S	Bend	trans	-114.3	149.4	-176.2	-65	-65.6	0	0	0	112	P73 N96 N101 G102	P73-F104 HydrophobicContact CB-CB 3.67Å; P73-F104 HydrophobicContact CB-CD1 4.49Å; P73-F104 HydrophobicContact CB-CG 4.21Å; P73-F104 HydrophobicContact CG-CB 4.11Å; P73-F104 HydrophobicContact CG-CD1 4.35Å; P73-F104 HydrophobicContact CG-CG 4.14Å; N96-F104 PolarHBondContact ND2-O 3.21Å; N101-F104 HydrophobicContact CB-CD2 4.1Å; N101-F104 VanDerWaalsContact CG-CD2 3.47Å; N101-F104 VanDerWaalsContact ND2-CD2 3.28Å; N101-F104 WeakPolarHBondContact ND2-CD2 3.45Å; N101-F104 VanDerWaalsContact ND2-CE2 3.31Å; N101-F104 WeakPolarHBondContact ND2-CE2 3.21Å; N101-F104 PolarHBondContact O-N 3.06Å; G102-F104 VanDerWaalsContact C-N 3.34Å
105	P	97.9	Very high	97.7	Very high	82 Å²	82	52.8 Å²	52.8	53%	0.532	31%	0.305	S	S	.	.			trans	-61.4	149.2	175.4	26.1	-34.2	0	0	0	111.4	P73 G74 N96	P73-P105 HydrophobicContact CB-CG 4.37Å; G74-P105 PolarHBondContact N-O 3.47Å; N96-P105 PolarHBondContact ND2-O 2.77Å
106	R	98.2	Very high	97.7	Very high	169 Å²	169	61.9 Å²	61.9	64%	0.638	34%	0.339	S	S	*	.			trans	-82.6	125	175.9	-65	-177.4	64.6	172.9	0.5	110	N96 S97	N96-R106 WeakPolarHBondContact O-CA 3.48Å; S97-R106 PolarHBondContact O-NE 3.03Å; S97-R106 PolarHBondContact O-NH2 3.42Å
107	G	98.4	Very high	97.7	Very high	4 Å²	4	61.6 Å²	61.6	4%	0.041	34%	0.337	C	S	.	.			trans	-85.7	-171.1	169.6	0	0	0	0	0	112.1	F75 V95 S97	F75-G107 VanDerWaalsContact O-CA 3.25Å; F75-G107 WeakPolarHBondContact O-CA 3.48Å; V95-G107 VanDerWaalsContact O-CA 3.32Å; V95-G107 WeakPolarHBondContact O-CA 3.26Å; V95-G107 PolarHBondContact O-N 2.8Å; S97-G107 PolarHBondContact OG-O 2.94Å
108	T	98.8	Very high	97.6	Very high	21 Å²	21	63.4 Å²	63.4	13%	0.129	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.7	175.4	-63.7	0	0	0	0	109.2	F75 N76 V77 V110 P145	F75-T108 PolarHBondContact O-N 3.45Å; N76-T108 CarbonylContact C-O 3.54Å; N76-T108 WeakPolarHBondContact CA-O 3.33Å; V77-T108 PolarHBondContact N-O 3.11Å; T108-V110 HydrophobicContact CG2-CG2 4.09Å; T108-P145 WeakPolarHBondContact OG1-CG 3.5Å
109	V	98.9	Very high	97.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.9	175.5	-179.3	0	0	0	0	108.9	V77 A91 V92 V95 A123 H124	V77-V109 WeakPolarHBondContact O-CA 3.04Å; A91-V109 HydrophobicContact CB-CG1 4.2Å; A91-V109 HydrophobicContact CB-CG2 3.86Å; V92-V109 HydrophobicContact CG2-CB 4.18Å; V92-V109 HydrophobicContact CG2-CG1 4.47Å; V92-V109 HydrophobicContact CG2-CG2 4Å; V95-V109 HydrophobicContact CG2-CG2 3.69Å; V109-A123 HydrophobicContact CB-CB 4.16Å; V109-A123 HydrophobicContact CG1-CB 4.11Å; V109-A123 WeakPolarHBondContact O-CA 3.45Å; V109-H124 PolarHBondContact O-N 2.9Å
110	V	98.9	Very high	97.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.7	173.7	-169.3	0	0	0	0	109.1	V77 I78 D79 T108 H124 L126 L140 L143 L144	V77-V110 PolarHBondContact O-N 3.1Å; I78-V110 CarbonylContact C-O 3.57Å; I78-V110 WeakPolarHBondContact CA-O 3.35Å; D79-V110 PolarHBondContact N-O 2.71Å; T108-V110 HydrophobicContact CG2-CG2 4.09Å; V110-H124 CarbonylContact C-O 3.52Å; V110-H124 VanDerWaalsContact CA-O 3.29Å; V110-H124 WeakPolarHBondContact CA-O 3.4Å; V110-H124 HydrophobicContact CG2-CB 4.5Å; V110-L126 HydrophobicContact CG1-CD1 4.5Å; V110-L126 HydrophobicContact CG1-CG 4.38Å; V110-L140 HydrophobicContact CB-CD2 4.08Å; V110-L140 HydrophobicContact CG1-CD2 3.54Å; V110-L143 HydrophobicContact CG1-CD1 3.82Å; V110-L143 HydrophobicContact CG2-CB 3.94Å; V110-L144 HydrophobicContact CG2-CD2 4.05Å; V110-L144 HydrophobicContact CG2-CG 4.43Å
111	G	98.7	Very high	97.8	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.2	175.8	0	0	0	0	0	112.1	D79 H124 F125 L126	D79-G111 CarbonylContact O-C 3.46Å; D79-G111 WeakPolarHBondContact O-CA 3.11Å; G111-H124 PolarHBondContact N-O 3.34Å; G111-F125 CarbonylContact O-C 3.52Å; G111-F125 WeakPolarHBondContact O-CA 3.34Å; G111-L126 PolarHBondContact O-N 3.17Å
112	I	98.7	Very high	98	Very high	2 Å²	2	67 Å²	67	1%	0.01	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.6	-175	-49.4	160	0	0	0	108.2	I78 D79 G81 A82 L126 H129 I131 T136 L140	I78-I112 HydrophobicContact CG2-CD1 3.68Å; D79-I112 PolarHBondContact O-N 3.25Å; G81-I112 PolarHBondContact N-O 3.28Å; A82-I112 PolarHBondContact N-O 3.26Å; I112-L126 HydrophobicContact CG1-CB 4.31Å; I112-L126 HydrophobicContact CG1-CD1 4.35Å; I112-L126 HydrophobicContact CG2-CB 4.41Å; I112-H129 HydrophobicContact CG2-CB 4.21Å; I112-I131 HydrophobicContact CB-CD1 4.45Å; I112-I131 HydrophobicContact CD1-CD1 3.25Å; I112-I131 HydrophobicContact CG1-CD1 4.46Å; I112-I131 HydrophobicContact CG2-CD1 4.29Å; I112-T136 HydrophobicContact CD1-CG2 4.42Å; I112-T136 HydrophobicContact CG2-CG2 3.82Å; I112-L140 HydrophobicContact CD1-CD1 3.5Å; I112-L140 VanDerWaalsContact CD1-CD1 3.5Å; I112-L140 HydrophobicContact CD1-CD2 3.47Å; I112-L140 VanDerWaalsContact CD1-CD2 3.47Å; I112-L140 HydrophobicContact CD1-CG 3.86Å; I112-L140 HydrophobicContact CG1-CD2 3.97Å
113	D	98.4	Very high	98.2	Very high	21 Å²	21	63.8 Å²	63.8	11%	0.112	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	153.2	175.3	-155.3	-71.9	0	0	0	111.1	G81 A82 A83 L115 I117 L126 S127 N128 H129	G81-D113 WeakPolarHBondContact CA-OD2 3.49Å; A82-D113 PolarHBondContact N-OD2 2.82Å; A82-D113 VanDerWaalsContact N-OD2 3.12Å; A83-D113 HydrophobicContact CB-CB 4Å; A83-D113 VanDerWaalsContact CB-OD2 3.23Å; A83-D113 WeakPolarHBondContact CB-OD2 3.3Å; A83-D113 PolarHBondContact N-OD2 3.42Å; D113-L115 PolarHBondContact O-N 3.22Å; D113-L115 WeakPolarHBondContact OD1-CB 3.4Å; D113-L115 WeakPolarHBondContact OD1-CG 3.32Å; D113-L115 PolarHBondContact OD1-N 3.23Å; D113-I117 HydrophobicContact CB-CD1 3.82Å; D113-I117 HydrophobicContact CB-CG1 4.1Å; D113-L126 PolarHBondContact N-O 3.06Å; D113-S127 CarbonylContact O-C 3.57Å; D113-N128 WeakPolarHBondContact O-CA 3.48Å; D113-N128 PolarHBondContact O-N 3.24Å; D113-H129 CarbonylContact C-O 3.5Å; D113-H129 VanDerWaalsContact C-O 3.29Å; D113-H129 PolarHBondContact O-N 2.98Å
114	L	97.6	Very high	98.3	Very high	104 Å²	104	60.4 Å²	60.4	55%	0.545	31%	0.311	S	S	.	.	S	Bend	trans	-67.6	-24.2	170.6	-65	174.2	0	0	0	111.6	N128 H129 D130	L114-N128 WeakPolarHBondContact O-CA 3.45Å; L114-N128 PolarHBondContact O-ND2 3.42Å; L114-N128 VanDerWaalsContact O-ND2 3.1Å; L114-H129 PolarHBondContact N-O 3.46Å; L114-D130 HydrophobicContact CD2-CB 3.81Å
115	L	97.6	Very high	98.3	Very high	112 Å²	112	57.5 Å²	57.5	59%	0.586	30%	0.298	S	S	*	.	S	Bend	trans	-92.7	157.9	177.9	-55.8	-178.8	0	0	0	111.5	A83 D113 I117	A83-L115 HydrophobicContact CB-CB 4.01Å; A83-L115 HydrophobicContact CB-CD1 4.39Å; D113-L115 PolarHBondContact O-N 3.22Å; D113-L115 WeakPolarHBondContact OD1-CB 3.4Å; D113-L115 WeakPolarHBondContact OD1-CG 3.32Å; D113-L115 PolarHBondContact OD1-N 3.23Å; L115-I117 PolarHBondContact O-N 3.29Å
116	R	97.8	Very high	98.3	Very high	190 Å²	190	54.4 Å²	54.4	72%	0.717	28%	0.278	S	S	*	.			trans	-68	130.4	171.3	-179.7	176.9	175.3	-98.2	1.4	110.3
117	I	98.3	Very high	98.3	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	26%	0.256	C	S	.	.			trans	-106	132.3	173.7	-49.3	172.5	0	0	0	108.6	A82 A83 D113 L115 F125 S127	A82-I117 HydrophobicContact CB-CD1 3.62Å; A83-I117 HydrophobicContact CB-CG1 4.1Å; D113-I117 HydrophobicContact CB-CD1 3.82Å; D113-I117 HydrophobicContact CB-CG1 4.1Å; L115-I117 PolarHBondContact O-N 3.29Å; I117-F125 HydrophobicContact CB-CB 4.31Å; I117-F125 HydrophobicContact CB-CD1 4.22Å; I117-F125 HydrophobicContact CB-CD2 4.09Å; I117-F125 HydrophobicContact CB-CE2 4.47Å; I117-F125 HydrophobicContact CB-CG 3.96Å; I117-F125 HydrophobicContact CD1-CB 4.3Å; I117-F125 HydrophobicContact CD1-CD1 3.57Å; I117-F125 HydrophobicContact CD1-CE1 4.09Å; I117-F125 HydrophobicContact CD1-CG 4.03Å; I117-F125 HydrophobicContact CG2-CD1 3.97Å; I117-F125 HydrophobicContact CG2-CD2 3.77Å; I117-F125 HydrophobicContact CG2-CE1 3.88Å; I117-F125 HydrophobicContact CG2-CE2 3.65Å; I117-F125 HydrophobicContact CG2-CG 3.93Å; I117-F125 HydrophobicContact CG2-CZ 3.72Å; I117-S127 PolarHBondContact N-OG 3.24Å
118	A	97.8	Very high	98.3	Very high	47 Å²	47	52.7 Å²	52.7	39%	0.388	28%	0.282	S	S	.	.			trans	-64.3	139.7	173.5	0	0	0	0	0	110.2	R54 F125	R54-A118 VanDerWaalsContact CZ-O 3.29Å; R54-A118 PolarHBondContact NH1-O 3.05Å; R54-A118 PolarHBondContact NH2-O 2.93Å; A118-F125 WeakPolarHBondContact O-CE2 3.28Å
119	P	98.2	Very high	98.2	Very high	110 Å²	110	53.6 Å²	53.6	71%	0.714	29%	0.285	S	S	*	.			trans	-52	143.2	178.6	-27.4	34.8	0	0	0	112.7	R54	R54-P119 PolarHBondContact NH2-O 3.2Å
120	L	98.3	Very high	98.1	Very high	36 Å²	36	56.7 Å²	56.7	19%	0.188	30%	0.301	C	S	.	.			trans	-135.3	126	177.4	178.7	66.2	0	0	0	107.3	Q89 V92 G122 A123 F125	Q89-L120 HydrophobicContact CB-CD2 4.41Å; Q89-L120 HydrophobicContact CG-CD1 3.9Å; Q89-L120 HydrophobicContact CG-CD2 3.85Å; V92-L120 HydrophobicContact CG2-CD2 3.95Å; V92-L120 HydrophobicContact CG2-CG 4.48Å; L120-G122 PolarHBondContact O-N 3.19Å; L120-A123 HydrophobicContact CB-CB 4.24Å; L120-A123 HydrophobicContact CD2-CB 4.11Å; L120-A123 HydrophobicContact CG-CB 4.39Å; L120-A123 PolarHBondContact O-N 3.17Å; L120-A123 VanDerWaalsContact O-N 3.11Å; L120-F125 HydrophobicContact CB-CE2 3.51Å; L120-F125 HydrophobicContact CB-CZ 3.83Å; L120-F125 HydrophobicContact CD2-CZ 4.19Å
121	D	98.2	Very high	98	Very high	131 Å²	131	57.5 Å²	57.5	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	138.1	176.3	-174.2	35.1	0	0	0	110.9	V92 T98 A123	V92-D121 WeakPolarHBondContact CG1-O 3.35Å; T98-D121 WeakPolarHBondContact CG2-OD2 3.44Å; D121-A123 VanDerWaalsContact C-N 3.3Å; D121-A123 PolarHBondContact O-N 3.31Å
122	G	98.1	Very high	97.8	Very high	16 Å²	16	61.3 Å²	61.3	17%	0.165	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	5.5	-173.7	0	0	0	0	0	116.1	S97 L120	S97-G122 WeakPolarHBondContact CB-O 3.36Å; S97-G122 PolarHBondContact OG-O 2.8Å; L120-G122 PolarHBondContact O-N 3.19Å
123	A	98.7	Very high	97.7	Very high	16 Å²	16	64.4 Å²	64.4	13%	0.132	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.2	172.9	0	0	0	0	0	112.4	V92 V109 L120 D121 F125	V92-A123 HydrophobicContact CG2-CB 3.84Å; V109-A123 HydrophobicContact CB-CB 4.16Å; V109-A123 HydrophobicContact CG1-CB 4.11Å; V109-A123 WeakPolarHBondContact O-CA 3.45Å; L120-A123 HydrophobicContact CB-CB 4.24Å; L120-A123 HydrophobicContact CD2-CB 4.11Å; L120-A123 HydrophobicContact CG-CB 4.39Å; L120-A123 PolarHBondContact O-N 3.17Å; L120-A123 VanDerWaalsContact O-N 3.11Å; D121-A123 VanDerWaalsContact C-N 3.3Å; D121-A123 PolarHBondContact O-N 3.31Å; A123-F125 HydrophobicContact CB-CE1 4.2Å; A123-F125 HydrophobicContact CB-CE2 4.25Å; A123-F125 HydrophobicContact CB-CZ 3.87Å
124	H	98.6	Very high	97.6	Very high	98 Å²	98	67.9 Å²	67.9	45%	0.454	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	169.7	-60.2	-80.3	0	0	0	109.2	V109 V110 G111 L143	V109-H124 PolarHBondContact O-N 2.9Å; V110-H124 CarbonylContact C-O 3.52Å; V110-H124 VanDerWaalsContact CA-O 3.29Å; V110-H124 WeakPolarHBondContact CA-O 3.4Å; V110-H124 HydrophobicContact CG2-CB 4.5Å; G111-H124 PolarHBondContact N-O 3.34Å; H124-L143 HydrophobicContact CB-CD1 4.19Å; H124-L143 HydrophobicContact CB-CD2 4.36Å
125	F	98.7	Very high	97.6	Very high	42 Å²	42	66.7 Å²	66.7	18%	0.184	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.3	179.8	-67.8	-53.7	0	0	0	112.2	S88 G111 I117 A118 L120 A123 S127	S88-F125 WeakPolarHBondContact OG-CE1 3.2Å; G111-F125 CarbonylContact O-C 3.52Å; G111-F125 WeakPolarHBondContact O-CA 3.34Å; I117-F125 HydrophobicContact CB-CB 4.31Å; I117-F125 HydrophobicContact CB-CD1 4.22Å; I117-F125 HydrophobicContact CB-CD2 4.09Å; I117-F125 HydrophobicContact CB-CE2 4.47Å; I117-F125 HydrophobicContact CB-CG 3.96Å; I117-F125 HydrophobicContact CD1-CB 4.3Å; I117-F125 HydrophobicContact CD1-CD1 3.57Å; I117-F125 HydrophobicContact CD1-CE1 4.09Å; I117-F125 HydrophobicContact CD1-CG 4.03Å; I117-F125 HydrophobicContact CG2-CD1 3.97Å; I117-F125 HydrophobicContact CG2-CD2 3.77Å; I117-F125 HydrophobicContact CG2-CE1 3.88Å; I117-F125 HydrophobicContact CG2-CE2 3.65Å; I117-F125 HydrophobicContact CG2-CG 3.93Å; I117-F125 HydrophobicContact CG2-CZ 3.72Å; A118-F125 WeakPolarHBondContact O-CE2 3.28Å; L120-F125 HydrophobicContact CB-CE2 3.51Å; L120-F125 HydrophobicContact CB-CZ 3.83Å; L120-F125 HydrophobicContact CD2-CZ 4.19Å; A123-F125 HydrophobicContact CB-CE1 4.2Å; A123-F125 HydrophobicContact CB-CE2 4.25Å; A123-F125 HydrophobicContact CB-CZ 3.87Å; F125-S127 VanDerWaalsContact C-N 3.28Å; F125-S127 PolarHBondContact O-N 3.39Å
126	L	98.3	Very high	97.6	Very high	18 Å²	18	61.4 Å²	61.4	9%	0.094	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	74.5	163.5	-59.5	-176.9	0	0	0	108.3	V110 G111 I112 D113 H129 T136 K139 L140 L143	V110-L126 HydrophobicContact CG1-CD1 4.5Å; V110-L126 HydrophobicContact CG1-CG 4.38Å; G111-L126 PolarHBondContact O-N 3.17Å; I112-L126 HydrophobicContact CG1-CB 4.31Å; I112-L126 HydrophobicContact CG1-CD1 4.35Å; I112-L126 HydrophobicContact CG2-CB 4.41Å; D113-L126 PolarHBondContact N-O 3.06Å; L126-H129 HydrophobicContact CB-CB 4.15Å; L126-T136 HydrophobicContact CD1-CG2 4.12Å; L126-K139 HydrophobicContact CD1-CB 3.89Å; L126-K139 HydrophobicContact CD2-CB 4.19Å; L126-K139 HydrophobicContact CD2-CD 4.21Å; L126-L140 HydrophobicContact CD1-CD2 4.08Å; L126-L140 HydrophobicContact CD1-CG 4.06Å; L126-L143 HydrophobicContact CD1-CD1 4.38Å; L126-L143 HydrophobicContact CD2-CD1 3.86Å; L126-L143 HydrophobicContact CG-CD1 4.13Å
127	S	97.9	Very high	97.5	Very high	26 Å²	26	53 Å²	53	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	146.3	174.7	-69.6	0	0	0	0	111	D113 I117 F125 H129	D113-S127 CarbonylContact O-C 3.57Å; I117-S127 PolarHBondContact N-OG 3.24Å; F125-S127 VanDerWaalsContact C-N 3.28Å; F125-S127 PolarHBondContact O-N 3.39Å; S127-H129 VanDerWaalsContact C-N 3.26Å; S127-H129 PolarHBondContact O-CE1 2.94Å; S127-H129 PolarHBondContact O-N 3.26Å; S127-H129 PolarHBondContact O-ND1 3.25Å
128	N	97.8	Very high	97.4	Very high	110 Å²	110	55 Å²	55	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	33.5	-179.3	-53.3	100.5	0	0	0	113.7	D113 L114	D113-N128 WeakPolarHBondContact O-CA 3.48Å; D113-N128 PolarHBondContact O-N 3.24Å; L114-N128 WeakPolarHBondContact O-CA 3.45Å; L114-N128 PolarHBondContact O-ND2 3.42Å; L114-N128 VanDerWaalsContact O-ND2 3.1Å
129	H	97.6	Very high	97.4	Very high	41 Å²	41	56.3 Å²	56.3	19%	0.19	32%	0.321	C	S	.	.			trans	-119.3	140.2	177.3	-74.2	66.9	0	0	0	110.3	I112 D113 L114 L126 S127 T136 K139	I112-H129 HydrophobicContact CG2-CB 4.21Å; D113-H129 CarbonylContact C-O 3.5Å; D113-H129 VanDerWaalsContact C-O 3.29Å; D113-H129 PolarHBondContact O-N 2.98Å; L114-H129 PolarHBondContact N-O 3.46Å; L126-H129 HydrophobicContact CB-CB 4.15Å; S127-H129 VanDerWaalsContact C-N 3.26Å; S127-H129 PolarHBondContact O-CE1 2.94Å; S127-H129 PolarHBondContact O-N 3.26Å; S127-H129 PolarHBondContact O-ND1 3.25Å; H129-T136 HydrophobicContact CB-CG2 4.02Å; H129-K139 PolarHBondContact NE2-NZ 3.49Å
130	D	96.6	Very high	97.3	Very high	65 Å²	65	51 Å²	51	35%	0.348	29%	0.287	S	S	.	.			trans	-87.2	131	172.3	-166.3	-44.9	0	0	0	109.5	L114 T132 D133 T136	L114-D130 HydrophobicContact CD2-CB 3.81Å; D130-T132 VanDerWaalsContact CG-OG1 3.27Å; D130-T132 PolarHBondContact O-N 2.88Å; D130-T132 WeakPolarHBondContact OD1-CB 3.44Å; D130-T132 PolarHBondContact OD1-N 2.69Å; D130-T132 PolarHBondContact OD1-OG1 3.03Å; D130-D133 HydrophobicContact CB-CB 4.29Å; D130-D133 WeakPolarHBondContact O-CB 3.36Å; D130-D133 PolarHBondContact O-N 3.14Å; D130-T136 WeakPolarHBondContact O-CB 3.27Å; D130-T136 WeakPolarHBondContact O-CG2 3.31Å; D130-T136 PolarHBondContact O-OG1 3.42Å
131	I	95.7	Very high	97.2	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.087	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.2	178.5	-167.6	54.7	0	0	0	113	C80 I112 H137 L140 L178 L181	C80-I131 HydrophobicContact CB-CG1 4.46Å; I112-I131 HydrophobicContact CB-CD1 4.45Å; I112-I131 HydrophobicContact CD1-CD1 3.25Å; I112-I131 HydrophobicContact CG1-CD1 4.46Å; I112-I131 HydrophobicContact CG2-CD1 4.29Å; I131-H137 PolarHBondContact O-CE1 3.34Å; I131-H137 VanDerWaalsContact O-CE1 3.23Å; I131-H137 PolarHBondContact O-NE2 2.81Å; I131-L140 HydrophobicContact CD1-CD1 4.36Å; I131-L178 HydrophobicContact CG1-CD2 4.48Å; I131-L181 HydrophobicContact CD1-CD1 4.43Å; I131-L181 HydrophobicContact CD1-CD2 3.66Å; I131-L181 HydrophobicContact CG1-CD2 4.02Å
132	T	95.5	Very high	97.1	Very high	80 Å²	80	54 Å²	54	49%	0.491	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.7	-179.3	65.5	0	0	0	0	112.9	D130 H137	D130-T132 VanDerWaalsContact CG-OG1 3.27Å; D130-T132 PolarHBondContact O-N 2.88Å; D130-T132 WeakPolarHBondContact OD1-CB 3.44Å; D130-T132 PolarHBondContact OD1-N 2.69Å; D130-T132 PolarHBondContact OD1-OG1 3.03Å; T132-H137 PolarHBondContact O-CE1 3.16Å
133	D	97.1	Very high	97.1	Very high	67 Å²	67	55.9 Å²	55.9	36%	0.358	30%	0.304	S	S	.	.			trans	-72.9	126.5	-176.1	-172.1	-16.7	0	0	0	111.5	D130 V135 T136 H137	D130-D133 HydrophobicContact CB-CB 4.29Å; D130-D133 WeakPolarHBondContact O-CB 3.36Å; D130-D133 PolarHBondContact O-N 3.14Å; D133-V135 PolarHBondContact O-N 2.95Å; D133-V135 PolarHBondContact OD1-N 2.97Å; D133-T136 WeakPolarHBondContact O-CB 3.44Å; D133-T136 PolarHBondContact O-N 3.29Å; D133-H137 PolarHBondContact O-N 3.05Å; D133-H137 VanDerWaalsContact O-N 3.13Å; D133-H137 PolarHBondContact O-ND1 3.02Å
134	P	95.4	Very high	97	Very high	94 Å²	94	55.4 Å²	55.4	61%	0.61	30%	0.299	S	S	*	.	H	α-helix	trans	-49.8	-33.9	170	-28.3	36.2	0	0	0	114.9	T136 H137 A138	P134-T136 VanDerWaalsContact C-N 3.35Å; P134-H137 WeakPolarHBondContact O-CB 3.39Å; P134-H137 PolarHBondContact O-N 2.71Å; P134-A138 PolarHBondContact O-N 2.96Å
135	V	96.8	Very high	96.9	Very high	79 Å²	79	54 Å²	54	48%	0.479	30%	0.298	S	S	.	.	H	α-helix	trans	-66.2	-39.7	177.6	177.8	0	0	0	0	111	D133 H137 A138 K139	D133-V135 PolarHBondContact O-N 2.95Å; D133-V135 PolarHBondContact OD1-N 2.97Å; V135-H137 VanDerWaalsContact C-N 3.33Å; V135-A138 PolarHBondContact O-N 3.21Å; V135-K139 WeakPolarHBondContact O-CG 3.48Å; V135-K139 PolarHBondContact O-N 2.84Å
136	T	97.3	Very high	96.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-42	173.9	-55.7	0	0	0	0	110.8	I112 L126 H129 D130 D133 P134 A138 K139 L140	I112-T136 HydrophobicContact CD1-CG2 4.42Å; I112-T136 HydrophobicContact CG2-CG2 3.82Å; L126-T136 HydrophobicContact CD1-CG2 4.12Å; H129-T136 HydrophobicContact CB-CG2 4.02Å; D130-T136 WeakPolarHBondContact O-CB 3.27Å; D130-T136 WeakPolarHBondContact O-CG2 3.31Å; D130-T136 PolarHBondContact O-OG1 3.42Å; D133-T136 WeakPolarHBondContact O-CB 3.44Å; D133-T136 PolarHBondContact O-N 3.29Å; P134-T136 VanDerWaalsContact C-N 3.35Å; T136-A138 PolarHBondContact O-N 3.02Å; T136-K139 PolarHBondContact O-N 3.12Å; T136-L140 HydrophobicContact CG2-CD1 4.49Å; T136-L140 WeakPolarHBondContact O-CG 3.38Å; T136-L140 PolarHBondContact O-N 3.1Å
137	H	96.1	Very high	96.6	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.065	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-43.7	175.8	-63	124.8	0	0	0	112.6	I131 T132 D133 P134 V135 L140 L141 L181 K184	I131-H137 PolarHBondContact O-CE1 3.34Å; I131-H137 VanDerWaalsContact O-CE1 3.23Å; I131-H137 PolarHBondContact O-NE2 2.81Å; T132-H137 PolarHBondContact O-CE1 3.16Å; D133-H137 PolarHBondContact O-N 3.05Å; D133-H137 VanDerWaalsContact O-N 3.13Å; D133-H137 PolarHBondContact O-ND1 3.02Å; P134-H137 WeakPolarHBondContact O-CB 3.39Å; P134-H137 PolarHBondContact O-N 2.71Å; V135-H137 VanDerWaalsContact C-N 3.33Å; H137-L140 WeakPolarHBondContact O-CB 3.43Å; H137-L140 PolarHBondContact O-N 2.98Å; H137-L141 WeakPolarHBondContact O-CG 3.21Å; H137-L141 PolarHBondContact O-N 2.84Å; H137-L141 VanDerWaalsContact O-N 3.15Å; H137-L181 WeakPolarHBondContact CD2-CD1 3.23Å; H137-K184 PolarHBondContact CE1-NZ 2.89Å; H137-K184 VanDerWaalsContact CE1-NZ 3.29Å; H137-K184 PolarHBondContact ND1-NZ 3.26Å
138	A	96.5	Very high	96.5	Very high	47 Å²	47	59.9 Å²	59.9	39%	0.388	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-47.5	177.4	0	0	0	0	0	111.7	P134 V135 T136 L140 L141 E142	P134-A138 PolarHBondContact O-N 2.96Å; V135-A138 PolarHBondContact O-N 3.21Å; T136-A138 PolarHBondContact O-N 3.02Å; A138-L140 VanDerWaalsContact C-N 3.28Å; A138-L140 PolarHBondContact O-N 2.85Å; A138-L141 PolarHBondContact O-N 3.15Å; A138-L141 VanDerWaalsContact O-N 3.15Å; A138-E142 PolarHBondContact O-N 3.1Å
139	K	97.6	Very high	96.6	Very high	75 Å²	75	54.6 Å²	54.6	33%	0.326	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-34.8	176.6	-68.7	-179.4	-176.9	-178.6	0	112.9	L126 H129 V135 T136 E142 L143	L126-K139 HydrophobicContact CD1-CB 3.89Å; L126-K139 HydrophobicContact CD2-CB 4.19Å; L126-K139 HydrophobicContact CD2-CD 4.21Å; H129-K139 PolarHBondContact NE2-NZ 3.49Å; V135-K139 WeakPolarHBondContact O-CG 3.48Å; V135-K139 PolarHBondContact O-N 2.84Å; T136-K139 PolarHBondContact O-N 3.12Å; K139-E142 PolarHBondContact O-N 2.97Å; K139-L143 WeakPolarHBondContact O-CG 3.44Å; K139-L143 PolarHBondContact O-N 3.4Å; K139-L143 VanDerWaalsContact O-N 3.13Å
140	L	96.3	Very high	96.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-46.1	174.6	-77.1	167.6	0	0	0	111.9	I78 V110 I112 L126 I131 T136 H137 A138 E142 L143 L144 L181	I78-L140 HydrophobicContact CD1-CD2 4.48Å; I78-L140 HydrophobicContact CG2-CD2 4.32Å; V110-L140 HydrophobicContact CB-CD2 4.08Å; V110-L140 HydrophobicContact CG1-CD2 3.54Å; I112-L140 HydrophobicContact CD1-CD1 3.5Å; I112-L140 VanDerWaalsContact CD1-CD1 3.5Å; I112-L140 HydrophobicContact CD1-CD2 3.47Å; I112-L140 VanDerWaalsContact CD1-CD2 3.47Å; I112-L140 HydrophobicContact CD1-CG 3.86Å; I112-L140 HydrophobicContact CG1-CD2 3.97Å; L126-L140 HydrophobicContact CD1-CD2 4.08Å; L126-L140 HydrophobicContact CD1-CG 4.06Å; I131-L140 HydrophobicContact CD1-CD1 4.36Å; T136-L140 HydrophobicContact CG2-CD1 4.49Å; T136-L140 WeakPolarHBondContact O-CG 3.38Å; T136-L140 PolarHBondContact O-N 3.1Å; H137-L140 WeakPolarHBondContact O-CB 3.43Å; H137-L140 PolarHBondContact O-N 2.98Å; A138-L140 VanDerWaalsContact C-N 3.28Å; A138-L140 PolarHBondContact O-N 2.85Å; L140-E142 VanDerWaalsContact C-N 3.25Å; L140-E142 PolarHBondContact O-N 3.25Å; L140-L143 PolarHBondContact O-N 2.97Å; L140-L143 VanDerWaalsContact O-N 3.17Å; L140-L144 HydrophobicContact CB-CD1 4.35Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 WeakPolarHBondContact O-CD1 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.48Å; L140-L181 HydrophobicContact CD1-CD1 3.98Å
141	L	95.8	Very high	96.7	Very high	68 Å²	68	51.5 Å²	51.5	36%	0.356	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-36.1	180	-65.8	168.2	0	0	0	111.5	H137 A138 A147 V185	H137-L141 WeakPolarHBondContact O-CG 3.21Å; H137-L141 PolarHBondContact O-N 2.84Å; H137-L141 VanDerWaalsContact O-N 3.15Å; A138-L141 PolarHBondContact O-N 3.15Å; A138-L141 VanDerWaalsContact O-N 3.15Å; L141-A147 HydrophobicContact CB-CB 4.29Å; L141-A147 HydrophobicContact CD2-CB 3.91Å; L141-A147 WeakPolarHBondContact CD2-O 3.36Å; L141-V185 HydrophobicContact CD2-CG1 3.85Å; L141-V185 HydrophobicContact CG-CG1 4.48Å
142	E	97.5	Very high	96.9	Very high	160 Å²	160	50.7 Å²	50.7	75%	0.748	30%	0.3	S	S	*	.	H	α-helix	trans	-66.4	-38.8	174.8	-68.4	172.4	-175.5	0	0	112.9	A138 K139 L140	A138-E142 PolarHBondContact O-N 3.1Å; K139-E142 PolarHBondContact O-N 2.97Å; L140-E142 VanDerWaalsContact C-N 3.25Å; L140-E142 PolarHBondContact O-N 3.25Å
143	L	97.5	Very high	97	Very high	56 Å²	56	46.9 Å²	46.9	29%	0.293	28%	0.277	S	S	.	.	H	α-helix	trans	-80.1	-22.6	-178.1	-70.4	172.6	0	0	0	113.5	V110 H124 L126 K139 L140	V110-L143 HydrophobicContact CG1-CD1 3.82Å; V110-L143 HydrophobicContact CG2-CB 3.94Å; H124-L143 HydrophobicContact CB-CD1 4.19Å; H124-L143 HydrophobicContact CB-CD2 4.36Å; L126-L143 HydrophobicContact CD1-CD1 4.38Å; L126-L143 HydrophobicContact CD2-CD1 3.86Å; L126-L143 HydrophobicContact CG-CD1 4.13Å; K139-L143 WeakPolarHBondContact O-CG 3.44Å; K139-L143 PolarHBondContact O-N 3.4Å; K139-L143 VanDerWaalsContact O-N 3.13Å; L140-L143 PolarHBondContact O-N 2.97Å; L140-L143 VanDerWaalsContact O-N 3.17Å
144	L	96.9	Very high	97.1	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	26%	0.26	C	S	.	.	S	Bend	trans	-90.3	123.5	-176.1	-69.5	165.1	0	0	0	110.8	N76 I78 V110 L140 G146 A147 A149	N76-L144 HydrophobicContact CB-CD2 3.88Å; I78-L144 HydrophobicContact CD1-CD1 3.81Å; I78-L144 HydrophobicContact CG1-CD1 4.14Å; I78-L144 HydrophobicContact CG1-CD2 4.31Å; V110-L144 HydrophobicContact CG2-CD2 4.05Å; V110-L144 HydrophobicContact CG2-CG 4.43Å; L140-L144 HydrophobicContact CB-CD1 4.35Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 WeakPolarHBondContact O-CD1 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.48Å; L144-G146 PolarHBondContact O-N 3.23Å; L144-A147 WeakPolarHBondContact O-CA 3.47Å; L144-A147 PolarHBondContact O-N 2.99Å; L144-A149 HydrophobicContact CD1-CB 4.43Å
145	P	96	Very high	97.2	Very high	68 Å²	68	40.4 Å²	40.4	44%	0.442	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-54.5	128.7	170.7	-25.9	33.5	0	0	0	111.6	N76 T108 A147	N76-P145 PolarHBondContact ND2-O 3Å; T108-P145 WeakPolarHBondContact OG1-CG 3.5Å; P145-A147 PolarHBondContact O-N 3.45Å
146	G	95.2	Very high	97.1	Very high	71 Å²	71	37.5 Å²	37.5	73%	0.732	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	67.4	13.6	-176.5	0	0	0	0	0	114.4	L144 Q148	L144-G146 PolarHBondContact O-N 3.23Å; G146-Q148 WeakPolarHBondContact O-CG 3.46Å; G146-Q148 PolarHBondContact O-N 3.43Å; G146-Q148 VanDerWaalsContact O-N 3.16Å
147	A	95.9	Very high	96.9	Very high	42 Å²	42	39.7 Å²	39.7	35%	0.347	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	55.4	28.6	-177.2	0	0	0	0	0	113.4	L141 L144 P145	L141-A147 HydrophobicContact CB-CB 4.29Å; L141-A147 HydrophobicContact CD2-CB 3.91Å; L141-A147 WeakPolarHBondContact CD2-O 3.36Å; L144-A147 WeakPolarHBondContact O-CA 3.47Å; L144-A147 PolarHBondContact O-N 2.99Å; P145-A147 PolarHBondContact O-N 3.45Å
148	Q	96.1	Very high	96.8	Very high	97 Å²	97	40 Å²	40	45%	0.453	24%	0.24	S	C	.	.			trans	-135.5	143	-173.5	-74.5	-179.4	-12.3	0	0	112.6	N76 G146 V185 Q187	N76-Q148 WeakPolarHBondContact CB-O 3.49Å; N76-Q148 PolarHBondContact ND2-O 3.2Å; G146-Q148 WeakPolarHBondContact O-CG 3.46Å; G146-Q148 PolarHBondContact O-N 3.43Å; G146-Q148 VanDerWaalsContact O-N 3.16Å; Q148-V185 CarbonylContact C-O 3.52Å; Q148-V185 WeakPolarHBondContact CA-O 3.49Å; Q148-Q187 HydrophobicContact CB-CB 4.38Å
149	A	98.3	Very high	96.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.7	172.6	0	0	0	0	0	110.9	I78 L144 V185 L186 Q187	I78-A149 HydrophobicContact CD1-CB 3.73Å; I78-A149 HydrophobicContact CG1-CB 3.9Å; L144-A149 HydrophobicContact CD1-CB 4.43Å; A149-V185 HydrophobicContact CB-CG2 4.31Å; A149-V185 PolarHBondContact N-O 3.29Å; A149-L186 HydrophobicContact CB-CD1 4.41Å; A149-Q187 WeakPolarHBondContact O-CG 3.28Å; A149-Q187 PolarHBondContact O-N 2.88Å
150	H	98.8	Very high	96.1	Very high	40 Å²	40	45.6 Å²	45.6	19%	0.185	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-35.6	170.2	-61.7	58.9	0	0	0	110.8	F75 N76 Q187 G190 S191	F75-H150 HydrophobicContact CB-CB 3.89Å; F75-H150 HydrophobicContact CD1-CB 4.3Å; F75-H150 AromaticContact CD1-CD2 3.31Å; F75-H150 WeakPolarHBondContact CD1-CD2 3.41Å; F75-H150 AromaticContact CD1-CG 3.9Å; F75-H150 AromaticContact CD1-NE2 3.99Å; F75-H150 HydrophobicContact CD2-CB 3.67Å; F75-H150 AromaticContact CE1-CD2 3.54Å; F75-H150 HydrophobicContact CE2-CB 4.19Å; F75-H150 HydrophobicContact CG-CB 3.71Å; F75-H150 AromaticContact CG-CD2 3.65Å; F75-H150 AromaticContact CG-CG 3.75Å; N76-H150 PolarHBondContact N-ND1 2.78Å; N76-H150 WeakPolarHBondContact O-CB 3.13Å; N76-H150 PolarHBondContact O-N 2.9Å; H150-Q187 PolarHBondContact CD2-NE2 3.32Å; H150-Q187 PolarHBondContact CE1-NE2 3.2Å; H150-Q187 PolarHBondContact ND1-NE2 3.49Å; H150-Q187 PolarHBondContact NE2-NE2 3.48Å; H150-Q187 VanDerWaalsContact NE2-NE2 3.11Å; H150-G190 WeakPolarHBondContact O-CA 3.29Å; H150-S191 PolarHBondContact O-N 3.04Å
151	V	98.9	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.6	-175.2	-179.8	0	0	0	0	110.3	L70 L71 F75 N76 V77 I78 S191	L70-V151 HydrophobicContact CD1-CG1 3.95Å; L70-V151 HydrophobicContact CD1-CG2 4.06Å; L70-V151 HydrophobicContact CD2-CG1 3.75Å; L70-V151 HydrophobicContact CG-CG1 3.74Å; L70-V151 HydrophobicContact CG-CG2 4.1Å; L70-V151 WeakPolarHBondContact O-CG2 3.28Å; L71-V151 HydrophobicContact CD2-CB 4.3Å; L71-V151 HydrophobicContact CD2-CG1 4.12Å; L71-V151 HydrophobicContact CD2-CG2 4.25Å; F75-V151 HydrophobicContact CD2-CG2 4.07Å; N76-V151 PolarHBondContact O-N 3.2Å; V77-V151 WeakPolarHBondContact CA-O 3.5Å; V77-V151 HydrophobicContact CG1-CB 4.34Å; V77-V151 HydrophobicContact CG1-CG1 4.46Å; V77-V151 HydrophobicContact CG2-CB 4.35Å; I78-V151 PolarHBondContact N-O 2.91Å; V151-S191 VanDerWaalsContact CA-O 3.3Å; V151-S191 WeakPolarHBondContact CA-O 3.42Å
152	I	98.9	Very high	95.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.2	162.4	-65.9	164.3	0	0	0	107.6	I78 L178 L181 A182 V185 L186 S191 L192 I193	I78-I152 HydrophobicContact CB-CG1 4.28Å; I78-I152 HydrophobicContact CD1-CG1 4.22Å; I152-L178 HydrophobicContact CG2-CD2 4.3Å; I152-L181 HydrophobicContact CD1-CD2 4.16Å; I152-L181 HydrophobicContact CD1-CG 4.11Å; I152-L181 HydrophobicContact CG2-CD2 4.36Å; I152-A182 HydrophobicContact CD1-CB 3.86Å; I152-V185 HydrophobicContact CD1-CG2 4.01Å; I152-L186 HydrophobicContact CD1-CB 4.1Å; I152-L186 HydrophobicContact CD1-CD1 4.18Å; I152-L186 HydrophobicContact CG1-CD1 4.15Å; I152-S191 PolarHBondContact N-O 3.33Å; I152-L192 HydrophobicContact CB-CD1 4.45Å; I152-L192 HydrophobicContact CB-CG 4.34Å; I152-L192 HydrophobicContact CG2-CD1 4.35Å; I152-L192 HydrophobicContact CG2-CG 4.38Å; I152-L192 CarbonylContact O-C 3.59Å; I152-L192 VanDerWaalsContact O-CA 3.28Å; I152-L192 WeakPolarHBondContact O-CA 3.27Å; I152-I193 PolarHBondContact O-N 3.33Å
153	M	98.8	Very high	95.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.9	177.9	65.1	-176.6	-171.8	0	0	111	L61 V77 I78 D79 C80 W87 A91 I193	L61-M153 HydrophobicContact CD1-SD 4.26Å; L61-M153 HydrophobicContact CD2-CE 4.11Å; L61-M153 HydrophobicContact CD2-SD 3.55Å; L61-M153 VanDerWaalsContact CD2-SD 3.55Å; V77-M153 HydrophobicContact CG1-CE 3.83Å; V77-M153 HydrophobicContact CG1-CG 4.16Å; V77-M153 HydrophobicContact CG1-SD 3.85Å; I78-M153 WeakPolarHBondContact O-CG 3.48Å; I78-M153 PolarHBondContact O-N 3.32Å; D79-M153 HydrophobicContact CB-CE 3.49Å; D79-M153 VanDerWaalsContact CB-CE 3.49Å; D79-M153 HydrophobicContact CB-CG 4.25Å; D79-M153 VanDerWaalsContact CG-CE 3.48Å; C80-M153 PolarHBondContact N-O 3.19Å; W87-M153 HydrophobicContact CB-CE 3.97Å; W87-M153 HydrophobicContact CB-SD 4.47Å; W87-M153 HydrophobicContact CE3-CB 3.9Å; W87-M153 HydrophobicContact CE3-CG 3.97Å; W87-M153 HydrophobicContact CE3-SD 4.04Å; W87-M153 HydrophobicContact CZ3-CB 3.88Å; W87-M153 HydrophobicContact CZ3-CG 4.46Å; A91-M153 HydrophobicContact CB-CE 3.63Å; A91-M153 HydrophobicContact CB-SD 4.47Å; M153-I193 CarbonylContact C-O 3.52Å; M153-I193 WeakPolarHBondContact CA-O 3.28Å; M153-I193 HydrophobicContact CB-CG2 3.54Å
154	S	98.5	Very high	94.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	123.9	-179.5	174.5	0	0	0	0	112.7	C80 M156 L178 I193 C194 K195	C80-S154 WeakPolarHBondContact O-CA 3.34Å; C80-S154 PolarHBondContact O-OG 3.16Å; S154-M156 WeakPolarHBondContact OG-CB 3.46Å; S154-M156 WeakPolarHBondContact OG-CE 3.48Å; S154-M156 WeakPolarHBondContact OG-CG 3.4Å; S154-M156 PolarHBondContact OG-N 2.96Å; S154-L178 VanDerWaalsContact CB-CD1 3.41Å; S154-I193 PolarHBondContact N-O 3.11Å; S154-C194 WeakPolarHBondContact O-CA 3.49Å; S154-K195 PolarHBondContact O-N 2.7Å
155	D	97.2	Very high	94.8	Very high	23 Å²	23	59 Å²	59	12%	0.123	36%	0.357	C	S	.	.			trans	-109.2	29.6	164.1	-162.7	17.8	0	0	0	110.4	S57 K60 W87 K195	S57-D155 VanDerWaalsContact CB-OD2 3.28Å; S57-D155 WeakPolarHBondContact CB-OD2 3.37Å; K60-D155 IonicContact NZ-OD1 2.99Å; K60-D155 PolarHBondContact NZ-OD1 2.79Å; K60-D155 VanDerWaalsContact NZ-OD1 3.16Å; K60-D155 IonicContact NZ-OD2 3.29Å; K60-D155 PolarHBondContact NZ-OD2 2.76Å; W87-D155 HydrophobicContact CD2-CB 4.11Å; W87-D155 HydrophobicContact CE3-CB 4.37Å; W87-D155 HydrophobicContact CH2-CB 4.09Å; W87-D155 HydrophobicContact CZ2-CB 3.77Å; W87-D155 HydrophobicContact CZ3-CB 4.36Å; D155-K195 WeakPolarHBondContact O-CE 3.31Å; D155-K195 PolarHBondContact O-NZ 3.01Å; D155-K195 VanDerWaalsContact OD1-CD 3.29Å; D155-K195 WeakPolarHBondContact OD1-CD 3.2Å; D155-K195 VanDerWaalsContact OD1-CE 3.28Å; D155-K195 WeakPolarHBondContact OD1-CE 3.5Å; D155-K195 IonicContact OD1-NZ 3.03Å; D155-K195 PolarHBondContact OD1-NZ 3.33Å
156	M	94.6	Very high	94.7	Very high	19 Å²	19	59.9 Å²	59.9	9%	0.094	36%	0.356	C	S	.	.			trans	-58.7	139.6	177.4	-78.8	-170.9	-62.4	0	0	112.3	C80 S154 L171 M174 L178 K195	C80-M156 HydrophobicContact CB-CE 4.15Å; C80-M156 HydrophobicContact CB-SD 4.45Å; S154-M156 WeakPolarHBondContact OG-CB 3.46Å; S154-M156 WeakPolarHBondContact OG-CE 3.48Å; S154-M156 WeakPolarHBondContact OG-CG 3.4Å; S154-M156 PolarHBondContact OG-N 2.96Å; M156-L171 WeakPolarHBondContact O-CD1 3.48Å; M156-M174 HydrophobicContact CB-CE 3.73Å; M156-M174 HydrophobicContact CE-CB 4.27Å; M156-M174 HydrophobicContact CG-CE 4.03Å; M156-M174 HydrophobicContact SD-CE 3.66Å; M156-L178 HydrophobicContact CE-CD1 3.99Å; M156-L178 HydrophobicContact CE-CD2 3.77Å; M156-L178 HydrophobicContact CE-CG 3.98Å; M156-K195 VanDerWaalsContact C-CE 3.49Å; M156-K195 WeakPolarHBondContact O-CE 3.44Å; M156-K195 PolarHBondContact O-NZ 3.17Å
157	A	93.5	Very high	94.7	Very high	46 Å²	46	57 Å²	57	38%	0.38	32%	0.324	S	S	.	.			trans	-139	144.4	165.9	0	0	0	0	0	109.5	W197	A157-W197 HydrophobicContact CB-CH2 4.45Å; A157-W197 HydrophobicContact CB-CZ2 4.2Å
158	P	93.6	Very high	94.7	Very high	20 Å²	20	55.9 Å²	55.9	13%	0.13	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-68.5	158.1	172.2	29.9	-34.4	0	0	0	110.7	A160 D167 K170 L171 M174 W197	P158-A160 PolarHBondContact O-N 3.36Å; P158-D167 WeakPolarHBondContact CG-O 3.42Å; P158-K170 HydrophobicContact CB-CB 3.92Å; P158-K170 HydrophobicContact CB-CD 4.27Å; P158-K170 HydrophobicContact CG-CB 4.06Å; P158-L171 HydrophobicContact CG-CB 4.26Å; P158-M174 HydrophobicContact CB-SD 4.3Å; P158-W197 HydrophobicContact CG-CH2 3.92Å; P158-W197 HydrophobicContact CG-CZ3 3.78Å
159	N	91.4	Very high	94.8	Very high	154 Å²	154	56.3 Å²	56.3	82%	0.824	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-60.3	128.2	164.8	-71.5	-33.1	0	0	0	109	S161	N159-S161 PolarHBondContact O-N 3.36Å
160	A	88.3	Confident	94.7	Very high	86 Å²	86	60.5 Å²	60.5	71%	0.711	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-63.6	118.3	-179.7	0	0	0	0	0	110.1	P158 D167	P158-A160 PolarHBondContact O-N 3.36Å; A160-D167 WeakPolarHBondContact CA-OD2 3.4Å
161	S	91.6	Very high	94.6	Very high	49 Å²	49	58.6 Å²	58.6	34%	0.343	32%	0.323	S	S	.	.			trans	-84.1	-17.6	174.2	65.7	0	0	0	0	112.4	N159 F163 D167	N159-S161 PolarHBondContact O-N 3.36Å; S161-F163 VanDerWaalsContact C-N 3.33Å; S161-F163 PolarHBondContact OG-N 3.25Å; S161-D167 VanDerWaalsContact CB-OD1 3.26Å; S161-D167 WeakPolarHBondContact CB-OD1 3.23Å; S161-D167 PolarHBondContact N-OD1 3.15Å; S161-D167 PolarHBondContact N-OD2 3.36Å; S161-D167 VanDerWaalsContact OG-CG 3.27Å; S161-D167 PolarHBondContact OG-OD1 3.01Å; S161-D167 PolarHBondContact OG-OD2 2.88Å
162	G	87.7	Confident	94.5	Very high	66 Å²	66	58.8 Å²	58.8	68%	0.68	32%	0.324	S	S	*	.	S	Bend	trans	93.3	-12.2	-171.5	0	0	0	0	0	113.3	D167	G162-D167 PolarHBondContact N-OD2 2.76Å
163	F	92.2	Very high	94.5	Very high	134 Å²	134	63.2 Å²	63.2	59%	0.588	35%	0.351	S	S	*	.			trans	-100.8	105.4	175.2	-61	-81	0	0	0	109.9	S161 E165 M166 D167	S161-F163 VanDerWaalsContact C-N 3.33Å; S161-F163 PolarHBondContact OG-N 3.25Å; F163-E165 PolarHBondContact O-N 2.86Å; F163-M166 HydrophobicContact CB-CB 4.08Å; F163-M166 PolarHBondContact O-N 3Å; F163-D167 WeakPolarHBondContact O-CB 3.34Å; F163-D167 PolarHBondContact O-N 3.08Å
164	K	91.6	Very high	94.4	Very high	178 Å²	178	65.8 Å²	65.8	77%	0.774	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-39.8	-171.3	-68.9	-177.6	-178.1	175.6	0	113.2	H168	K164-H168 VanDerWaalsContact O-CB 3.27Å; K164-H168 WeakPolarHBondContact O-CB 3.19Å; K164-H168 PolarHBondContact O-N 3.08Å
165	E	93.8	Very high	94.3	Very high	144 Å²	144	65.8 Å²	65.8	67%	0.673	36%	0.364	S	S	*	.	H	α-helix	trans	-64.7	-44.8	178.7	-61.8	96.8	-175.2	0	0	111.3	F163 D167 H168 E169	F163-E165 PolarHBondContact O-N 2.86Å; E165-D167 PolarHBondContact O-N 2.99Å; E165-H168 WeakPolarHBondContact O-CB 3.41Å; E165-H168 PolarHBondContact O-N 3.03Å; E165-E169 WeakPolarHBondContact O-CG 3.49Å; E165-E169 PolarHBondContact O-N 3.16Å
166	M	95	Very high	94.3	Very high	86 Å²	86	66.9 Å²	66.9	42%	0.424	37%	0.369	S	S	.	.	H	α-helix	trans	-64.8	-42.5	179.2	-172.9	-172.6	-62.7	0	0	112	F163 H168 E169 K170	F163-M166 HydrophobicContact CB-CB 4.08Å; F163-M166 PolarHBondContact O-N 3Å; M166-H168 VanDerWaalsContact C-N 3.29Å; M166-H168 PolarHBondContact O-N 2.68Å; M166-E169 PolarHBondContact O-N 2.91Å; M166-K170 HydrophobicContact CG-CD 4.42Å; M166-K170 WeakPolarHBondContact O-CG 3.27Å; M166-K170 PolarHBondContact O-N 2.85Å; M166-K170 PolarHBondContact SD-NZ 3.17Å
167	D	95.1	Very high	94.5	Very high	12 Å²	12	66.9 Å²	66.9	6%	0.064	37%	0.371	C	S	.	.	H	α-helix	trans	-64.5	-37.6	177.3	-71	-13.4	0	0	0	110.6	P158 A160 S161 G162 F163 E165 L171 W197	P158-D167 WeakPolarHBondContact CG-O 3.42Å; A160-D167 WeakPolarHBondContact CA-OD2 3.4Å; S161-D167 VanDerWaalsContact CB-OD1 3.26Å; S161-D167 WeakPolarHBondContact CB-OD1 3.23Å; S161-D167 PolarHBondContact N-OD1 3.15Å; S161-D167 PolarHBondContact N-OD2 3.36Å; S161-D167 VanDerWaalsContact OG-CG 3.27Å; S161-D167 PolarHBondContact OG-OD1 3.01Å; S161-D167 PolarHBondContact OG-OD2 2.88Å; G162-D167 PolarHBondContact N-OD2 2.76Å; F163-D167 WeakPolarHBondContact O-CB 3.34Å; F163-D167 PolarHBondContact O-N 3.08Å; E165-D167 PolarHBondContact O-N 2.99Å; D167-L171 PolarHBondContact O-N 3.35Å; D167-L171 VanDerWaalsContact O-N 3.13Å; D167-W197 HydrophobicContact CB-CZ3 3.76Å; D167-W197 WeakPolarHBondContact O-CZ3 3.39Å
168	H	95.6	Very high	94.7	Very high	18 Å²	18	64.7 Å²	64.7	8%	0.083	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-51.1	172.2	175.7	75	0	0	0	112.3	K164 E165 M166 K170 L171 I172 W197 L201	K164-H168 VanDerWaalsContact O-CB 3.27Å; K164-H168 WeakPolarHBondContact O-CB 3.19Å; K164-H168 PolarHBondContact O-N 3.08Å; E165-H168 WeakPolarHBondContact O-CB 3.41Å; E165-H168 PolarHBondContact O-N 3.03Å; M166-H168 VanDerWaalsContact C-N 3.29Å; M166-H168 PolarHBondContact O-N 2.68Å; H168-K170 VanDerWaalsContact C-N 3.31Å; H168-K170 PolarHBondContact O-N 2.73Å; H168-L171 PolarHBondContact O-N 2.96Å; H168-I172 VanDerWaalsContact O-CG1 3.31Å; H168-I172 WeakPolarHBondContact O-CG1 3.47Å; H168-I172 PolarHBondContact O-N 3.45Å; H168-W197 PolarHBondContact CE1-O 3.17Å; H168-W197 PolarHBondContact ND1-O 2.87Å; H168-L201 PolarHBondContact NE2-N 2.88Å
169	E	96.8	Very high	94.8	Very high	105 Å²	105	64.8 Å²	64.8	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-58.6	-41.6	178.7	-74.7	176.5	-172.6	0	0	112.6	E165 M166 I172 T173 L201	E165-E169 WeakPolarHBondContact O-CG 3.49Å; E165-E169 PolarHBondContact O-N 3.16Å; M166-E169 PolarHBondContact O-N 2.91Å; E169-I172 PolarHBondContact O-N 2.77Å; E169-T173 WeakPolarHBondContact O-CB 3.39Å; E169-T173 PolarHBondContact O-N 2.91Å; E169-T173 PolarHBondContact O-OG1 2.72Å; E169-L201 HydrophobicContact CG-CD1 3.82Å
170	K	96.8	Very high	95	Very high	88 Å²	88	62.4 Å²	62.4	38%	0.383	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-47.7	175.5	-74.9	171.1	-177.9	167	0	111.4	P158 M166 H168 I172 T173 M174	P158-K170 HydrophobicContact CB-CB 3.92Å; P158-K170 HydrophobicContact CB-CD 4.27Å; P158-K170 HydrophobicContact CG-CB 4.06Å; M166-K170 HydrophobicContact CG-CD 4.42Å; M166-K170 WeakPolarHBondContact O-CG 3.27Å; M166-K170 PolarHBondContact O-N 2.85Å; M166-K170 PolarHBondContact SD-NZ 3.17Å; H168-K170 VanDerWaalsContact C-N 3.31Å; H168-K170 PolarHBondContact O-N 2.73Å; K170-I172 VanDerWaalsContact C-N 3.33Å; K170-I172 PolarHBondContact O-N 3.27Å; K170-T173 WeakPolarHBondContact O-CB 3.43Å; K170-T173 PolarHBondContact O-N 3.35Å; K170-M174 VanDerWaalsContact O-CG 3.24Å; K170-M174 WeakPolarHBondContact O-CG 3.17Å; K170-M174 PolarHBondContact O-N 3.24Å
171	L	96.8	Very high	95.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-38.7	179.3	-179.5	54	0	0	0	112.3	M156 P158 D167 H168 M174 S175 W197	M156-L171 WeakPolarHBondContact O-CD1 3.48Å; P158-L171 HydrophobicContact CG-CB 4.26Å; D167-L171 PolarHBondContact O-N 3.35Å; D167-L171 VanDerWaalsContact O-N 3.13Å; H168-L171 PolarHBondContact O-N 2.96Å; L171-M174 PolarHBondContact O-N 2.67Å; L171-S175 WeakPolarHBondContact O-CB 3.48Å; L171-S175 PolarHBondContact O-N 3Å; L171-S175 PolarHBondContact O-OG 3.33Å; L171-W197 HydrophobicContact CB-CE3 4.19Å; L171-W197 HydrophobicContact CB-CZ3 4.36Å; L171-W197 HydrophobicContact CD2-CB 4.11Å; L171-W197 HydrophobicContact CD2-CD2 3.41Å; L171-W197 VanDerWaalsContact CD2-CD2 3.41Å; L171-W197 HydrophobicContact CD2-CE3 3.61Å; L171-W197 HydrophobicContact CD2-CG 3.63Å; L171-W197 HydrophobicContact CD2-CZ2 4.43Å; L171-W197 HydrophobicContact CD2-CZ3 4.17Å
172	I	97.6	Very high	95.7	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-44.5	174.8	-66.1	-69.8	0	0	0	110.5	H168 E169 K170 M174 S175 L176 L201 L205	H168-I172 VanDerWaalsContact O-CG1 3.31Å; H168-I172 WeakPolarHBondContact O-CG1 3.47Å; H168-I172 PolarHBondContact O-N 3.45Å; E169-I172 PolarHBondContact O-N 2.77Å; K170-I172 VanDerWaalsContact C-N 3.33Å; K170-I172 PolarHBondContact O-N 3.27Å; I172-M174 PolarHBondContact O-N 3.42Å; I172-S175 WeakPolarHBondContact O-CB 3.27Å; I172-S175 PolarHBondContact O-N 3.24Å; I172-L176 HydrophobicContact CG2-CD1 4.15Å; I172-L176 HydrophobicContact CG2-CG 4.44Å; I172-L176 WeakPolarHBondContact O-CG 3.33Å; I172-L176 PolarHBondContact O-N 3.05Å; I172-L201 HydrophobicContact CD1-CB 4.49Å; I172-L201 HydrophobicContact CG1-CB 4.07Å; I172-L201 HydrophobicContact CG2-CB 4.14Å; I172-L205 HydrophobicContact CD1-CB 4.09Å; I172-L205 HydrophobicContact CD1-CD2 3.81Å
173	T	97.4	Very high	96	Very high	92 Å²	92	55.6 Å²	55.6	56%	0.564	28%	0.28	S	S	*	.	H	α-helix	trans	-59.9	-44.9	176.3	-56.5	0	0	0	0	111.7	E169 K170 S175 L176 S177	E169-T173 WeakPolarHBondContact O-CB 3.39Å; E169-T173 PolarHBondContact O-N 2.91Å; E169-T173 PolarHBondContact O-OG1 2.72Å; K170-T173 WeakPolarHBondContact O-CB 3.43Å; K170-T173 PolarHBondContact O-N 3.35Å; T173-S175 PolarHBondContact O-N 2.88Å; T173-L176 PolarHBondContact O-N 3.42Å; T173-S177 PolarHBondContact O-N 2.88Å; T173-S177 VanDerWaalsContact O-N 3.11Å
174	M	97	Very high	96.1	Very high	55 Å²	55	54.7 Å²	54.7	27%	0.271	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-31.5	174.2	-65.5	170.2	81.9	0	0	112.6	M156 P158 K170 L171 I172 S177	M156-M174 HydrophobicContact CB-CE 3.73Å; M156-M174 HydrophobicContact CE-CB 4.27Å; M156-M174 HydrophobicContact CG-CE 4.03Å; M156-M174 HydrophobicContact SD-CE 3.66Å; P158-M174 HydrophobicContact CB-SD 4.3Å; K170-M174 VanDerWaalsContact O-CG 3.24Å; K170-M174 WeakPolarHBondContact O-CG 3.17Å; K170-M174 PolarHBondContact O-N 3.24Å; L171-M174 PolarHBondContact O-N 2.67Å; I172-M174 PolarHBondContact O-N 3.42Å; M174-S177 PolarHBondContact O-OG 3.23Å
175	S	97.3	Very high	96.3	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-77.5	-33.5	177.3	-59	0	0	0	0	112.2	L171 I172 T173 L178 K195	L171-S175 WeakPolarHBondContact O-CB 3.48Å; L171-S175 PolarHBondContact O-N 3Å; L171-S175 PolarHBondContact O-OG 3.33Å; I172-S175 WeakPolarHBondContact O-CB 3.27Å; I172-S175 PolarHBondContact O-N 3.24Å; T173-S175 PolarHBondContact O-N 2.88Å; S175-L178 WeakPolarHBondContact O-CB 3.36Å; S175-L178 PolarHBondContact O-N 2.97Å; S175-K195 PolarHBondContact OG-O 3.12Å
176	L	97.4	Very high	96.5	Very high	46 Å²	46	40.1 Å²	40.1	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-39.5	174.5	-71.4	170.5	0	0	0	111.3	I172 T173 L178 I179 D180 L205 K208	I172-L176 HydrophobicContact CG2-CD1 4.15Å; I172-L176 HydrophobicContact CG2-CG 4.44Å; I172-L176 WeakPolarHBondContact O-CG 3.33Å; I172-L176 PolarHBondContact O-N 3.05Å; T173-L176 PolarHBondContact O-N 3.42Å; L176-L178 PolarHBondContact O-N 3.46Å; L176-I179 HydrophobicContact CD2-CD1 4.09Å; L176-I179 WeakPolarHBondContact O-CA 3.37Å; L176-I179 VanDerWaalsContact O-CB 3.27Å; L176-I179 WeakPolarHBondContact O-CB 3.04Å; L176-I179 PolarHBondContact O-N 3.06Å; L176-D180 PolarHBondContact O-N 2.91Å; L176-L205 HydrophobicContact CD2-CD1 3.79Å; L176-L205 HydrophobicContact CG-CD1 4.15Å; L176-K208 HydrophobicContact CD2-CB 4.08Å; L176-K208 HydrophobicContact CD2-CG 3.99Å
177	S	97.4	Very high	96.6	Very high	19 Å²	19	38.5 Å²	38.5	13%	0.133	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-23.3	176.6	69.4	0	0	0	0	113.4	T173 M174 I179 D180 L181	T173-S177 PolarHBondContact O-N 2.88Å; T173-S177 VanDerWaalsContact O-N 3.11Å; M174-S177 PolarHBondContact O-OG 3.23Å; S177-I179 VanDerWaalsContact C-N 3.3Å; S177-D180 PolarHBondContact O-N 3.23Å; S177-L181 PolarHBondContact O-N 3.21Å
178	L	98	Very high	96.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.7	-27.6	171.6	-59.4	173.7	0	0	0	112.6	C80 I131 I152 S154 M156 S175 L176 L181 A182 L192 C194	C80-L178 HydrophobicContact CB-CD2 3.66Å; C80-L178 VanDerWaalsContact SG-CD2 3.58Å; I131-L178 HydrophobicContact CG1-CD2 4.48Å; I152-L178 HydrophobicContact CG2-CD2 4.3Å; S154-L178 VanDerWaalsContact CB-CD1 3.41Å; M156-L178 HydrophobicContact CE-CD1 3.99Å; M156-L178 HydrophobicContact CE-CD2 3.77Å; M156-L178 HydrophobicContact CE-CG 3.98Å; S175-L178 WeakPolarHBondContact O-CB 3.36Å; S175-L178 PolarHBondContact O-N 2.97Å; L176-L178 PolarHBondContact O-N 3.46Å; L178-L181 HydrophobicContact CD2-CD2 4.44Å; L178-A182 WeakPolarHBondContact O-CB 3.5Å; L178-A182 PolarHBondContact O-N 2.68Å; L178-L192 HydrophobicContact CB-CD1 3.94Å; L178-C194 HydrophobicContact CD1-CB 3.66Å
179	I	97.1	Very high	96.8	Very high	22 Å²	22	42.6 Å²	42.6	11%	0.113	24%	0.238	C	C	.	.	H	α-helix	trans	-70.2	-41.1	173.1	-53.2	-179.6	0	0	0	109.4	L176 S177 L181 A182 A183 L205 K208 L209 V212	L176-I179 HydrophobicContact CD2-CD1 4.09Å; L176-I179 WeakPolarHBondContact O-CA 3.37Å; L176-I179 VanDerWaalsContact O-CB 3.27Å; L176-I179 WeakPolarHBondContact O-CB 3.04Å; L176-I179 PolarHBondContact O-N 3.06Å; S177-I179 VanDerWaalsContact C-N 3.3Å; I179-L181 VanDerWaalsContact C-N 3.35Å; I179-A182 WeakPolarHBondContact O-CB 3.36Å; I179-A182 PolarHBondContact O-N 3.37Å; I179-A183 PolarHBondContact O-N 3.27Å; I179-A183 VanDerWaalsContact O-N 3.11Å; I179-L205 HydrophobicContact CD1-CD1 4.17Å; I179-K208 HydrophobicContact CD1-CB 3.78Å; I179-L209 HydrophobicContact CD1-CD2 3.77Å; I179-L209 HydrophobicContact CD1-CG 3.94Å; I179-L209 HydrophobicContact CG1-CD2 3.79Å; I179-L209 HydrophobicContact CG1-CG 4.49Å; I179-V212 HydrophobicContact CG2-CG2 4.02Å
180	D	95.3	Very high	96.9	Very high	104 Å²	104	37.8 Å²	37.8	56%	0.556	22%	0.216	S	C	*	.	H	α-helix	trans	-64.3	-40.3	175.3	-59.5	-33.2	0	0	0	111.6	L176 S177 A183	L176-D180 PolarHBondContact O-N 2.91Å; S177-D180 PolarHBondContact O-N 3.23Å; D180-A183 PolarHBondContact O-N 2.91Å
181	L	96.3	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-46	171.4	175.8	67.6	0	0	0	111.2	I131 H137 L140 I152 S177 L178 I179 A183 K184 V185	I131-L181 HydrophobicContact CD1-CD1 4.43Å; I131-L181 HydrophobicContact CD1-CD2 3.66Å; I131-L181 HydrophobicContact CG1-CD2 4.02Å; H137-L181 WeakPolarHBondContact CD2-CD1 3.23Å; L140-L181 HydrophobicContact CD1-CD1 3.98Å; I152-L181 HydrophobicContact CD1-CD2 4.16Å; I152-L181 HydrophobicContact CD1-CG 4.11Å; I152-L181 HydrophobicContact CG2-CD2 4.36Å; S177-L181 PolarHBondContact O-N 3.21Å; L178-L181 HydrophobicContact CD2-CD2 4.44Å; I179-L181 VanDerWaalsContact C-N 3.35Å; L181-A183 PolarHBondContact O-N 3.07Å; L181-K184 WeakPolarHBondContact O-CB 3.36Å; L181-K184 PolarHBondContact O-N 2.78Å; L181-V185 HydrophobicContact CD1-CG1 4.11Å; L181-V185 HydrophobicContact CD1-CG2 3.94Å; L181-V185 HydrophobicContact CG-CG2 3.96Å; L181-V185 WeakPolarHBondContact O-CG2 3.13Å; L181-V185 PolarHBondContact O-N 3.31Å; L181-V185 VanDerWaalsContact O-N 3.12Å
182	A	96.9	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-38.8	-179.7	0	0	0	0	0	111.9	I152 L178 I179 K184 V185 L186 L192 Y238	I152-A182 HydrophobicContact CD1-CB 3.86Å; L178-A182 WeakPolarHBondContact O-CB 3.5Å; L178-A182 PolarHBondContact O-N 2.68Å; I179-A182 WeakPolarHBondContact O-CB 3.36Å; I179-A182 PolarHBondContact O-N 3.37Å; A182-K184 PolarHBondContact O-N 3.07Å; A182-V185 PolarHBondContact O-N 3.04Å; A182-L186 HydrophobicContact CB-CB 3.93Å; A182-L186 HydrophobicContact CB-CD2 3.95Å; A182-L186 WeakPolarHBondContact O-CB 3.34Å; A182-L186 PolarHBondContact O-N 3.09Å; A182-L192 HydrophobicContact CB-CD1 4.33Å; A182-Y238 HydrophobicContact CB-CE2 4.38Å
183	A	94.8	Very high	97.1	Very high	58 Å²	58	34.2 Å²	34.2	48%	0.479	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-21.6	175.5	0	0	0	0	0	114.7	I179 D180 L181 Y238	I179-A183 PolarHBondContact O-N 3.27Å; I179-A183 VanDerWaalsContact O-N 3.11Å; D180-A183 PolarHBondContact O-N 2.91Å; L181-A183 PolarHBondContact O-N 3.07Å; A183-Y238 VanDerWaalsContact CA-OH 3.27Å; A183-Y238 WeakPolarHBondContact CA-OH 3.42Å
184	K	94.4	Very high	97.2	Very high	114 Å²	114	29.8 Å²	29.8	50%	0.496	18%	0.176	S	C	.	.	H	α-helix	trans	-95.3	-33.7	-179.3	-62.9	173.7	-174.5	171.8	0	113.2	H137 L181 A182	H137-K184 PolarHBondContact CE1-NZ 2.89Å; H137-K184 VanDerWaalsContact CE1-NZ 3.29Å; H137-K184 PolarHBondContact ND1-NZ 3.26Å; L181-K184 WeakPolarHBondContact O-CB 3.36Å; L181-K184 PolarHBondContact O-N 2.78Å; A182-K184 PolarHBondContact O-N 3.07Å
185	V	96.1	Very high	97.3	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-129.4	-19.4	-166.1	-49.6	0	0	0	0	114.5	I78 L141 Q148 A149 I152 L181 A182	I78-V185 HydrophobicContact CD1-CB 4.31Å; I78-V185 HydrophobicContact CD1-CG2 3.45Å; I78-V185 VanDerWaalsContact CD1-CG2 3.45Å; L141-V185 HydrophobicContact CD2-CG1 3.85Å; L141-V185 HydrophobicContact CG-CG1 4.48Å; Q148-V185 CarbonylContact C-O 3.52Å; Q148-V185 WeakPolarHBondContact CA-O 3.49Å; A149-V185 HydrophobicContact CB-CG2 4.31Å; A149-V185 PolarHBondContact N-O 3.29Å; I152-V185 HydrophobicContact CD1-CG2 4.01Å; L181-V185 HydrophobicContact CD1-CG1 4.11Å; L181-V185 HydrophobicContact CD1-CG2 3.94Å; L181-V185 HydrophobicContact CG-CG2 3.96Å; L181-V185 WeakPolarHBondContact O-CG2 3.13Å; L181-V185 PolarHBondContact O-N 3.31Å; L181-V185 VanDerWaalsContact O-N 3.12Å; A182-V185 PolarHBondContact O-N 3.04Å
186	L	97.7	Very high	97.2	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.6	-174.5	-166.7	68.4	0	0	0	109.9	A149 I152 A182 F213 Y238	A149-L186 HydrophobicContact CB-CD1 4.41Å; I152-L186 HydrophobicContact CD1-CB 4.1Å; I152-L186 HydrophobicContact CD1-CD1 4.18Å; I152-L186 HydrophobicContact CG1-CD1 4.15Å; A182-L186 HydrophobicContact CB-CB 3.93Å; A182-L186 HydrophobicContact CB-CD2 3.95Å; A182-L186 WeakPolarHBondContact O-CB 3.34Å; A182-L186 PolarHBondContact O-N 3.09Å; L186-F213 HydrophobicContact CD2-CE1 3.71Å; L186-F213 HydrophobicContact CD2-CZ 3.66Å; L186-Y238 HydrophobicContact CB-CD1 4.14Å; L186-Y238 HydrophobicContact CB-CE1 4.42Å; L186-Y238 HydrophobicContact CD2-CD1 4.18Å; L186-Y238 HydrophobicContact CD2-CD2 4.07Å; L186-Y238 HydrophobicContact CD2-CG 3.74Å; L186-Y238 HydrophobicContact CG-CD1 4.21Å; L186-Y238 HydrophobicContact CG-CG 4.23Å; L186-Y238 WeakPolarHBondContact O-CD1 3.42Å; L186-Y238 WeakPolarHBondContact O-CE1 3.26Å
187	Q	97.1	Very high	97.1	Very high	52 Å²	52	28.3 Å²	28.3	24%	0.243	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	157.9	177.5	72.8	179.4	-40.5	0	0	112.1	Q148 A149 H150 G189 G190	Q148-Q187 HydrophobicContact CB-CB 4.38Å; A149-Q187 WeakPolarHBondContact O-CG 3.28Å; A149-Q187 PolarHBondContact O-N 2.88Å; H150-Q187 PolarHBondContact CD2-NE2 3.32Å; H150-Q187 PolarHBondContact CE1-NE2 3.2Å; H150-Q187 PolarHBondContact ND1-NE2 3.49Å; H150-Q187 PolarHBondContact NE2-NE2 3.48Å; H150-Q187 VanDerWaalsContact NE2-NE2 3.11Å; Q187-G189 PolarHBondContact O-N 3.45Å; Q187-G190 WeakPolarHBondContact O-CA 3.32Å; Q187-G190 PolarHBondContact O-N 3.32Å
188	T	97.1	Very high	96.9	Very high	72 Å²	72	32.5 Å²	32.5	44%	0.442	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	131.6	168.9	-56.7	0	0	0	0	110.9	G190 E240	T188-G190 PolarHBondContact O-N 2.8Å; T188-E240 WeakPolarHBondContact OG1-CB 2.76Å; T188-E240 PolarHBondContact OG1-OE2 2.93Å
189	G	97.8	Very high	96.7	Very high	45 Å²	45	34 Å²	34	46%	0.464	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.1	-7.1	-174.6	0	0	0	0	0	114.6	Q187 Y238	Q187-G189 PolarHBondContact O-N 3.45Å; G189-Y238 PolarHBondContact N-O 2.88Å
190	G	98.3	Very high	96.6	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	170.5	177.1	0	0	0	0	0	113.8	H150 Q187 T188 S237 Y238	H150-G190 WeakPolarHBondContact O-CA 3.29Å; Q187-G190 WeakPolarHBondContact O-CA 3.32Å; Q187-G190 PolarHBondContact O-N 3.32Å; T188-G190 PolarHBondContact O-N 2.8Å; G190-S237 PolarHBondContact O-N 3.43Å; G190-Y238 PolarHBondContact O-N 3.28Å
191	S	98.8	Very high	96.6	Very high	18 Å²	18	35.3 Å²	35.3	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.2	-177.6	-61.9	0	0	0	0	112.2	H150 V151 I152 A235	H150-S191 PolarHBondContact O-N 3.04Å; V151-S191 VanDerWaalsContact CA-O 3.3Å; V151-S191 WeakPolarHBondContact CA-O 3.42Å; I152-S191 PolarHBondContact N-O 3.33Å; S191-A235 CarbonylContact C-O 3.57Å; S191-A235 WeakPolarHBondContact CA-O 3.27Å
192	L	98.8	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.3	172.7	-176.6	153.3	0	0	0	109.2	I152 L178 A182 C194 L209 F213 A235	I152-L192 HydrophobicContact CB-CD1 4.45Å; I152-L192 HydrophobicContact CB-CG 4.34Å; I152-L192 HydrophobicContact CG2-CD1 4.35Å; I152-L192 HydrophobicContact CG2-CG 4.38Å; I152-L192 CarbonylContact O-C 3.59Å; I152-L192 VanDerWaalsContact O-CA 3.28Å; I152-L192 WeakPolarHBondContact O-CA 3.27Å; L178-L192 HydrophobicContact CB-CD1 3.94Å; A182-L192 HydrophobicContact CB-CD1 4.33Å; L192-C194 HydrophobicContact CD2-CB 3.93Å; L192-L209 HydrophobicContact CD2-CD2 4.12Å; L192-F213 HydrophobicContact CB-CE1 4.07Å; L192-F213 HydrophobicContact CB-CE2 4.21Å; L192-F213 HydrophobicContact CB-CZ 3.55Å; L192-F213 HydrophobicContact CD1-CZ 4.33Å; L192-A235 HydrophobicContact CB-CB 4.4Å; L192-A235 PolarHBondContact N-O 3.38Å; L192-A235 PolarHBondContact O-N 3.25Å; L192-A235 VanDerWaalsContact O-O 3.13Å
193	I	98.9	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.1	165.5	-171.7	166.9	0	0	0	111	I64 L70 W87 I152 M153 S154 F232 F233 L234	I64-I193 HydrophobicContact CB-CD1 4.43Å; I64-I193 HydrophobicContact CD1-CD1 3.78Å; I64-I193 HydrophobicContact CG1-CD1 4.43Å; I64-I193 HydrophobicContact CG2-CD1 3.42Å; I64-I193 VanDerWaalsContact CG2-CD1 3.42Å; L70-I193 HydrophobicContact CD2-CB 4.28Å; L70-I193 HydrophobicContact CD2-CG2 3.64Å; W87-I193 HydrophobicContact CZ3-CG2 4.2Å; I152-I193 PolarHBondContact O-N 3.33Å; M153-I193 CarbonylContact C-O 3.52Å; M153-I193 WeakPolarHBondContact CA-O 3.28Å; M153-I193 HydrophobicContact CB-CG2 3.54Å; S154-I193 PolarHBondContact N-O 3.11Å; I193-F232 HydrophobicContact CD1-CB 4.22Å; I193-F232 HydrophobicContact CD1-CD1 4.43Å; I193-F232 HydrophobicContact CG1-CB 4.2Å; I193-F232 HydrophobicContact CG1-CD1 4.23Å; I193-F233 VanDerWaalsContact CA-O 3.31Å; I193-F233 WeakPolarHBondContact CA-O 3.31Å; I193-F233 WeakPolarHBondContact CG1-O 3.47Å; I193-L234 HydrophobicContact CB-CD1 4.36Å
194	C	98.6	Very high	96.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142	177.9	59.9	0	0	0	0	111.8	S154 L178 L192 F232 F233	S154-C194 WeakPolarHBondContact O-CA 3.49Å; L178-C194 HydrophobicContact CD1-CB 3.66Å; L192-C194 HydrophobicContact CD2-CB 3.93Å; C194-F232 CarbonylContact O-C 3.57Å; C194-F232 VanDerWaalsContact O-CA 3.23Å; C194-F232 WeakPolarHBondContact O-CA 3.25Å; C194-F233 PolarHBondContact N-O 2.97Å; C194-F233 VanDerWaalsContact N-O 3.12Å; C194-F233 PolarHBondContact O-N 2.61Å
195	K	98.3	Very high	97	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.057	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.2	166.8	177.4	167.7	59.8	-159.5	0	110.6	S154 D155 M156 S175 E230 L231 F232	S154-K195 PolarHBondContact O-N 2.7Å; D155-K195 WeakPolarHBondContact O-CE 3.31Å; D155-K195 PolarHBondContact O-NZ 3.01Å; D155-K195 VanDerWaalsContact OD1-CD 3.29Å; D155-K195 WeakPolarHBondContact OD1-CD 3.2Å; D155-K195 VanDerWaalsContact OD1-CE 3.28Å; D155-K195 WeakPolarHBondContact OD1-CE 3.5Å; D155-K195 IonicContact OD1-NZ 3.03Å; D155-K195 PolarHBondContact OD1-NZ 3.33Å; M156-K195 VanDerWaalsContact C-CE 3.49Å; M156-K195 WeakPolarHBondContact O-CE 3.44Å; M156-K195 PolarHBondContact O-NZ 3.17Å; S175-K195 PolarHBondContact OG-O 3.12Å; K195-E230 HydrophobicContact CD-CG 3.55Å; K195-E230 WeakPolarHBondContact CD-OE2 3.5Å; K195-E230 HydrophobicContact CG-CG 3.91Å; K195-E230 IonicContact NZ-OE2 2.77Å; K195-L231 CarbonylContact C-O 3.5Å; K195-L231 WeakPolarHBondContact CA-O 3.36Å; K195-F232 HydrophobicContact CB-CD1 4Å; K195-F232 HydrophobicContact CB-CE1 3.59Å; K195-F232 HydrophobicContact CB-CZ 4.07Å; K195-F232 HydrophobicContact CD-CZ 4.39Å; K195-F232 HydrophobicContact CG-CE1 4.35Å; K195-F232 HydrophobicContact CG-CZ 4.36Å
196	Y	97.1	Very high	97.1	Very high	8 Å²	8	40 Å²	40	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	166.8	161.8	72.4	-77.4	0	0	0	110.1	A202 T218 L231 F233	Y196-A202 HydrophobicContact CD2-CB 3.84Å; Y196-A202 HydrophobicContact CE2-CB 3.7Å; Y196-T218 HydrophobicContact CE1-CG2 4.43Å; Y196-T218 WeakPolarHBondContact OH-CG2 3.42Å; Y196-T218 PolarHBondContact OH-OG1 3.04Å; Y196-L231 HydrophobicContact CD1-CB 3.98Å; Y196-L231 WeakPolarHBondContact CD1-O 3.47Å; Y196-L231 HydrophobicContact CE1-CB 3.38Å; Y196-L231 HydrophobicContact CE2-CB 4Å; Y196-L231 HydrophobicContact CE2-CD1 4Å; Y196-L231 PolarHBondContact N-O 3.01Å; Y196-L231 PolarHBondContact O-N 2.98Å; Y196-L231 VanDerWaalsContact O-O 3.04Å; Y196-L231 WeakPolarHBondContact OH-CD1 3.28Å; Y196-F233 AromaticContact CD1-CD2 3.36Å; Y196-F233 HydrophobicContact CD1-CD2 3.36Å; Y196-F233 AromaticContact CD1-CE2 3.53Å; Y196-F233 HydrophobicContact CD1-CE2 3.53Å; Y196-F233 AromaticContact CD1-CG 3.95Å; Y196-F233 HydrophobicContact CD1-CG 3.95Å; Y196-F233 HydrophobicContact CD1-CZ 4.24Å; Y196-F233 AromaticContact CD2-CE2 3.93Å; Y196-F233 HydrophobicContact CD2-CE2 3.93Å; Y196-F233 HydrophobicContact CD2-CZ 4.45Å; Y196-F233 AromaticContact CE1-CD1 3.94Å; Y196-F233 HydrophobicContact CE1-CD1 3.94Å; Y196-F233 AromaticContact CE1-CD2 3.45Å; Y196-F233 HydrophobicContact CE1-CD2 3.45Å; Y196-F233 VanDerWaalsContact CE1-CD2 3.45Å; Y196-F233 AromaticContact CE1-CE1 3.91Å; Y196-F233 HydrophobicContact CE1-CE1 3.91Å; Y196-F233 AromaticContact CE1-CE2 3.43Å; Y196-F233 HydrophobicContact CE1-CE2 3.43Å; Y196-F233 VanDerWaalsContact CE1-CE2 3.43Å; Y196-F233 AromaticContact CE1-CG 3.71Å; Y196-F233 HydrophobicContact CE1-CG 3.71Å; Y196-F233 AromaticContact CE1-CZ 3.65Å; Y196-F233 HydrophobicContact CE1-CZ 3.65Å; Y196-F233 AromaticContact CE2-CE2 3.87Å; Y196-F233 HydrophobicContact CE2-CE2 3.87Å; Y196-F233 AromaticContact CE2-CZ 3.93Å; Y196-F233 HydrophobicContact CE2-CZ 3.93Å; Y196-F233 AromaticContact CG-CD2 3.95Å; Y196-F233 HydrophobicContact CG-CD2 3.95Å; Y196-F233 AromaticContact CG-CE2 3.78Å; Y196-F233 HydrophobicContact CG-CE2 3.78Å; Y196-F233 AromaticContact CZ-CE1 3.92Å; Y196-F233 AromaticContact CZ-CE2 3.6Å; Y196-F233 AromaticContact CZ-CZ 3.47Å; Y196-F233 VanDerWaalsContact CZ-CZ 3.47Å
197	W	95.3	Very high	97.1	Very high	51 Å²	51	44.6 Å²	44.6	19%	0.193	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.4	165.3	-69.5	-36.3	0	0	0	108.9	A157 P158 D167 H168 L171 G199 S229	A157-W197 HydrophobicContact CB-CH2 4.45Å; A157-W197 HydrophobicContact CB-CZ2 4.2Å; P158-W197 HydrophobicContact CG-CH2 3.92Å; P158-W197 HydrophobicContact CG-CZ3 3.78Å; D167-W197 HydrophobicContact CB-CZ3 3.76Å; D167-W197 WeakPolarHBondContact O-CZ3 3.39Å; H168-W197 PolarHBondContact CE1-O 3.17Å; H168-W197 PolarHBondContact ND1-O 2.87Å; L171-W197 HydrophobicContact CB-CE3 4.19Å; L171-W197 HydrophobicContact CB-CZ3 4.36Å; L171-W197 HydrophobicContact CD2-CB 4.11Å; L171-W197 HydrophobicContact CD2-CD2 3.41Å; L171-W197 VanDerWaalsContact CD2-CD2 3.41Å; L171-W197 HydrophobicContact CD2-CE3 3.61Å; L171-W197 HydrophobicContact CD2-CG 3.63Å; L171-W197 HydrophobicContact CD2-CZ2 4.43Å; L171-W197 HydrophobicContact CD2-CZ3 4.17Å; W197-G199 PolarHBondContact O-N 2.65Å; W197-S229 WeakPolarHBondContact CA-O 3.31Å
198	D	92.7	Very high	97.1	Very high	106 Å²	106	47.9 Å²	47.9	57%	0.567	27%	0.27	S	S	*	.			trans	-61.2	134.5	174.8	-160.2	20.2	0	0	0	110.6	S229 L231	D198-S229 PolarHBondContact N-O 2.95Å; D198-L231 HydrophobicContact CB-CD1 3.86Å
199	G	93.2	Very high	97.2	Very high	33 Å²	33	44.4 Å²	44.4	34%	0.34	25%	0.249	S	C	.	.	S	Bend	trans	168.4	-179.9	-170.4	0	0	0	0	0	113.5	W197 L201 A202	W197-G199 PolarHBondContact O-N 2.65Å; G199-L201 VanDerWaalsContact C-N 3.26Å; G199-L201 PolarHBondContact O-N 3.17Å; G199-L201 VanDerWaalsContact O-N 3.09Å; G199-A202 VanDerWaalsContact O-CB 3.29Å; G199-A202 WeakPolarHBondContact O-CB 3.4Å; G199-A202 PolarHBondContact O-N 3.39Å
200	A	94.4	Very high	97.2	Very high	99 Å²	99	44.7 Å²	44.7	82%	0.818	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-37	-167.5	0	0	0	0	0	114.6
201	L	96.9	Very high	97.2	Very high	53 Å²	53	47.7 Å²	47.7	28%	0.277	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.7	-177.9	-54.6	176.4	0	0	0	114.6	H168 E169 I172 G199 H203 Q204 L205	H168-L201 PolarHBondContact NE2-N 2.88Å; E169-L201 HydrophobicContact CG-CD1 3.82Å; I172-L201 HydrophobicContact CD1-CB 4.49Å; I172-L201 HydrophobicContact CG1-CB 4.07Å; I172-L201 HydrophobicContact CG2-CB 4.14Å; G199-L201 VanDerWaalsContact C-N 3.26Å; G199-L201 PolarHBondContact O-N 3.17Å; G199-L201 VanDerWaalsContact O-N 3.09Å; L201-H203 VanDerWaalsContact C-N 3.3Å; L201-H203 PolarHBondContact O-N 3.42Å; L201-Q204 PolarHBondContact O-N 3.23Å; L201-L205 PolarHBondContact O-N 2.83Å; L201-L205 VanDerWaalsContact O-N 3.15Å
202	A	96.6	Very high	97.1	Very high	6 Å²	6	47.6 Å²	47.6	5%	0.05	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-39.8	-178.4	0	0	0	0	0	112.1	Y196 G199 Q204 L205 Q206	Y196-A202 HydrophobicContact CD2-CB 3.84Å; Y196-A202 HydrophobicContact CE2-CB 3.7Å; G199-A202 VanDerWaalsContact O-CB 3.29Å; G199-A202 WeakPolarHBondContact O-CB 3.4Å; G199-A202 PolarHBondContact O-N 3.39Å; A202-Q204 PolarHBondContact O-N 2.9Å; A202-L205 PolarHBondContact O-N 3.03Å; A202-Q206 PolarHBondContact O-N 3.49Å
203	H	97.2	Very high	97.1	Very high	115 Å²	115	47.6 Å²	47.6	53%	0.532	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-38.5	177.2	-177.7	-110.4	0	0	0	112.4	L201 L205 Q206 Q207	L201-H203 VanDerWaalsContact C-N 3.3Å; L201-H203 PolarHBondContact O-N 3.42Å; H203-L205 PolarHBondContact O-N 3.2Å; H203-Q206 WeakPolarHBondContact O-CB 3.49Å; H203-Q206 PolarHBondContact O-N 2.99Å; H203-Q207 PolarHBondContact CE1-NE2 3.33Å; H203-Q207 WeakPolarHBondContact O-CG 3.24Å; H203-Q207 PolarHBondContact O-N 3.49Å
204	Q	97.5	Very high	97	Very high	91 Å²	91	56.2 Å²	56.2	43%	0.425	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-42.9	175.6	-179.8	180	-23.5	0	0	111.4	L201 A202 Q206 Q207 K208	L201-Q204 PolarHBondContact O-N 3.23Å; A202-Q204 PolarHBondContact O-N 2.9Å; Q204-Q206 VanDerWaalsContact C-N 3.35Å; Q204-Q207 PolarHBondContact O-N 3.36Å; Q204-K208 WeakPolarHBondContact O-CG 3.49Å; Q204-K208 PolarHBondContact O-N 3.13Å
205	L	97.9	Very high	97	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-44.6	173.9	176.7	61.2	0	0	0	111.3	I172 L176 I179 L201 A202 H203 Q207 K208 L209 F233	I172-L205 HydrophobicContact CD1-CB 4.09Å; I172-L205 HydrophobicContact CD1-CD2 3.81Å; L176-L205 HydrophobicContact CD2-CD1 3.79Å; L176-L205 HydrophobicContact CG-CD1 4.15Å; I179-L205 HydrophobicContact CD1-CD1 4.17Å; L201-L205 PolarHBondContact O-N 2.83Å; L201-L205 VanDerWaalsContact O-N 3.15Å; A202-L205 PolarHBondContact O-N 3.03Å; H203-L205 PolarHBondContact O-N 3.2Å; L205-Q207 VanDerWaalsContact C-N 3.34Å; L205-Q207 PolarHBondContact O-N 2.98Å; L205-K208 PolarHBondContact O-N 3.32Å; L205-L209 HydrophobicContact CD1-CD1 4.42Å; L205-L209 HydrophobicContact CD1-CG 4.46Å; L205-L209 HydrophobicContact CG-CD1 4.24Å; L205-L209 WeakPolarHBondContact O-CG 3.4Å; L205-L209 PolarHBondContact O-N 2.96Å; L205-F233 HydrophobicContact CB-CE2 4.43Å; L205-F233 HydrophobicContact CD2-CD2 3.94Å; L205-F233 HydrophobicContact CD2-CE2 4.02Å; L205-F233 HydrophobicContact CG-CD2 4.18Å; L205-F233 HydrophobicContact CG-CE2 4.18Å
206	Q	98.4	Very high	97	Very high	62 Å²	62	59.1 Å²	59.1	29%	0.29	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-42.5	176.9	-168.6	178.6	8.8	0	0	112.4	A202 H203 Q204 L209 S210 V216 F233	A202-Q206 PolarHBondContact O-N 3.49Å; H203-Q206 WeakPolarHBondContact O-CB 3.49Å; H203-Q206 PolarHBondContact O-N 2.99Å; Q204-Q206 VanDerWaalsContact C-N 3.35Å; Q206-L209 PolarHBondContact O-N 3.43Å; Q206-S210 WeakPolarHBondContact O-CB 3.45Å; Q206-S210 PolarHBondContact O-N 3.15Å; Q206-S210 PolarHBondContact O-OG 3.2Å; Q206-V216 HydrophobicContact CG-CG1 4.05Å; Q206-F233 HydrophobicContact CB-CE1 3.88Å; Q206-F233 HydrophobicContact CB-CE2 4.3Å; Q206-F233 HydrophobicContact CB-CZ 3.65Å; Q206-F233 HydrophobicContact CG-CD1 4.42Å; Q206-F233 HydrophobicContact CG-CE1 3.76Å; Q206-F233 HydrophobicContact CG-CZ 4.09Å
207	Q	98.2	Very high	97.1	Very high	110 Å²	110	63.5 Å²	63.5	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-45.2	176.1	-74.3	179.7	-18.8	0	0	111.7	H203 Q204 L205 L209 S210 A211	H203-Q207 PolarHBondContact CE1-NE2 3.33Å; H203-Q207 WeakPolarHBondContact O-CG 3.24Å; H203-Q207 PolarHBondContact O-N 3.49Å; Q204-Q207 PolarHBondContact O-N 3.36Å; L205-Q207 VanDerWaalsContact C-N 3.34Å; L205-Q207 PolarHBondContact O-N 2.98Å; Q207-L209 PolarHBondContact O-N 3.38Å; Q207-S210 PolarHBondContact O-N 3.18Å; Q207-S210 VanDerWaalsContact O-N 3.15Å; Q207-A211 PolarHBondContact O-N 2.83Å
208	K	98	Very high	97.2	Very high	120 Å²	120	64 Å²	64	52%	0.522	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-42.4	177.3	-69.4	-69.7	-175.5	179.5	0	112	L176 I179 Q204 L205 A211	L176-K208 HydrophobicContact CD2-CB 4.08Å; L176-K208 HydrophobicContact CD2-CG 3.99Å; I179-K208 HydrophobicContact CD1-CB 3.78Å; Q204-K208 WeakPolarHBondContact O-CG 3.49Å; Q204-K208 PolarHBondContact O-N 3.13Å; L205-K208 PolarHBondContact O-N 3.32Å; K208-A211 WeakPolarHBondContact O-CB 3.39Å; K208-A211 PolarHBondContact O-N 3.02Å
209	L	98.3	Very high	97.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-44.2	172.1	-70.9	167.8	0	0	0	111.3	I179 L192 L205 Q206 Q207 A211 V212 F213 V216 F233 A235	I179-L209 HydrophobicContact CD1-CD2 3.77Å; I179-L209 HydrophobicContact CD1-CG 3.94Å; I179-L209 HydrophobicContact CG1-CD2 3.79Å; I179-L209 HydrophobicContact CG1-CG 4.49Å; L192-L209 HydrophobicContact CD2-CD2 4.12Å; L205-L209 HydrophobicContact CD1-CD1 4.42Å; L205-L209 HydrophobicContact CD1-CG 4.46Å; L205-L209 HydrophobicContact CG-CD1 4.24Å; L205-L209 WeakPolarHBondContact O-CG 3.4Å; L205-L209 PolarHBondContact O-N 2.96Å; Q206-L209 PolarHBondContact O-N 3.43Å; Q207-L209 PolarHBondContact O-N 3.38Å; L209-A211 PolarHBondContact O-N 3.19Å; L209-V212 PolarHBondContact O-N 3.36Å; L209-V212 VanDerWaalsContact O-N 3.1Å; L209-F213 HydrophobicContact CB-CD2 4.49Å; L209-F213 HydrophobicContact CD2-CD2 4.12Å; L209-F213 HydrophobicContact CD2-CE2 3.98Å; L209-F213 WeakPolarHBondContact O-CB 3.37Å; L209-F213 WeakPolarHBondContact O-CD2 3.4Å; L209-F213 PolarHBondContact O-N 2.83Å; L209-V216 HydrophobicContact CB-CG1 4.04Å; L209-V216 HydrophobicContact CB-CG2 3.9Å; L209-V216 HydrophobicContact CD1-CG1 4.25Å; L209-F233 HydrophobicContact CD1-CB 3.68Å; L209-F233 HydrophobicContact CD1-CD2 3.93Å; L209-F233 HydrophobicContact CD1-CG 3.89Å; L209-A235 HydrophobicContact CD2-CB 4.21Å
210	S	98.1	Very high	97.6	Very high	50 Å²	50	62 Å²	62	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-68.8	-20.8	-176.2	-56.3	0	0	0	0	113.3	Q206 Q207 V212	Q206-S210 WeakPolarHBondContact O-CB 3.45Å; Q206-S210 PolarHBondContact O-N 3.15Å; Q206-S210 PolarHBondContact O-OG 3.2Å; Q207-S210 PolarHBondContact O-N 3.18Å; Q207-S210 VanDerWaalsContact O-N 3.15Å; S210-V212 VanDerWaalsContact C-N 3.33Å
211	A	97.3	Very high	97.7	Very high	66 Å²	66	57.6 Å²	57.6	55%	0.545	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-35.2	172.3	0	0	0	0	0	112.3	Q207 K208 L209	Q207-A211 PolarHBondContact O-N 2.83Å; K208-A211 WeakPolarHBondContact O-CB 3.39Å; K208-A211 PolarHBondContact O-N 3.02Å; L209-A211 PolarHBondContact O-N 3.19Å
212	V	97.6	Very high	97.6	Very high	16 Å²	16	63.8 Å²	63.8	10%	0.097	31%	0.308	C	S	.	.	H	α-helix	trans	-113.8	-10	-172.8	-57.4	0	0	0	0	114.2	I179 L209 S210 Y238 R239	I179-V212 HydrophobicContact CG2-CG2 4.02Å; L209-V212 PolarHBondContact O-N 3.36Å; L209-V212 VanDerWaalsContact O-N 3.1Å; S210-V212 VanDerWaalsContact C-N 3.33Å; V212-Y238 HydrophobicContact CB-CD2 4.41Å; V212-Y238 HydrophobicContact CB-CE2 3.9Å; V212-Y238 HydrophobicContact CG2-CD2 4.41Å; V212-Y238 HydrophobicContact CG2-CE2 3.99Å; V212-R239 WeakPolarHBondContact O-CB 3.34Å; V212-R239 WeakPolarHBondContact O-CG 3.39Å; V212-R239 PolarHBondContact O-N 3.36Å
213	F	98.3	Very high	97.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	154	173.6	-68.9	-88.1	0	0	0	110.8	L186 L192 L209 V216 A235 R236 Y238 R239	L186-F213 HydrophobicContact CD2-CE1 3.71Å; L186-F213 HydrophobicContact CD2-CZ 3.66Å; L192-F213 HydrophobicContact CB-CE1 4.07Å; L192-F213 HydrophobicContact CB-CE2 4.21Å; L192-F213 HydrophobicContact CB-CZ 3.55Å; L192-F213 HydrophobicContact CD1-CZ 4.33Å; L209-F213 HydrophobicContact CB-CD2 4.49Å; L209-F213 HydrophobicContact CD2-CD2 4.12Å; L209-F213 HydrophobicContact CD2-CE2 3.98Å; L209-F213 WeakPolarHBondContact O-CB 3.37Å; L209-F213 WeakPolarHBondContact O-CD2 3.4Å; L209-F213 PolarHBondContact O-N 2.83Å; F213-V216 HydrophobicContact CB-CG2 3.89Å; F213-A235 HydrophobicContact CB-CB 4.04Å; F213-A235 HydrophobicContact CD1-CB 3.86Å; F213-A235 HydrophobicContact CD2-CB 3.67Å; F213-A235 HydrophobicContact CE1-CB 4.21Å; F213-A235 HydrophobicContact CE2-CB 4.07Å; F213-A235 HydrophobicContact CG-CB 3.58Å; F213-A235 HydrophobicContact CZ-CB 4.33Å; F213-R236 WeakPolarHBondContact CB-O 3.36Å; F213-Y238 HydrophobicContact CD1-CD2 4.11Å; F213-Y238 HydrophobicContact CD2-CD2 4.4Å; F213-Y238 AromaticContact CE1-CD2 3.67Å; F213-Y238 HydrophobicContact CE1-CD2 3.67Å; F213-Y238 HydrophobicContact CE1-CG 4.07Å; F213-Y238 AromaticContact CE2-CD2 3.96Å; F213-Y238 HydrophobicContact CE2-CD2 3.96Å; F213-Y238 HydrophobicContact CE2-CE2 4.46Å; F213-Y238 HydrophobicContact CG-CD2 4.46Å; F213-Y238 AromaticContact CZ-CD2 3.56Å; F213-Y238 HydrophobicContact CZ-CD2 3.56Å; F213-Y238 HydrophobicContact CZ-CE2 4.33Å; F213-Y238 HydrophobicContact CZ-CG 4.3Å; F213-R239 PolarHBondContact O-NE 3.23Å; F213-R239 PolarHBondContact O-NH2 3.49Å
214	R	98	Very high	97.3	Very high	181 Å²	181	58.3 Å²	58.3	68%	0.683	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	-31.1	176.9	-60	-178.7	-171.2	176.1	1.9	112.9	R236 S237 R239	R214-R236 PolarHBondContact N-O 3.45Å; R214-S237 PolarHBondContact N-O 2.99Å; R214-R239 HydrophobicContact CG-CG 4.05Å
215	D	97.9	Very high	97	Very high	51 Å²	51	56 Å²	56	27%	0.273	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119.6	-177	171.1	53.4	0	0	0	109.1	R217 A235 R236	D215-R217 IonicContact OD1-CZ 3.28Å; D215-R217 IonicContact OD1-NE 3.05Å; D215-R217 IonicContact OD1-NH2 2.71Å; D215-R217 PolarHBondContact OD1-NH2 3.44Å; D215-R217 IonicContact OD2-CZ 3.55Å; D215-R217 VanDerWaalsContact OD2-CZ 3.28Å; D215-R217 IonicContact OD2-NE 3.4Å; D215-R217 PolarHBondContact OD2-NE 2.84Å; D215-R217 IonicContact OD2-NH2 3.66Å; D215-R217 PolarHBondContact OD2-NH2 3.08Å; D215-A235 CarbonylContact O-C 3.58Å; D215-A235 WeakPolarHBondContact O-CA 3.49Å; D215-R236 HydrophobicContact CB-CB 4.25Å; D215-R236 PolarHBondContact N-O 3.26Å; D215-R236 PolarHBondContact O-N 2.9Å
216	V	98.5	Very high	96.5	Very high	23 Å²	23	65.8 Å²	65.8	14%	0.139	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.3	177.5	-177.3	0	0	0	0	108.1	Q206 L209 F213 F233 L234 A235	Q206-V216 HydrophobicContact CG-CG1 4.05Å; L209-V216 HydrophobicContact CB-CG1 4.04Å; L209-V216 HydrophobicContact CB-CG2 3.9Å; L209-V216 HydrophobicContact CD1-CG1 4.25Å; F213-V216 HydrophobicContact CB-CG2 3.89Å; V216-F233 HydrophobicContact CG1-CD1 4.05Å; V216-L234 WeakPolarHBondContact CA-O 3.48Å; V216-A235 HydrophobicContact CG2-CB 4.01Å
217	R	98.1	Very high	95.9	Very high	100 Å²	100	67.9 Å²	67.9	38%	0.377	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.3	-177.6	65.2	-176.1	71	-153.3	-0	112.1	D215 V219 F233 L234	D215-R217 IonicContact OD1-CZ 3.28Å; D215-R217 IonicContact OD1-NE 3.05Å; D215-R217 IonicContact OD1-NH2 2.71Å; D215-R217 PolarHBondContact OD1-NH2 3.44Å; D215-R217 IonicContact OD2-CZ 3.55Å; D215-R217 VanDerWaalsContact OD2-CZ 3.28Å; D215-R217 IonicContact OD2-NE 3.4Å; D215-R217 PolarHBondContact OD2-NE 2.84Å; D215-R217 IonicContact OD2-NH2 3.66Å; D215-R217 PolarHBondContact OD2-NH2 3.08Å; R217-V219 HydrophobicContact CG-CG2 4.33Å; R217-F233 WeakPolarHBondContact O-CA 3.49Å; R217-L234 HydrophobicContact CG-CB 3.98Å; R217-L234 HydrophobicContact CG-CD2 4.38Å; R217-L234 HydrophobicContact CG-CG 4.39Å; R217-L234 PolarHBondContact N-O 3.24Å; R217-L234 PolarHBondContact O-N 3.49Å
218	T	98.3	Very high	95.4	Very high	63 Å²	63	64.4 Å²	64.4	39%	0.387	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.4	172	-60	0	0	0	0	110.8	Y196 L231 F232 F233	Y196-T218 HydrophobicContact CE1-CG2 4.43Å; Y196-T218 WeakPolarHBondContact OH-CG2 3.42Å; Y196-T218 PolarHBondContact OH-OG1 3.04Å; T218-L231 HydrophobicContact CG2-CB 4.13Å; T218-L231 HydrophobicContact CG2-CD1 4.08Å; T218-L231 HydrophobicContact CG2-CD2 3.86Å; T218-L231 HydrophobicContact CG2-CG 4.26Å; T218-F232 CarbonylContact C-O 3.53Å; T218-F232 WeakPolarHBondContact CA-O 3.09Å; T218-F233 WeakPolarHBondContact OG1-CE1 3.39Å
219	V	98	Very high	95	Very high	12 Å²	12	61.7 Å²	61.7	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.6	178.4	-176.3	0	0	0	0	109.6	I64 Y68 R217 F232 L234	I64-V219 HydrophobicContact CG1-CG1 3.97Å; Y68-V219 HydrophobicContact CD2-CG2 4.48Å; Y68-V219 HydrophobicContact CE2-CB 4.39Å; Y68-V219 HydrophobicContact CE2-CG1 3.73Å; Y68-V219 HydrophobicContact CE2-CG2 3.67Å; R217-V219 HydrophobicContact CG-CG2 4.33Å; V219-F232 HydrophobicContact CB-CB 4.37Å; V219-F232 PolarHBondContact N-O 3.48Å; V219-F232 PolarHBondContact O-N 3.33Å; V219-L234 HydrophobicContact CG2-CB 3.9Å; V219-L234 HydrophobicContact CG2-CD2 4.43Å
220	K	96.8	Very high	94.9	Very high	83 Å²	83	62.4 Å²	62.4	36%	0.361	31%	0.309	S	S	.	.			trans	-117.8	102.4	170.8	-176.4	68.9	168.6	178.2	0	108.7	S224 R225 S228 E230 L231	K220-S224 PolarHBondContact NZ-OG 3.21Å; K220-R225 PolarHBondContact NZ-O 3.44Å; K220-S228 PolarHBondContact NZ-O 3.46Å; K220-E230 WeakPolarHBondContact CD-O 3.32Å; K220-E230 WeakPolarHBondContact CE-O 3.33Å; K220-E230 PolarHBondContact NZ-O 3.24Å; K220-L231 HydrophobicContact CB-CD2 3.76Å; K220-L231 HydrophobicContact CD-CD2 3.75Å; K220-L231 HydrophobicContact CG-CD2 4.19Å
221	P	96.4	Very high	94.8	Very high	7 Å²	7	61.5 Å²	61.5	5%	0.045	30%	0.3	C	S	.	.			trans	-67.2	149.7	174.1	26.6	-30.9	0	0	0	110.3	K60 E63 I64 A223 S224 F232	K60-P221 HydrophobicContact CB-CB 4.34Å; K60-P221 HydrophobicContact CB-CG 3.92Å; K60-P221 HydrophobicContact CG-CG 4.09Å; E63-P221 HydrophobicContact CB-CB 4.37Å; E63-P221 WeakPolarHBondContact OE2-CA 3.42Å; E63-P221 VanDerWaalsContact OE2-CB 3.26Å; E63-P221 WeakPolarHBondContact OE2-CB 3.35Å; I64-P221 HydrophobicContact CD1-CB 4.46Å; I64-P221 HydrophobicContact CD1-CG 4.15Å; I64-P221 HydrophobicContact CG1-CB 4.29Å; I64-P221 HydrophobicContact CG1-CG 4.48Å; P221-A223 PolarHBondContact O-N 3.2Å; P221-S224 VanDerWaalsContact O-CB 3.27Å; P221-S224 WeakPolarHBondContact O-CB 3.34Å; P221-S224 PolarHBondContact O-N 3Å; P221-F232 HydrophobicContact CG-CD2 4.09Å; P221-F232 HydrophobicContact CG-CE2 3.9Å
222	K	94.8	Very high	94.9	Very high	183 Å²	183	58.3 Å²	58.3	80%	0.796	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.7	174.6	-62.5	177.6	-178.8	175.7	0	111.4	E63 S224	E63-K222 WeakPolarHBondContact OE2-CA 3.14Å; E63-K222 PolarHBondContact OE2-N 2.89Å; K222-S224 PolarHBondContact O-N 3.46Å
223	A	94.9	Very high	95	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.9	171.7	0	0	0	0	0	113.7	F44 R56 F59 K60 E63 P221	F44-A223 HydrophobicContact CD1-CB 4.03Å; F44-A223 HydrophobicContact CD2-CB 4.41Å; F44-A223 HydrophobicContact CE1-CB 3.85Å; F44-A223 HydrophobicContact CE2-CB 4.27Å; F44-A223 HydrophobicContact CG-CB 4.28Å; F44-A223 HydrophobicContact CZ-CB 3.97Å; R56-A223 PolarHBondContact NH2-O 2.93Å; F59-A223 HydrophobicContact CB-CB 3.71Å; K60-A223 HydrophobicContact CG-CB 3.91Å; E63-A223 PolarHBondContact OE1-N 3.08Å; E63-A223 PolarHBondContact OE2-N 3.01Å; P221-A223 PolarHBondContact O-N 3.2Å
224	S	92.4	Very high	95	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.042	27%	0.27	C	S	.	.	S	Bend	trans	-71.8	136.6	170.3	-167	0	0	0	0	110	K220 P221 K222 E230	K220-S224 PolarHBondContact NZ-OG 3.21Å; P221-S224 VanDerWaalsContact O-CB 3.27Å; P221-S224 WeakPolarHBondContact O-CB 3.34Å; P221-S224 PolarHBondContact O-N 3Å; K222-S224 PolarHBondContact O-N 3.46Å; S224-E230 WeakPolarHBondContact CB-OE1 3.49Å; S224-E230 PolarHBondContact OG-OE1 3.49Å
225	R	89.9	Confident	95	Very high	44 Å²	44	49 Å²	49	17%	0.166	24%	0.237	C	C	.	.			trans	-64	137.6	179.8	-85.6	168.4	-173.4	171.1	2.5	110	Q39 D42 K220 E227 S228	Q39-R225 VanDerWaalsContact OE1-NH2 3.15Å; D42-R225 IonicContact OD2-CZ 3.31Å; D42-R225 VanDerWaalsContact OD2-CZ 3.31Å; D42-R225 IonicContact OD2-NE 2.93Å; D42-R225 PolarHBondContact OD2-NE 3.33Å; D42-R225 IonicContact OD2-NH2 2.8Å; D42-R225 PolarHBondContact OD2-NH2 2.88Å; K220-R225 PolarHBondContact NZ-O 3.44Å; R225-E227 WeakPolarHBondContact CB-OE2 3.44Å; R225-E227 WeakPolarHBondContact CD-OE1 3.29Å; R225-E227 PolarHBondContact O-N 2.86Å; R225-S228 WeakPolarHBondContact O-CB 3.2Å; R225-S228 PolarHBondContact O-N 3.18Å
226	K	87.3	Confident	95	Very high	205 Å²	205	49.2 Å²	49.2	89%	0.891	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-36.2	-177.6	-69.8	-173.7	178.1	-176.5	0	112	S228	K226-S228 VanDerWaalsContact C-N 3.26Å; K226-S228 PolarHBondContact O-N 2.94Å
227	E	86.7	Confident	95	Very high	105 Å²	105	50.3 Å²	50.3	49%	0.491	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.3	178.6	73.6	-79.5	-172.2	0	0	114.1	R38 R225	R38-E227 VanDerWaalsContact CD-OE1 3.25Å; R38-E227 WeakPolarHBondContact CD-OE1 3.38Å; R38-E227 IonicContact CZ-OE1 3.33Å; R38-E227 IonicContact NE-OE1 3.21Å; R38-E227 PolarHBondContact NE-OE1 3.09Å; R38-E227 IonicContact NH1-OE1 3.46Å; R38-E227 PolarHBondContact NH1-OE1 3.25Å; R225-E227 WeakPolarHBondContact CB-OE2 3.44Å; R225-E227 WeakPolarHBondContact CD-OE1 3.29Å; R225-E227 PolarHBondContact O-N 2.86Å
228	S	87.6	Confident	95	Very high	38 Å²	38	46 Å²	46	27%	0.266	23%	0.227	S	C	.	.			trans	-90	134.5	178.1	-177.7	0	0	0	0	110.6	K220 R225 K226 E230	K220-S228 PolarHBondContact NZ-O 3.46Å; R225-S228 WeakPolarHBondContact O-CB 3.2Å; R225-S228 PolarHBondContact O-N 3.18Å; K226-S228 VanDerWaalsContact C-N 3.26Å; K226-S228 PolarHBondContact O-N 2.94Å; S228-E230 PolarHBondContact O-N 3.48Å; S228-E230 WeakPolarHBondContact OG-CB 3.43Å; S228-E230 PolarHBondContact OG-N 2.67Å
229	S	90.7	Very high	94.8	Very high	63 Å²	63	48.3 Å²	48.3	44%	0.441	23%	0.228	S	C	.	.			trans	-70.6	3.7	168.4	53.8	0	0	0	0	113.7	W197 D198 L231	W197-S229 WeakPolarHBondContact CA-O 3.31Å; D198-S229 PolarHBondContact N-O 2.95Å; S229-L231 PolarHBondContact O-N 3.45Å
230	E	94.9	Very high	93.7	Very high	15 Å²	15	53.9 Å²	53.9	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	125.7	177.9	175.8	-178.7	87.6	0	0	112.3	K60 K195 K220 S224 S228 F232	K60-E230 WeakPolarHBondContact CE-OE1 3.35Å; K60-E230 IonicContact NZ-OE1 3.77Å; K60-E230 PolarHBondContact NZ-OE1 3.22Å; K60-E230 IonicContact NZ-OE2 3.08Å; K60-E230 PolarHBondContact NZ-OE2 2.74Å; K195-E230 HydrophobicContact CD-CG 3.55Å; K195-E230 WeakPolarHBondContact CD-OE2 3.5Å; K195-E230 HydrophobicContact CG-CG 3.91Å; K195-E230 IonicContact NZ-OE2 2.77Å; K220-E230 WeakPolarHBondContact CD-O 3.32Å; K220-E230 WeakPolarHBondContact CE-O 3.33Å; K220-E230 PolarHBondContact NZ-O 3.24Å; S224-E230 WeakPolarHBondContact CB-OE1 3.49Å; S224-E230 PolarHBondContact OG-OE1 3.49Å; S228-E230 PolarHBondContact O-N 3.48Å; S228-E230 WeakPolarHBondContact OG-CB 3.43Å; S228-E230 PolarHBondContact OG-N 2.67Å; E230-F232 HydrophobicContact CG-CE2 3.87Å; E230-F232 HydrophobicContact CG-CZ 4.27Å
231	L	97.4	Very high	92	Very high	30 Å²	30	54.5 Å²	54.5	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	167.7	171.9	-69.9	167.9	0	0	0	108.5	K195 Y196 D198 T218 K220 S229	K195-L231 CarbonylContact C-O 3.5Å; K195-L231 WeakPolarHBondContact CA-O 3.36Å; Y196-L231 HydrophobicContact CD1-CB 3.98Å; Y196-L231 WeakPolarHBondContact CD1-O 3.47Å; Y196-L231 HydrophobicContact CE1-CB 3.38Å; Y196-L231 HydrophobicContact CE2-CB 4Å; Y196-L231 HydrophobicContact CE2-CD1 4Å; Y196-L231 PolarHBondContact N-O 3.01Å; Y196-L231 PolarHBondContact O-N 2.98Å; Y196-L231 VanDerWaalsContact O-O 3.04Å; Y196-L231 WeakPolarHBondContact OH-CD1 3.28Å; D198-L231 HydrophobicContact CB-CD1 3.86Å; T218-L231 HydrophobicContact CG2-CB 4.13Å; T218-L231 HydrophobicContact CG2-CD1 4.08Å; T218-L231 HydrophobicContact CG2-CD2 3.86Å; T218-L231 HydrophobicContact CG2-CG 4.26Å; K220-L231 HydrophobicContact CB-CD2 3.76Å; K220-L231 HydrophobicContact CD-CD2 3.75Å; K220-L231 HydrophobicContact CG-CD2 4.19Å; S229-L231 PolarHBondContact O-N 3.45Å
232	F	98.6	Very high	89.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.4	175.4	-67	-95.8	0	0	0	109.8	K60 I64 W87 I193 C194 K195 T218 V219 P221 E230	K60-F232 HydrophobicContact CD-CE2 4.17Å; K60-F232 HydrophobicContact CD-CZ 3.85Å; I64-F232 HydrophobicContact CD1-CD1 4.46Å; I64-F232 HydrophobicContact CD1-CD2 4.26Å; I64-F232 HydrophobicContact CD1-CG 4.18Å; W87-F232 AromaticContact CH2-CD1 3.94Å; W87-F232 HydrophobicContact CH2-CD1 3.94Å; W87-F232 AromaticContact CH2-CE1 3.43Å; W87-F232 HydrophobicContact CH2-CE1 3.43Å; W87-F232 VanDerWaalsContact CH2-CE1 3.43Å; W87-F232 HydrophobicContact CH2-CZ 4.26Å; W87-F232 AromaticContact CZ2-CE1 3.69Å; W87-F232 HydrophobicContact CZ2-CE1 3.69Å; W87-F232 HydrophobicContact CZ2-CZ 4.07Å; I193-F232 HydrophobicContact CD1-CB 4.22Å; I193-F232 HydrophobicContact CD1-CD1 4.43Å; I193-F232 HydrophobicContact CG1-CB 4.2Å; I193-F232 HydrophobicContact CG1-CD1 4.23Å; C194-F232 CarbonylContact O-C 3.57Å; C194-F232 VanDerWaalsContact O-CA 3.23Å; C194-F232 WeakPolarHBondContact O-CA 3.25Å; K195-F232 HydrophobicContact CB-CD1 4Å; K195-F232 HydrophobicContact CB-CE1 3.59Å; K195-F232 HydrophobicContact CB-CZ 4.07Å; K195-F232 HydrophobicContact CD-CZ 4.39Å; K195-F232 HydrophobicContact CG-CE1 4.35Å; K195-F232 HydrophobicContact CG-CZ 4.36Å; T218-F232 CarbonylContact C-O 3.53Å; T218-F232 WeakPolarHBondContact CA-O 3.09Å; V219-F232 HydrophobicContact CB-CB 4.37Å; V219-F232 PolarHBondContact N-O 3.48Å; V219-F232 PolarHBondContact O-N 3.33Å; P221-F232 HydrophobicContact CG-CD2 4.09Å; P221-F232 HydrophobicContact CG-CE2 3.9Å; E230-F232 HydrophobicContact CG-CE2 3.87Å; E230-F232 HydrophobicContact CG-CZ 4.27Å
233	F	98.7	Very high	86.8	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.9	161.9	-76	-58.4	0	0	0	108.6	I193 C194 Y196 L205 Q206 L209 V216 R217 T218	I193-F233 VanDerWaalsContact CA-O 3.31Å; I193-F233 WeakPolarHBondContact CA-O 3.31Å; I193-F233 WeakPolarHBondContact CG1-O 3.47Å; C194-F233 PolarHBondContact N-O 2.97Å; C194-F233 VanDerWaalsContact N-O 3.12Å; C194-F233 PolarHBondContact O-N 2.61Å; Y196-F233 AromaticContact CD1-CD2 3.36Å; Y196-F233 HydrophobicContact CD1-CD2 3.36Å; Y196-F233 AromaticContact CD1-CE2 3.53Å; Y196-F233 HydrophobicContact CD1-CE2 3.53Å; Y196-F233 AromaticContact CD1-CG 3.95Å; Y196-F233 HydrophobicContact CD1-CG 3.95Å; Y196-F233 HydrophobicContact CD1-CZ 4.24Å; Y196-F233 AromaticContact CD2-CE2 3.93Å; Y196-F233 HydrophobicContact CD2-CE2 3.93Å; Y196-F233 HydrophobicContact CD2-CZ 4.45Å; Y196-F233 AromaticContact CE1-CD1 3.94Å; Y196-F233 HydrophobicContact CE1-CD1 3.94Å; Y196-F233 AromaticContact CE1-CD2 3.45Å; Y196-F233 HydrophobicContact CE1-CD2 3.45Å; Y196-F233 VanDerWaalsContact CE1-CD2 3.45Å; Y196-F233 AromaticContact CE1-CE1 3.91Å; Y196-F233 HydrophobicContact CE1-CE1 3.91Å; Y196-F233 AromaticContact CE1-CE2 3.43Å; Y196-F233 HydrophobicContact CE1-CE2 3.43Å; Y196-F233 VanDerWaalsContact CE1-CE2 3.43Å; Y196-F233 AromaticContact CE1-CG 3.71Å; Y196-F233 HydrophobicContact CE1-CG 3.71Å; Y196-F233 AromaticContact CE1-CZ 3.65Å; Y196-F233 HydrophobicContact CE1-CZ 3.65Å; Y196-F233 AromaticContact CE2-CE2 3.87Å; Y196-F233 HydrophobicContact CE2-CE2 3.87Å; Y196-F233 AromaticContact CE2-CZ 3.93Å; Y196-F233 HydrophobicContact CE2-CZ 3.93Å; Y196-F233 AromaticContact CG-CD2 3.95Å; Y196-F233 HydrophobicContact CG-CD2 3.95Å; Y196-F233 AromaticContact CG-CE2 3.78Å; Y196-F233 HydrophobicContact CG-CE2 3.78Å; Y196-F233 AromaticContact CZ-CE1 3.92Å; Y196-F233 AromaticContact CZ-CE2 3.6Å; Y196-F233 AromaticContact CZ-CZ 3.47Å; Y196-F233 VanDerWaalsContact CZ-CZ 3.47Å; L205-F233 HydrophobicContact CB-CE2 4.43Å; L205-F233 HydrophobicContact CD2-CD2 3.94Å; L205-F233 HydrophobicContact CD2-CE2 4.02Å; L205-F233 HydrophobicContact CG-CD2 4.18Å; L205-F233 HydrophobicContact CG-CE2 4.18Å; Q206-F233 HydrophobicContact CB-CE1 3.88Å; Q206-F233 HydrophobicContact CB-CE2 4.3Å; Q206-F233 HydrophobicContact CB-CZ 3.65Å; Q206-F233 HydrophobicContact CG-CD1 4.42Å; Q206-F233 HydrophobicContact CG-CE1 3.76Å; Q206-F233 HydrophobicContact CG-CZ 4.09Å; L209-F233 HydrophobicContact CD1-CB 3.68Å; L209-F233 HydrophobicContact CD1-CD2 3.93Å; L209-F233 HydrophobicContact CD1-CG 3.89Å; V216-F233 HydrophobicContact CG1-CD1 4.05Å; R217-F233 WeakPolarHBondContact O-CA 3.49Å; T218-F233 WeakPolarHBondContact OG1-CE1 3.39Å
234	L	98.8	Very high	83.8	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	109.6	166.5	173	61.1	0	0	0	107.8	Y68 L70 I193 V216 R217 V219 R236	Y68-L234 HydrophobicContact CD1-CD2 3.6Å; Y68-L234 HydrophobicContact CD2-CD2 3.72Å; Y68-L234 HydrophobicContact CE1-CD2 4.14Å; Y68-L234 HydrophobicContact CE2-CD2 4.28Å; Y68-L234 HydrophobicContact CG-CD2 3.38Å; L70-L234 HydrophobicContact CD1-CD1 4.09Å; I193-L234 HydrophobicContact CB-CD1 4.36Å; V216-L234 WeakPolarHBondContact CA-O 3.48Å; R217-L234 HydrophobicContact CG-CB 3.98Å; R217-L234 HydrophobicContact CG-CD2 4.38Å; R217-L234 HydrophobicContact CG-CG 4.39Å; R217-L234 PolarHBondContact N-O 3.24Å; R217-L234 PolarHBondContact O-N 3.49Å; V219-L234 HydrophobicContact CG2-CB 3.9Å; V219-L234 HydrophobicContact CG2-CD2 4.43Å; L234-R236 HydrophobicContact CD1-CG 4.23Å; L234-R236 HydrophobicContact CG-CG 4.25Å
235	A	98.7	Very high	83.4	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.8	179.4	0	0	0	0	0	110.1	S191 L192 L209 F213 D215 V216	S191-A235 CarbonylContact C-O 3.57Å; S191-A235 WeakPolarHBondContact CA-O 3.27Å; L192-A235 HydrophobicContact CB-CB 4.4Å; L192-A235 PolarHBondContact N-O 3.38Å; L192-A235 PolarHBondContact O-N 3.25Å; L192-A235 VanDerWaalsContact O-O 3.13Å; L209-A235 HydrophobicContact CD2-CB 4.21Å; F213-A235 HydrophobicContact CB-CB 4.04Å; F213-A235 HydrophobicContact CD1-CB 3.86Å; F213-A235 HydrophobicContact CD2-CB 3.67Å; F213-A235 HydrophobicContact CE1-CB 4.21Å; F213-A235 HydrophobicContact CE2-CB 4.07Å; F213-A235 HydrophobicContact CG-CB 3.58Å; F213-A235 HydrophobicContact CZ-CB 4.33Å; D215-A235 CarbonylContact O-C 3.58Å; D215-A235 WeakPolarHBondContact O-CA 3.49Å; V216-A235 HydrophobicContact CG2-CB 4.01Å
236	R	98.5	Very high	83.1	Confident	54 Å²	54	75.5 Å²	75.5	20%	0.204	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.4	-170	-70.3	-172.8	154.2	-169.4	-14.4	112.7	Y68 F213 R214 D215 L234	Y68-R236 VanDerWaalsContact C-NH2 3.35Å; Y68-R236 PolarHBondContact O-NH1 3.46Å; Y68-R236 PolarHBondContact O-NH2 3.06Å; F213-R236 WeakPolarHBondContact CB-O 3.36Å; R214-R236 PolarHBondContact N-O 3.45Å; D215-R236 HydrophobicContact CB-CB 4.25Å; D215-R236 PolarHBondContact N-O 3.26Å; D215-R236 PolarHBondContact O-N 2.9Å; L234-R236 HydrophobicContact CD1-CG 4.23Å; L234-R236 HydrophobicContact CG-CG 4.25Å
237	S	97.7	Very high	82.8	Confident	47 Å²	47	68.3 Å²	68.3	33%	0.329	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.9	63.8	178.3	-53.2	0	0	0	0	110.2	G190 R214 R239	G190-S237 PolarHBondContact O-N 3.43Å; R214-S237 PolarHBondContact N-O 2.99Å; S237-R239 PolarHBondContact O-N 2.95Å
238	Y	98.3	Very high	82.6	Confident	10 Å²	10	66.2 Å²	66.2	4%	0.039	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	130.1	175.1	-173.9	-120.3	0	0	0	110.3	A182 A183 L186 G189 G190 V212 F213	A182-Y238 HydrophobicContact CB-CE2 4.38Å; A183-Y238 VanDerWaalsContact CA-OH 3.27Å; A183-Y238 WeakPolarHBondContact CA-OH 3.42Å; L186-Y238 HydrophobicContact CB-CD1 4.14Å; L186-Y238 HydrophobicContact CB-CE1 4.42Å; L186-Y238 HydrophobicContact CD2-CD1 4.18Å; L186-Y238 HydrophobicContact CD2-CD2 4.07Å; L186-Y238 HydrophobicContact CD2-CG 3.74Å; L186-Y238 HydrophobicContact CG-CD1 4.21Å; L186-Y238 HydrophobicContact CG-CG 4.23Å; L186-Y238 WeakPolarHBondContact O-CD1 3.42Å; L186-Y238 WeakPolarHBondContact O-CE1 3.26Å; G189-Y238 PolarHBondContact N-O 2.88Å; G190-Y238 PolarHBondContact O-N 3.28Å; V212-Y238 HydrophobicContact CB-CD2 4.41Å; V212-Y238 HydrophobicContact CB-CE2 3.9Å; V212-Y238 HydrophobicContact CG2-CD2 4.41Å; V212-Y238 HydrophobicContact CG2-CE2 3.99Å; F213-Y238 HydrophobicContact CD1-CD2 4.11Å; F213-Y238 HydrophobicContact CD2-CD2 4.4Å; F213-Y238 AromaticContact CE1-CD2 3.67Å; F213-Y238 HydrophobicContact CE1-CD2 3.67Å; F213-Y238 HydrophobicContact CE1-CG 4.07Å; F213-Y238 AromaticContact CE2-CD2 3.96Å; F213-Y238 HydrophobicContact CE2-CD2 3.96Å; F213-Y238 HydrophobicContact CE2-CE2 4.46Å; F213-Y238 HydrophobicContact CG-CD2 4.46Å; F213-Y238 AromaticContact CZ-CD2 3.56Å; F213-Y238 HydrophobicContact CZ-CD2 3.56Å; F213-Y238 HydrophobicContact CZ-CE2 4.33Å; F213-Y238 HydrophobicContact CZ-CG 4.3Å
239	R	94.4	Very high	82.3	Confident	110 Å²	110	67.9 Å²	67.9	42%	0.415	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-90	123.7	175.7	-55.7	175.1	-165.3	-168.6	8.9	106	V212 F213 R214 S237 N241	V212-R239 WeakPolarHBondContact O-CB 3.34Å; V212-R239 WeakPolarHBondContact O-CG 3.39Å; V212-R239 PolarHBondContact O-N 3.36Å; F213-R239 PolarHBondContact O-NE 3.23Å; F213-R239 PolarHBondContact O-NH2 3.49Å; R214-R239 HydrophobicContact CG-CG 4.05Å; S237-R239 PolarHBondContact O-N 2.95Å; R239-N241 PolarHBondContact O-N 3.04Å; R239-N241 VanDerWaalsContact O-N 3.08Å
240	E	73.4	Confident	81.7	Confident	130 Å²	130	68.3 Å²	68.3	61%	0.607	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-55.4	119.4	167.3	-154.2	167.7	-172.9	0	0	107.9	T188 K242	T188-E240 WeakPolarHBondContact OG1-CB 2.76Å; T188-E240 PolarHBondContact OG1-OE2 2.93Å; E240-K242 PolarHBondContact O-N 3.18Å
241	N	61.6	Low	80.8	Confident	95 Å²	95	72.1 Å²	72.1	51%	0.508	36%	0.359	S	S	.	.			trans	-66.6	97.4	165.2	-92.3	-12.6	0	0	0	106	R239 I243	R239-N241 PolarHBondContact O-N 3.04Å; R239-N241 VanDerWaalsContact O-N 3.08Å; N241-I243 PolarHBondContact O-N 3.16Å
242	K	43.8	Very low	79.5	Confident	176 Å²	176	75.3 Å²	75.3	77%	0.765	38%	0.375	S	S	*	.			trans	-62.1	93.3	155.1	-69.7	-168.6	177	-171.3	0	105.6	E240 V244	E240-K242 PolarHBondContact O-N 3.18Å; K242-V244 HydrophobicContact CB-CG2 4.49Å; K242-V244 PolarHBondContact O-N 3.34Å
243	I	38.5	Very low	77.9	Confident	163 Å²	163	81.6 Å²	81.6	84%	0.836	41%	0.406	S	S	*	.			trans	-61.8	102.1	153.9	-57.6	178.9	0	0	0	103.2	N241	N241-I243 PolarHBondContact O-N 3.16Å
244	V	32.9	Very low	76.1	Confident	192 Å²	192	88.8 Å²	88.8	100%	1.164	44%	0.442	S	S	*	.			trans	-72.9	0	163.8	179.9	0	0	0	0	107.1	K242	K242-V244 HydrophobicContact CB-CG2 4.49Å; K242-V244 PolarHBondContact O-N 3.34Å

Retrieved 244 of 244 residues in 1905.2 ms (Link to these results)

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