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Cathepsin B

Thiol protease which is believed to participate in intracellular degradation and turnover of proteins. Cleaves matrix extracellular phosphoglycoprotein MEPE. Involved in the solubilization of cross-linked TG/thyroglobulin in the thyroid follicle lumen. Has also been implicated in tumor invasion and metastasis.

AlphaFold DB (P07858), UniProt , Accession A0A024R374, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 339 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.4	Very low	39.1	Very low	237 Å²	237	167.5 Å²	167.5	100%	1.167	87%	0.869	S	S	*	*				0	92.7	0	-74.8	-179.8	-73.1	0	0	108.1
2	W	35.5	Very low	39	Very low	261 Å²	261	166.6 Å²	166.6	99%	0.989	87%	0.865	S	S	*	*			trans	-108.7	102.1	175.3	-79.4	23.3	0	0	0	106.8
3	Q	38.7	Very low	39.2	Very low	186 Å²	186	163.5 Å²	163.5	87%	0.869	86%	0.857	S	S	*	*			trans	-98.1	111.3	170.8	-96.4	178.4	-32.6	0	0	108.5	W5	Q3-W5 PolarHBondContact O-N 3.36Å
4	L	40.2	Very low	39.2	Very low	172 Å²	172	163.5 Å²	163.5	90%	0.901	86%	0.857	S	S	*	*			trans	-58.4	125.4	173.1	-79.5	140.5	0	0	0	110.5	A6	L4-A6 PolarHBondContact O-N 3.47Å
5	W	39.3	Very low	39.6	Very low	243 Å²	243	158.5 Å²	158.5	92%	0.92	85%	0.849	S	S	*	*			trans	-75.6	106.7	168.4	-76.6	32.6	0	0	0	108.6	Q3 S7	Q3-W5 PolarHBondContact O-N 3.36Å; W5-S7 PolarHBondContact O-N 3.48Å
6	A	41	Very low	39.6	Very low	97 Å²	97	157.9 Å²	157.9	80%	0.802	85%	0.846	S	S	*	*			trans	-84	98.8	167	0	0	0	0	0	108.4	L4 L8	L4-A6 PolarHBondContact O-N 3.47Å; A6-L8 PolarHBondContact O-N 3.14Å
7	S	43.1	Very low	39.8	Very low	104 Å²	104	154 Å²	154	73%	0.727	84%	0.84	S	S	*	*			trans	-70.1	111.4	172.4	-58	0	0	0	0	109.8	W5 C9	W5-S7 PolarHBondContact O-N 3.48Å; S7-C9 PolarHBondContact O-N 2.86Å; S7-C9 VanDerWaalsContact O-N 3.1Å
8	L	39	Very low	40.3	Very low	158 Å²	158	158.1 Å²	158.1	83%	0.827	84%	0.841	S	S	*	*			trans	-63.3	102.1	170.2	-129.5	89.2	0	0	0	109.1	A6 C10	A6-L8 PolarHBondContact O-N 3.14Å; L8-C10 PolarHBondContact O-N 3.44Å
9	C	37.8	Very low	41.5	Very low	119 Å²	119	155.6 Å²	155.6	80%	0.804	84%	0.838	S	S	*	*			trans	-79.1	94.9	165.6	-91.2	0	0	0	0	109	S7 L11	S7-C9 PolarHBondContact O-N 2.86Å; S7-C9 VanDerWaalsContact O-N 3.1Å; C9-L11 PolarHBondContact O-N 2.87Å; C9-L11 VanDerWaalsContact O-N 3.1Å
10	C	35.6	Very low	42.7	Very low	105 Å²	105	155.8 Å²	155.8	71%	0.709	83%	0.826	S	S	*	*			trans	-70.1	95.9	163.1	-78	0	0	0	0	109.1	L8 L12	L8-C10 PolarHBondContact O-N 3.44Å; C10-L12 PolarHBondContact O-N 2.94Å; C10-L12 VanDerWaalsContact O-N 3.1Å
11	L	39	Very low	43.9	Very low	161 Å²	161	150.8 Å²	150.8	84%	0.843	80%	0.802	S	S	*	*			trans	-71.4	95.1	165.4	-86.8	159.1	0	0	0	109	C9 V13	C9-L11 PolarHBondContact O-N 2.87Å; C9-L11 VanDerWaalsContact O-N 3.1Å; L11-V13 PolarHBondContact O-N 3.37Å; L11-V13 VanDerWaalsContact O-N 3.15Å
12	L	37.7	Very low	45.4	Very low	156 Å²	156	145.3 Å²	145.3	82%	0.817	79%	0.787	S	S	*	*			trans	-70.1	98.4	164.1	-82.7	160.1	0	0	0	108.6	C10 L14	C10-L12 PolarHBondContact O-N 2.94Å; C10-L12 VanDerWaalsContact O-N 3.1Å; L12-L14 PolarHBondContact O-N 3.42Å; L12-L14 VanDerWaalsContact O-N 3.09Å
13	V	41.6	Very low	47.4	Very low	127 Å²	127	134.9 Å²	134.9	77%	0.77	75%	0.749	S	S	*	*			trans	-73.6	95.2	167.1	179.6	0	0	0	0	107.6	L11 A15	L11-V13 PolarHBondContact O-N 3.37Å; L11-V13 VanDerWaalsContact O-N 3.15Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 3.25Å
14	L	39.3	Very low	49.4	Very low	163 Å²	163	131.8 Å²	131.8	85%	0.853	73%	0.734	S	S	*	*			trans	-68.6	90.9	164.9	-77.9	163.8	0	0	0	107.9	L12 N16	L12-L14 PolarHBondContact O-N 3.42Å; L12-L14 VanDerWaalsContact O-N 3.09Å; L14-N16 PolarHBondContact O-N 2.81Å
15	A	44.7	Very low	51.2	Low	89 Å²	89	123.8 Å²	123.8	74%	0.736	69%	0.693	S	S	*	*			trans	-63.1	101	165.7	0	0	0	0	0	107.7	V13 A17	V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 3.25Å; A15-A17 PolarHBondContact O-N 3Å
16	N	39.2	Very low	53.3	Low	149 Å²	149	113.6 Å²	113.6	80%	0.797	66%	0.656	S	S	*	*			trans	-71.9	78.4	175.2	-135.3	-14.8	0	0	0	107.7	L14 R18	L14-N16 PolarHBondContact O-N 2.81Å; N16-R18 PolarHBondContact O-N 3.46Å
17	A	44.1	Very low	55.7	Low	91 Å²	91	109.9 Å²	109.9	75%	0.752	62%	0.624	S	S	*	*			trans	-66.7	86.7	166.8	0	0	0	0	0	106.8	A15 S19	A15-A17 PolarHBondContact O-N 3Å; A17-S19 VanDerWaalsContact C-N 3.3Å; A17-S19 PolarHBondContact O-N 3.49Å
18	R	49	Very low	58.1	Low	228 Å²	228	110.1 Å²	110.1	86%	0.86	62%	0.617	S	S	*	*			trans	-58.9	100.5	167.5	-83.1	-177.4	174.3	173.1	-1.7	106.6	N16 R20	N16-R18 PolarHBondContact O-N 3.46Å; R18-R20 PolarHBondContact O-N 2.87Å
19	S	62.1	Low	60.8	Low	110 Å²	110	108.5 Å²	108.5	77%	0.769	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-53.2	127.8	169.6	39.9	0	0	0	0	108	A17	A17-S19 VanDerWaalsContact C-N 3.3Å; A17-S19 PolarHBondContact O-N 3.49Å
20	R	64.8	Low	63.4	Low	159 Å²	159	102.9 Å²	102.9	60%	0.6	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-58.8	133.5	172.4	-76	-174.3	176.9	-174	-2.7	107.6	R18 S22 H269 V270	R18-R20 PolarHBondContact O-N 2.87Å; R20-S22 PolarHBondContact O-N 3.02Å; R20-H269 PolarHBondContact NH1-NE2 3.14Å; R20-V270 PolarHBondContact NH1-O 2.95Å; R20-V270 VanDerWaalsContact NH1-O 3.13Å
21	P	68.6	Low	66.3	Low	52 Å²	52	98.5 Å²	98.5	34%	0.338	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-60	134.9	178.5	23.8	-31.9	0	0	0	110.1	F23 Y33	P21-F23 HydrophobicContact CB-CD2 4.46Å; P21-F23 HydrophobicContact CB-CE1 4.44Å; P21-F23 HydrophobicContact CB-CE2 3.73Å; P21-F23 HydrophobicContact CB-CZ 3.7Å; P21-F23 HydrophobicContact CG-CE2 3.59Å; P21-F23 HydrophobicContact CG-CZ 3.84Å; P21-Y33 HydrophobicContact CG-CD2 4.49Å; P21-Y33 HydrophobicContact CG-CE2 3.91Å
22	S	73.7	Confident	69.1	Low	122 Å²	122	94.9 Å²	94.9	85%	0.853	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-89.4	126.8	173.3	-177.5	0	0	0	0	108.8	R20	R20-S22 PolarHBondContact O-N 3.02Å
23	F	76.7	Confident	71.9	Confident	42 Å²	42	90.3 Å²	90.3	18%	0.184	49%	0.491	C	S	.	.			trans	-123.3	149.8	176.8	-60.5	-72.5	0	0	0	109	P21 E29 L30 Y33	P21-F23 HydrophobicContact CB-CD2 4.46Å; P21-F23 HydrophobicContact CB-CE1 4.44Å; P21-F23 HydrophobicContact CB-CE2 3.73Å; P21-F23 HydrophobicContact CB-CZ 3.7Å; P21-F23 HydrophobicContact CG-CE2 3.59Å; P21-F23 HydrophobicContact CG-CZ 3.84Å; F23-E29 HydrophobicContact CD1-CB 3.74Å; F23-E29 HydrophobicContact CE1-CB 3.97Å; F23-L30 HydrophobicContact CB-CB 3.88Å; F23-L30 HydrophobicContact CB-CD1 4.17Å; F23-L30 HydrophobicContact CB-CG 4.45Å; F23-L30 HydrophobicContact CD2-CD1 3.85Å; F23-L30 HydrophobicContact CG-CB 4.34Å; F23-L30 HydrophobicContact CG-CD1 4.37Å; F23-Y33 HydrophobicContact CE2-CD1 4Å; F23-Y33 AromaticContact CE2-CD2 3.85Å; F23-Y33 HydrophobicContact CE2-CD2 3.85Å; F23-Y33 HydrophobicContact CE2-CE2 4.41Å; F23-Y33 AromaticContact CE2-CG 3.62Å; F23-Y33 HydrophobicContact CE2-CG 3.62Å; F23-Y33 AromaticContact CZ-CD2 3.9Å; F23-Y33 HydrophobicContact CZ-CD2 3.9Å; F23-Y33 AromaticContact CZ-CG 4Å; F23-Y33 HydrophobicContact CZ-CG 4Å
24	H	80.8	Confident	74.5	Confident	120 Å²	120	84.3 Å²	84.3	56%	0.556	46%	0.455	S	S	*	.			trans	-59.7	134.5	169.3	-177.4	-91	0	0	0	109.4	L26 S27	H24-L26 PolarHBondContact ND1-N 3.38Å; H24-L26 PolarHBondContact O-N 3.1Å; H24-S27 PolarHBondContact O-N 2.85Å; H24-S27 PolarHBondContact O-OG 2.97Å
25	P	78.4	Confident	77.3	Confident	4 Å²	4	79.2 Å²	79.2	3%	0.026	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.2	-171.4	-35.4	40.5	0	0	0	116.6	L30 M52 E273	P25-L30 WeakPolarHBondContact O-CD2 3.25Å; P25-M52 HydrophobicContact CB-CE 3.86Å; P25-M52 HydrophobicContact CB-SD 4.32Å; P25-M52 HydrophobicContact CG-CE 3.55Å; P25-M52 HydrophobicContact CG-SD 3.96Å; P25-E273 VanDerWaalsContact CG-OE1 3.32Å; P25-E273 WeakPolarHBondContact CG-OE1 3.43Å
26	L	83.1	Confident	79.8	Confident	29 Å²	29	83.3 Å²	83.3	15%	0.152	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	25.6	179.8	-57.2	-177.9	0	0	0	112.9	H24 H45 F47 V50 L55 L261	H24-L26 PolarHBondContact ND1-N 3.38Å; H24-L26 PolarHBondContact O-N 3.1Å; L26-H45 PolarHBondContact O-CE1 2.84Å; L26-F47 HydrophobicContact CD1-CB 3.8Å; L26-F47 HydrophobicContact CD2-CB 3.92Å; L26-F47 HydrophobicContact CD2-CD2 4.38Å; L26-V50 HydrophobicContact CD1-CG2 3.78Å; L26-L55 HydrophobicContact CD1-CD1 3.83Å; L26-L55 HydrophobicContact CD2-CD1 4.26Å; L26-L55 HydrophobicContact CG-CD1 4Å; L26-L261 HydrophobicContact CD2-CD2 4.16Å
27	S	91.4	Very high	82.4	Confident	20 Å²	20	83.5 Å²	83.5	14%	0.14	42%	0.419	C	S	.	.			trans	-80.6	148.9	177.9	69.6	0	0	0	0	112.7	H24 E29 L30 V31	H24-S27 PolarHBondContact O-N 2.85Å; H24-S27 PolarHBondContact O-OG 2.97Å; S27-E29 PolarHBondContact O-N 3.27Å; S27-L30 PolarHBondContact O-N 3.38Å; S27-L30 VanDerWaalsContact O-N 3.13Å; S27-L30 PolarHBondContact OG-N 3.36Å; S27-V31 PolarHBondContact O-N 2.79Å
28	D	94.4	Very high	84.7	Confident	108 Å²	108	86.3 Å²	86.3	58%	0.578	42%	0.422	S	S	*	.	H	α-helix	trans	-55.5	-30.6	166.9	-71.4	-33.7	0	0	0	111.8	V31 N32 H45	D28-V31 PolarHBondContact O-N 3.41Å; D28-N32 VanDerWaalsContact O-CB 3.23Å; D28-N32 WeakPolarHBondContact O-CB 3.49Å; D28-N32 PolarHBondContact O-N 3.22Å; D28-N32 PolarHBondContact O-ND2 3.08Å; D28-H45 IonicContact OD1-CD2 3.94Å; D28-H45 IonicContact OD1-CE1 2.67Å; D28-H45 IonicContact OD1-NE2 3.08Å; D28-H45 PolarHBondContact OD1-NE2 3.45Å
29	E	94.9	Very high	87	Confident	124 Å²	124	77.4 Å²	77.4	58%	0.579	39%	0.393	S	S	*	.	H	α-helix	trans	-64.1	-40.7	178.2	-58.7	169.3	158.2	0	0	111.6	F23 S27 N32 Y33	F23-E29 HydrophobicContact CD1-CB 3.74Å; F23-E29 HydrophobicContact CE1-CB 3.97Å; S27-E29 PolarHBondContact O-N 3.27Å; E29-N32 PolarHBondContact O-N 3.34Å; E29-Y33 WeakPolarHBondContact O-CB 3.37Å; E29-Y33 PolarHBondContact O-N 2.67Å
30	L	93.3	Very high	88.7	Confident	1 Å²	1	74 Å²	74	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-46.3	177.1	-177	57.8	0	0	0	110.9	F23 P25 S27 N32 Y33 V34 L261 T271	F23-L30 HydrophobicContact CB-CB 3.88Å; F23-L30 HydrophobicContact CB-CD1 4.17Å; F23-L30 HydrophobicContact CB-CG 4.45Å; F23-L30 HydrophobicContact CD2-CD1 3.85Å; F23-L30 HydrophobicContact CG-CB 4.34Å; F23-L30 HydrophobicContact CG-CD1 4.37Å; P25-L30 WeakPolarHBondContact O-CD2 3.25Å; S27-L30 PolarHBondContact O-N 3.38Å; S27-L30 VanDerWaalsContact O-N 3.13Å; S27-L30 PolarHBondContact OG-N 3.36Å; L30-N32 PolarHBondContact O-N 3.31Å; L30-Y33 PolarHBondContact O-N 2.8Å; L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 2.63Å; L30-L261 HydrophobicContact CB-CD1 4.09Å; L30-L261 HydrophobicContact CD2-CD1 3.66Å; L30-L261 HydrophobicContact CG-CD1 3.59Å; L30-T271 HydrophobicContact CD1-CG2 3.33Å
31	V	96.5	Very high	90.3	Very high	13 Å²	13	66.7 Å²	66.7	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-55.3	-52	174.1	172.8	0	0	0	0	110.5	S27 D28 Y33 V34 N35 A43 L261	S27-V31 PolarHBondContact O-N 2.79Å; D28-V31 PolarHBondContact O-N 3.41Å; V31-Y33 VanDerWaalsContact C-N 3.33Å; V31-Y33 PolarHBondContact O-N 2.81Å; V31-V34 PolarHBondContact O-N 3.03Å; V31-N35 WeakPolarHBondContact O-CB 3.23Å; V31-N35 PolarHBondContact O-N 3.35Å; V31-N35 PolarHBondContact O-ND2 3.07Å; V31-A43 HydrophobicContact CG1-CB 4.28Å; V31-L261 HydrophobicContact CG2-CD1 3.73Å; V31-L261 HydrophobicContact CG2-CD2 3.99Å; V31-L261 HydrophobicContact CG2-CG 4.32Å
32	N	96.6	Very high	91.8	Very high	85 Å²	85	68.8 Å²	68.8	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-37.3	-179.5	-74.4	-43	0	0	0	112.3	D28 E29 L30 K36	D28-N32 VanDerWaalsContact O-CB 3.23Å; D28-N32 WeakPolarHBondContact O-CB 3.49Å; D28-N32 PolarHBondContact O-N 3.22Å; D28-N32 PolarHBondContact O-ND2 3.08Å; E29-N32 PolarHBondContact O-N 3.34Å; L30-N32 PolarHBondContact O-N 3.31Å; N32-K36 WeakPolarHBondContact O-CB 3.24Å; N32-K36 VanDerWaalsContact O-CG 3.25Å; N32-K36 WeakPolarHBondContact O-CG 3.27Å; N32-K36 PolarHBondContact O-N 2.66Å
33	Y	96.2	Very high	92.9	Very high	61 Å²	61	63.4 Å²	63.4	24%	0.239	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-48.1	177.5	178.2	-93.6	0	0	0	111.1	P21 F23 E29 L30 V31 K36 R37 V270 T271	P21-Y33 HydrophobicContact CG-CD2 4.49Å; P21-Y33 HydrophobicContact CG-CE2 3.91Å; F23-Y33 HydrophobicContact CE2-CD1 4Å; F23-Y33 AromaticContact CE2-CD2 3.85Å; F23-Y33 HydrophobicContact CE2-CD2 3.85Å; F23-Y33 HydrophobicContact CE2-CE2 4.41Å; F23-Y33 AromaticContact CE2-CG 3.62Å; F23-Y33 HydrophobicContact CE2-CG 3.62Å; F23-Y33 AromaticContact CZ-CD2 3.9Å; F23-Y33 HydrophobicContact CZ-CD2 3.9Å; F23-Y33 AromaticContact CZ-CG 4Å; F23-Y33 HydrophobicContact CZ-CG 4Å; E29-Y33 WeakPolarHBondContact O-CB 3.37Å; E29-Y33 PolarHBondContact O-N 2.67Å; L30-Y33 PolarHBondContact O-N 2.8Å; V31-Y33 VanDerWaalsContact C-N 3.33Å; V31-Y33 PolarHBondContact O-N 2.81Å; Y33-K36 PolarHBondContact O-N 2.87Å; Y33-R37 HydrophobicContact CE1-CG 4.24Å; Y33-R37 WeakPolarHBondContact O-CG 3.4Å; Y33-R37 PolarHBondContact O-N 2.83Å; Y33-V270 HydrophobicContact CE1-CG1 4.01Å; Y33-T271 HydrophobicContact CD1-CG2 3.61Å; Y33-T271 HydrophobicContact CE1-CG2 3.67Å
34	V	96.4	Very high	93.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-50.8	177	172.3	0	0	0	0	110.6	L30 V31 K36 R37 W41 A43 D258	L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 2.63Å; V31-V34 PolarHBondContact O-N 3.03Å; V34-K36 VanDerWaalsContact C-N 3.27Å; V34-K36 PolarHBondContact O-N 2.92Å; V34-R37 WeakPolarHBondContact O-CB 3.32Å; V34-R37 PolarHBondContact O-N 3.3Å; V34-W41 HydrophobicContact CB-CH2 4.42Å; V34-W41 HydrophobicContact CB-CZ2 4.45Å; V34-W41 HydrophobicContact CG1-CD2 4.21Å; V34-W41 HydrophobicContact CG1-CE3 4.35Å; V34-W41 HydrophobicContact CG1-CH2 3.6Å; V34-W41 HydrophobicContact CG1-CZ2 3.42Å; V34-W41 VanDerWaalsContact CG1-CZ2 3.42Å; V34-W41 HydrophobicContact CG1-CZ3 4.06Å; V34-W41 HydrophobicContact CG2-CH2 4.16Å; V34-W41 HydrophobicContact CG2-CZ2 4.18Å; V34-A43 HydrophobicContact CB-CB 3.89Å; V34-A43 HydrophobicContact CG1-CB 3.8Å; V34-D258 HydrophobicContact CG2-CB 4.22Å
35	N	97.6	Very high	94.5	Very high	57 Å²	57	57.9 Å²	57.9	31%	0.305	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-33.9	-177.8	-72.9	-26.4	0	0	0	112.5	V31 R37 N38 A43	V31-N35 WeakPolarHBondContact O-CB 3.23Å; V31-N35 PolarHBondContact O-N 3.35Å; V31-N35 PolarHBondContact O-ND2 3.07Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 2.58Å; N35-N38 PolarHBondContact O-N 3.42Å; N35-A43 PolarHBondContact ND2-O 3.25Å; N35-A43 PolarHBondContact OD1-N 2.84Å
36	K	97.2	Very high	95.3	Very high	174 Å²	174	57.7 Å²	57.7	76%	0.757	29%	0.285	S	S	*	.	H	α-helix	trans	-69.9	-17.8	174.9	-79.2	177.3	179.5	177	0	114.2	N32 Y33 V34 N38	N32-K36 WeakPolarHBondContact O-CB 3.24Å; N32-K36 VanDerWaalsContact O-CG 3.25Å; N32-K36 WeakPolarHBondContact O-CG 3.27Å; N32-K36 PolarHBondContact O-N 2.66Å; Y33-K36 PolarHBondContact O-N 2.87Å; V34-K36 VanDerWaalsContact C-N 3.27Å; V34-K36 PolarHBondContact O-N 2.92Å; K36-N38 VanDerWaalsContact C-N 3.27Å; K36-N38 PolarHBondContact O-N 2.91Å
37	R	94.8	Very high	95.7	Very high	154 Å²	154	56.4 Å²	56.4	58%	0.581	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-8	180	-69.2	-71.5	-65.7	178.6	-0.4	113.2	Y33 V34 N35 T39 V270	Y33-R37 HydrophobicContact CE1-CG 4.24Å; Y33-R37 WeakPolarHBondContact O-CG 3.4Å; Y33-R37 PolarHBondContact O-N 2.83Å; V34-R37 WeakPolarHBondContact O-CB 3.32Å; V34-R37 PolarHBondContact O-N 3.3Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 2.58Å; R37-T39 HydrophobicContact CB-CG2 3.83Å; R37-T39 PolarHBondContact O-N 3.37Å; R37-V270 HydrophobicContact CB-CG1 4.42Å; R37-V270 HydrophobicContact CG-CG1 4.03Å
38	N	92.8	Very high	95.6	Very high	149 Å²	149	60.7 Å²	60.7	80%	0.797	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	49.2	-176.7	-74.4	-22.8	0	0	0	111.7	N35 K36	N35-N38 PolarHBondContact O-N 3.42Å; K36-N38 VanDerWaalsContact C-N 3.27Å; K36-N38 PolarHBondContact O-N 2.91Å
39	T	96.7	Very high	95	Very high	41 Å²	41	63.1 Å²	63.1	25%	0.252	31%	0.306	S	S	.	.			trans	-76.1	-175.9	172.3	66	0	0	0	0	110.1	R37 W41 V270	R37-T39 HydrophobicContact CB-CG2 3.83Å; R37-T39 PolarHBondContact O-N 3.37Å; T39-W41 PolarHBondContact O-N 3.14Å; T39-W41 PolarHBondContact OG1-NE1 2.69Å; T39-W41 PolarHBondContact OG1-O 3.2Å; T39-V270 HydrophobicContact CG2-CG2 3.51Å
40	T	98.4	Very high	94.6	Very high	40 Å²	40	58.3 Å²	58.3	25%	0.245	28%	0.284	C	S	.	.	S	Bend	trans	-78.4	8.1	-179.1	49.8	0	0	0	0	114	G265 V266 Q268 T291	T40-G265 CarbonylContact O-C 3.58Å; T40-G265 WeakPolarHBondContact O-CA 3.47Å; T40-V266 CarbonylContact C-O 3.59Å; T40-V266 WeakPolarHBondContact CB-O 3.43Å; T40-V266 PolarHBondContact O-N 3.32Å; T40-V266 PolarHBondContact OG1-O 2.86Å; T40-Q268 VanDerWaalsContact CG2-NE2 3.34Å; T40-Q268 PolarHBondContact OG1-NE2 3.3Å; T40-T291 HydrophobicContact CG2-CG2 3.96Å; T40-T291 VanDerWaalsContact CG2-OG1 3.25Å; T40-T291 WeakPolarHBondContact CG2-OG1 3.47Å
41	W	98.7	Very high	94.1	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.7	-177.2	65.7	-78.6	0	0	0	111.8	V34 T39 A43 D258 Y262 S264 Y267 Q268 V270	V34-W41 HydrophobicContact CB-CH2 4.42Å; V34-W41 HydrophobicContact CB-CZ2 4.45Å; V34-W41 HydrophobicContact CG1-CD2 4.21Å; V34-W41 HydrophobicContact CG1-CE3 4.35Å; V34-W41 HydrophobicContact CG1-CH2 3.6Å; V34-W41 HydrophobicContact CG1-CZ2 3.42Å; V34-W41 VanDerWaalsContact CG1-CZ2 3.42Å; V34-W41 HydrophobicContact CG1-CZ3 4.06Å; V34-W41 HydrophobicContact CG2-CH2 4.16Å; V34-W41 HydrophobicContact CG2-CZ2 4.18Å; T39-W41 PolarHBondContact O-N 3.14Å; T39-W41 PolarHBondContact OG1-NE1 2.69Å; T39-W41 PolarHBondContact OG1-O 3.2Å; W41-A43 HydrophobicContact CE3-CB 4.37Å; W41-A43 HydrophobicContact CH2-CB 4.15Å; W41-A43 HydrophobicContact CZ3-CB 3.68Å; W41-D258 HydrophobicContact CH2-CB 4.12Å; W41-D258 VanDerWaalsContact CH2-O 3.24Å; W41-D258 WeakPolarHBondContact CH2-O 3.39Å; W41-D258 HydrophobicContact CZ2-CB 4.29Å; W41-Y262 HydrophobicContact CB-CE2 4.42Å; W41-Y262 HydrophobicContact CE3-CD2 4.13Å; W41-S264 VanDerWaalsContact CA-O 3.25Å; W41-S264 WeakPolarHBondContact CA-O 3.09Å; W41-S264 WeakPolarHBondContact CB-O 2.99Å; W41-Y267 HydrophobicContact CD2-CD2 4.02Å; W41-Y267 AromaticContact CE2-CD2 3.7Å; W41-Y267 HydrophobicContact CE3-CD2 4.39Å; W41-Y267 HydrophobicContact CH2-CD2 4.19Å; W41-Y267 HydrophobicContact CH2-CE2 4.15Å; W41-Y267 AromaticContact CZ2-CD2 3.78Å; W41-Y267 HydrophobicContact CZ2-CD2 3.78Å; W41-Y267 AromaticContact CZ2-CE2 3.74Å; W41-Y267 HydrophobicContact CZ2-CE2 3.74Å; W41-Y267 HydrophobicContact CZ3-CD2 4.47Å; W41-Q268 PolarHBondContact NE1-O 2.87Å; W41-V270 HydrophobicContact CZ2-CG2 4.37Å
42	Q	98.3	Very high	93.7	Very high	97 Å²	97	64.1 Å²	64.1	45%	0.453	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.9	176.3	-63.6	79.5	22.7	0	0	110.5	K263 S264	Q42-K263 PolarHBondContact O-N 2.72Å; Q42-K263 VanDerWaalsContact O-N 3.1Å; Q42-S264 PolarHBondContact N-O 3Å; Q42-S264 PolarHBondContact OE1-O 3.09Å; Q42-S264 PolarHBondContact OE1-OG 2.79Å
43	A	97.9	Very high	93.4	Very high	9 Å²	9	62.5 Å²	62.5	7%	0.074	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147.8	176.6	0	0	0	0	0	111.8	V31 V34 N35 W41 L261	V31-A43 HydrophobicContact CG1-CB 4.28Å; V34-A43 HydrophobicContact CB-CB 3.89Å; V34-A43 HydrophobicContact CG1-CB 3.8Å; N35-A43 PolarHBondContact ND2-O 3.25Å; N35-A43 PolarHBondContact OD1-N 2.84Å; W41-A43 HydrophobicContact CE3-CB 4.37Å; W41-A43 HydrophobicContact CH2-CB 4.15Å; W41-A43 HydrophobicContact CZ3-CB 3.68Å; A43-L261 CarbonylContact C-O 3.53Å; A43-L261 VanDerWaalsContact CA-O 3.24Å; A43-L261 WeakPolarHBondContact CA-O 3.41Å; A43-L261 HydrophobicContact CB-CB 4.1Å
44	G	96.9	Very high	93.2	Very high	14 Å²	14	59.6 Å²	59.6	14%	0.144	30%	0.298	C	S	.	.			trans	-166.9	162.8	169.7	0	0	0	0	0	110.7	N46 L261 K263	G44-N46 PolarHBondContact O-N 3.29Å; G44-L261 PolarHBondContact N-O 3.33Å; G44-L261 CarbonylContact O-C 3.49Å; G44-L261 VanDerWaalsContact O-CA 3.29Å; G44-L261 WeakPolarHBondContact O-CA 3.22Å; G44-K263 WeakPolarHBondContact O-CE 3.47Å
45	H	95.1	Very high	93.1	Very high	31 Å²	31	59.6 Å²	59.6	14%	0.144	30%	0.298	C	S	.	.			trans	-68.8	124.7	-176.7	-67.4	-62	0	0	0	112.4	L26 D28 Y48 K263	L26-H45 PolarHBondContact O-CE1 2.84Å; D28-H45 IonicContact OD1-CD2 3.94Å; D28-H45 IonicContact OD1-CE1 2.67Å; D28-H45 IonicContact OD1-NE2 3.08Å; D28-H45 PolarHBondContact OD1-NE2 3.45Å; H45-Y48 HydrophobicContact CB-CD1 4.46Å; H45-Y48 HydrophobicContact CB-CE1 3.68Å; H45-Y48 HydrophobicContact CB-CE2 3.82Å; H45-Y48 WeakPolarHBondContact CB-OH 3.41Å; H45-Y48 PolarHBondContact O-OH 3.33Å; H45-K263 WeakPolarHBondContact O-CE 3.44Å; H45-K263 PolarHBondContact O-NZ 2.98Å
46	N	94.2	Very high	92.9	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.			trans	-104.8	-17.7	167.5	-65.4	-63.2	0	0	0	113	G44 H189 H190 L260 Y262 K263 W304 G305	G44-N46 PolarHBondContact O-N 3.29Å; N46-H189 CarbonylContact O-C 3.53Å; N46-H189 PolarHBondContact O-ND1 3.04Å; N46-H190 WeakPolarHBondContact O-CA 3.24Å; N46-L260 PolarHBondContact ND2-O 2.98Å; N46-Y262 PolarHBondContact ND2-O 3.26Å; N46-K263 VanDerWaalsContact OD1-CE 3.28Å; N46-K263 WeakPolarHBondContact OD1-CE 3.25Å; N46-K263 PolarHBondContact OD1-NZ 3.2Å; N46-W304 VanDerWaalsContact CB-CD1 3.43Å; N46-W304 HydrophobicContact CB-CG 4.32Å; N46-G305 PolarHBondContact OD1-N 3.13Å
47	F	92.4	Very high	92.8	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.013	28%	0.277	C	S	.	.			trans	-125.4	123.1	-173.7	-61.6	-83.6	0	0	0	109.2	L26 V50 Y54 L55 L58 H189 L260 W300 W304	L26-F47 HydrophobicContact CD1-CB 3.8Å; L26-F47 HydrophobicContact CD2-CB 3.92Å; L26-F47 HydrophobicContact CD2-CD2 4.38Å; F47-V50 HydrophobicContact CB-CG2 3.75Å; F47-V50 HydrophobicContact CD1-CG1 4.46Å; F47-V50 HydrophobicContact CD1-CG2 4.34Å; F47-V50 HydrophobicContact CG-CG2 4.4Å; F47-Y54 HydrophobicContact CD1-CE1 4.07Å; F47-Y54 AromaticContact CE1-CE1 3.99Å; F47-Y54 HydrophobicContact CE1-CE1 3.99Å; F47-L55 HydrophobicContact CB-CD2 4.22Å; F47-L55 HydrophobicContact CD1-CD2 3.72Å; F47-L55 HydrophobicContact CD2-CD2 4.06Å; F47-L55 HydrophobicContact CE1-CD2 4.1Å; F47-L55 HydrophobicContact CE2-CD2 4.37Å; F47-L55 HydrophobicContact CG-CD2 3.74Å; F47-L55 HydrophobicContact CZ-CD2 4.4Å; F47-L58 HydrophobicContact CE1-CD1 3.68Å; F47-L58 HydrophobicContact CZ-CD1 3.84Å; F47-H189 CarbonylContact C-O 3.38Å; F47-H189 WeakPolarHBondContact CA-O 3.39Å; F47-H189 HydrophobicContact CD1-CB 3.64Å; F47-H189 AromaticContact CD1-CG 3.81Å; F47-H189 AromaticContact CD1-ND1 3.87Å; F47-H189 HydrophobicContact CE1-CB 4.18Å; F47-H189 AromaticContact CE1-CG 3.87Å; F47-H189 AromaticContact CE1-ND1 3.78Å; F47-L260 HydrophobicContact CD2-CB 4.08Å; F47-L260 HydrophobicContact CE2-CB 3.96Å; F47-L260 HydrophobicContact CE2-CD2 4.13Å; F47-L260 WeakPolarHBondContact CE2-O 3.32Å; F47-W300 HydrophobicContact CE2-CE3 4.4Å; F47-W300 HydrophobicContact CE2-CZ3 4.48Å; F47-W300 HydrophobicContact CZ-CD2 4.44Å; F47-W300 AromaticContact CZ-CE3 3.82Å; F47-W300 HydrophobicContact CZ-CE3 3.82Å; F47-W300 HydrophobicContact CZ-CZ3 4.25Å; F47-W304 AromaticContact CE2-CD1 3.56Å; F47-W304 AromaticContact CE2-NE1 3.66Å; F47-W304 AromaticContact CZ-CD1 3.63Å
48	Y	88.6	Confident	92.9	Very high	109 Å²	109	48.2 Å²	48.2	43%	0.427	25%	0.249	S	C	.	.			trans	-130	134.9	179.7	-59	-99.4	0	0	0	108.1	H45 V50 H189 H190	H45-Y48 HydrophobicContact CB-CD1 4.46Å; H45-Y48 HydrophobicContact CB-CE1 3.68Å; H45-Y48 HydrophobicContact CB-CE2 3.82Å; H45-Y48 WeakPolarHBondContact CB-OH 3.41Å; H45-Y48 PolarHBondContact O-OH 3.33Å; Y48-V50 PolarHBondContact O-N 3.32Å; Y48-V50 VanDerWaalsContact O-N 3.16Å; Y48-H189 PolarHBondContact N-O 2.69Å; Y48-H190 WeakPolarHBondContact CD2-O 3.21Å; Y48-H190 WeakPolarHBondContact CE2-O 3.18Å
49	N	82.2	Confident	93.1	Very high	160 Å²	160	41.7 Å²	41.7	86%	0.856	22%	0.215	S	C	*	.	S	Bend	trans	55.9	28.4	178	-55	-31.3	0	0	0	115
50	V	85.7	Confident	93.2	Very high	22 Å²	22	40 Å²	40	13%	0.133	21%	0.206	C	C	.	.			trans	-98.8	150.3	176	-54.8	0	0	0	0	111.6	L26 F47 Y48 Y54 L55 H189 C198	L26-V50 HydrophobicContact CD1-CG2 3.78Å; F47-V50 HydrophobicContact CB-CG2 3.75Å; F47-V50 HydrophobicContact CD1-CG1 4.46Å; F47-V50 HydrophobicContact CD1-CG2 4.34Å; F47-V50 HydrophobicContact CG-CG2 4.4Å; Y48-V50 PolarHBondContact O-N 3.32Å; Y48-V50 VanDerWaalsContact O-N 3.16Å; V50-Y54 HydrophobicContact CB-CD1 3.84Å; V50-Y54 HydrophobicContact CB-CE1 4.45Å; V50-Y54 HydrophobicContact CG1-CD1 4.09Å; V50-Y54 HydrophobicContact CG1-CE1 4.22Å; V50-Y54 HydrophobicContact CG2-CD1 4.21Å; V50-L55 HydrophobicContact CG2-CD1 4.23Å; V50-L55 HydrophobicContact CG2-CD2 3.77Å; V50-L55 HydrophobicContact CG2-CG 3.95Å; V50-H189 HydrophobicContact CG1-CB 3.63Å; V50-C198 HydrophobicContact CB-CB 4.47Å; V50-C198 HydrophobicContact CG1-CB 3.95Å
51	D	84	Confident	93.2	Very high	88 Å²	88	38.4 Å²	38.4	47%	0.471	20%	0.196	S	C	.	.			trans	-78.3	150.5	175.6	-169.4	-96.6	0	0	0	112.2	S53 Y54 L55	D51-S53 PolarHBondContact O-N 2.86Å; D51-S53 WeakPolarHBondContact OD1-CA 3.43Å; D51-S53 WeakPolarHBondContact OD1-CB 3.31Å; D51-S53 PolarHBondContact OD1-N 3.37Å; D51-S53 PolarHBondContact OD1-OG 2.76Å; D51-Y54 WeakPolarHBondContact O-CB 3.25Å; D51-Y54 PolarHBondContact O-N 3.49Å; D51-Y54 VanDerWaalsContact O-N 3.08Å; D51-L55 PolarHBondContact O-N 2.98Å
52	M	87.7	Confident	93.2	Very high	48 Å²	48	42.1 Å²	42.1	24%	0.236	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-32	177.1	-166.3	57.5	57.2	0	0	112.5	P25 Y54 L55 K56 M275	P25-M52 HydrophobicContact CB-CE 3.86Å; P25-M52 HydrophobicContact CB-SD 4.32Å; P25-M52 HydrophobicContact CG-CE 3.55Å; P25-M52 HydrophobicContact CG-SD 3.96Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 2.86Å; M52-L55 HydrophobicContact CE-CD1 4.12Å; M52-L55 PolarHBondContact O-N 2.92Å; M52-L55 HydrophobicContact SD-CB 4.42Å; M52-L55 HydrophobicContact SD-CD1 3.87Å; M52-K56 PolarHBondContact O-N 3.18Å; M52-M275 HydrophobicContact SD-CE 3.66Å
53	S	89.6	Confident	93.1	Very high	51 Å²	51	40.7 Å²	40.7	36%	0.357	21%	0.208	S	C	.	.	H	α-helix	trans	-62.3	-35.8	174	64.8	0	0	0	0	111.9	D51 R57 G200	D51-S53 PolarHBondContact O-N 2.86Å; D51-S53 WeakPolarHBondContact OD1-CA 3.43Å; D51-S53 WeakPolarHBondContact OD1-CB 3.31Å; D51-S53 PolarHBondContact OD1-N 3.37Å; D51-S53 PolarHBondContact OD1-OG 2.76Å; S53-R57 VanDerWaalsContact O-CB 3.23Å; S53-R57 WeakPolarHBondContact O-CB 3.28Å; S53-R57 PolarHBondContact O-N 2.98Å; S53-G200 WeakPolarHBondContact OG-CA 3.44Å
54	Y	92.2	Very high	92.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-49.6	173.5	170.5	-107.9	0	0	0	111	F47 V50 D51 M52 K56 R57 L58 S104 C187 H189 C198 T199	F47-Y54 HydrophobicContact CD1-CE1 4.07Å; F47-Y54 AromaticContact CE1-CE1 3.99Å; F47-Y54 HydrophobicContact CE1-CE1 3.99Å; V50-Y54 HydrophobicContact CB-CD1 3.84Å; V50-Y54 HydrophobicContact CB-CE1 4.45Å; V50-Y54 HydrophobicContact CG1-CD1 4.09Å; V50-Y54 HydrophobicContact CG1-CE1 4.22Å; V50-Y54 HydrophobicContact CG2-CD1 4.21Å; D51-Y54 WeakPolarHBondContact O-CB 3.25Å; D51-Y54 PolarHBondContact O-N 3.49Å; D51-Y54 VanDerWaalsContact O-N 3.08Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 2.86Å; Y54-K56 VanDerWaalsContact C-N 3.29Å; Y54-K56 PolarHBondContact O-N 2.8Å; Y54-R57 CarbonylContact O-C 3.58Å; Y54-R57 WeakPolarHBondContact O-CA 3.37Å; Y54-R57 WeakPolarHBondContact O-CB 3.49Å; Y54-R57 PolarHBondContact O-N 3.46Å; Y54-L58 HydrophobicContact CD1-CD1 4.34Å; Y54-L58 HydrophobicContact CE1-CD1 3.71Å; Y54-L58 HydrophobicContact CE1-CD2 4.47Å; Y54-L58 HydrophobicContact CE1-CG 4.14Å; Y54-L58 HydrophobicContact CE2-CD2 3.83Å; Y54-L58 HydrophobicContact CE2-CG 4.1Å; Y54-L58 PolarHBondContact O-N 2.95Å; Y54-S104 WeakPolarHBondContact CD2-OG 3.33Å; Y54-C187 WeakPolarHBondContact CE2-SG 3.47Å; Y54-C187 PolarHBondContact OH-SG 2.78Å; Y54-H189 HydrophobicContact CE1-CB 4.42Å; Y54-H189 PolarHBondContact OH-CD2 3.49Å; Y54-C198 HydrophobicContact CD1-CB 3.73Å; Y54-C198 HydrophobicContact CD2-CB 3.8Å; Y54-C198 HydrophobicContact CE1-CB 3.71Å; Y54-C198 HydrophobicContact CE2-CB 3.8Å; Y54-C198 HydrophobicContact CG-CB 3.76Å; Y54-C198 VanDerWaalsContact CZ-SG 3.55Å; Y54-T199 WeakPolarHBondContact CD2-O 3.44Å
55	L	94	Very high	92.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-38.7	179.6	-61.4	174.7	0	0	0	112.5	L26 F47 V50 D51 M52 L260 M275	L26-L55 HydrophobicContact CD1-CD1 3.83Å; L26-L55 HydrophobicContact CD2-CD1 4.26Å; L26-L55 HydrophobicContact CG-CD1 4Å; F47-L55 HydrophobicContact CB-CD2 4.22Å; F47-L55 HydrophobicContact CD1-CD2 3.72Å; F47-L55 HydrophobicContact CD2-CD2 4.06Å; F47-L55 HydrophobicContact CE1-CD2 4.1Å; F47-L55 HydrophobicContact CE2-CD2 4.37Å; F47-L55 HydrophobicContact CG-CD2 3.74Å; F47-L55 HydrophobicContact CZ-CD2 4.4Å; V50-L55 HydrophobicContact CG2-CD1 4.23Å; V50-L55 HydrophobicContact CG2-CD2 3.77Å; V50-L55 HydrophobicContact CG2-CG 3.95Å; D51-L55 PolarHBondContact O-N 2.98Å; M52-L55 HydrophobicContact CE-CD1 4.12Å; M52-L55 PolarHBondContact O-N 2.92Å; M52-L55 HydrophobicContact SD-CB 4.42Å; M52-L55 HydrophobicContact SD-CD1 3.87Å; L55-L260 HydrophobicContact CB-CD1 4.27Å; L55-L260 HydrophobicContact CD1-CD1 4.04Å; L55-L260 HydrophobicContact CD2-CD1 4.19Å; L55-L260 HydrophobicContact CG-CD1 4.4Å; L55-M275 HydrophobicContact CB-CE 3.96Å
56	K	93.8	Very high	92.7	Very high	108 Å²	108	45 Å²	45	47%	0.47	25%	0.25	S	C	.	.	H	α-helix	trans	-68.9	-40.4	173.7	-72.2	-174.1	176.5	-174.9	0	111.9	M52 Y54 L58 C59 M275	M52-K56 PolarHBondContact O-N 3.18Å; Y54-K56 VanDerWaalsContact C-N 3.29Å; Y54-K56 PolarHBondContact O-N 2.8Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.17Å; K56-C59 WeakPolarHBondContact O-CB 2.94Å; K56-C59 PolarHBondContact O-N 3Å; K56-M275 HydrophobicContact CG-CE 3.83Å
57	R	95.1	Very high	92.6	Very high	38 Å²	38	51.9 Å²	51.9	14%	0.143	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-29.8	178.3	-169.7	165	-167.5	83.4	2.4	112.5	S53 Y54 C59 S104 G106 C150 N151 G200 G202	S53-R57 VanDerWaalsContact O-CB 3.23Å; S53-R57 WeakPolarHBondContact O-CB 3.28Å; S53-R57 PolarHBondContact O-N 2.98Å; Y54-R57 CarbonylContact O-C 3.58Å; Y54-R57 WeakPolarHBondContact O-CA 3.37Å; Y54-R57 WeakPolarHBondContact O-CB 3.49Å; Y54-R57 PolarHBondContact O-N 3.46Å; R57-C59 PolarHBondContact O-N 3.34Å; R57-S104 WeakPolarHBondContact CD-O 3.24Å; R57-S104 PolarHBondContact NE-O 2.94Å; R57-G106 WeakPolarHBondContact O-CA 3.38Å; R57-G106 PolarHBondContact O-N 2.77Å; R57-C150 VanDerWaalsContact CZ-O 3.26Å; R57-C150 PolarHBondContact NH2-O 2.98Å; R57-N151 PolarHBondContact NH1-OD1 3.48Å; R57-N151 PolarHBondContact NH2-OD1 2.96Å; R57-G200 WeakPolarHBondContact CD-O 3.33Å; R57-G202 PolarHBondContact NH2-O 3.21Å
58	L	96.2	Very high	92.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-33	171.2	-72.1	-177.8	0	0	0	112.4	F47 Y54 K56 G60 Q102 H278 W300	F47-L58 HydrophobicContact CE1-CD1 3.68Å; F47-L58 HydrophobicContact CZ-CD1 3.84Å; Y54-L58 HydrophobicContact CD1-CD1 4.34Å; Y54-L58 HydrophobicContact CE1-CD1 3.71Å; Y54-L58 HydrophobicContact CE1-CD2 4.47Å; Y54-L58 HydrophobicContact CE1-CG 4.14Å; Y54-L58 HydrophobicContact CE2-CD2 3.83Å; Y54-L58 HydrophobicContact CE2-CG 4.1Å; Y54-L58 PolarHBondContact O-N 2.95Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.17Å; L58-G60 VanDerWaalsContact C-N 3.32Å; L58-G60 PolarHBondContact O-N 2.77Å; L58-G60 VanDerWaalsContact O-N 3.13Å; L58-Q102 HydrophobicContact CD2-CG 3.99Å; L58-Q102 PolarHBondContact O-NE2 2.79Å; L58-H278 PolarHBondContact O-ND1 3.1Å; L58-W300 HydrophobicContact CB-CZ2 3.95Å; L58-W300 HydrophobicContact CD1-CD2 4.06Å; L58-W300 HydrophobicContact CD1-CG 4.28Å; L58-W300 HydrophobicContact CD1-CZ2 4.47Å; L58-W300 HydrophobicContact CD2-CG 4.44Å
59	C	97.6	Very high	92.9	Very high	13 Å²	13	51.9 Å²	51.9	9%	0.088	29%	0.294	C	S	.	.			trans	-87.2	64.8	178.8	-53.7	0	0	0	0	111.4	K56 R57 T61 G277	K56-C59 WeakPolarHBondContact O-CB 2.94Å; K56-C59 PolarHBondContact O-N 3Å; R57-C59 PolarHBondContact O-N 3.34Å; C59-T61 PolarHBondContact O-N 2.95Å; C59-G277 CarbonylContact C-O 3.56Å; C59-G277 WeakPolarHBondContact CA-O 2.99Å; C59-G277 VanDerWaalsContact O-O 3.05Å
60	G	98	Very high	93.4	Very high	6 Å²	6	50.4 Å²	50.4	6%	0.062	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-87.7	25.6	-172.5	0	0	0	0	0	116.3	L58 C108 G152 G153 G277	L58-G60 VanDerWaalsContact C-N 3.32Å; L58-G60 PolarHBondContact O-N 2.77Å; L58-G60 VanDerWaalsContact O-N 3.13Å; G60-C108 VanDerWaalsContact CA-SG 3.5Å; G60-C108 PolarHBondContact N-SG 3.03Å; G60-G152 CarbonylContact O-C 3.46Å; G60-G152 WeakPolarHBondContact O-CA 3.03Å; G60-G153 PolarHBondContact O-N 2.03Å; G60-G277 PolarHBondContact N-O 2.84Å
61	T	98.7	Very high	93.6	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.037	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-113.5	129.9	-178.7	-65.8	0	0	0	0	111.8	C59 L63 C108 P155 A252 G277 A279	C59-T61 PolarHBondContact O-N 2.95Å; T61-L63 HydrophobicContact CG2-CD2 4.16Å; T61-L63 PolarHBondContact O-N 3.42Å; T61-C108 PolarHBondContact OG1-SG 3.32Å; T61-P155 HydrophobicContact CG2-CG 3.7Å; T61-A252 HydrophobicContact CG2-CB 3.99Å; T61-G277 PolarHBondContact N-O 3.42Å; T61-G277 CarbonylContact O-C 3.6Å; T61-G277 WeakPolarHBondContact O-CA 3.07Å; T61-A279 HydrophobicContact CG2-CB 4.24Å; T61-A279 WeakPolarHBondContact OG1-CB 3.34Å; T61-A279 PolarHBondContact OG1-N 3.19Å
62	F	98.4	Very high	93.6	Very high	82 Å²	82	53.8 Å²	53.8	36%	0.36	30%	0.297	S	S	.	.			trans	-85.6	103.7	170.2	-57.9	-44.1	0	0	0	110.2	N151 G152 G153 Y154	F62-N151 WeakPolarHBondContact CZ-O 2.99Å; F62-G152 VanDerWaalsContact CE2-C 3.46Å; F62-G152 WeakPolarHBondContact CE2-O 2.95Å; F62-G153 PolarHBondContact N-O 3.15Å; F62-Y154 HydrophobicContact CB-CD1 3.74Å; F62-Y154 HydrophobicContact CB-CE1 3.35Å; F62-Y154 HydrophobicContact CD2-CD1 4.32Å; F62-Y154 AromaticContact CD2-CE1 3.84Å; F62-Y154 HydrophobicContact CD2-CE1 3.84Å; F62-Y154 HydrophobicContact CD2-CE2 4.06Å; F62-Y154 AromaticContact CD2-CZ 3.68Å; F62-Y154 HydrophobicContact CG-CE1 4.04Å
63	L	96.9	Very high	93.3	Very high	66 Å²	66	52.8 Å²	52.8	35%	0.346	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	150.5	174.6	-57.1	179.5	0	0	0	111.2	T61 G65 A252 S254 E324	T61-L63 HydrophobicContact CG2-CD2 4.16Å; T61-L63 PolarHBondContact O-N 3.42Å; L63-G65 VanDerWaalsContact C-N 3.33Å; L63-A252 HydrophobicContact CD2-CB 3.6Å; L63-S254 WeakPolarHBondContact CD1-OG 3.43Å; L63-E324 VanDerWaalsContact CA-OE1 3.3Å; L63-E324 WeakPolarHBondContact CA-OE1 3.28Å; L63-E324 WeakPolarHBondContact CB-OE1 3.17Å
64	G	94.8	Very high	92.8	Very high	61 Å²	61	58.5 Å²	58.5	63%	0.629	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	21.3	178.8	0	0	0	0	0	114.4	E324	G64-E324 PolarHBondContact N-OE1 2.75Å
65	G	92.7	Very high	92.2	Very high	21 Å²	21	59.4 Å²	59.4	22%	0.216	32%	0.316	C	S	.	.			trans	-70.4	-165.7	177.2	0	0	0	0	0	114.7	L63	L63-G65 VanDerWaalsContact C-N 3.33Å
66	P	94.4	Very high	91.4	Very high	62 Å²	62	67.9 Å²	67.9	40%	0.403	36%	0.356	S	S	.	.			trans	-51.8	143.1	172.6	-23.6	33.7	0	0	0	111.3	A156 E157	P66-A156 HydrophobicContact CB-CB 4.43Å; P66-A156 WeakPolarHBondContact O-CB 3.43Å; P66-E157 HydrophobicContact CB-CG 4.35Å; P66-E157 HydrophobicContact CG-CG 4.04Å
67	K	92.7	Very high	90.8	Very high	146 Å²	146	70.2 Å²	70.2	64%	0.635	37%	0.373	S	S	*	.			trans	-115.1	121.1	175	-64.3	-167	179.4	-163	0	109.7
68	P	92.9	Very high	90.5	Very high	12 Å²	12	70.6 Å²	70.6	8%	0.078	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-61.5	162.3	170.8	-21.7	34.1	0	0	0	110.7	Q70 A156 S231 V326	P68-Q70 PolarHBondContact O-N 3.02Å; P68-A156 HydrophobicContact CG-CB 3.8Å; P68-S231 WeakPolarHBondContact CD-OG 3.45Å; P68-S231 PolarHBondContact O-OG 2.81Å; P68-V326 HydrophobicContact CG-CG1 4.22Å
69	P	94.4	Very high	90.4	Very high	100 Å²	100	80.2 Å²	80.2	65%	0.649	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-50.6	139.5	175.3	-24.7	34.2	0	0	0	111.4	Y230 S231	P69-Y230 CarbonylContact O-C 3.45Å; P69-Y230 WeakPolarHBondContact O-CA 3.14Å; P69-Y230 WeakPolarHBondContact O-CB 3.37Å; P69-S231 PolarHBondContact O-N 2.89Å
70	Q	91.9	Very high	90.3	Very high	129 Å²	129	81.3 Å²	81.3	60%	0.603	43%	0.425	S	S	*	.	B	Isolated β-bridge	trans	-74.6	131.1	179.2	-166.7	178.2	-63.7	0	0	110.4	P68 V72 S231	P68-Q70 PolarHBondContact O-N 3.02Å; Q70-V72 PolarHBondContact O-N 3.47Å; Q70-S231 CarbonylContact C-O 3.49Å; Q70-S231 WeakPolarHBondContact CA-O 3.3Å
71	R	90.5	Very high	90.3	Very high	73 Å²	73	83.2 Å²	83.2	28%	0.275	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-75.3	122.7	171.6	-174.2	172.9	-169.9	-178.6	11.4	109.3	M73 Y230 S231 E242 N246	R71-M73 HydrophobicContact CG-SD 4.32Å; R71-M73 PolarHBondContact O-N 3.03Å; R71-Y230 HydrophobicContact CB-CD2 3.48Å; R71-Y230 VanDerWaalsContact CB-CD2 3.48Å; R71-Y230 HydrophobicContact CB-CE2 4.08Å; R71-Y230 HydrophobicContact CB-CG 3.81Å; R71-Y230 HydrophobicContact CG-CD2 4.2Å; R71-Y230 HydrophobicContact CG-CE2 4.36Å; R71-Y230 HydrophobicContact CG-CG 4.49Å; R71-Y230 PolarHBondContact NH1-OH 3.46Å; R71-S231 PolarHBondContact N-O 2.91Å; R71-E242 IonicContact CZ-OE2 3.07Å; R71-E242 IonicContact NE-OE2 3.58Å; R71-E242 IonicContact NH1-OE1 3.97Å; R71-E242 PolarHBondContact NH1-OE1 2.85Å; R71-E242 IonicContact NH1-OE2 3.37Å; R71-E242 PolarHBondContact NH1-OE2 3.05Å; R71-N246 PolarHBondContact NH1-ND2 3.25Å
72	V	82.9	Confident	90.2	Very high	108 Å²	108	86.8 Å²	86.8	66%	0.655	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-70.9	118.6	171	-178.8	0	0	0	0	108.3	Q70 F74	Q70-V72 PolarHBondContact O-N 3.47Å; V72-F74 HydrophobicContact CG1-CE2 4.38Å; V72-F74 HydrophobicContact CG1-CZ 4.18Å
73	M	81.6	Confident	90.2	Very high	26 Å²	26	86 Å²	86	13%	0.128	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-102.2	123.4	-179.8	-73	-66.2	-77.8	0	0	110.3	R71 T75 D238 A241 E242	R71-M73 HydrophobicContact CG-SD 4.32Å; R71-M73 PolarHBondContact O-N 3.03Å; M73-T75 HydrophobicContact CB-CG2 3.99Å; M73-T75 PolarHBondContact O-N 2.86Å; M73-D238 HydrophobicContact CB-CB 4.15Å; M73-D238 HydrophobicContact CG-CB 4.2Å; M73-A241 VanDerWaalsContact CE-C 3.44Å; M73-A241 HydrophobicContact CE-CB 3.43Å; M73-A241 VanDerWaalsContact CE-CB 3.43Å; M73-E242 HydrophobicContact CE-CB 3.96Å
74	F	79.4	Confident	90.3	Very high	172 Å²	172	83.7 Å²	83.7	75%	0.754	46%	0.458	S	S	*	.			trans	-90.8	99.6	171	-60	-81.4	0	0	0	108.7	V72 K245	V72-F74 HydrophobicContact CG1-CE2 4.38Å; V72-F74 HydrophobicContact CG1-CZ 4.18Å; F74-K245 PolarHBondContact O-NZ 3.43Å; F74-K245 VanDerWaalsContact O-NZ 3.15Å
75	T	79.9	Confident	90.5	Very high	18 Å²	18	81.8 Å²	81.8	11%	0.11	43%	0.434	C	S	.	.			trans	-117.4	-2.1	-174.4	60.4	0	0	0	0	114.6	M73 D77 L78 K237 D238 A241	M73-T75 HydrophobicContact CB-CG2 3.99Å; M73-T75 PolarHBondContact O-N 2.86Å; T75-D77 PolarHBondContact O-N 3.14Å; T75-L78 PolarHBondContact O-N 3.39Å; T75-K237 WeakPolarHBondContact O-CE 3.42Å; T75-K237 PolarHBondContact O-NZ 2.71Å; T75-D238 WeakPolarHBondContact CG2-OD1 3.5Å; T75-D238 PolarHBondContact OG1-OD1 2.98Å; T75-A241 HydrophobicContact CG2-CB 3.51Å
76	E	76.5	Confident	90.8	Very high	178 Å²	178	80.8 Å²	80.8	83%	0.832	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-46.6	-175.6	-70.1	-172.2	162.3	0	0	112.6
77	D	81.5	Confident	91	Very high	157 Å²	157	80.9 Å²	80.9	84%	0.84	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.9	-177.7	-61.2	-44.3	0	0	0	114.7	T75 K79	T75-D77 PolarHBondContact O-N 3.14Å; D77-K79 PolarHBondContact O-N 2.92Å
78	L	88.6	Confident	91.3	Very high	46 Å²	46	81.3 Å²	81.3	24%	0.241	42%	0.42	C	S	.	.			trans	-80.3	107.8	-173.7	-158.7	82.2	0	0	0	110.7	T75 L80 A241 K245	T75-L78 PolarHBondContact O-N 3.39Å; L78-L80 HydrophobicContact CD2-CD1 4.24Å; L78-L80 HydrophobicContact CD2-CD2 3.53Å; L78-L80 HydrophobicContact CD2-CG 3.8Å; L78-L80 HydrophobicContact CG-CD2 4.23Å; L78-L80 HydrophobicContact CG-CG 4.28Å; L78-L80 PolarHBondContact O-N 2.83Å; L78-A241 HydrophobicContact CD2-CB 3.58Å; L78-K245 VanDerWaalsContact CD1-CE 3.49Å
79	K	93.6	Very high	91.6	Very high	202 Å²	202	85.3 Å²	85.3	88%	0.878	44%	0.438	S	S	*	.			trans	-80.5	93.6	171.3	-66.5	-176.3	-177.2	178.4	0	110.2	D77	D77-K79 PolarHBondContact O-N 2.92Å
80	L	96	Very high	91.8	Very high	37 Å²	37	82 Å²	82	19%	0.194	41%	0.412	C	S	.	.			trans	-79.7	144.2	176.4	-69.3	167.1	0	0	0	111.4	L78 K237 M240 A241 Y244 W285	L78-L80 HydrophobicContact CD2-CD1 4.24Å; L78-L80 HydrophobicContact CD2-CD2 3.53Å; L78-L80 HydrophobicContact CD2-CG 3.8Å; L78-L80 HydrophobicContact CG-CD2 4.23Å; L78-L80 HydrophobicContact CG-CG 4.28Å; L78-L80 PolarHBondContact O-N 2.83Å; L80-K237 HydrophobicContact CD1-CG 4.33Å; L80-M240 HydrophobicContact CB-CE 4.2Å; L80-M240 HydrophobicContact CD1-CB 3.64Å; L80-M240 HydrophobicContact CD1-CE 4.27Å; L80-A241 HydrophobicContact CD1-CB 4.25Å; L80-Y244 HydrophobicContact CD2-CD1 3.98Å; L80-Y244 HydrophobicContact CD2-CD2 4.08Å; L80-Y244 HydrophobicContact CD2-CG 3.6Å; L80-W285 HydrophobicContact CD2-CH2 4.44Å; L80-W285 HydrophobicContact CD2-CZ2 4.37Å
81	P	97.7	Very high	92.1	Very high	46 Å²	46	79.4 Å²	79.4	30%	0.299	41%	0.407	S	S	.	.			trans	-68.9	154.2	175.7	31.5	-37.6	0	0	0	111.4	S83 F84 Y244 W285	P81-S83 WeakPolarHBondContact CB-O 3.29Å; P81-S83 WeakPolarHBondContact CG-O 3.44Å; P81-S83 PolarHBondContact O-N 2.91Å; P81-F84 HydrophobicContact CG-CB 4.15Å; P81-F84 HydrophobicContact CG-CD2 4.25Å; P81-Y244 HydrophobicContact CG-CD2 4.35Å; P81-Y244 HydrophobicContact CG-CE2 4.12Å; P81-W285 HydrophobicContact CG-CZ2 3.98Å; P81-W285 PolarHBondContact O-NE1 3.43Å
82	A	97.3	Very high	92.5	Very high	80 Å²	80	80.6 Å²	80.6	66%	0.661	42%	0.415	S	S	*	.	S	Bend	trans	-65.7	-23.8	177.2	0	0	0	0	0	113.1
83	S	98.7	Very high	93.2	Very high	67 Å²	67	75.5 Å²	75.5	47%	0.469	38%	0.384	S	S	.	.	S	Bend	trans	-143.8	147.7	173.8	-58.5	0	0	0	0	109.3	P81 W285 G286	P81-S83 WeakPolarHBondContact CB-O 3.29Å; P81-S83 WeakPolarHBondContact CG-O 3.44Å; P81-S83 PolarHBondContact O-N 2.91Å; S83-W285 CarbonylContact C-O 3.51Å; S83-W285 VanDerWaalsContact CA-O 3.28Å; S83-W285 WeakPolarHBondContact CA-O 3.2Å; S83-G286 VanDerWaalsContact OG-CA 3.31Å; S83-G286 WeakPolarHBondContact OG-CA 3.32Å
84	F	98.9	Very high	94	Very high	16 Å²	16	77.9 Å²	77.9	7%	0.07	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	137.8	-176.7	179.7	-91.8	0	0	0	109.5	P81 A86 Q89 W90 I243 Y244 G284 W285	P81-F84 HydrophobicContact CG-CB 4.15Å; P81-F84 HydrophobicContact CG-CD2 4.25Å; F84-A86 HydrophobicContact CE1-CB 4.1Å; F84-Q89 HydrophobicContact CE2-CB 3.74Å; F84-Q89 HydrophobicContact CE2-CG 3.75Å; F84-Q89 HydrophobicContact CZ-CB 3.68Å; F84-Q89 HydrophobicContact CZ-CG 3.79Å; F84-W90 HydrophobicContact CE1-CH2 4.38Å; F84-W90 AromaticContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CZ-CE3 4.48Å; F84-W90 AromaticContact CZ-CH2 3.68Å; F84-W90 HydrophobicContact CZ-CH2 3.68Å; F84-W90 AromaticContact CZ-CZ3 3.56Å; F84-W90 HydrophobicContact CZ-CZ3 3.56Å; F84-I243 HydrophobicContact CD1-CG2 4.08Å; F84-I243 HydrophobicContact CE1-CG2 3.73Å; F84-Y244 AromaticContact CD2-CD2 3.71Å; F84-Y244 HydrophobicContact CD2-CD2 3.71Å; F84-Y244 HydrophobicContact CD2-CE2 4.1Å; F84-Y244 AromaticContact CE2-CD2 3.6Å; F84-Y244 HydrophobicContact CE2-CD2 3.6Å; F84-Y244 HydrophobicContact CE2-CE2 4.01Å; F84-Y244 HydrophobicContact CZ-CD2 4.41Å; F84-G284 CarbonylContact O-C 3.52Å; F84-G284 WeakPolarHBondContact O-CA 2.95Å; F84-W285 HydrophobicContact CB-CD2 3.71Å; F84-W285 HydrophobicContact CB-CE3 3.86Å; F84-W285 HydrophobicContact CB-CG 4.48Å; F84-W285 HydrophobicContact CB-CH2 3.42Å; F84-W285 VanDerWaalsContact CB-CH2 3.42Å; F84-W285 HydrophobicContact CB-CZ2 3.29Å; F84-W285 HydrophobicContact CB-CZ3 3.71Å; F84-W285 HydrophobicContact CD1-CE3 4.06Å; F84-W285 AromaticContact CD1-CH2 3.69Å; F84-W285 HydrophobicContact CD1-CH2 3.69Å; F84-W285 HydrophobicContact CD1-CZ2 4.46Å; F84-W285 AromaticContact CD1-CZ3 3.46Å; F84-W285 HydrophobicContact CD1-CZ3 3.46Å; F84-W285 VanDerWaalsContact CD1-CZ3 3.46Å; F84-W285 HydrophobicContact CD2-CH2 4.07Å; F84-W285 HydrophobicContact CD2-CZ2 4.42Å; F84-W285 HydrophobicContact CE1-CH2 4.48Å; F84-W285 HydrophobicContact CE1-CZ3 4.26Å; F84-W285 HydrophobicContact CG-CE3 4.28Å; F84-W285 AromaticContact CG-CH2 3.45Å; F84-W285 HydrophobicContact CG-CH2 3.45Å; F84-W285 VanDerWaalsContact CG-CH2 3.45Å; F84-W285 AromaticContact CG-CZ2 3.84Å; F84-W285 HydrophobicContact CG-CZ2 3.84Å; F84-W285 AromaticContact CG-CZ3 3.7Å; F84-W285 HydrophobicContact CG-CZ3 3.7Å; F84-W285 PolarHBondContact N-O 3.37Å; F84-W285 PolarHBondContact O-N 3.31Å
85	D	98.9	Very high	94.9	Very high	22 Å²	22	70.1 Å²	70.1	12%	0.118	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	117.6	172.8	-170.4	-32.4	0	0	0	108.7	R87 E88 Q89 L295	D85-R87 PolarHBondContact O-N 2.56Å; D85-R87 VanDerWaalsContact O-N 3.14Å; D85-R87 WeakPolarHBondContact OD1-CB 3.21Å; D85-R87 VanDerWaalsContact OD1-CG 3.31Å; D85-R87 WeakPolarHBondContact OD1-CG 3.46Å; D85-R87 IonicContact OD1-CZ 3.74Å; D85-R87 PolarHBondContact OD1-N 2.74Å; D85-R87 IonicContact OD1-NE 3.56Å; D85-R87 PolarHBondContact OD1-NE 3.21Å; D85-R87 IonicContact OD1-NH2 3.64Å; D85-R87 IonicContact OD2-CZ 2.89Å; D85-R87 VanDerWaalsContact OD2-CZ 3.27Å; D85-R87 IonicContact OD2-NE 2.83Å; D85-R87 PolarHBondContact OD2-NE 3.07Å; D85-R87 VanDerWaalsContact OD2-NE 3.08Å; D85-R87 IonicContact OD2-NH2 3.31Å; D85-R87 PolarHBondContact OD2-NH2 2.87Å; D85-E88 HydrophobicContact CB-CB 4.32Å; D85-E88 HydrophobicContact CB-CG 4.04Å; D85-E88 PolarHBondContact O-N 3.22Å; D85-Q89 PolarHBondContact O-N 2.83Å; D85-L295 HydrophobicContact CB-CD2 4.34Å; D85-L295 WeakPolarHBondContact OD2-CD2 3.18Å
86	A	98.9	Very high	95.8	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58	-27.4	179.3	0	0	0	0	0	112.8	F84 E88 Q89 W90 I96 P248 L283	F84-A86 HydrophobicContact CE1-CB 4.1Å; A86-E88 VanDerWaalsContact C-N 3.29Å; A86-E88 PolarHBondContact O-N 3.29Å; A86-Q89 PolarHBondContact O-N 2.84Å; A86-W90 HydrophobicContact CB-CE3 3.74Å; A86-W90 HydrophobicContact CB-CZ3 3.65Å; A86-W90 PolarHBondContact O-N 3.33Å; A86-I96 HydrophobicContact CB-CD1 4.48Å; A86-I96 HydrophobicContact CB-CG2 3.7Å; A86-P248 HydrophobicContact CB-CG 3.89Å; A86-L283 HydrophobicContact CB-CB 4.15Å; A86-L283 WeakPolarHBondContact CB-O 3.4Å; A86-L283 PolarHBondContact N-O 2.89Å
87	R	98.8	Very high	96.9	Very high	64 Å²	64	65.9 Å²	65.9	24%	0.242	35%	0.346	C	S	.	.	H	α-helix	trans	-69.3	-30.1	178.6	-57.2	170.7	-64.2	179.2	6.6	111.8	D85 P91 I96 K97 L283 F309	D85-R87 PolarHBondContact O-N 2.56Å; D85-R87 VanDerWaalsContact O-N 3.14Å; D85-R87 WeakPolarHBondContact OD1-CB 3.21Å; D85-R87 VanDerWaalsContact OD1-CG 3.31Å; D85-R87 WeakPolarHBondContact OD1-CG 3.46Å; D85-R87 IonicContact OD1-CZ 3.74Å; D85-R87 PolarHBondContact OD1-N 2.74Å; D85-R87 IonicContact OD1-NE 3.56Å; D85-R87 PolarHBondContact OD1-NE 3.21Å; D85-R87 IonicContact OD1-NH2 3.64Å; D85-R87 IonicContact OD2-CZ 2.89Å; D85-R87 VanDerWaalsContact OD2-CZ 3.27Å; D85-R87 IonicContact OD2-NE 2.83Å; D85-R87 PolarHBondContact OD2-NE 3.07Å; D85-R87 VanDerWaalsContact OD2-NE 3.08Å; D85-R87 IonicContact OD2-NH2 3.31Å; D85-R87 PolarHBondContact OD2-NH2 2.87Å; R87-P91 WeakPolarHBondContact O-CA 3.31Å; R87-I96 HydrophobicContact CB-CG2 4.44Å; R87-I96 HydrophobicContact CG-CB 4.28Å; R87-I96 HydrophobicContact CG-CG2 3.61Å; R87-K97 HydrophobicContact CB-CG 4.01Å; R87-K97 HydrophobicContact CG-CG 3.82Å; R87-L283 HydrophobicContact CG-CD1 3.82Å; R87-F309 VanDerWaalsContact NH1-CZ 3.33Å
88	E	98.7	Very high	97.7	Very high	155 Å²	155	60.2 Å²	60.2	72%	0.724	32%	0.315	S	S	*	.	H	α-helix	trans	-84.6	-35.5	175.5	-63.4	-175.8	-176.4	0	0	111.6	D85 A86 P91	D85-E88 HydrophobicContact CB-CB 4.32Å; D85-E88 HydrophobicContact CB-CG 4.04Å; D85-E88 PolarHBondContact O-N 3.22Å; A86-E88 VanDerWaalsContact C-N 3.29Å; A86-E88 PolarHBondContact O-N 3.29Å; E88-P91 WeakPolarHBondContact O-CD 3.24Å
89	Q	98.6	Very high	98.2	Very high	96 Å²	96	58.8 Å²	58.8	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-70.5	-39	179.3	-178.6	62.5	34.7	0	0	112.7	F84 D85 A86 P91	F84-Q89 HydrophobicContact CE2-CB 3.74Å; F84-Q89 HydrophobicContact CE2-CG 3.75Å; F84-Q89 HydrophobicContact CZ-CB 3.68Å; F84-Q89 HydrophobicContact CZ-CG 3.79Å; D85-Q89 PolarHBondContact O-N 2.83Å; A86-Q89 PolarHBondContact O-N 2.84Å; Q89-P91 VanDerWaalsContact C-CD 3.42Å; Q89-P91 WeakPolarHBondContact O-CD 3.37Å
90	W	98.7	Very high	98.4	Very high	29 Å²	29	49.4 Å²	49.4	11%	0.11	27%	0.266	C	S	.	.			trans	-124.1	65.2	-179.5	-59.2	-76.7	0	0	0	111	F84 A86 Q92 C93 I96 I123 I243	F84-W90 HydrophobicContact CE1-CH2 4.38Å; F84-W90 AromaticContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CZ-CE3 4.48Å; F84-W90 AromaticContact CZ-CH2 3.68Å; F84-W90 HydrophobicContact CZ-CH2 3.68Å; F84-W90 AromaticContact CZ-CZ3 3.56Å; F84-W90 HydrophobicContact CZ-CZ3 3.56Å; A86-W90 HydrophobicContact CB-CE3 3.74Å; A86-W90 HydrophobicContact CB-CZ3 3.65Å; A86-W90 PolarHBondContact O-N 3.33Å; W90-Q92 PolarHBondContact O-N 2.99Å; W90-Q92 VanDerWaalsContact O-N 3.1Å; W90-C93 HydrophobicContact CB-CB 4.26Å; W90-C93 PolarHBondContact O-N 3.15Å; W90-I96 HydrophobicContact CB-CD1 3.67Å; W90-I96 HydrophobicContact CE3-CD1 4.16Å; W90-I96 HydrophobicContact CG-CD1 4.45Å; W90-I123 HydrophobicContact CB-CG1 4.25Å; W90-I123 HydrophobicContact CD2-CD1 3.62Å; W90-I123 HydrophobicContact CD2-CG1 3.77Å; W90-I123 HydrophobicContact CD2-CG2 4.43Å; W90-I123 HydrophobicContact CE3-CD1 3.58Å; W90-I123 HydrophobicContact CE3-CG1 4.24Å; W90-I123 HydrophobicContact CG-CD1 4.13Å; W90-I123 HydrophobicContact CG-CG1 3.76Å; W90-I123 HydrophobicContact CH2-CD1 4.32Å; W90-I123 HydrophobicContact CZ2-CD1 4.35Å; W90-I123 HydrophobicContact CZ2-CG2 4.12Å; W90-I123 HydrophobicContact CZ3-CD1 3.95Å; W90-I243 WeakPolarHBondContact CH2-O 3.21Å
91	P	98.4	Very high	98.5	Very high	76 Å²	76	48.3 Å²	48.3	49%	0.494	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.3	-174.6	26.6	-36.5	0	0	0	113.6	R87 E88 Q89 C93 K97	R87-P91 WeakPolarHBondContact O-CA 3.31Å; E88-P91 WeakPolarHBondContact O-CD 3.24Å; Q89-P91 VanDerWaalsContact C-CD 3.42Å; Q89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-C93 VanDerWaalsContact C-N 3.28Å; P91-K97 PolarHBondContact O-NZ 3.22Å
92	Q	98.4	Very high	98.5	Very high	97 Å²	97	46.1 Å²	46.1	45%	0.453	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.7	177.2	70.9	-84	24.6	0	0	114.3	W90 P94 A127	W90-Q92 PolarHBondContact O-N 2.99Å; W90-Q92 VanDerWaalsContact O-N 3.1Å; Q92-P94 VanDerWaalsContact O-CD 3.23Å; Q92-P94 WeakPolarHBondContact O-CD 3.27Å; Q92-A127 HydrophobicContact CB-CB 4.14Å; Q92-A127 HydrophobicContact CG-CB 3.26Å
93	C	98.7	Very high	98.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	21%	0.214	C	C	.	.			trans	-103	93.8	176.4	-68.6	0	0	0	0	110.4	W90 P91 T95 I96 C122	W90-C93 HydrophobicContact CB-CB 4.26Å; W90-C93 PolarHBondContact O-N 3.15Å; P91-C93 VanDerWaalsContact C-N 3.28Å; C93-T95 VanDerWaalsContact C-N 3.3Å; C93-T95 PolarHBondContact O-N 2.64Å; C93-I96 HydrophobicContact CB-CD1 3.63Å; C93-I96 HydrophobicContact CB-CG1 3.92Å; C93-I96 PolarHBondContact O-N 2.73Å; C93-C122 WeakPolarHBondContact CA-SG 3.28Å; C93-C122 HydrophobicContact CB-CB 3.73Å; C93-C122 WeakPolarHBondContact CB-SG 3.42Å; C93-C122 VanDerWaalsContact SG-C 3.53Å; C93-C122 WeakPolarHBondContact SG-CB 3.24Å; C93-C122 CovalentContact SG-SG 2.04Å; C93-C122 PolarHBondContact SG-SG 2.97Å
94	P	98.3	Very high	98.2	Very high	77 Å²	77	39.8 Å²	39.8	50%	0.5	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-65	-31	-172.3	25.6	-35.4	0	0	0	113.5	Q92 I96 K97 S130	Q92-P94 VanDerWaalsContact O-CD 3.23Å; Q92-P94 WeakPolarHBondContact O-CD 3.27Å; P94-I96 PolarHBondContact O-N 3.48Å; P94-I96 VanDerWaalsContact O-N 3.1Å; P94-K97 PolarHBondContact O-N 2.72Å; P94-K97 VanDerWaalsContact O-N 3.07Å; P94-S130 WeakPolarHBondContact CD-OG 3.36Å
95	T	98.6	Very high	98.1	Very high	9 Å²	9	39 Å²	39	6%	0.055	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57.5	-27.2	-179.3	59.3	0	0	0	0	112.7	C93 K97 E98 D119 E132	C93-T95 VanDerWaalsContact C-N 3.3Å; C93-T95 PolarHBondContact O-N 2.64Å; T95-K97 PolarHBondContact O-N 2.96Å; T95-E98 WeakPolarHBondContact O-CB 3.31Å; T95-E98 PolarHBondContact O-N 3.18Å; T95-E98 VanDerWaalsContact O-N 3.08Å; T95-D119 VanDerWaalsContact CB-OD1 3.24Å; T95-D119 WeakPolarHBondContact CB-OD1 3.28Å; T95-D119 WeakPolarHBondContact OG1-CA 3.3Å; T95-D119 PolarHBondContact OG1-OD1 3.16Å; T95-E132 HydrophobicContact CG2-CG 4.34Å
96	I	98.8	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.7	-32.4	-178.3	-52.3	176.7	0	0	0	110.8	A86 R87 W90 C93 P94 D119 I123 P248 R281 L283	A86-I96 HydrophobicContact CB-CD1 4.48Å; A86-I96 HydrophobicContact CB-CG2 3.7Å; R87-I96 HydrophobicContact CB-CG2 4.44Å; R87-I96 HydrophobicContact CG-CB 4.28Å; R87-I96 HydrophobicContact CG-CG2 3.61Å; W90-I96 HydrophobicContact CB-CD1 3.67Å; W90-I96 HydrophobicContact CE3-CD1 4.16Å; W90-I96 HydrophobicContact CG-CD1 4.45Å; C93-I96 HydrophobicContact CB-CD1 3.63Å; C93-I96 HydrophobicContact CB-CG1 3.92Å; C93-I96 PolarHBondContact O-N 2.73Å; P94-I96 PolarHBondContact O-N 3.48Å; P94-I96 VanDerWaalsContact O-N 3.1Å; I96-D119 VanDerWaalsContact CA-OD1 3.25Å; I96-D119 WeakPolarHBondContact CA-OD1 3.31Å; I96-D119 HydrophobicContact CG1-CB 3.96Å; I96-D119 WeakPolarHBondContact CG1-OD1 3.24Å; I96-D119 PolarHBondContact N-OD1 3.16Å; I96-I123 HydrophobicContact CD1-CD1 4.09Å; I96-I123 HydrophobicContact CD1-CG1 4.39Å; I96-P248 HydrophobicContact CG2-CG 4.22Å; I96-R281 PolarHBondContact O-NH1 2.97Å; I96-R281 PolarHBondContact O-NH2 2.93Å; I96-R281 VanDerWaalsContact O-NH2 3.16Å; I96-L283 HydrophobicContact CG2-CD1 4.19Å
97	K	98.7	Very high	98	Very high	106 Å²	106	38 Å²	38	46%	0.461	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-84.2	-17.6	179.3	-64.5	168.4	-177.2	146.5	0	112.9	R87 P91 P94 T95	R87-K97 HydrophobicContact CB-CG 4.01Å; R87-K97 HydrophobicContact CG-CG 3.82Å; P91-K97 PolarHBondContact O-NZ 3.22Å; P94-K97 PolarHBondContact O-N 2.72Å; P94-K97 VanDerWaalsContact O-N 3.07Å; T95-K97 PolarHBondContact O-N 2.96Å
98	E	98.7	Very high	98	Very high	39 Å²	39	35 Å²	35	18%	0.182	18%	0.177	C	C	.	.			trans	-66	135.5	-177.5	-178	174.2	-116.8	0	0	110.7	T95 R100 R281	T95-E98 WeakPolarHBondContact O-CB 3.31Å; T95-E98 PolarHBondContact O-N 3.18Å; T95-E98 VanDerWaalsContact O-N 3.08Å; E98-R100 HydrophobicContact CG-CG 4.05Å; E98-R100 IonicContact OE2-CZ 2.79Å; E98-R100 VanDerWaalsContact OE2-CZ 3.31Å; E98-R100 IonicContact OE2-NE 2.7Å; E98-R100 PolarHBondContact OE2-NE 3.47Å; E98-R100 IonicContact OE2-NH2 3.77Å; E98-R100 PolarHBondContact OE2-NH2 3.28Å; E98-R281 PolarHBondContact O-NH2 3.45Å
99	I	98.6	Very high	98	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.077	14%	0.143	C	C	.	.			trans	-112.9	133	165.8	-68.5	-62.3	0	0	0	106.7	A297 T302 F309	I99-A297 HydrophobicContact CD1-CB 3.63Å; I99-T302 HydrophobicContact CB-CG2 3.71Å; I99-T302 HydrophobicContact CG1-CG2 4.28Å; I99-T302 HydrophobicContact CG2-CG2 3.91Å; I99-F309 HydrophobicContact CD1-CD1 4.11Å; I99-F309 HydrophobicContact CD1-CD2 4.11Å; I99-F309 HydrophobicContact CD1-CE1 3.79Å; I99-F309 HydrophobicContact CD1-CE2 3.77Å; I99-F309 HydrophobicContact CD1-CG 4.26Å; I99-F309 HydrophobicContact CD1-CZ 3.59Å; I99-F309 HydrophobicContact CG1-CD2 4.19Å; I99-F309 HydrophobicContact CG1-CE1 4.46Å; I99-F309 HydrophobicContact CG1-CE2 3.61Å; I99-F309 HydrophobicContact CG1-CZ 3.76Å
100	R	98.3	Very high	98	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.023	12%	0.122	C	C	.	.			trans	-108.2	175.1	179.3	-53.6	-170.1	170.2	-164.2	-8	111.4	E98 F111 E115 E132 V133 L172 S299 N301	E98-R100 HydrophobicContact CG-CG 4.05Å; E98-R100 IonicContact OE2-CZ 2.79Å; E98-R100 VanDerWaalsContact OE2-CZ 3.31Å; E98-R100 IonicContact OE2-NE 2.7Å; E98-R100 PolarHBondContact OE2-NE 3.47Å; E98-R100 IonicContact OE2-NH2 3.77Å; E98-R100 PolarHBondContact OE2-NH2 3.28Å; R100-F111 HydrophobicContact CB-CD1 3.69Å; R100-F111 HydrophobicContact CB-CE1 3.6Å; R100-E115 HydrophobicContact CG-CG 4.24Å; R100-E132 VanDerWaalsContact NH2-CB 3.27Å; R100-E132 IonicContact NH2-OE2 3.22Å; R100-V133 PolarHBondContact NH1-O 3.5Å; R100-L172 HydrophobicContact CB-CD2 3.91Å; R100-L172 HydrophobicContact CG-CD2 3.85Å; R100-S299 CarbonylContact O-C 3.43Å; R100-S299 VanDerWaalsContact O-C 3.25Å; R100-S299 WeakPolarHBondContact O-CA 3.19Å; R100-N301 PolarHBondContact O-N 2.98Å; R100-N301 VanDerWaalsContact O-N 3.11Å
101	D	97.4	Very high	98	Very high	13 Å²	13	21.9 Å²	21.9	7%	0.07	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-131.7	120.5	178.6	-168.7	-17.3	0	0	0	109.6	G103 F111 P186 S299 N301	D101-G103 VanDerWaalsContact C-N 3.26Å; D101-G103 WeakPolarHBondContact OD1-CA 3.18Å; D101-G103 PolarHBondContact OD1-N 2.75Å; D101-F111 WeakPolarHBondContact O-CE1 3.24Å; D101-F111 WeakPolarHBondContact O-CZ 3.11Å; D101-P186 HydrophobicContact CB-CB 4.16Å; D101-P186 WeakPolarHBondContact OD2-CA 3.2Å; D101-P186 WeakPolarHBondContact OD2-CB 3.31Å; D101-S299 WeakPolarHBondContact CA-O 3.26Å; D101-N301 HydrophobicContact CB-CB 4.09Å; D101-N301 WeakPolarHBondContact OD2-CB 3.42Å; D101-N301 PolarHBondContact OD2-ND2 3.22Å
102	Q	97.6	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.			trans	-79.2	-7.7	176.9	72	-174.3	80	0	0	113.4	L58 C105 F111 Y182 H278 S299 W300	L58-Q102 HydrophobicContact CD2-CG 3.99Å; L58-Q102 PolarHBondContact O-NE2 2.79Å; Q102-C105 WeakPolarHBondContact CG-O 3.11Å; Q102-C105 PolarHBondContact NE2-O 3.46Å; Q102-C105 WeakPolarHBondContact O-CB 3.5Å; Q102-C105 PolarHBondContact O-N 3.41Å; Q102-F111 HydrophobicContact CB-CD2 4.06Å; Q102-F111 HydrophobicContact CB-CE1 4.36Å; Q102-F111 HydrophobicContact CB-CE2 3.85Å; Q102-F111 HydrophobicContact CB-CG 4.42Å; Q102-F111 HydrophobicContact CB-CZ 4.02Å; Q102-Y182 PolarHBondContact O-OH 3.15Å; Q102-H278 PolarHBondContact OE1-CE1 3.2Å; Q102-S299 WeakPolarHBondContact CG-O 3.2Å; Q102-S299 PolarHBondContact N-O 3.23Å; Q102-S299 PolarHBondContact OE1-OG 3.32Å; Q102-W300 VanDerWaalsContact OE1-CD1 3.28Å; Q102-W300 VanDerWaalsContact OE1-NE1 3.11Å
103	G	95.2	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-150	-174.6	0	0	0	0	0	112.7	D101 C105	D101-G103 VanDerWaalsContact C-N 3.26Å; D101-G103 WeakPolarHBondContact OD1-CA 3.18Å; D101-G103 PolarHBondContact OD1-N 2.75Å; G103-C105 PolarHBondContact O-N 3.11Å
104	S	94.5	Very high	98.1	Very high	15 Å²	15	13.7 Å²	13.7	11%	0.105	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	39.8	176.4	-72.8	0	0	0	0	113.9	Y54 R57 T199	Y54-S104 WeakPolarHBondContact CD2-OG 3.33Å; R57-S104 WeakPolarHBondContact CD-O 3.24Å; R57-S104 PolarHBondContact NE-O 2.94Å; S104-T199 WeakPolarHBondContact CB-O 3.27Å; S104-T199 PolarHBondContact OG-N 2.92Å; S104-T199 PolarHBondContact OG-O 2.64Å
105	C	97	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	-134.6	130.3	-176.4	172.8	0	0	0	0	110.2	Q102 G103 S107 C150 I184	Q102-C105 WeakPolarHBondContact CG-O 3.11Å; Q102-C105 PolarHBondContact NE2-O 3.46Å; Q102-C105 WeakPolarHBondContact O-CB 3.5Å; Q102-C105 PolarHBondContact O-N 3.41Å; G103-C105 PolarHBondContact O-N 3.11Å; C105-S107 PolarHBondContact O-N 3.01Å; C105-S107 WeakPolarHBondContact SG-CB 3.48Å; C105-S107 PolarHBondContact SG-OG 3.37Å; C105-C150 HydrophobicContact CB-CB 3.83Å; C105-C150 WeakPolarHBondContact CB-SG 3.45Å; C105-C150 WeakPolarHBondContact SG-CA 3.21Å; C105-C150 WeakPolarHBondContact SG-CB 3.26Å; C105-C150 CovalentContact SG-SG 2.03Å; C105-C150 PolarHBondContact SG-SG 3.15Å; C105-I184 HydrophobicContact CB-CD1 3.53Å; C105-I184 HydrophobicContact CB-CG2 4.45Å
106	G	97.7	Very high	98.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.01	5%	0.047	C	C	.	.			trans	-74.9	54.9	174.8	0	0	0	0	0	112.8	R57 W109 C150	R57-G106 WeakPolarHBondContact O-CA 3.38Å; R57-G106 PolarHBondContact O-N 2.77Å; G106-W109 VanDerWaalsContact O-CD1 3.25Å; G106-W109 PolarHBondContact O-NE1 3.2Å; G106-C150 VanDerWaalsContact CA-O 3.24Å; G106-C150 WeakPolarHBondContact CA-O 3.15Å; G106-C150 PolarHBondContact N-O 3.05Å
107	S	98.6	Very high	98.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.			trans	-101.7	11.7	-177.2	57.4	0	0	0	0	113.4	C105 W109 A110 F111 Y182	C105-S107 PolarHBondContact O-N 3.01Å; C105-S107 WeakPolarHBondContact SG-CB 3.48Å; C105-S107 PolarHBondContact SG-OG 3.37Å; S107-W109 PolarHBondContact O-N 3.05Å; S107-W109 VanDerWaalsContact O-N 3.09Å; S107-A110 WeakPolarHBondContact O-CA 3.4Å; S107-A110 WeakPolarHBondContact O-CB 3.25Å; S107-A110 PolarHBondContact O-N 3.28Å; S107-F111 WeakPolarHBondContact O-CD2 3.01Å; S107-F111 PolarHBondContact O-N 3.3Å; S107-F111 WeakPolarHBondContact OG-CD2 3.49Å; S107-F111 WeakPolarHBondContact OG-CE2 3.17Å; S107-Y182 PolarHBondContact OG-OH 3.47Å
108	C	98.7	Very high	98.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-50.1	-36.5	178.1	55.2	0	0	0	0	113.9	G60 T61 A110 F111 G112 H278	G60-C108 VanDerWaalsContact CA-SG 3.5Å; G60-C108 PolarHBondContact N-SG 3.03Å; T61-C108 PolarHBondContact OG1-SG 3.32Å; C108-A110 PolarHBondContact O-N 2.98Å; C108-F111 PolarHBondContact O-N 2.86Å; C108-F111 VanDerWaalsContact O-N 3.13Å; C108-G112 PolarHBondContact O-N 3.15Å; C108-H278 WeakPolarHBondContact CB-CE1 3.47Å; C108-H278 VanDerWaalsContact CB-ND1 3.31Å; C108-H278 WeakPolarHBondContact CB-ND1 2.92Å; C108-H278 PolarHBondContact SG-ND1 2.03Å; C108-H278 VanDerWaalsContact SG-ND1 3.43Å
109	W	98.8	Very high	98.2	Very high	2 Å²	2	3 Å²	3	1%	0.008	2%	0.017	C	C	.	.	H	α-helix	trans	-61.8	-23.2	174.3	65.9	-90.5	0	0	0	114	G106 S107 L138 L139 C146 G149 P155 A158 E250	G106-W109 VanDerWaalsContact O-CD1 3.25Å; G106-W109 PolarHBondContact O-NE1 3.2Å; S107-W109 PolarHBondContact O-N 3.05Å; S107-W109 VanDerWaalsContact O-N 3.09Å; W109-L138 HydrophobicContact CH2-CG 4.41Å; W109-L138 HydrophobicContact CZ3-CD1 4.29Å; W109-L138 HydrophobicContact CZ3-CD2 4.29Å; W109-L138 HydrophobicContact CZ3-CG 3.99Å; W109-L139 HydrophobicContact CZ2-CD1 4.05Å; W109-C146 HydrophobicContact CE3-CB 4.06Å; W109-C146 HydrophobicContact CH2-CB 3.4Å; W109-C146 VanDerWaalsContact CH2-CB 3.4Å; W109-C146 HydrophobicContact CZ2-CB 4.28Å; W109-C146 HydrophobicContact CZ3-CB 3.28Å; W109-G149 PolarHBondContact NE1-O 3.03Å; W109-P155 HydrophobicContact CB-CG 4.16Å; W109-A158 HydrophobicContact CE3-CB 4.11Å; W109-A158 HydrophobicContact CZ3-CB 4.18Å; W109-E250 VanDerWaalsContact O-OE1 3.05Å
110	A	98.9	Very high	98.2	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-91.1	-36	173.1	0	0	0	0	0	110.9	S107 C108 V114 L138	S107-A110 WeakPolarHBondContact O-CA 3.4Å; S107-A110 WeakPolarHBondContact O-CB 3.25Å; S107-A110 PolarHBondContact O-N 3.28Å; C108-A110 PolarHBondContact O-N 2.98Å; A110-V114 WeakPolarHBondContact O-CG1 3.46Å; A110-V114 WeakPolarHBondContact O-CG2 3.38Å; A110-V114 PolarHBondContact O-N 3.09Å; A110-L138 HydrophobicContact CB-CB 4.41Å; A110-L138 HydrophobicContact CB-CD2 3.64Å; A110-L138 HydrophobicContact CB-CG 3.96Å
111	F	98.9	Very high	98.2	Very high	3 Å²	3	2 Å²	2	1%	0.013	1%	0.012	C	C	.	.	H	α-helix	trans	-65.7	-53.6	179.8	-85.5	-109.8	0	0	0	112.2	R100 D101 Q102 S107 C108 A113 V114 E115 A135 Y182	R100-F111 HydrophobicContact CB-CD1 3.69Å; R100-F111 HydrophobicContact CB-CE1 3.6Å; D101-F111 WeakPolarHBondContact O-CE1 3.24Å; D101-F111 WeakPolarHBondContact O-CZ 3.11Å; Q102-F111 HydrophobicContact CB-CD2 4.06Å; Q102-F111 HydrophobicContact CB-CE1 4.36Å; Q102-F111 HydrophobicContact CB-CE2 3.85Å; Q102-F111 HydrophobicContact CB-CG 4.42Å; Q102-F111 HydrophobicContact CB-CZ 4.02Å; S107-F111 WeakPolarHBondContact O-CD2 3.01Å; S107-F111 PolarHBondContact O-N 3.3Å; S107-F111 WeakPolarHBondContact OG-CD2 3.49Å; S107-F111 WeakPolarHBondContact OG-CE2 3.17Å; C108-F111 PolarHBondContact O-N 2.86Å; C108-F111 VanDerWaalsContact O-N 3.13Å; F111-A113 PolarHBondContact O-N 2.93Å; F111-V114 PolarHBondContact O-N 2.96Å; F111-E115 WeakPolarHBondContact O-CB 3.29Å; F111-E115 WeakPolarHBondContact O-CG 3.43Å; F111-E115 PolarHBondContact O-N 3.18Å; F111-A135 HydrophobicContact CD2-CB 4.02Å; F111-A135 HydrophobicContact CE2-CB 3.74Å; F111-A135 HydrophobicContact CZ-CB 4Å; F111-Y182 HydrophobicContact CE2-CD2 4.28Å; F111-Y182 HydrophobicContact CE2-CE1 4.08Å; F111-Y182 AromaticContact CE2-CE2 3.61Å; F111-Y182 HydrophobicContact CE2-CE2 3.61Å; F111-Y182 AromaticContact CE2-CZ 3.5Å; F111-Y182 VanDerWaalsContact CE2-CZ 3.5Å; F111-Y182 AromaticContact CZ-CD1 3.97Å; F111-Y182 HydrophobicContact CZ-CD1 3.97Å; F111-Y182 HydrophobicContact CZ-CD2 4.06Å; F111-Y182 AromaticContact CZ-CE1 3.64Å; F111-Y182 HydrophobicContact CZ-CE1 3.64Å; F111-Y182 AromaticContact CZ-CE2 3.76Å; F111-Y182 HydrophobicContact CZ-CE2 3.76Å; F111-Y182 HydrophobicContact CZ-CG 4.17Å; F111-Y182 AromaticContact CZ-CZ 3.55Å
112	G	98.8	Very high	98.2	Very high	2 Å²	2	1.4 Å²	1.4	2%	0.021	1%	0.009	C	C	.	.	H	α-helix	trans	-52.9	-41.9	177.3	0	0	0	0	0	111.8	C108 A116 E250	C108-G112 PolarHBondContact O-N 3.15Å; G112-A116 WeakPolarHBondContact O-CB 3.37Å; G112-A116 PolarHBondContact O-N 2.84Å; G112-E250 VanDerWaalsContact C-CD 3.49Å; G112-E250 WeakPolarHBondContact CA-OE1 3.4Å
113	A	98.9	Very high	98.2	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-62.1	-60	175	0	0	0	0	0	112.3	F111 E115 A116 I117 L138 A158 E250	F111-A113 PolarHBondContact O-N 2.93Å; A113-E115 VanDerWaalsContact C-N 3.32Å; A113-E115 PolarHBondContact O-N 3.32Å; A113-A116 PolarHBondContact O-N 2.95Å; A113-I117 HydrophobicContact CB-CD1 4.48Å; A113-I117 WeakPolarHBondContact O-CB 3.19Å; A113-I117 WeakPolarHBondContact O-CD1 3.16Å; A113-I117 WeakPolarHBondContact O-CG1 3.46Å; A113-I117 PolarHBondContact O-N 2.94Å; A113-L138 HydrophobicContact CB-CD2 4.13Å; A113-A158 HydrophobicContact CB-CB 3.65Å; A113-E250 WeakPolarHBondContact CA-OE2 3.34Å; A113-E250 WeakPolarHBondContact CB-OE2 3.12Å; A113-E250 PolarHBondContact N-OE1 3.38Å; A113-E250 PolarHBondContact N-OE2 3.08Å
114	V	98.9	Very high	98.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-69.3	-30.2	-172.4	-58.7	0	0	0	0	113.2	A110 F111 S118 V133 A135 L138 L167	A110-V114 WeakPolarHBondContact O-CG1 3.46Å; A110-V114 WeakPolarHBondContact O-CG2 3.38Å; A110-V114 PolarHBondContact O-N 3.09Å; F111-V114 PolarHBondContact O-N 2.96Å; V114-S118 WeakPolarHBondContact O-CB 3.25Å; V114-S118 PolarHBondContact O-N 3.5Å; V114-S118 PolarHBondContact O-OG 3.1Å; V114-V133 HydrophobicContact CB-CB 4.05Å; V114-V133 HydrophobicContact CB-CG1 4Å; V114-V133 HydrophobicContact CG1-CG1 3.93Å; V114-A135 HydrophobicContact CG2-CB 3.77Å; V114-L138 HydrophobicContact CG1-CB 4.2Å; V114-L138 HydrophobicContact CG1-CD2 3.79Å; V114-L167 HydrophobicContact CG1-CD1 3.85Å
115	E	98.9	Very high	98.5	Very high	6 Å²	6	4 Å²	4	3%	0.028	2%	0.02	C	C	.	.	H	α-helix	trans	-65.1	-50.4	174	-68.8	173.1	-166.8	0	0	110.4	R100 F111 A113 I117 S118 D119 R281	R100-E115 HydrophobicContact CG-CG 4.24Å; F111-E115 WeakPolarHBondContact O-CB 3.29Å; F111-E115 WeakPolarHBondContact O-CG 3.43Å; F111-E115 PolarHBondContact O-N 3.18Å; A113-E115 VanDerWaalsContact C-N 3.32Å; A113-E115 PolarHBondContact O-N 3.32Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.23Å; E115-S118 WeakPolarHBondContact O-CB 3.1Å; E115-S118 PolarHBondContact O-N 3.13Å; E115-D119 VanDerWaalsContact O-CG 3.26Å; E115-D119 PolarHBondContact O-N 2.84Å; E115-D119 VanDerWaalsContact O-N 3.07Å; E115-R281 IonicContact OE2-NE 3.78Å; E115-R281 PolarHBondContact OE2-NE 2.03Å; E115-R281 VanDerWaalsContact OE2-NE 3.13Å
116	A	98.9	Very high	98.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65	-36.2	177.5	0	0	0	0	0	112	G112 A113 R120 W159 R281	G112-A116 WeakPolarHBondContact O-CB 3.37Å; G112-A116 PolarHBondContact O-N 2.84Å; A113-A116 PolarHBondContact O-N 2.95Å; A116-R120 WeakPolarHBondContact O-CB 3.22Å; A116-R120 WeakPolarHBondContact O-CG 3.28Å; A116-R120 PolarHBondContact O-N 3.33Å; A116-W159 HydrophobicContact CB-CH2 3.98Å; A116-W159 HydrophobicContact CB-CZ2 3.84Å; A116-R281 HydrophobicContact CB-CG 4.34Å
117	I	98.9	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.3	-44.8	174.1	-69.6	164.1	0	0	0	110.6	A113 E115 D119 R120 I121 V133 W159 W162 L167	A113-I117 HydrophobicContact CB-CD1 4.48Å; A113-I117 WeakPolarHBondContact O-CB 3.19Å; A113-I117 WeakPolarHBondContact O-CD1 3.16Å; A113-I117 WeakPolarHBondContact O-CG1 3.46Å; A113-I117 PolarHBondContact O-N 2.94Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.23Å; I117-D119 VanDerWaalsContact C-N 3.33Å; I117-D119 PolarHBondContact O-N 3.35Å; I117-R120 PolarHBondContact O-N 3.07Å; I117-I121 HydrophobicContact CG2-CD1 3.86Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.38Å; I117-V133 HydrophobicContact CG2-CG1 4.47Å; I117-V133 HydrophobicContact CG2-CG2 3.93Å; I117-W159 HydrophobicContact CD1-CE3 4.37Å; I117-W159 HydrophobicContact CD1-CZ3 4.48Å; I117-W159 HydrophobicContact CG1-CE3 4.02Å; I117-W159 HydrophobicContact CG1-CH2 3.84Å; I117-W159 HydrophobicContact CG1-CZ2 4.34Å; I117-W159 HydrophobicContact CG1-CZ3 3.65Å; I117-W162 HydrophobicContact CD1-CB 3.93Å; I117-W162 HydrophobicContact CD1-CD2 3.78Å; I117-W162 HydrophobicContact CD1-CE3 4.11Å; I117-W162 HydrophobicContact CD1-CG 3.73Å; I117-W162 HydrophobicContact CG1-CD2 4.07Å; I117-W162 HydrophobicContact CG1-CE3 4.18Å; I117-W162 HydrophobicContact CG1-CG 4.49Å; I117-W162 HydrophobicContact CG1-CZ2 4.47Å; I117-W162 HydrophobicContact CG1-CZ3 4.42Å; I117-W162 HydrophobicContact CG2-CD2 4.2Å; I117-W162 HydrophobicContact CG2-CH2 4.47Å; I117-W162 HydrophobicContact CG2-CZ2 3.74Å; I117-L167 HydrophobicContact CD1-CD1 4.16Å
118	S	98.9	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57.8	-47.3	178.6	-59.1	0	0	0	0	111	V114 E115 R120 I121 C122 V131 V133	V114-S118 WeakPolarHBondContact O-CB 3.25Å; V114-S118 PolarHBondContact O-N 3.5Å; V114-S118 PolarHBondContact O-OG 3.1Å; E115-S118 WeakPolarHBondContact O-CB 3.1Å; E115-S118 PolarHBondContact O-N 3.13Å; S118-R120 PolarHBondContact O-N 3.16Å; S118-I121 PolarHBondContact O-N 2.9Å; S118-C122 PolarHBondContact O-N 3.09Å; S118-V131 VanDerWaalsContact CB-O 3.26Å; S118-V131 WeakPolarHBondContact CB-O 3.28Å; S118-V131 PolarHBondContact OG-O 3.22Å; S118-V133 WeakPolarHBondContact OG-CB 3.46Å; S118-V133 PolarHBondContact OG-N 3.09Å
119	D	98.9	Very high	98	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-59.3	-48.6	176.4	-64.5	-16.4	0	0	0	111.6	T95 I96 E115 I117 I121 C122 I123 P248 R281	T95-D119 VanDerWaalsContact CB-OD1 3.24Å; T95-D119 WeakPolarHBondContact CB-OD1 3.28Å; T95-D119 WeakPolarHBondContact OG1-CA 3.3Å; T95-D119 PolarHBondContact OG1-OD1 3.16Å; I96-D119 VanDerWaalsContact CA-OD1 3.25Å; I96-D119 WeakPolarHBondContact CA-OD1 3.31Å; I96-D119 HydrophobicContact CG1-CB 3.96Å; I96-D119 WeakPolarHBondContact CG1-OD1 3.24Å; I96-D119 PolarHBondContact N-OD1 3.16Å; E115-D119 VanDerWaalsContact O-CG 3.26Å; E115-D119 PolarHBondContact O-N 2.84Å; E115-D119 VanDerWaalsContact O-N 3.07Å; I117-D119 VanDerWaalsContact C-N 3.33Å; I117-D119 PolarHBondContact O-N 3.35Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 3.23Å; D119-C122 PolarHBondContact O-N 3.22Å; D119-C122 VanDerWaalsContact O-N 3.15Å; D119-I123 VanDerWaalsContact O-CG1 3.29Å; D119-I123 WeakPolarHBondContact O-CG1 3.36Å; D119-I123 PolarHBondContact O-N 3Å; D119-P248 HydrophobicContact CB-CG 4.2Å; D119-P248 WeakPolarHBondContact OD2-CG 3.47Å; D119-R281 WeakPolarHBondContact OD2-CD 3.48Å; D119-R281 IonicContact OD2-CZ 3.72Å; D119-R281 IonicContact OD2-NE 3.2Å; D119-R281 IonicContact OD2-NH1 3.89Å; D119-R281 PolarHBondContact OD2-NH1 2.65Å
120	R	98.8	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.2	-35.5	-178.1	-73.6	179.5	175.1	-116.3	-12.8	112.3	A116 I117 S118 C122 I123 H124 Y230 E242 N246 G247 P248 V249 G328	A116-R120 WeakPolarHBondContact O-CB 3.22Å; A116-R120 WeakPolarHBondContact O-CG 3.28Å; A116-R120 PolarHBondContact O-N 3.33Å; I117-R120 PolarHBondContact O-N 3.07Å; S118-R120 PolarHBondContact O-N 3.16Å; R120-C122 VanDerWaalsContact C-N 3.3Å; R120-C122 PolarHBondContact O-N 3.15Å; R120-I123 PolarHBondContact O-N 3.09Å; R120-H124 VanDerWaalsContact O-CB 3.32Å; R120-H124 WeakPolarHBondContact O-CB 3.33Å; R120-H124 PolarHBondContact O-CD2 3.24Å; R120-H124 PolarHBondContact O-N 3.1Å; R120-Y230 PolarHBondContact NH1-OH 2.97Å; R120-E242 IonicContact CZ-OE1 2.96Å; R120-E242 IonicContact NH1-OE1 3.23Å; R120-E242 PolarHBondContact NH1-OE1 2.69Å; R120-E242 IonicContact NH2-OE1 3.62Å; R120-E242 PolarHBondContact NH2-OE1 3.2Å; R120-N246 WeakPolarHBondContact CG-O 3.32Å; R120-G247 PolarHBondContact NH2-O 2.93Å; R120-P248 PolarHBondContact NE-O 3.37Å; R120-P248 PolarHBondContact NH2-O 2.88Å; R120-V249 VanDerWaalsContact NH2-CG1 3.27Å; R120-G328 WeakPolarHBondContact CD-O 3.44Å; R120-G328 PolarHBondContact NH1-O 3.23Å
121	I	98.3	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-47.5	172.7	-70.7	166.1	0	0	0	109.5	I117 S118 D119 T125 V129 V131 V133 H224 P330 Y335	I117-I121 HydrophobicContact CG2-CD1 3.86Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.38Å; S118-I121 PolarHBondContact O-N 2.9Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 3.23Å; I121-T125 HydrophobicContact CG2-CG2 4.46Å; I121-T125 VanDerWaalsContact O-CB 3.31Å; I121-T125 WeakPolarHBondContact O-CB 3.46Å; I121-T125 WeakPolarHBondContact O-CG2 3.23Å; I121-T125 PolarHBondContact O-N 2.04Å; I121-T125 PolarHBondContact O-OG1 3.02Å; I121-V129 HydrophobicContact CG2-CB 4.35Å; I121-V129 HydrophobicContact CG2-CG1 3.99Å; I121-V131 HydrophobicContact CB-CG1 4.38Å; I121-V131 HydrophobicContact CD1-CG1 3.88Å; I121-V131 HydrophobicContact CG2-CG1 3.87Å; I121-V133 HydrophobicContact CD1-CG2 3.7Å; I121-H224 HydrophobicContact CD1-CB 4.04Å; I121-P330 HydrophobicContact CG1-CB 4.03Å; I121-Y335 HydrophobicContact CG2-CE2 4.09Å; I121-Y335 WeakPolarHBondContact CG2-OH 3.33Å
122	C	98.4	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.8	-47.8	177.9	-177.9	0	0	0	0	113	C93 S118 D119 R120 H124 T125 N126 A127 V129	C93-C122 WeakPolarHBondContact CA-SG 3.28Å; C93-C122 HydrophobicContact CB-CB 3.73Å; C93-C122 WeakPolarHBondContact CB-SG 3.42Å; C93-C122 VanDerWaalsContact SG-C 3.53Å; C93-C122 WeakPolarHBondContact SG-CB 3.24Å; C93-C122 CovalentContact SG-SG 2.04Å; C93-C122 PolarHBondContact SG-SG 2.97Å; S118-C122 PolarHBondContact O-N 3.09Å; D119-C122 PolarHBondContact O-N 3.22Å; D119-C122 VanDerWaalsContact O-N 3.15Å; R120-C122 VanDerWaalsContact C-N 3.3Å; R120-C122 PolarHBondContact O-N 3.15Å; C122-H124 PolarHBondContact O-N 3.08Å; C122-T125 PolarHBondContact O-N 2.99Å; C122-T125 PolarHBondContact O-OG1 2.86Å; C122-N126 PolarHBondContact O-N 2.84Å; C122-A127 WeakPolarHBondContact O-CA 3.25Å; C122-A127 PolarHBondContact O-N 3.1Å; C122-V129 WeakPolarHBondContact CA-O 3.44Å
123	I	98.4	Very high	97.9	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.097	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-49.9	-178.5	-68.4	169.4	0	0	0	111.2	W90 I96 D119 R120 T125 N126	W90-I123 HydrophobicContact CB-CG1 4.25Å; W90-I123 HydrophobicContact CD2-CD1 3.62Å; W90-I123 HydrophobicContact CD2-CG1 3.77Å; W90-I123 HydrophobicContact CD2-CG2 4.43Å; W90-I123 HydrophobicContact CE3-CD1 3.58Å; W90-I123 HydrophobicContact CE3-CG1 4.24Å; W90-I123 HydrophobicContact CG-CD1 4.13Å; W90-I123 HydrophobicContact CG-CG1 3.76Å; W90-I123 HydrophobicContact CH2-CD1 4.32Å; W90-I123 HydrophobicContact CZ2-CD1 4.35Å; W90-I123 HydrophobicContact CZ2-CG2 4.12Å; W90-I123 HydrophobicContact CZ3-CD1 3.95Å; I96-I123 HydrophobicContact CD1-CD1 4.09Å; I96-I123 HydrophobicContact CD1-CG1 4.39Å; D119-I123 VanDerWaalsContact O-CG1 3.29Å; D119-I123 WeakPolarHBondContact O-CG1 3.36Å; D119-I123 PolarHBondContact O-N 3Å; R120-I123 PolarHBondContact O-N 3.09Å; I123-T125 PolarHBondContact O-N 3.15Å; I123-N126 PolarHBondContact O-N 3.1Å; I123-N126 VanDerWaalsContact O-N 3.09Å
124	H	97.7	Very high	97.9	Very high	51 Å²	51	23.6 Å²	23.6	24%	0.236	13%	0.131	C	C	.	.	H	α-helix	trans	-80.2	-17.1	-173.6	-70.9	-89.1	0	0	0	113.5	R120 C122 N246 P330 T332	R120-H124 VanDerWaalsContact O-CB 3.32Å; R120-H124 WeakPolarHBondContact O-CB 3.33Å; R120-H124 PolarHBondContact O-CD2 3.24Å; R120-H124 PolarHBondContact O-N 3.1Å; C122-H124 PolarHBondContact O-N 3.08Å; H124-N246 PolarHBondContact CE1-OD1 3.45Å; H124-N246 PolarHBondContact NE2-O 3.17Å; H124-P330 HydrophobicContact CB-CG 3.57Å; H124-T332 HydrophobicContact CB-CG2 3.91Å
125	T	96.8	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	9.1	166.7	62.7	0	0	0	0	112.4	I121 C122 I123 A127 H128 V129 T332 Y335	I121-T125 HydrophobicContact CG2-CG2 4.46Å; I121-T125 VanDerWaalsContact O-CB 3.31Å; I121-T125 WeakPolarHBondContact O-CB 3.46Å; I121-T125 WeakPolarHBondContact O-CG2 3.23Å; I121-T125 PolarHBondContact O-N 2.04Å; I121-T125 PolarHBondContact O-OG1 3.02Å; C122-T125 PolarHBondContact O-N 2.99Å; C122-T125 PolarHBondContact O-OG1 2.86Å; I123-T125 PolarHBondContact O-N 3.15Å; T125-A127 PolarHBondContact O-N 3.4Å; T125-H128 WeakPolarHBondContact O-CB 3.44Å; T125-H128 PolarHBondContact O-N 3.5Å; T125-H128 VanDerWaalsContact O-N 3.12Å; T125-H128 PolarHBondContact O-ND1 3.25Å; T125-V129 HydrophobicContact CG2-CB 4.28Å; T125-V129 HydrophobicContact CG2-CG2 4.47Å; T125-V129 PolarHBondContact OG1-N 2.81Å; T125-V129 PolarHBondContact OG1-O 3.25Å; T125-T332 HydrophobicContact CG2-CG2 4.28Å; T125-Y335 HydrophobicContact CG2-CD2 3.32Å; T125-Y335 HydrophobicContact CG2-CE2 3.76Å; T125-Y335 HydrophobicContact CG2-CG 3.99Å
126	N	95.6	Very high	97.9	Very high	115 Å²	115	23.9 Å²	23.9	62%	0.615	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.3	-176.9	-159.8	43.6	0	0	0	112	C122 I123 H128	C122-N126 PolarHBondContact O-N 2.84Å; I123-N126 PolarHBondContact O-N 3.1Å; I123-N126 VanDerWaalsContact O-N 3.09Å; N126-H128 PolarHBondContact O-N 3.08Å; N126-H128 PolarHBondContact O-ND1 2.93Å
127	A	95.6	Very high	97.9	Very high	36 Å²	36	23.9 Å²	23.9	30%	0.298	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	13.6	-178.6	0	0	0	0	0	117.2	Q92 C122 T125 V129	Q92-A127 HydrophobicContact CB-CB 4.14Å; Q92-A127 HydrophobicContact CG-CB 3.26Å; C122-A127 WeakPolarHBondContact O-CA 3.25Å; C122-A127 PolarHBondContact O-N 3.1Å; T125-A127 PolarHBondContact O-N 3.4Å; A127-V129 PolarHBondContact O-N 3.33Å
128	H	94.9	Very high	97.9	Very high	109 Å²	109	23.9 Å²	23.9	51%	0.505	13%	0.132	S	C	.	.	S	Bend	trans	-69.4	-25.6	172	-65.8	79.4	0	0	0	112.2	T125 N126 W336 I339	T125-H128 WeakPolarHBondContact O-CB 3.44Å; T125-H128 PolarHBondContact O-N 3.5Å; T125-H128 VanDerWaalsContact O-N 3.12Å; T125-H128 PolarHBondContact O-ND1 3.25Å; N126-H128 PolarHBondContact O-N 3.08Å; N126-H128 PolarHBondContact O-ND1 2.93Å; H128-W336 HydrophobicContact CB-CH2 4.41Å; H128-W336 AromaticContact CE1-CH2 3.86Å; H128-W336 AromaticContact CG-CH2 3.86Å; H128-W336 AromaticContact ND1-CH2 3.56Å; H128-I339 HydrophobicContact CB-CD1 3.9Å
129	V	96	Very high	97.9	Very high	32 Å²	32	24.1 Å²	24.1	19%	0.194	13%	0.134	C	C	.	.			trans	-130.7	120.2	176.5	-179.2	0	0	0	0	109	I121 C122 T125 A127 V131 Y335	I121-V129 HydrophobicContact CG2-CB 4.35Å; I121-V129 HydrophobicContact CG2-CG1 3.99Å; C122-V129 WeakPolarHBondContact CA-O 3.44Å; T125-V129 HydrophobicContact CG2-CB 4.28Å; T125-V129 HydrophobicContact CG2-CG2 4.47Å; T125-V129 PolarHBondContact OG1-N 2.81Å; T125-V129 PolarHBondContact OG1-O 3.25Å; A127-V129 PolarHBondContact O-N 3.33Å; V129-V131 HydrophobicContact CG1-CG1 4.4Å; V129-Y335 HydrophobicContact CB-CD1 4.47Å; V129-Y335 HydrophobicContact CG1-CD1 4.25Å; V129-Y335 HydrophobicContact CG1-CE1 4.18Å; V129-Y335 HydrophobicContact CG2-CD1 3.93Å; V129-Y335 HydrophobicContact CG2-CG 4.04Å
130	S	97.1	Very high	97.9	Very high	59 Å²	59	24.8 Å²	24.8	41%	0.413	14%	0.138	S	C	.	.			trans	-120.2	123.5	166.6	-174.8	0	0	0	0	108.1	P94	P94-S130 WeakPolarHBondContact CD-OG 3.36Å
131	V	97.9	Very high	97.9	Very high	22 Å²	22	25.8 Å²	25.8	13%	0.133	14%	0.144	C	C	.	.			trans	-144	136.4	-174.2	63.2	0	0	0	0	109.4	S118 I121 V129 V133 S169	S118-V131 VanDerWaalsContact CB-O 3.26Å; S118-V131 WeakPolarHBondContact CB-O 3.28Å; S118-V131 PolarHBondContact OG-O 3.22Å; I121-V131 HydrophobicContact CB-CG1 4.38Å; I121-V131 HydrophobicContact CD1-CG1 3.88Å; I121-V131 HydrophobicContact CG2-CG1 3.87Å; V129-V131 HydrophobicContact CG1-CG1 4.4Å; V131-V133 HydrophobicContact CG1-CG2 4.34Å; V131-S169 VanDerWaalsContact CG2-CB 3.47Å
132	E	98.8	Very high	97.9	Very high	45 Å²	45	26.3 Å²	26.3	21%	0.21	15%	0.148	C	C	.	.			trans	-81.3	112.7	168.6	-73.9	173.4	-118.8	0	0	108.6	T95 R100 S169 G170 G171	T95-E132 HydrophobicContact CG2-CG 4.34Å; R100-E132 VanDerWaalsContact NH2-CB 3.27Å; R100-E132 IonicContact NH2-OE2 3.22Å; E132-S169 CarbonylContact O-C 3.36Å; E132-S169 WeakPolarHBondContact O-CA 3.44Å; E132-G170 PolarHBondContact O-N 3.15Å; E132-G171 WeakPolarHBondContact OE2-CA 3.42Å
133	V	98.8	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-78.9	136.4	178.3	179	0	0	0	0	110	R100 V114 I117 S118 I121 V131 A135 L167 G170	R100-V133 PolarHBondContact NH1-O 3.5Å; V114-V133 HydrophobicContact CB-CB 4.05Å; V114-V133 HydrophobicContact CB-CG1 4Å; V114-V133 HydrophobicContact CG1-CG1 3.93Å; I117-V133 HydrophobicContact CG2-CG1 4.47Å; I117-V133 HydrophobicContact CG2-CG2 3.93Å; S118-V133 WeakPolarHBondContact OG-CB 3.46Å; S118-V133 PolarHBondContact OG-N 3.09Å; I121-V133 HydrophobicContact CD1-CG2 3.7Å; V131-V133 HydrophobicContact CG1-CG2 4.34Å; V133-A135 PolarHBondContact O-N 2.89Å; V133-L167 HydrophobicContact CG1-CB 3.42Å; V133-L167 VanDerWaalsContact CG1-CB 3.42Å; V133-L167 HydrophobicContact CG1-CD1 3.69Å; V133-L167 HydrophobicContact CG1-CG 4.19Å; V133-G170 CarbonylContact C-O 3.52Å
134	S	98.9	Very high	97.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	20%	0.204	C	C	.	.			trans	-70.9	108.9	-173.1	-179.5	0	0	0	0	112.3	E136 D137 L138 V168 G170 R180	S134-E136 PolarHBondContact O-N 3.41Å; S134-E136 WeakPolarHBondContact OG-CB 3.31Å; S134-E136 PolarHBondContact OG-N 2.86Å; S134-D137 PolarHBondContact O-N 3.04Å; S134-D137 WeakPolarHBondContact OG-CB 3.03Å; S134-D137 PolarHBondContact OG-N 3.46Å; S134-L138 PolarHBondContact O-N 2.88Å; S134-V168 WeakPolarHBondContact CB-O 2.99Å; S134-V168 PolarHBondContact N-O 3.34Å; S134-G170 WeakPolarHBondContact CA-O 3.44Å; S134-R180 WeakPolarHBondContact CB-O 3.32Å; S134-R180 PolarHBondContact OG-O 2.76Å
135	A	98.9	Very high	97.8	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-35.4	166.2	0	0	0	0	0	111	F111 V114 V133 L138 L139 Y182	F111-A135 HydrophobicContact CD2-CB 4.02Å; F111-A135 HydrophobicContact CE2-CB 3.74Å; F111-A135 HydrophobicContact CZ-CB 4Å; V114-A135 HydrophobicContact CG2-CB 3.77Å; V133-A135 PolarHBondContact O-N 2.89Å; A135-L138 PolarHBondContact O-N 3.39Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 2.99Å; A135-Y182 HydrophobicContact CB-CD2 4.01Å; A135-Y182 HydrophobicContact CB-CE2 4.19Å
136	E	98.8	Very high	97.9	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-46.5	178.8	177.2	72.8	-159.2	0	0	111.9	S134 T140 R180 Y182 S183	S134-E136 PolarHBondContact O-N 3.41Å; S134-E136 WeakPolarHBondContact OG-CB 3.31Å; S134-E136 PolarHBondContact OG-N 2.86Å; E136-T140 VanDerWaalsContact O-CB 3.31Å; E136-T140 WeakPolarHBondContact O-CB 3.23Å; E136-T140 WeakPolarHBondContact O-CG2 3.38Å; E136-T140 PolarHBondContact O-N 3.4Å; E136-T140 PolarHBondContact O-OG1 3.44Å; E136-R180 HydrophobicContact CG-CB 4.34Å; E136-R180 IonicContact OE1-NH2 2.69Å; E136-R180 PolarHBondContact OE1-NH2 3.09Å; E136-Y182 HydrophobicContact CB-CD2 4.17Å; E136-S183 PolarHBondContact OE1-OG 2.84Å; E136-S183 VanDerWaalsContact OE1-OG 3.14Å; E136-S183 WeakPolarHBondContact OE2-CB 3.48Å; E136-S183 PolarHBondContact OE2-N 2.79Å; E136-S183 PolarHBondContact OE2-OG 2.62Å
137	D	98.9	Very high	98	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-43	179.4	-173.4	36.9	0	0	0	111.5	S134 C141 L167 V168 Y219 K223	S134-D137 PolarHBondContact O-N 3.04Å; S134-D137 WeakPolarHBondContact OG-CB 3.03Å; S134-D137 PolarHBondContact OG-N 3.46Å; D137-C141 WeakPolarHBondContact O-CB 3.33Å; D137-C141 PolarHBondContact O-N 3.45Å; D137-L167 HydrophobicContact CB-CD2 4.38Å; D137-L167 WeakPolarHBondContact OD2-CA 3.26Å; D137-V168 HydrophobicContact CB-CG2 3.78Å; D137-V168 PolarHBondContact OD2-N 2.84Å; D137-Y219 WeakPolarHBondContact OD1-CE2 3.45Å; D137-Y219 PolarHBondContact OD1-OH 2.5Å; D137-K223 IonicContact OD1-NZ 2.57Å; D137-K223 IonicContact OD2-NZ 3.81Å; D137-K223 PolarHBondContact OD2-NZ 3.47Å
138	L	98.9	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-53.5	175.8	179.2	57.7	0	0	0	111.9	W109 A110 A113 V114 S134 A135 T140 C142 A158 F161 L167	W109-L138 HydrophobicContact CH2-CG 4.41Å; W109-L138 HydrophobicContact CZ3-CD1 4.29Å; W109-L138 HydrophobicContact CZ3-CD2 4.29Å; W109-L138 HydrophobicContact CZ3-CG 3.99Å; A110-L138 HydrophobicContact CB-CB 4.41Å; A110-L138 HydrophobicContact CB-CD2 3.64Å; A110-L138 HydrophobicContact CB-CG 3.96Å; A113-L138 HydrophobicContact CB-CD2 4.13Å; V114-L138 HydrophobicContact CG1-CB 4.2Å; V114-L138 HydrophobicContact CG1-CD2 3.79Å; S134-L138 PolarHBondContact O-N 2.88Å; A135-L138 PolarHBondContact O-N 3.39Å; L138-T140 VanDerWaalsContact C-N 3.27Å; L138-T140 PolarHBondContact O-N 3.26Å; L138-C142 HydrophobicContact CD1-CB 4.16Å; L138-C142 VanDerWaalsContact O-CB 3.3Å; L138-C142 WeakPolarHBondContact O-CB 3.37Å; L138-C142 PolarHBondContact O-N 3.47Å; L138-C142 VanDerWaalsContact O-N 3.17Å; L138-A158 HydrophobicContact CD1-CB 4.12Å; L138-A158 HydrophobicContact CD2-CB 3.6Å; L138-A158 HydrophobicContact CG-CB 4.37Å; L138-F161 HydrophobicContact CD1-CB 4.02Å; L138-F161 HydrophobicContact CD1-CD1 3.65Å; L138-F161 HydrophobicContact CD1-CE1 4.47Å; L138-F161 HydrophobicContact CD1-CG 4.1Å; L138-L167 HydrophobicContact CB-CD1 4.23Å; L138-L167 HydrophobicContact CB-CD2 3.58Å; L138-L167 HydrophobicContact CD1-CD2 4.15Å; L138-L167 HydrophobicContact CD2-CD1 4.4Å; L138-L167 HydrophobicContact CG-CD2 4.4Å
139	L	98.8	Very high	98.3	Very high	5 Å²	5	27 Å²	27	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-52.9	-45.9	-178.9	171.7	60.4	0	0	0	111.4	W109 A135 G149 Y182 I184 T204	W109-L139 HydrophobicContact CZ2-CD1 4.05Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 2.99Å; L139-G149 VanDerWaalsContact CD1-C 3.5Å; L139-Y182 HydrophobicContact CD2-CE2 3.84Å; L139-I184 HydrophobicContact CD2-CD1 4.2Å; L139-T204 HydrophobicContact CD1-CG2 4.14Å; L139-T204 HydrophobicContact CG-CG2 4.14Å
140	T	98.8	Very high	98.4	Very high	15 Å²	15	25.5 Å²	25.5	9%	0.092	17%	0.167	C	C	.	.	H	α-helix	trans	-91.7	-30.7	-169.6	64	0	0	0	0	113.1	E136 L138 R180 P205 C207	E136-T140 VanDerWaalsContact O-CB 3.31Å; E136-T140 WeakPolarHBondContact O-CB 3.23Å; E136-T140 WeakPolarHBondContact O-CG2 3.38Å; E136-T140 PolarHBondContact O-N 3.4Å; E136-T140 PolarHBondContact O-OG1 3.44Å; L138-T140 VanDerWaalsContact C-N 3.27Å; L138-T140 PolarHBondContact O-N 3.26Å; T140-R180 PolarHBondContact OG1-NH1 2.97Å; T140-P205 WeakPolarHBondContact CB-O 3.48Å; T140-P205 HydrophobicContact CG2-CB 3.8Å; T140-P205 HydrophobicContact CG2-CG 4.27Å; T140-P205 WeakPolarHBondContact CG2-O 3.49Å; T140-C207 WeakPolarHBondContact O-CB 3.23Å
141	C	98.8	Very high	98.4	Very high	21 Å²	21	26.5 Å²	26.5	14%	0.142	17%	0.168	C	C	.	.	H	α-helix	trans	-107	-8.4	-170.4	-63.7	0	0	0	0	115.7	D137 F161 C207	D137-C141 WeakPolarHBondContact O-CB 3.33Å; D137-C141 PolarHBondContact O-N 3.45Å; C141-F161 HydrophobicContact CB-CZ 4.12Å; C141-F161 WeakPolarHBondContact O-CE2 3.29Å; C141-C207 VanDerWaalsContact CA-SG 3.56Å; C141-C207 HydrophobicContact CB-CB 4Å; C141-C207 WeakPolarHBondContact CB-SG 3.37Å; C141-C207 VanDerWaalsContact SG-CA 3.54Å; C141-C207 WeakPolarHBondContact SG-CB 3.39Å; C141-C207 CovalentContact SG-SG 2.04Å; C141-C207 PolarHBondContact SG-SG 3.13Å
142	C	98.7	Very high	98.4	Very high	12 Å²	12	25.5 Å²	25.5	8%	0.081	16%	0.162	C	C	.	.	S	Bend	trans	-69.5	-38	173.5	-173.5	0	0	0	0	112.5	L138 C146 F161	L138-C142 HydrophobicContact CD1-CB 4.16Å; L138-C142 VanDerWaalsContact O-CB 3.3Å; L138-C142 WeakPolarHBondContact O-CB 3.37Å; L138-C142 PolarHBondContact O-N 3.47Å; L138-C142 VanDerWaalsContact O-N 3.17Å; C142-C146 HydrophobicContact CB-CB 3.66Å; C142-C146 WeakPolarHBondContact CB-SG 3.36Å; C142-C146 WeakPolarHBondContact SG-CB 3.27Å; C142-C146 PolarHBondContact SG-N 3.31Å; C142-C146 VanDerWaalsContact SG-N 3.37Å; C142-C146 CovalentContact SG-SG 2.02Å; C142-C146 PolarHBondContact SG-SG 3Å; C142-F161 HydrophobicContact CB-CB 4.36Å; C142-F161 HydrophobicContact CB-CD1 4.43Å; C142-F161 HydrophobicContact CB-CD2 3.87Å; C142-F161 HydrophobicContact CB-CE2 4.23Å; C142-F161 HydrophobicContact CB-CG 3.96Å
143	G	98.1	Very high	98.4	Very high	42 Å²	42	23.3 Å²	23.3	43%	0.433	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	67.1	-153.8	-177.2	0	0	0	0	0	112.6	M145 C146	G143-M145 PolarHBondContact O-N 2.87Å; G143-C146 PolarHBondContact O-N 2.95Å
144	S	97.6	Very high	98.4	Very high	119 Å²	119	26.9 Å²	26.9	83%	0.832	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-60.5	-14.2	-172.5	65.2	0	0	0	0	115.1	C146 G147	S144-C146 VanDerWaalsContact C-N 3.33Å; S144-G147 WeakPolarHBondContact CA-O 3.26Å
145	M	97.7	Very high	98.4	Very high	60 Å²	60	27.1 Å²	27.1	30%	0.296	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-61.6	-43.5	171.7	-178.3	-175	-49.2	0	0	110.9	G143 E157	G143-M145 PolarHBondContact O-N 2.87Å; M145-E157 HydrophobicContact CG-CB 4.21Å; M145-E157 HydrophobicContact CG-CG 4.38Å; M145-E157 WeakPolarHBondContact CG-OE2 3.46Å; M145-E157 VanDerWaalsContact O-CB 3.26Å; M145-E157 WeakPolarHBondContact O-CB 3.37Å; M145-E157 VanDerWaalsContact O-CG 3.27Å; M145-E157 WeakPolarHBondContact O-CG 3.4Å
146	C	98.6	Very high	98.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-10	-179.8	-66.9	0	0	0	0	113.6	W109 C142 G143 S144 G153 Y154 E157	W109-C146 HydrophobicContact CE3-CB 4.06Å; W109-C146 HydrophobicContact CH2-CB 3.4Å; W109-C146 VanDerWaalsContact CH2-CB 3.4Å; W109-C146 HydrophobicContact CZ2-CB 4.28Å; W109-C146 HydrophobicContact CZ3-CB 3.28Å; C142-C146 HydrophobicContact CB-CB 3.66Å; C142-C146 WeakPolarHBondContact CB-SG 3.36Å; C142-C146 WeakPolarHBondContact SG-CB 3.27Å; C142-C146 PolarHBondContact SG-N 3.31Å; C142-C146 VanDerWaalsContact SG-N 3.37Å; C142-C146 CovalentContact SG-SG 2.02Å; C142-C146 PolarHBondContact SG-SG 3Å; G143-C146 PolarHBondContact O-N 2.95Å; S144-C146 VanDerWaalsContact C-N 3.33Å; C146-G153 CarbonylContact O-C 3.36Å; C146-G153 WeakPolarHBondContact O-CA 3.41Å; C146-Y154 PolarHBondContact O-N 3.01Å; C146-E157 HydrophobicContact CB-CB 4.49Å; C146-E157 VanDerWaalsContact SG-C 3.54Å; C146-E157 PolarHBondContact SG-O 3.44Å
147	G	98.1	Very high	98.4	Very high	17 Å²	17	28.3 Å²	28.3	18%	0.175	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	122.6	-138.5	-177.3	0	0	0	0	0	112	S144	S144-G147 WeakPolarHBondContact CA-O 3.26Å
148	D	97.9	Very high	98.4	Very high	96 Å²	96	28.3 Å²	28.3	51%	0.513	17%	0.173	S	C	.	.	S	Bend	trans	-119.6	40.2	-171.4	-165.1	36.3	0	0	0	112.6	C150 N151 G152	D148-C150 PolarHBondContact O-N 3.18Å; D148-C150 VanDerWaalsContact O-N 3.14Å; D148-N151 HydrophobicContact CB-CB 4.1Å; D148-N151 WeakPolarHBondContact O-CB 3.42Å; D148-N151 PolarHBondContact O-N 3.3Å; D148-N151 WeakPolarHBondContact OD2-CB 3.35Å; D148-N151 PolarHBondContact OD2-ND2 3.48Å; D148-G152 PolarHBondContact N-O 3.39Å
149	G	98.2	Very high	98.4	Very high	8 Å²	8	28.3 Å²	28.3	8%	0.082	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	58.2	-117.4	173.7	0	0	0	0	0	112.9	W109 L139 N151 G152 T204	W109-G149 PolarHBondContact NE1-O 3.03Å; L139-G149 VanDerWaalsContact CD1-C 3.5Å; G149-N151 PolarHBondContact O-N 3.35Å; G149-G152 PolarHBondContact O-N 2.83Å; G149-T204 WeakPolarHBondContact CA-OG1 3.48Å
150	C	98	Very high	98.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-70.8	-8.4	178	-70.2	0	0	0	0	114.9	R57 C105 G106 D148 G152 T204	R57-C150 VanDerWaalsContact CZ-O 3.26Å; R57-C150 PolarHBondContact NH2-O 2.98Å; C105-C150 HydrophobicContact CB-CB 3.83Å; C105-C150 WeakPolarHBondContact CB-SG 3.45Å; C105-C150 WeakPolarHBondContact SG-CA 3.21Å; C105-C150 WeakPolarHBondContact SG-CB 3.26Å; C105-C150 CovalentContact SG-SG 2.03Å; C105-C150 PolarHBondContact SG-SG 3.15Å; G106-C150 VanDerWaalsContact CA-O 3.24Å; G106-C150 WeakPolarHBondContact CA-O 3.15Å; G106-C150 PolarHBondContact N-O 3.05Å; D148-C150 PolarHBondContact O-N 3.18Å; D148-C150 VanDerWaalsContact O-N 3.14Å; C150-G152 VanDerWaalsContact C-N 3.34Å; C150-T204 PolarHBondContact N-OG1 2.88Å
151	N	97.4	Very high	98.3	Very high	81 Å²	81	30.1 Å²	30.1	43%	0.433	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-94.5	1.3	173.1	-56.3	-42.5	0	0	0	112.5	R57 F62 D148 G149	R57-N151 PolarHBondContact NH1-OD1 3.48Å; R57-N151 PolarHBondContact NH2-OD1 2.96Å; F62-N151 WeakPolarHBondContact CZ-O 2.99Å; D148-N151 HydrophobicContact CB-CB 4.1Å; D148-N151 WeakPolarHBondContact O-CB 3.42Å; D148-N151 PolarHBondContact O-N 3.3Å; D148-N151 WeakPolarHBondContact OD2-CB 3.35Å; D148-N151 PolarHBondContact OD2-ND2 3.48Å; G149-N151 PolarHBondContact O-N 3.35Å
152	G	98.2	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.			trans	119.8	166.3	169	0	0	0	0	0	114.3	G60 F62 D148 G149 C150	G60-G152 CarbonylContact O-C 3.46Å; G60-G152 WeakPolarHBondContact O-CA 3.03Å; F62-G152 VanDerWaalsContact CE2-C 3.46Å; F62-G152 WeakPolarHBondContact CE2-O 2.95Å; D148-G152 PolarHBondContact N-O 3.39Å; G149-G152 PolarHBondContact O-N 2.83Å; C150-G152 VanDerWaalsContact C-N 3.34Å
153	G	98.6	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-163	-176.1	-172.9	0	0	0	0	0	115.4	G60 F62 C146	G60-G153 PolarHBondContact O-N 2.03Å; F62-G153 PolarHBondContact N-O 3.15Å; C146-G153 CarbonylContact O-C 3.36Å; C146-G153 WeakPolarHBondContact O-CA 3.41Å
154	Y	98.7	Very high	98.3	Very high	74 Å²	74	35.2 Å²	35.2	29%	0.29	19%	0.187	S	C	.	.			trans	-111.3	110.8	-172.9	-58.4	-69.3	0	0	0	110.3	F62 C146 A156 E157 A158	F62-Y154 HydrophobicContact CB-CD1 3.74Å; F62-Y154 HydrophobicContact CB-CE1 3.35Å; F62-Y154 HydrophobicContact CD2-CD1 4.32Å; F62-Y154 AromaticContact CD2-CE1 3.84Å; F62-Y154 HydrophobicContact CD2-CE1 3.84Å; F62-Y154 HydrophobicContact CD2-CE2 4.06Å; F62-Y154 AromaticContact CD2-CZ 3.68Å; F62-Y154 HydrophobicContact CG-CE1 4.04Å; C146-Y154 PolarHBondContact O-N 3.01Å; Y154-A156 VanDerWaalsContact C-N 3.27Å; Y154-A156 PolarHBondContact O-N 3.2Å; Y154-E157 PolarHBondContact O-N 3.44Å; Y154-A158 PolarHBondContact O-N 3.39Å
155	P	98.7	Very high	98.3	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.039	17%	0.173	C	C	.	.	H	α-helix	trans	-50.5	-44.9	177.9	-32.7	38.2	0	0	0	113.1	T61 W109 E157 A158 W159 E250 A279 V326	T61-P155 HydrophobicContact CG2-CG 3.7Å; W109-P155 HydrophobicContact CB-CG 4.16Å; P155-E157 VanDerWaalsContact C-N 3.25Å; P155-E157 PolarHBondContact O-N 3.46Å; P155-E157 VanDerWaalsContact O-N 3.16Å; P155-A158 VanDerWaalsContact O-CB 3.28Å; P155-A158 WeakPolarHBondContact O-CB 3.32Å; P155-A158 PolarHBondContact O-N 3.2Å; P155-W159 PolarHBondContact O-N 2.88Å; P155-E250 HydrophobicContact CB-CG 4.35Å; P155-A279 HydrophobicContact CG-CB 4Å; P155-V326 HydrophobicContact CB-CG2 4.07Å
156	A	98.4	Very high	98.4	Very high	6 Å²	6	32.6 Å²	32.6	5%	0.05	16%	0.159	C	C	.	.	H	α-helix	trans	-51	-42.6	176.7	0	0	0	0	0	114.3	P66 P68 Y154 A158 N160	P66-A156 HydrophobicContact CB-CB 4.43Å; P66-A156 WeakPolarHBondContact O-CB 3.43Å; P68-A156 HydrophobicContact CG-CB 3.8Å; Y154-A156 VanDerWaalsContact C-N 3.27Å; Y154-A156 PolarHBondContact O-N 3.2Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A156-N160 PolarHBondContact O-N 3.23Å
157	E	98.6	Very high	98.4	Very high	30 Å²	30	32.5 Å²	32.5	14%	0.14	16%	0.158	C	C	.	.	H	α-helix	trans	-78.7	-21.6	-176.7	-68.4	-63.3	165.2	0	0	112.4	P66 M145 C146 Y154 P155 N160 F161	P66-E157 HydrophobicContact CB-CG 4.35Å; P66-E157 HydrophobicContact CG-CG 4.04Å; M145-E157 HydrophobicContact CG-CB 4.21Å; M145-E157 HydrophobicContact CG-CG 4.38Å; M145-E157 WeakPolarHBondContact CG-OE2 3.46Å; M145-E157 VanDerWaalsContact O-CB 3.26Å; M145-E157 WeakPolarHBondContact O-CB 3.37Å; M145-E157 VanDerWaalsContact O-CG 3.27Å; M145-E157 WeakPolarHBondContact O-CG 3.4Å; C146-E157 HydrophobicContact CB-CB 4.49Å; C146-E157 VanDerWaalsContact SG-C 3.54Å; C146-E157 PolarHBondContact SG-O 3.44Å; Y154-E157 PolarHBondContact O-N 3.44Å; P155-E157 VanDerWaalsContact C-N 3.25Å; P155-E157 PolarHBondContact O-N 3.46Å; P155-E157 VanDerWaalsContact O-N 3.16Å; E157-N160 WeakPolarHBondContact O-CB 3.43Å; E157-N160 PolarHBondContact O-N 2.81Å; E157-N160 VanDerWaalsContact OE2-CB 3.32Å; E157-N160 WeakPolarHBondContact OE2-CB 3.49Å; E157-N160 PolarHBondContact OE2-ND2 2.66Å; E157-F161 WeakPolarHBondContact O-CB 2.9Å; E157-F161 PolarHBondContact O-N 3.42Å
158	A	98.8	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-48.7	169.3	0	0	0	0	0	112.1	W109 A113 L138 Y154 P155 A156 N160 F161 W162	W109-A158 HydrophobicContact CE3-CB 4.11Å; W109-A158 HydrophobicContact CZ3-CB 4.18Å; A113-A158 HydrophobicContact CB-CB 3.65Å; L138-A158 HydrophobicContact CD1-CB 4.12Å; L138-A158 HydrophobicContact CD2-CB 3.6Å; L138-A158 HydrophobicContact CG-CB 4.37Å; Y154-A158 PolarHBondContact O-N 3.39Å; P155-A158 VanDerWaalsContact O-CB 3.28Å; P155-A158 WeakPolarHBondContact O-CB 3.32Å; P155-A158 PolarHBondContact O-N 3.2Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A158-N160 VanDerWaalsContact C-N 3.29Å; A158-N160 PolarHBondContact O-N 2.94Å; A158-F161 PolarHBondContact O-N 2.79Å; A158-W162 PolarHBondContact O-N 3.26Å
159	W	98.8	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-35.3	175.8	-68.5	82.6	0	0	0	111.8	A116 I117 P155 W162 T163 E250 G328	A116-W159 HydrophobicContact CB-CH2 3.98Å; A116-W159 HydrophobicContact CB-CZ2 3.84Å; I117-W159 HydrophobicContact CD1-CE3 4.37Å; I117-W159 HydrophobicContact CD1-CZ3 4.48Å; I117-W159 HydrophobicContact CG1-CE3 4.02Å; I117-W159 HydrophobicContact CG1-CH2 3.84Å; I117-W159 HydrophobicContact CG1-CZ2 4.34Å; I117-W159 HydrophobicContact CG1-CZ3 3.65Å; P155-W159 PolarHBondContact O-N 2.88Å; W159-W162 AromaticContact CE3-CE3 3.78Å; W159-W162 HydrophobicContact CE3-CE3 3.78Å; W159-W162 AromaticContact CE3-CZ3 3.7Å; W159-W162 HydrophobicContact CE3-CZ3 3.7Å; W159-W162 HydrophobicContact CZ3-CE3 4.25Å; W159-W162 HydrophobicContact CZ3-CH2 4.45Å; W159-W162 AromaticContact CZ3-CZ3 3.8Å; W159-W162 HydrophobicContact CZ3-CZ3 3.8Å; W159-W162 PolarHBondContact O-N 3.39Å; W159-T163 WeakPolarHBondContact O-CG2 3.24Å; W159-T163 PolarHBondContact O-N 2.89Å; W159-T163 PolarHBondContact O-OG1 2.83Å; W159-E250 HydrophobicContact CZ2-CB 4.12Å; W159-E250 PolarHBondContact NE1-OE2 2.91Å; W159-G328 VanDerWaalsContact CE3-N 3.29Å
160	N	98.3	Very high	98.5	Very high	45 Å²	45	27 Å²	27	24%	0.241	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-40.1	173.3	-113.1	-9.4	0	0	0	112.3	A156 E157 A158 T163 R164 S229	A156-N160 PolarHBondContact O-N 3.23Å; E157-N160 WeakPolarHBondContact O-CB 3.43Å; E157-N160 PolarHBondContact O-N 2.81Å; E157-N160 VanDerWaalsContact OE2-CB 3.32Å; E157-N160 WeakPolarHBondContact OE2-CB 3.49Å; E157-N160 PolarHBondContact OE2-ND2 2.66Å; A158-N160 VanDerWaalsContact C-N 3.29Å; A158-N160 PolarHBondContact O-N 2.94Å; N160-T163 PolarHBondContact O-N 3.13Å; N160-T163 PolarHBondContact O-OG1 2.86Å; N160-R164 WeakPolarHBondContact O-CB 3.47Å; N160-R164 WeakPolarHBondContact O-CG 3.22Å; N160-R164 PolarHBondContact O-N 3.21Å; N160-S229 PolarHBondContact OD1-OG 3.02Å
161	F	98.8	Very high	98.5	Very high	13 Å²	13	27 Å²	27	6%	0.057	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-42.5	174.9	-176.3	-97.1	0	0	0	111.3	L138 C141 C142 E157 A158 T163 R164 K165 G166 L167	L138-F161 HydrophobicContact CD1-CB 4.02Å; L138-F161 HydrophobicContact CD1-CD1 3.65Å; L138-F161 HydrophobicContact CD1-CE1 4.47Å; L138-F161 HydrophobicContact CD1-CG 4.1Å; C141-F161 HydrophobicContact CB-CZ 4.12Å; C141-F161 WeakPolarHBondContact O-CE2 3.29Å; C142-F161 HydrophobicContact CB-CB 4.36Å; C142-F161 HydrophobicContact CB-CD1 4.43Å; C142-F161 HydrophobicContact CB-CD2 3.87Å; C142-F161 HydrophobicContact CB-CE2 4.23Å; C142-F161 HydrophobicContact CB-CG 3.96Å; E157-F161 WeakPolarHBondContact O-CB 2.9Å; E157-F161 PolarHBondContact O-N 3.42Å; A158-F161 PolarHBondContact O-N 2.79Å; F161-T163 VanDerWaalsContact C-N 3.34Å; F161-T163 PolarHBondContact O-N 3.31Å; F161-R164 PolarHBondContact O-N 3.41Å; F161-K165 HydrophobicContact CD1-CB 4.49Å; F161-K165 HydrophobicContact CD2-CB 4.11Å; F161-K165 HydrophobicContact CD2-CG 4.05Å; F161-K165 HydrophobicContact CE1-CB 4.15Å; F161-K165 HydrophobicContact CE2-CB 3.73Å; F161-K165 HydrophobicContact CE2-CG 3.7Å; F161-K165 HydrophobicContact CG-CB 4.49Å; F161-K165 HydrophobicContact CZ-CB 3.76Å; F161-K165 HydrophobicContact CZ-CG 4.22Å; F161-K165 PolarHBondContact O-N 3.21Å; F161-G166 PolarHBondContact O-N 3.07Å; F161-L167 HydrophobicContact CD1-CD2 3.78Å; F161-L167 HydrophobicContact CD1-CG 4.45Å; F161-L167 HydrophobicContact CE1-CD2 3.69Å
162	W	98.8	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-41.6	175.3	172.5	59.5	0	0	0	112.9	I117 A158 W159 G166 L167 H224 G226 P330	I117-W162 HydrophobicContact CD1-CB 3.93Å; I117-W162 HydrophobicContact CD1-CD2 3.78Å; I117-W162 HydrophobicContact CD1-CE3 4.11Å; I117-W162 HydrophobicContact CD1-CG 3.73Å; I117-W162 HydrophobicContact CG1-CD2 4.07Å; I117-W162 HydrophobicContact CG1-CE3 4.18Å; I117-W162 HydrophobicContact CG1-CG 4.49Å; I117-W162 HydrophobicContact CG1-CZ2 4.47Å; I117-W162 HydrophobicContact CG1-CZ3 4.42Å; I117-W162 HydrophobicContact CG2-CD2 4.2Å; I117-W162 HydrophobicContact CG2-CH2 4.47Å; I117-W162 HydrophobicContact CG2-CZ2 3.74Å; A158-W162 PolarHBondContact O-N 3.26Å; W159-W162 AromaticContact CE3-CE3 3.78Å; W159-W162 HydrophobicContact CE3-CE3 3.78Å; W159-W162 AromaticContact CE3-CZ3 3.7Å; W159-W162 HydrophobicContact CE3-CZ3 3.7Å; W159-W162 HydrophobicContact CZ3-CE3 4.25Å; W159-W162 HydrophobicContact CZ3-CH2 4.45Å; W159-W162 AromaticContact CZ3-CZ3 3.8Å; W159-W162 HydrophobicContact CZ3-CZ3 3.8Å; W159-W162 PolarHBondContact O-N 3.39Å; W162-G166 WeakPolarHBondContact O-CA 3.49Å; W162-G166 PolarHBondContact O-N 2.95Å; W162-L167 HydrophobicContact CB-CD1 4.04Å; W162-L167 HydrophobicContact CB-CG 4.4Å; W162-L167 HydrophobicContact CG-CD1 4.37Å; W162-H224 PolarHBondContact NE1-O 3.03Å; W162-G226 VanDerWaalsContact CD2-CA 3.48Å; W162-G226 VanDerWaalsContact CH2-CA 3.41Å; W162-G226 VanDerWaalsContact CZ3-CA 3.49Å; W162-G226 PolarHBondContact O-N 2.66Å; W162-P330 VanDerWaalsContact CH2-CA 3.46Å; W162-P330 HydrophobicContact CH2-CB 4.02Å; W162-P330 HydrophobicContact CZ2-CB 3.83Å
163	T	98.1	Very high	98.5	Very high	30 Å²	30	30.4 Å²	30.4	18%	0.184	14%	0.136	C	C	.	.	H	α-helix	trans	-69.6	-39.8	175.6	56.8	0	0	0	0	112.4	W159 N160 F161	W159-T163 WeakPolarHBondContact O-CG2 3.24Å; W159-T163 PolarHBondContact O-N 2.89Å; W159-T163 PolarHBondContact O-OG1 2.83Å; N160-T163 PolarHBondContact O-N 3.13Å; N160-T163 PolarHBondContact O-OG1 2.86Å; F161-T163 VanDerWaalsContact C-N 3.34Å; F161-T163 PolarHBondContact O-N 3.31Å
164	R	97.8	Very high	98.4	Very high	152 Å²	152	36.8 Å²	36.8	57%	0.574	17%	0.166	S	C	*	.	H	α-helix	trans	-82.2	-36.4	-173.9	-68.3	177.3	69.9	-174.6	3.6	114.8	N160 F161	N160-R164 WeakPolarHBondContact O-CB 3.47Å; N160-R164 WeakPolarHBondContact O-CG 3.22Å; N160-R164 PolarHBondContact O-N 3.21Å; F161-R164 PolarHBondContact O-N 3.41Å
165	K	98.3	Very high	98.3	Very high	124 Å²	124	35.3 Å²	35.3	54%	0.539	17%	0.167	S	C	.	.	H	α-helix	trans	-126.3	-14.2	-170.7	-63.5	-61.5	-176.8	-172.1	0	113.3	F161 K223 Y225	F161-K165 HydrophobicContact CD1-CB 4.49Å; F161-K165 HydrophobicContact CD2-CB 4.11Å; F161-K165 HydrophobicContact CD2-CG 4.05Å; F161-K165 HydrophobicContact CE1-CB 4.15Å; F161-K165 HydrophobicContact CE2-CB 3.73Å; F161-K165 HydrophobicContact CE2-CG 3.7Å; F161-K165 HydrophobicContact CG-CB 4.49Å; F161-K165 HydrophobicContact CZ-CB 3.76Å; F161-K165 HydrophobicContact CZ-CG 4.22Å; F161-K165 PolarHBondContact O-N 3.21Å; K165-K223 WeakPolarHBondContact O-CD 3.33Å; K165-Y225 VanDerWaalsContact C-CE1 3.43Å; K165-Y225 WeakPolarHBondContact O-CE1 3.31Å
166	G	98.5	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.196	C	C	.	.			trans	68.4	174	-173.7	0	0	0	0	0	112.4	F161 W162 K223 H224	F161-G166 PolarHBondContact O-N 3.07Å; W162-G166 WeakPolarHBondContact O-CA 3.49Å; W162-G166 PolarHBondContact O-N 2.95Å; G166-K223 VanDerWaalsContact C-CD 3.42Å; G166-K223 WeakPolarHBondContact O-CD 3.33Å; G166-K223 PolarHBondContact O-NZ 3.3Å; G166-H224 CarbonylContact C-O 3.5Å; G166-H224 WeakPolarHBondContact CA-O 3.39Å
167	L	98.9	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-133.3	141.1	176.3	-68.5	170.2	0	0	0	109.9	V114 I117 V133 D137 L138 F161 W162 H224	V114-L167 HydrophobicContact CG1-CD1 3.85Å; I117-L167 HydrophobicContact CD1-CD1 4.16Å; V133-L167 HydrophobicContact CG1-CB 3.42Å; V133-L167 VanDerWaalsContact CG1-CB 3.42Å; V133-L167 HydrophobicContact CG1-CD1 3.69Å; V133-L167 HydrophobicContact CG1-CG 4.19Å; D137-L167 HydrophobicContact CB-CD2 4.38Å; D137-L167 WeakPolarHBondContact OD2-CA 3.26Å; L138-L167 HydrophobicContact CB-CD1 4.23Å; L138-L167 HydrophobicContact CB-CD2 3.58Å; L138-L167 HydrophobicContact CD1-CD2 4.15Å; L138-L167 HydrophobicContact CD2-CD1 4.4Å; L138-L167 HydrophobicContact CG-CD2 4.4Å; F161-L167 HydrophobicContact CD1-CD2 3.78Å; F161-L167 HydrophobicContact CD1-CG 4.45Å; F161-L167 HydrophobicContact CE1-CD2 3.69Å; W162-L167 HydrophobicContact CB-CD1 4.04Å; W162-L167 HydrophobicContact CB-CG 4.4Å; W162-L167 HydrophobicContact CG-CD1 4.37Å; L167-H224 PolarHBondContact N-O 2.83Å; L167-H224 WeakPolarHBondContact O-CB 3.33Å; L167-H224 PolarHBondContact O-N 2.97Å
168	V	98.8	Very high	98.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.			trans	-80.9	169.4	174.7	-58.9	0	0	0	0	110.8	S134 D137 C179 R180 Y219 D222 K223	S134-V168 WeakPolarHBondContact CB-O 2.99Å; S134-V168 PolarHBondContact N-O 3.34Å; D137-V168 HydrophobicContact CB-CG2 3.78Å; D137-V168 PolarHBondContact OD2-N 2.84Å; V168-C179 HydrophobicContact CB-CB 3.84Å; V168-C179 HydrophobicContact CG2-CB 3.87Å; V168-R180 HydrophobicContact CG2-CB 4.11Å; V168-R180 HydrophobicContact CG2-CG 4.06Å; V168-Y219 HydrophobicContact CG1-CD2 3.64Å; V168-Y219 HydrophobicContact CG1-CE2 3.7Å; V168-Y219 HydrophobicContact CG1-CG 4.18Å; V168-Y219 VanDerWaalsContact CG1-O 3.22Å; V168-Y219 WeakPolarHBondContact CG1-O 2.94Å; V168-Y219 HydrophobicContact CG2-CD2 4.3Å; V168-Y219 HydrophobicContact CG2-CE2 4.18Å; V168-D222 HydrophobicContact CB-CB 4.3Å; V168-D222 HydrophobicContact CG1-CB 4.21Å; V168-K223 HydrophobicContact CG1-CD 3.76Å; V168-K223 HydrophobicContact CG1-CG 3.96Å
169	S	98.9	Very high	98.3	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.021	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-69.5	153.6	168.9	64.8	0	0	0	0	111.8	V131 E132 G178 C179 R180 Y215 D222	V131-S169 VanDerWaalsContact CG2-CB 3.47Å; E132-S169 CarbonylContact O-C 3.36Å; E132-S169 WeakPolarHBondContact O-CA 3.44Å; S169-G178 WeakPolarHBondContact OG-CA 3.27Å; S169-C179 WeakPolarHBondContact O-CA 3.41Å; S169-C179 WeakPolarHBondContact O-CB 3.38Å; S169-C179 PolarHBondContact O-N 3.45Å; S169-C179 PolarHBondContact OG-N 3.27Å; S169-R180 PolarHBondContact O-N 3.18Å; S169-Y215 PolarHBondContact OG-OH 3.4Å; S169-Y215 VanDerWaalsContact OG-OH 3.05Å; S169-D222 VanDerWaalsContact CB-OD2 3.3Å; S169-D222 WeakPolarHBondContact CB-OD2 3.48Å; S169-D222 PolarHBondContact N-OD2 2.94Å; S169-D222 PolarHBondContact OG-OD2 3.22Å
170	G	98.8	Very high	98.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	21%	0.213	C	C	.	.			trans	171.9	117.7	-179.1	0	0	0	0	0	111.9	E132 V133 S134 V177 R180	E132-G170 PolarHBondContact O-N 3.15Å; V133-G170 CarbonylContact C-O 3.52Å; S134-G170 WeakPolarHBondContact CA-O 3.44Å; G170-V177 CarbonylContact C-O 3.5Å; G170-V177 WeakPolarHBondContact CA-O 3.35Å; G170-R180 VanDerWaalsContact CA-O 3.24Å; G170-R180 WeakPolarHBondContact CA-O 3.24Å
171	G	98.5	Very high	98.3	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	20%	0.204	C	C	.	.			trans	-92.7	-155.6	-179	0	0	0	0	0	114.6	E132 V177 P181 Y182	E132-G171 WeakPolarHBondContact OE2-CA 3.42Å; G171-V177 PolarHBondContact N-O 2.89Å; G171-P181 WeakPolarHBondContact O-CA 3.36Å; G171-Y182 PolarHBondContact O-N 3.09Å
172	L	98.1	Very high	98.3	Very high	67 Å²	67	42.5 Å²	42.5	35%	0.351	20%	0.203	S	C	.	.	S	Bend	trans	-62.5	163.3	179.4	-59.5	175.1	0	0	0	112.8	R100 E174 S175	R100-L172 HydrophobicContact CB-CD2 3.91Å; R100-L172 HydrophobicContact CG-CD2 3.85Å; L172-E174 PolarHBondContact O-N 3.25Å; L172-S175 PolarHBondContact N-OG 2.86Å; L172-S175 VanDerWaalsContact O-CB 3.24Å; L172-S175 WeakPolarHBondContact O-CB 3.4Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-S175 VanDerWaalsContact O-N 3.15Å; L172-S175 PolarHBondContact O-OG 3.47Å
173	Y	97.5	Very high	98.2	Very high	84 Å²	84	45.2 Å²	45.2	33%	0.329	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	131.8	172.9	177.3	-99.5	0	0	0	112.2	S175 Y182 S183 P185	Y173-S175 PolarHBondContact O-N 3.44Å; Y173-Y182 VanDerWaalsContact CA-O 3.27Å; Y173-Y182 WeakPolarHBondContact CA-O 3.49Å; Y173-Y182 WeakPolarHBondContact CD2-O 3.2Å; Y173-S183 WeakPolarHBondContact CE2-O 3.33Å; Y173-P185 HydrophobicContact CD1-CB 4.3Å; Y173-P185 HydrophobicContact CD2-CB 4.35Å; Y173-P185 HydrophobicContact CE1-CB 3.9Å; Y173-P185 HydrophobicContact CE2-CB 3.98Å
174	E	96.1	Very high	98.2	Very high	135 Å²	135	44.9 Å²	44.9	63%	0.631	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	19.6	-178	-69.9	-171.4	146.5	0	0	115.4	L172 H176	L172-E174 PolarHBondContact O-N 3.25Å; E174-H176 VanDerWaalsContact C-N 3.32Å
175	S	97.7	Very high	98	Very high	43 Å²	43	39.9 Å²	39.9	30%	0.301	21%	0.206	S	C	.	.			trans	-74.9	-23.2	176.2	64.2	0	0	0	0	113.4	L172 Y173 V177	L172-S175 PolarHBondContact N-OG 2.86Å; L172-S175 VanDerWaalsContact O-CB 3.24Å; L172-S175 WeakPolarHBondContact O-CB 3.4Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-S175 VanDerWaalsContact O-N 3.15Å; L172-S175 PolarHBondContact O-OG 3.47Å; Y173-S175 PolarHBondContact O-N 3.44Å; S175-V177 PolarHBondContact O-N 3.36Å; S175-V177 PolarHBondContact OG-N 3.24Å
176	H	97.8	Very high	97.7	Very high	142 Å²	142	35.3 Å²	35.3	66%	0.657	19%	0.189	S	C	*	.			trans	54.3	25.6	-167.9	-52.3	-61.8	0	0	0	113.6	E174 E212	E174-H176 VanDerWaalsContact C-N 3.32Å; H176-E212 IonicContact ND1-OE2 3.51Å; H176-E212 PolarHBondContact ND1-OE2 2.97Å
177	V	98.3	Very high	97.2	Very high	63 Å²	63	35.5 Å²	35.5	38%	0.382	19%	0.19	S	C	.	.			trans	-96.6	120.3	178	177.6	0	0	0	0	110.3	G170 G171 S175	G170-V177 CarbonylContact C-O 3.5Å; G170-V177 WeakPolarHBondContact CA-O 3.35Å; G171-V177 PolarHBondContact N-O 2.89Å; S175-V177 PolarHBondContact O-N 3.36Å; S175-V177 PolarHBondContact OG-N 3.24Å
178	G	98.4	Very high	96.2	Very high	10 Å²	10	36.9 Å²	36.9	10%	0.103	20%	0.197	C	C	.	.	S	Bend	trans	86.2	-174.6	175.5	0	0	0	0	0	114.5	S169 Y215	S169-G178 WeakPolarHBondContact OG-CA 3.27Å; G178-Y215 VanDerWaalsContact C-CE2 3.47Å; G178-Y215 VanDerWaalsContact CA-CE2 3.48Å; G178-Y215 WeakPolarHBondContact O-CD2 3.5Å
179	C	98.8	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-69.5	-48	-176.6	174.3	0	0	0	0	112.6	V168 S169 C211 E212 Y215 D222	V168-C179 HydrophobicContact CB-CB 3.84Å; V168-C179 HydrophobicContact CG2-CB 3.87Å; S169-C179 WeakPolarHBondContact O-CA 3.41Å; S169-C179 WeakPolarHBondContact O-CB 3.38Å; S169-C179 PolarHBondContact O-N 3.45Å; S169-C179 PolarHBondContact OG-N 3.27Å; C179-C211 HydrophobicContact CB-CB 3.81Å; C179-C211 WeakPolarHBondContact CB-SG 3.19Å; C179-C211 CarbonylContact O-C 3.58Å; C179-C211 WeakPolarHBondContact O-CA 3.33Å; C179-C211 WeakPolarHBondContact O-CB 3.17Å; C179-C211 WeakPolarHBondContact SG-CA 3.48Å; C179-C211 WeakPolarHBondContact SG-CB 3.46Å; C179-C211 CovalentContact SG-SG 2.03Å; C179-C211 PolarHBondContact SG-SG 3.09Å; C179-E212 PolarHBondContact O-N 2.6Å; C179-Y215 HydrophobicContact CB-CD1 3.98Å; C179-Y215 HydrophobicContact CB-CE1 3.77Å; C179-D222 HydrophobicContact CB-CB 4.32Å; C179-D222 WeakPolarHBondContact CB-OD2 3.29Å
180	R	98.7	Very high	94.1	Very high	19 Å²	19	39.1 Å²	39.1	7%	0.072	21%	0.207	C	C	.	.	S	Bend	trans	-133.6	81.4	-179.2	-65.4	-166.7	70.8	-155.2	-5.3	111	S134 E136 T140 V168 S169 G170 S208	S134-R180 WeakPolarHBondContact CB-O 3.32Å; S134-R180 PolarHBondContact OG-O 2.76Å; E136-R180 HydrophobicContact CG-CB 4.34Å; E136-R180 IonicContact OE1-NH2 2.69Å; E136-R180 PolarHBondContact OE1-NH2 3.09Å; T140-R180 PolarHBondContact OG1-NH1 2.97Å; V168-R180 HydrophobicContact CG2-CB 4.11Å; V168-R180 HydrophobicContact CG2-CG 4.06Å; S169-R180 PolarHBondContact O-N 3.18Å; G170-R180 VanDerWaalsContact CA-O 3.24Å; G170-R180 WeakPolarHBondContact CA-O 3.24Å; R180-S208 VanDerWaalsContact CD-O 3.26Å; R180-S208 WeakPolarHBondContact CD-O 3.44Å; R180-S208 VanDerWaalsContact CZ-O 3.22Å; R180-S208 PolarHBondContact NE-O 2.99Å; R180-S208 VanDerWaalsContact NE-O 3.16Å; R180-S208 PolarHBondContact NH1-O 2.93Å
181	P	98.7	Very high	92.8	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.032	23%	0.231	C	C	.	.			trans	-53.1	157	167.5	-19.5	29.8	0	0	0	111.9	G171 S183 E212	G171-P181 WeakPolarHBondContact O-CA 3.36Å; P181-S183 PolarHBondContact O-N 3.31Å; P181-E212 WeakPolarHBondContact CD-OE1 3.41Å; P181-E212 WeakPolarHBondContact CG-OE1 3.22Å
182	Y	98.6	Very high	91.4	Very high	11 Å²	11	50.4 Å²	50.4	4%	0.043	27%	0.269	C	S	.	.			trans	-63.6	130.3	179	-158.4	-122.4	0	0	0	111.3	Q102 S107 F111 A135 E136 L139 G171 Y173 I184	Q102-Y182 PolarHBondContact O-OH 3.15Å; S107-Y182 PolarHBondContact OG-OH 3.47Å; F111-Y182 HydrophobicContact CE2-CD2 4.28Å; F111-Y182 HydrophobicContact CE2-CE1 4.08Å; F111-Y182 AromaticContact CE2-CE2 3.61Å; F111-Y182 HydrophobicContact CE2-CE2 3.61Å; F111-Y182 AromaticContact CE2-CZ 3.5Å; F111-Y182 VanDerWaalsContact CE2-CZ 3.5Å; F111-Y182 AromaticContact CZ-CD1 3.97Å; F111-Y182 HydrophobicContact CZ-CD1 3.97Å; F111-Y182 HydrophobicContact CZ-CD2 4.06Å; F111-Y182 AromaticContact CZ-CE1 3.64Å; F111-Y182 HydrophobicContact CZ-CE1 3.64Å; F111-Y182 AromaticContact CZ-CE2 3.76Å; F111-Y182 HydrophobicContact CZ-CE2 3.76Å; F111-Y182 HydrophobicContact CZ-CG 4.17Å; F111-Y182 AromaticContact CZ-CZ 3.55Å; A135-Y182 HydrophobicContact CB-CD2 4.01Å; A135-Y182 HydrophobicContact CB-CE2 4.19Å; E136-Y182 HydrophobicContact CB-CD2 4.17Å; L139-Y182 HydrophobicContact CD2-CE2 3.84Å; G171-Y182 PolarHBondContact O-N 3.09Å; Y173-Y182 VanDerWaalsContact CA-O 3.27Å; Y173-Y182 WeakPolarHBondContact CA-O 3.49Å; Y173-Y182 WeakPolarHBondContact CD2-O 3.2Å; Y182-I184 HydrophobicContact CD1-CB 4.12Å; Y182-I184 WeakPolarHBondContact CD1-O 3.44Å; Y182-I184 HydrophobicContact CE1-CB 3.56Å; Y182-I184 HydrophobicContact CE1-CD1 4.49Å; Y182-I184 HydrophobicContact CE1-CG1 4.24Å; Y182-I184 HydrophobicContact CE1-CG2 4.4Å
183	S	97.7	Very high	90.2	Very high	57 Å²	57	49.8 Å²	49.8	40%	0.399	28%	0.279	S	S	.	.			trans	-93.4	-13.6	-174.1	66.6	0	0	0	0	114.3	E136 Y173 P181 P205	E136-S183 PolarHBondContact OE1-OG 2.84Å; E136-S183 VanDerWaalsContact OE1-OG 3.14Å; E136-S183 WeakPolarHBondContact OE2-CB 3.48Å; E136-S183 PolarHBondContact OE2-N 2.79Å; E136-S183 PolarHBondContact OE2-OG 2.62Å; Y173-S183 WeakPolarHBondContact CE2-O 3.33Å; P181-S183 PolarHBondContact O-N 3.31Å; S183-P205 WeakPolarHBondContact OG-CG 3.37Å
184	I	96.6	Very high	89.2	Confident	24 Å²	24	51.8 Å²	51.8	12%	0.123	31%	0.305	C	S	.	.	S	Bend	trans	-90.4	124.5	-177.7	-54.5	-178.6	0	0	0	108.5	C105 L139 Y182 P205	C105-I184 HydrophobicContact CB-CD1 3.53Å; C105-I184 HydrophobicContact CB-CG2 4.45Å; L139-I184 HydrophobicContact CD2-CD1 4.2Å; Y182-I184 HydrophobicContact CD1-CB 4.12Å; Y182-I184 WeakPolarHBondContact CD1-O 3.44Å; Y182-I184 HydrophobicContact CE1-CB 3.56Å; Y182-I184 HydrophobicContact CE1-CD1 4.49Å; Y182-I184 HydrophobicContact CE1-CG1 4.24Å; Y182-I184 HydrophobicContact CE1-CG2 4.4Å; I184-P205 HydrophobicContact CD1-CG 4.1Å; I184-P205 HydrophobicContact CG1-CG 4.04Å
185	P	94.4	Very high	88.5	Confident	47 Å²	47	48.8 Å²	48.8	31%	0.305	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-68.3	146.2	-176.9	27	-34.2	0	0	0	111.8	Y173 P196	Y173-P185 HydrophobicContact CD1-CB 4.3Å; Y173-P185 HydrophobicContact CD2-CB 4.35Å; Y173-P185 HydrophobicContact CE1-CB 3.9Å; Y173-P185 HydrophobicContact CE2-CB 3.98Å; P185-P196 HydrophobicContact CB-CG 4.45Å
186	P	92.9	Very high	87.7	Confident	28 Å²	28	49.9 Å²	49.9	18%	0.182	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-61.8	149	163.2	30.9	-35.7	0	0	0	108.9	D101 P196	D101-P186 HydrophobicContact CB-CB 4.16Å; D101-P186 WeakPolarHBondContact OD2-CA 3.2Å; D101-P186 WeakPolarHBondContact OD2-CB 3.31Å; P186-P196 WeakPolarHBondContact O-CD 3.47Å
187	C	86.8	Confident	87	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.027	30%	0.296	C	S	.	.			trans	-118.8	159.5	-179.1	72.6	0	0	0	0	111.7	Y54 H189 P196 C198	Y54-C187 WeakPolarHBondContact CE2-SG 3.47Å; Y54-C187 PolarHBondContact OH-SG 2.78Å; C187-H189 PolarHBondContact O-CD2 3.26Å; C187-H189 PolarHBondContact O-N 3.32Å; C187-P196 CarbonylContact C-O 3.31Å; C187-P196 WeakPolarHBondContact CA-O 3.5Å; C187-P196 WeakPolarHBondContact CB-O 3.12Å; C187-C198 HydrophobicContact CB-CB 3.87Å; C187-C198 WeakPolarHBondContact CB-SG 3.32Å; C187-C198 WeakPolarHBondContact SG-CA 3.34Å; C187-C198 WeakPolarHBondContact SG-CB 3.39Å; C187-C198 CovalentContact SG-SG 2.03Å; C187-C198 PolarHBondContact SG-SG 2.86Å
188	E	79.1	Confident	86.3	Confident	29 Å²	29	45.8 Å²	45.8	14%	0.136	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-87.7	110.3	-176.2	-138.3	109.7	-111.3	0	0	111.3	V191 G193 S194 R195 P196 C198	E188-V191 WeakPolarHBondContact CG-O 3.03Å; E188-G193 VanDerWaalsContact CD-C 3.49Å; E188-G193 WeakPolarHBondContact OE2-CA 3.47Å; E188-G193 PolarHBondContact OE2-N 2.9Å; E188-G193 VanDerWaalsContact OE2-N 3.15Å; E188-S194 PolarHBondContact OE2-N 3.04Å; E188-R195 HydrophobicContact CB-CB 3.98Å; E188-R195 VanDerWaalsContact CD-CB 3.41Å; E188-R195 HydrophobicContact CG-CB 4.25Å; E188-R195 WeakPolarHBondContact OE1-CB 3.46Å; E188-R195 WeakPolarHBondContact OE1-CD 3.47Å; E188-R195 WeakPolarHBondContact OE1-CG 3.32Å; E188-R195 PolarHBondContact OE1-N 3.12Å; E188-R195 VanDerWaalsContact OE1-N 3.16Å; E188-R195 WeakPolarHBondContact OE2-CA 3.44Å; E188-R195 PolarHBondContact OE2-N 3.3Å; E188-P196 PolarHBondContact N-O 2.88Å; E188-C198 VanDerWaalsContact C-SG 3.53Å; E188-C198 PolarHBondContact O-SG 2.97Å; E188-C198 VanDerWaalsContact O-SG 3.39Å
189	H	80.2	Confident	85.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	30%	0.297	C	S	.	.			trans	-124.1	-15.6	177.5	53.6	80.2	0	0	0	115.3	N46 F47 Y48 V50 Y54 C187 D303	N46-H189 CarbonylContact O-C 3.53Å; N46-H189 PolarHBondContact O-ND1 3.04Å; F47-H189 CarbonylContact C-O 3.38Å; F47-H189 WeakPolarHBondContact CA-O 3.39Å; F47-H189 HydrophobicContact CD1-CB 3.64Å; F47-H189 AromaticContact CD1-CG 3.81Å; F47-H189 AromaticContact CD1-ND1 3.87Å; F47-H189 HydrophobicContact CE1-CB 4.18Å; F47-H189 AromaticContact CE1-CG 3.87Å; F47-H189 AromaticContact CE1-ND1 3.78Å; Y48-H189 PolarHBondContact N-O 2.69Å; V50-H189 HydrophobicContact CG1-CB 3.63Å; Y54-H189 HydrophobicContact CE1-CB 4.42Å; Y54-H189 PolarHBondContact OH-CD2 3.49Å; C187-H189 PolarHBondContact O-CD2 3.26Å; C187-H189 PolarHBondContact O-N 3.32Å; H189-D303 IonicContact CE1-OD1 3.36Å; H189-D303 PolarHBondContact CE1-OD1 3.2Å; H189-D303 IonicContact NE2-OD1 3.13Å
190	H	72.9	Confident	84.6	Confident	49 Å²	49	49.2 Å²	49.2	23%	0.227	30%	0.303	C	S	.	.	S	Bend	trans	-101.3	-30.9	-173.2	73.6	-77.1	0	0	0	114.5	N46 Y48 D303	N46-H190 WeakPolarHBondContact O-CA 3.24Å; Y48-H190 WeakPolarHBondContact CD2-O 3.21Å; Y48-H190 WeakPolarHBondContact CE2-O 3.18Å; H190-D303 HydrophobicContact CB-CB 4.31Å; H190-D303 IonicContact CE1-OD2 3.44Å; H190-D303 PolarHBondContact CE1-OD2 3.15Å; H190-D303 IonicContact CG-OD2 2.69Å; H190-D303 VanDerWaalsContact ND1-CG 3.26Å; H190-D303 IonicContact ND1-OD2 2.56Å; H190-D303 PolarHBondContact ND1-OD2 3.49Å; H190-D303 IonicContact NE2-OD2 3.27Å
191	V	71.3	Confident	83.5	Confident	84 Å²	84	56 Å²	56	51%	0.509	34%	0.335	S	S	.	.	S	Bend	trans	-155.9	168.9	176.8	-64.1	0	0	0	0	109.4	E188 G193	E188-V191 WeakPolarHBondContact CG-O 3.03Å; V191-G193 PolarHBondContact O-N 3.42Å
192	N	69.4	Low	82.9	Confident	157 Å²	157	57.6 Å²	57.6	84%	0.84	35%	0.353	S	S	*	.	S	Bend	trans	-63.7	123.6	165.4	-81.2	-11	0	0	0	109.8
193	G	72.1	Confident	82.7	Confident	54 Å²	54	64.3 Å²	64.3	56%	0.557	39%	0.39	S	S	*	.			trans	-141	-146	176.6	0	0	0	0	0	112.2	E188 V191	E188-G193 VanDerWaalsContact CD-C 3.49Å; E188-G193 WeakPolarHBondContact OE2-CA 3.47Å; E188-G193 PolarHBondContact OE2-N 2.9Å; E188-G193 VanDerWaalsContact OE2-N 3.15Å; V191-G193 PolarHBondContact O-N 3.42Å
194	S	76.9	Confident	82.7	Confident	126 Å²	126	63.7 Å²	63.7	88%	0.881	38%	0.383	S	S	*	.	S	Bend	trans	-106.8	-7	178.9	57.8	0	0	0	0	115.5	E188	E188-S194 PolarHBondContact OE2-N 3.04Å
195	R	80.2	Confident	82.7	Confident	72 Å²	72	64.1 Å²	64.1	27%	0.272	39%	0.388	S	S	.	.	S	Bend	trans	-75.2	157	175.6	-55.7	170.2	-176.4	165.1	4.5	111.4	E188 N301 D303	E188-R195 HydrophobicContact CB-CB 3.98Å; E188-R195 VanDerWaalsContact CD-CB 3.41Å; E188-R195 HydrophobicContact CG-CB 4.25Å; E188-R195 WeakPolarHBondContact OE1-CB 3.46Å; E188-R195 WeakPolarHBondContact OE1-CD 3.47Å; E188-R195 WeakPolarHBondContact OE1-CG 3.32Å; E188-R195 PolarHBondContact OE1-N 3.12Å; E188-R195 VanDerWaalsContact OE1-N 3.16Å; E188-R195 WeakPolarHBondContact OE2-CA 3.44Å; E188-R195 PolarHBondContact OE2-N 3.3Å; R195-N301 VanDerWaalsContact CZ-ND2 3.29Å; R195-N301 PolarHBondContact NH1-ND2 3.04Å; R195-N301 VanDerWaalsContact NH1-ND2 3.15Å; R195-N301 PolarHBondContact NH2-ND2 3.41Å; R195-N301 PolarHBondContact NH2-OD1 3.4Å; R195-D303 IonicContact CZ-OD2 3.95Å; R195-D303 IonicContact NH1-OD2 3.78Å; R195-D303 PolarHBondContact NH1-OD2 3.42Å; R195-D303 IonicContact NH2-OD2 2.99Å
196	P	82.1	Confident	82.9	Confident	65 Å²	65	70.6 Å²	70.6	42%	0.422	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-63.1	155.7	175.9	-22.4	34.2	0	0	0	113.3	P185 P186 C187 E188	P185-P196 HydrophobicContact CB-CG 4.45Å; P186-P196 WeakPolarHBondContact O-CD 3.47Å; C187-P196 CarbonylContact C-O 3.31Å; C187-P196 WeakPolarHBondContact CA-O 3.5Å; C187-P196 WeakPolarHBondContact CB-O 3.12Å; E188-P196 PolarHBondContact N-O 2.88Å
197	P	82.8	Confident	83.2	Confident	109 Å²	109	71.9 Å²	71.9	71%	0.708	42%	0.42	S	S	*	.	B	Isolated β-bridge	trans	-58.8	138.8	170.6	-21.5	32.3	0	0	0	112.1	T199	P197-T199 PolarHBondContact O-N 3.02Å
198	C	84	Confident	83.7	Confident	10 Å²	10	74.4 Å²	74.4	7%	0.068	44%	0.438	C	S	.	.			trans	-74.2	111.5	175	-62.6	0	0	0	0	111.6	V50 Y54 C187 E188	V50-C198 HydrophobicContact CB-CB 4.47Å; V50-C198 HydrophobicContact CG1-CB 3.95Å; Y54-C198 HydrophobicContact CD1-CB 3.73Å; Y54-C198 HydrophobicContact CD2-CB 3.8Å; Y54-C198 HydrophobicContact CE1-CB 3.71Å; Y54-C198 HydrophobicContact CE2-CB 3.8Å; Y54-C198 HydrophobicContact CG-CB 3.76Å; Y54-C198 VanDerWaalsContact CZ-SG 3.55Å; C187-C198 HydrophobicContact CB-CB 3.87Å; C187-C198 WeakPolarHBondContact CB-SG 3.32Å; C187-C198 WeakPolarHBondContact SG-CA 3.34Å; C187-C198 WeakPolarHBondContact SG-CB 3.39Å; C187-C198 CovalentContact SG-SG 2.03Å; C187-C198 PolarHBondContact SG-SG 2.86Å; E188-C198 VanDerWaalsContact C-SG 3.53Å; E188-C198 PolarHBondContact O-SG 2.97Å; E188-C198 VanDerWaalsContact O-SG 3.39Å
199	T	82.7	Confident	84.6	Confident	72 Å²	72	80.1 Å²	80.1	44%	0.442	46%	0.462	S	S	.	.			trans	-105.4	154.2	170.6	68.6	0	0	0	0	110.1	Y54 S104 P197 E201	Y54-T199 WeakPolarHBondContact CD2-O 3.44Å; S104-T199 WeakPolarHBondContact CB-O 3.27Å; S104-T199 PolarHBondContact OG-N 2.92Å; S104-T199 PolarHBondContact OG-O 2.64Å; P197-T199 PolarHBondContact O-N 3.02Å; T199-E201 PolarHBondContact O-N 3.22Å; T199-E201 PolarHBondContact OG1-O 3.38Å
200	G	77.8	Confident	85.5	Confident	11 Å²	11	85.8 Å²	85.8	11%	0.113	49%	0.491	C	S	.	.	S	Bend	trans	-83.8	13.1	170.2	0	0	0	0	0	113.6	S53 R57	S53-G200 WeakPolarHBondContact OG-CA 3.44Å; R57-G200 WeakPolarHBondContact CD-O 3.33Å
201	E	77.1	Confident	86.8	Confident	160 Å²	160	84.4 Å²	84.4	75%	0.748	49%	0.487	S	S	*	.			trans	-111.2	143	-176.2	-61	-159.7	160.9	0	0	110.6	T199	T199-E201 PolarHBondContact O-N 3.22Å; T199-E201 PolarHBondContact OG1-O 3.38Å
202	G	84.4	Confident	88	Confident	39 Å²	39	83.9 Å²	83.9	40%	0.402	48%	0.479	S	S	.	.			trans	156.7	129.5	177.4	0	0	0	0	0	111.7	R57	R57-G202 PolarHBondContact NH2-O 3.21Å
203	D	94.2	Very high	89.4	Confident	153 Å²	153	82.7 Å²	82.7	82%	0.818	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-80.5	154.2	179.7	-67.7	-40.4	0	0	0	112	P205	D203-P205 WeakPolarHBondContact O-CD 3.45Å
204	T	97.8	Very high	90.6	Very high	44 Å²	44	84.3 Å²	84.3	27%	0.27	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-62.4	124.7	168	-52.1	0	0	0	0	109.3	L139 G149 C150	L139-T204 HydrophobicContact CD1-CG2 4.14Å; L139-T204 HydrophobicContact CG-CG2 4.14Å; G149-T204 WeakPolarHBondContact CA-OG1 3.48Å; C150-T204 PolarHBondContact N-OG1 2.88Å
205	P	98	Very high	91.6	Very high	33 Å²	33	81.7 Å²	81.7	21%	0.214	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-59	157.2	176.2	-20.7	30.4	0	0	0	111.9	T140 S183 I184 D203	T140-P205 WeakPolarHBondContact CB-O 3.48Å; T140-P205 HydrophobicContact CG2-CB 3.8Å; T140-P205 HydrophobicContact CG2-CG 4.27Å; T140-P205 WeakPolarHBondContact CG2-O 3.49Å; S183-P205 WeakPolarHBondContact OG-CG 3.37Å; I184-P205 HydrophobicContact CD1-CG 4.1Å; I184-P205 HydrophobicContact CG1-CG 4.04Å; D203-P205 WeakPolarHBondContact O-CD 3.45Å
206	K	98.1	Very high	92.4	Very high	182 Å²	182	83.2 Å²	83.2	79%	0.791	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-74.2	143.5	-179.5	-64.5	-175.6	-178.1	177.8	0	111.1	S208	K206-S208 PolarHBondContact O-N 3.48Å
207	C	98.6	Very high	93.1	Very high	55 Å²	55	82.4 Å²	82.4	37%	0.372	48%	0.484	S	S	.	.			trans	-62.4	102.5	169.9	178.6	0	0	0	0	111.5	T140 C141	T140-C207 WeakPolarHBondContact O-CB 3.23Å; C141-C207 VanDerWaalsContact CA-SG 3.56Å; C141-C207 HydrophobicContact CB-CB 4Å; C141-C207 WeakPolarHBondContact CB-SG 3.37Å; C141-C207 VanDerWaalsContact SG-CA 3.54Å; C141-C207 WeakPolarHBondContact SG-CB 3.39Å; C141-C207 CovalentContact SG-SG 2.04Å; C141-C207 PolarHBondContact SG-SG 3.13Å
208	S	98.4	Very high	93.8	Very high	57 Å²	57	81 Å²	81	40%	0.399	47%	0.474	S	S	.	.			trans	-103	106.1	174.9	-70.6	0	0	0	0	109.6	R180 K206 I210	R180-S208 VanDerWaalsContact CD-O 3.26Å; R180-S208 WeakPolarHBondContact CD-O 3.44Å; R180-S208 VanDerWaalsContact CZ-O 3.22Å; R180-S208 PolarHBondContact NE-O 2.99Å; R180-S208 VanDerWaalsContact NE-O 3.16Å; R180-S208 PolarHBondContact NH1-O 2.93Å; K206-S208 PolarHBondContact O-N 3.48Å; S208-I210 PolarHBondContact O-N 2.7Å
209	K	98.6	Very high	94.5	Very high	149 Å²	149	81.6 Å²	81.6	65%	0.648	48%	0.475	S	S	*	.			trans	-83.5	49.4	-179.2	-63.9	-177.8	179.4	172	0	112.5	Y219	K209-Y219 HydrophobicContact CB-CD1 3.94Å; K209-Y219 HydrophobicContact CB-CE1 3.75Å; K209-Y219 HydrophobicContact CB-CE2 4.42Å; K209-Y219 HydrophobicContact CB-CG 4.37Å; K209-Y219 HydrophobicContact CD-CE1 4.31Å; K209-Y219 HydrophobicContact CG-CE1 3.89Å
210	I	98.6	Very high	95.2	Very high	121 Å²	121	86.5 Å²	86.5	62%	0.621	49%	0.49	S	S	*	.	S	Bend	trans	-143.8	145	-178.8	-169.1	167.3	0	0	0	108.8	S208	S208-I210 PolarHBondContact O-N 2.7Å
211	C	98.7	Very high	96.1	Very high	19 Å²	19	91.4 Å²	91.4	13%	0.128	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-82.5	160.8	174.2	-55.6	0	0	0	0	111.1	C179 Y215 Y219	C179-C211 HydrophobicContact CB-CB 3.81Å; C179-C211 WeakPolarHBondContact CB-SG 3.19Å; C179-C211 CarbonylContact O-C 3.58Å; C179-C211 WeakPolarHBondContact O-CA 3.33Å; C179-C211 WeakPolarHBondContact O-CB 3.17Å; C179-C211 WeakPolarHBondContact SG-CA 3.48Å; C179-C211 WeakPolarHBondContact SG-CB 3.46Å; C179-C211 CovalentContact SG-SG 2.03Å; C179-C211 PolarHBondContact SG-SG 3.09Å; C211-Y215 HydrophobicContact CB-CD1 3.9Å; C211-Y215 HydrophobicContact CB-CG 4.46Å; C211-Y219 WeakPolarHBondContact SG-CA 3.36Å; C211-Y219 PolarHBondContact SG-N 3.45Å
212	E	98	Very high	97.1	Very high	73 Å²	73	84.3 Å²	84.3	34%	0.341	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-56.2	144	170.6	-83.2	-172	-162	0	0	111.8	H176 C179 P181 G214 Y215	H176-E212 IonicContact ND1-OE2 3.51Å; H176-E212 PolarHBondContact ND1-OE2 2.97Å; C179-E212 PolarHBondContact O-N 2.6Å; P181-E212 WeakPolarHBondContact CD-OE1 3.41Å; P181-E212 WeakPolarHBondContact CG-OE1 3.22Å; E212-G214 PolarHBondContact O-N 2.75Å; E212-Y215 WeakPolarHBondContact O-CB 3.2Å; E212-Y215 PolarHBondContact O-N 3.28Å
213	P	97.8	Very high	97.8	Very high	133 Å²	133	83.3 Å²	83.3	86%	0.864	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	138.3	174.7	-24.2	34.1	0	0	0	112	Y215	P213-Y215 VanDerWaalsContact C-N 3.31Å
214	G	97.2	Very high	98	Very high	88 Å²	88	77 Å²	77	91%	0.907	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-14.5	-177.8	0	0	0	0	0	114.2	E212	E212-G214 PolarHBondContact O-N 2.75Å
215	Y	98.1	Very high	98	Very high	71 Å²	71	77.9 Å²	77.9	28%	0.278	43%	0.426	S	S	.	.			trans	-81.7	144.4	172.6	-170.5	-97	0	0	0	112.2	S169 G178 C179 C211 E212 P213 P217 D222	S169-Y215 PolarHBondContact OG-OH 3.4Å; S169-Y215 VanDerWaalsContact OG-OH 3.05Å; G178-Y215 VanDerWaalsContact C-CE2 3.47Å; G178-Y215 VanDerWaalsContact CA-CE2 3.48Å; G178-Y215 WeakPolarHBondContact O-CD2 3.5Å; C179-Y215 HydrophobicContact CB-CD1 3.98Å; C179-Y215 HydrophobicContact CB-CE1 3.77Å; C211-Y215 HydrophobicContact CB-CD1 3.9Å; C211-Y215 HydrophobicContact CB-CG 4.46Å; E212-Y215 WeakPolarHBondContact O-CB 3.2Å; E212-Y215 PolarHBondContact O-N 3.28Å; P213-Y215 VanDerWaalsContact C-N 3.31Å; Y215-P217 WeakPolarHBondContact CD1-O 3.42Å; Y215-D222 HydrophobicContact CE1-CB 4.39Å; Y215-D222 WeakPolarHBondContact CE1-OD1 3.47Å; Y215-D222 PolarHBondContact OH-OD1 2.65Å
216	S	97.3	Very high	98	Very high	104 Å²	104	76.6 Å²	76.6	73%	0.727	42%	0.419	S	S	*	.			trans	-141.2	139.2	165.5	-73.9	0	0	0	0	107.7
217	P	96.6	Very high	97.9	Very high	47 Å²	47	76.2 Å²	76.2	31%	0.305	41%	0.414	S	S	.	.	S	Bend	cis	-86.6	-173.4	17.9	37.6	-39.9	0	0	0	114.7	Y215 Q221 D222	Y215-P217 WeakPolarHBondContact CD1-O 3.42Å; P217-Q221 HydrophobicContact CB-CB 3.73Å; P217-Q221 HydrophobicContact CG-CB 4.13Å; P217-D222 HydrophobicContact CG-CB 4.06Å
218	T	98.3	Very high	97.8	Very high	80 Å²	80	76.6 Å²	76.6	49%	0.491	41%	0.412	S	S	.	.			trans	-69.5	160	177.5	66.2	0	0	0	0	112.3	K220 Q221 D222	T218-K220 PolarHBondContact O-N 3.31Å; T218-Q221 VanDerWaalsContact N-OE1 3.07Å; T218-Q221 WeakPolarHBondContact O-CA 3.16Å; T218-Q221 WeakPolarHBondContact O-CB 3.41Å; T218-Q221 PolarHBondContact O-N 3.08Å; T218-Q221 VanDerWaalsContact OG1-CD 3.29Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.18Å; T218-Q221 PolarHBondContact OG1-OE1 3.32Å; T218-D222 PolarHBondContact O-N 3.37Å
219	Y	98.6	Very high	97.8	Very high	22 Å²	22	74.6 Å²	74.6	9%	0.086	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-40.4	179.2	172.8	-87.9	0	0	0	114.1	D137 V168 K209 C211 K223	D137-Y219 WeakPolarHBondContact OD1-CE2 3.45Å; D137-Y219 PolarHBondContact OD1-OH 2.5Å; V168-Y219 HydrophobicContact CG1-CD2 3.64Å; V168-Y219 HydrophobicContact CG1-CE2 3.7Å; V168-Y219 HydrophobicContact CG1-CG 4.18Å; V168-Y219 VanDerWaalsContact CG1-O 3.22Å; V168-Y219 WeakPolarHBondContact CG1-O 2.94Å; V168-Y219 HydrophobicContact CG2-CD2 4.3Å; V168-Y219 HydrophobicContact CG2-CE2 4.18Å; K209-Y219 HydrophobicContact CB-CD1 3.94Å; K209-Y219 HydrophobicContact CB-CE1 3.75Å; K209-Y219 HydrophobicContact CB-CE2 4.42Å; K209-Y219 HydrophobicContact CB-CG 4.37Å; K209-Y219 HydrophobicContact CD-CE1 4.31Å; K209-Y219 HydrophobicContact CG-CE1 3.89Å; C211-Y219 WeakPolarHBondContact SG-CA 3.36Å; C211-Y219 PolarHBondContact SG-N 3.45Å; Y219-K223 VanDerWaalsContact CZ-CE 3.48Å; Y219-K223 WeakPolarHBondContact OH-CE 3.33Å; Y219-K223 PolarHBondContact OH-NZ 2.77Å; Y219-K223 VanDerWaalsContact OH-NZ 3.12Å
220	K	97.8	Very high	97.8	Very high	175 Å²	175	68 Å²	68	76%	0.761	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-33.6	179	-70.3	-177.8	-179.2	175.9	0	112.8	T218	T218-K220 PolarHBondContact O-N 3.31Å
221	Q	96.8	Very high	97.8	Very high	115 Å²	115	63 Å²	63	54%	0.537	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-25	-178.6	-72.2	168.5	-44.2	0	0	112.5	P217 T218 K223	P217-Q221 HydrophobicContact CB-CB 3.73Å; P217-Q221 HydrophobicContact CG-CB 4.13Å; T218-Q221 VanDerWaalsContact N-OE1 3.07Å; T218-Q221 WeakPolarHBondContact O-CA 3.16Å; T218-Q221 WeakPolarHBondContact O-CB 3.41Å; T218-Q221 PolarHBondContact O-N 3.08Å; T218-Q221 VanDerWaalsContact OG1-CD 3.29Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.18Å; T218-Q221 PolarHBondContact OG1-OE1 3.32Å; Q221-K223 VanDerWaalsContact C-N 3.31Å
222	D	97.7	Very high	97.7	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.059	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.1	178.8	-156.7	67.1	0	0	0	113.5	V168 S169 C179 Y215 P217 T218 H224	V168-D222 HydrophobicContact CB-CB 4.3Å; V168-D222 HydrophobicContact CG1-CB 4.21Å; S169-D222 VanDerWaalsContact CB-OD2 3.3Å; S169-D222 WeakPolarHBondContact CB-OD2 3.48Å; S169-D222 PolarHBondContact N-OD2 2.94Å; S169-D222 PolarHBondContact OG-OD2 3.22Å; C179-D222 HydrophobicContact CB-CB 4.32Å; C179-D222 WeakPolarHBondContact CB-OD2 3.29Å; Y215-D222 HydrophobicContact CE1-CB 4.39Å; Y215-D222 WeakPolarHBondContact CE1-OD1 3.47Å; Y215-D222 PolarHBondContact OH-OD1 2.65Å; P217-D222 HydrophobicContact CG-CB 4.06Å; T218-D222 PolarHBondContact O-N 3.37Å; D222-H224 PolarHBondContact O-CD2 3.32Å; D222-H224 PolarHBondContact O-N 3.42Å; D222-H224 PolarHBondContact O-NE2 2.9Å
223	K	98.2	Very high	97.6	Very high	18 Å²	18	59.6 Å²	59.6	8%	0.078	33%	0.329	C	S	.	.			trans	-70.6	126.3	-179.4	-80.1	-73	-171.9	-179	0	112	D137 K165 G166 V168 Y219 Q221 Y225	D137-K223 IonicContact OD1-NZ 2.57Å; D137-K223 IonicContact OD2-NZ 3.81Å; D137-K223 PolarHBondContact OD2-NZ 3.47Å; K165-K223 WeakPolarHBondContact O-CD 3.33Å; G166-K223 VanDerWaalsContact C-CD 3.42Å; G166-K223 WeakPolarHBondContact O-CD 3.33Å; G166-K223 PolarHBondContact O-NZ 3.3Å; V168-K223 HydrophobicContact CG1-CD 3.76Å; V168-K223 HydrophobicContact CG1-CG 3.96Å; Y219-K223 VanDerWaalsContact CZ-CE 3.48Å; Y219-K223 WeakPolarHBondContact OH-CE 3.33Å; Y219-K223 PolarHBondContact OH-NZ 2.77Å; Y219-K223 VanDerWaalsContact OH-NZ 3.12Å; Q221-K223 VanDerWaalsContact C-N 3.31Å; K223-Y225 HydrophobicContact CB-CD2 4.31Å; K223-Y225 HydrophobicContact CB-CE2 3.49Å; K223-Y225 VanDerWaalsContact CB-CE2 3.49Å; K223-Y225 WeakPolarHBondContact O-CD2 3.49Å; K223-Y225 WeakPolarHBondContact O-CE2 3.24Å
224	H	98.3	Very high	97.6	Very high	19 Å²	19	57.6 Å²	57.6	9%	0.088	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-101.3	124.9	171.5	-60.5	-95	0	0	0	110.1	I121 W162 G166 L167 D222 Y335	I121-H224 HydrophobicContact CD1-CB 4.04Å; W162-H224 PolarHBondContact NE1-O 3.03Å; G166-H224 CarbonylContact C-O 3.5Å; G166-H224 WeakPolarHBondContact CA-O 3.39Å; L167-H224 PolarHBondContact N-O 2.83Å; L167-H224 WeakPolarHBondContact O-CB 3.33Å; L167-H224 PolarHBondContact O-N 2.97Å; D222-H224 PolarHBondContact O-CD2 3.32Å; D222-H224 PolarHBondContact O-N 3.42Å; D222-H224 PolarHBondContact O-NE2 2.9Å; H224-Y335 AromaticContact CE1-CE1 3.74Å; H224-Y335 AromaticContact ND1-CE1 3.29Å; H224-Y335 VanDerWaalsContact ND1-CE1 3.29Å; H224-Y335 WeakPolarHBondContact ND1-CE1 3.46Å; H224-Y335 AromaticContact ND1-CZ 3.49Å; H224-Y335 PolarHBondContact ND1-OH 2.8Å
225	Y	98.4	Very high	97.5	Very high	64 Å²	64	55.2 Å²	55.2	25%	0.251	28%	0.281	S	S	.	.			trans	-108.3	147.2	-176.2	-63.2	-98.6	0	0	0	112.9	K165 K223 R331 Q334	K165-Y225 VanDerWaalsContact C-CE1 3.43Å; K165-Y225 WeakPolarHBondContact O-CE1 3.31Å; K223-Y225 HydrophobicContact CB-CD2 4.31Å; K223-Y225 HydrophobicContact CB-CE2 3.49Å; K223-Y225 VanDerWaalsContact CB-CE2 3.49Å; K223-Y225 WeakPolarHBondContact O-CD2 3.49Å; K223-Y225 WeakPolarHBondContact O-CE2 3.24Å; Y225-R331 VanDerWaalsContact O-CB 3.32Å; Y225-R331 WeakPolarHBondContact O-CB 3.42Å; Y225-R331 PolarHBondContact O-N 3.37Å; Y225-Q334 PolarHBondContact O-NE2 3.35Å
226	G	98.1	Very high	97.5	Very high	6 Å²	6	55.1 Å²	55.1	6%	0.062	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	148.2	166.3	0	0	0	0	0	112	W162	W162-G226 VanDerWaalsContact CD2-CA 3.48Å; W162-G226 VanDerWaalsContact CH2-CA 3.41Å; W162-G226 VanDerWaalsContact CZ3-CA 3.49Å; W162-G226 PolarHBondContact O-N 2.66Å
227	Y	96.8	Very high	97.5	Very high	174 Å²	174	54.2 Å²	54.2	68%	0.682	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	-45	171.6	-172.5	-93.3	0	0	0	111.1	I329	Y227-I329 WeakPolarHBondContact CB-O 3.26Å; Y227-I329 PolarHBondContact N-O 3.47Å
228	N	96.1	Very high	97.5	Very high	63 Å²	63	53.1 Å²	53.1	34%	0.337	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	166.7	177.6	60.5	12.2	0	0	0	111.6	G328 I329	N228-G328 WeakPolarHBondContact O-CA 3.27Å; N228-I329 PolarHBondContact O-N 2.57Å; N228-I329 PolarHBondContact OD1-N 2.02Å
229	S	97.6	Very high	97.5	Very high	15 Å²	15	49.3 Å²	49.3	11%	0.105	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.5	168.3	58.7	0	0	0	0	108.7	N160 A327	N160-S229 PolarHBondContact OD1-OG 3.02Å; S229-A327 CarbonylContact C-O 3.25Å; S229-A327 WeakPolarHBondContact CA-O 3.02Å
230	Y	98.4	Very high	97.5	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	155.4	-178	49.9	-96.1	0	0	0	111.7	P69 R71 R120 E242 V326 A327 G328 I329	P69-Y230 CarbonylContact O-C 3.45Å; P69-Y230 WeakPolarHBondContact O-CA 3.14Å; P69-Y230 WeakPolarHBondContact O-CB 3.37Å; R71-Y230 HydrophobicContact CB-CD2 3.48Å; R71-Y230 VanDerWaalsContact CB-CD2 3.48Å; R71-Y230 HydrophobicContact CB-CE2 4.08Å; R71-Y230 HydrophobicContact CB-CG 3.81Å; R71-Y230 HydrophobicContact CG-CD2 4.2Å; R71-Y230 HydrophobicContact CG-CE2 4.36Å; R71-Y230 HydrophobicContact CG-CG 4.49Å; R71-Y230 PolarHBondContact NH1-OH 3.46Å; R120-Y230 PolarHBondContact NH1-OH 2.97Å; Y230-E242 PolarHBondContact OH-OE1 2.89Å; Y230-V326 WeakPolarHBondContact O-CA 3.32Å; Y230-A327 HydrophobicContact CD2-CB 4.17Å; Y230-A327 HydrophobicContact CE2-CB 3.51Å; Y230-A327 PolarHBondContact N-O 2.75Å; Y230-A327 PolarHBondContact O-N 3.06Å; Y230-G328 VanDerWaalsContact CE1-CA 3.45Å; Y230-I329 HydrophobicContact CE1-CG1 4.11Å
231	S	98.1	Very high	97.5	Very high	15 Å²	15	40.9 Å²	40.9	11%	0.105	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	144.2	167.1	-51.3	0	0	0	0	109.8	P68 P69 Q70 R71	P68-S231 WeakPolarHBondContact CD-OG 3.45Å; P68-S231 PolarHBondContact O-OG 2.81Å; P69-S231 PolarHBondContact O-N 2.89Å; Q70-S231 CarbonylContact C-O 3.49Å; Q70-S231 WeakPolarHBondContact CA-O 3.3Å; R71-S231 PolarHBondContact N-O 2.91Å
232	V	97.6	Very high	97.6	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.048	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-88.6	142.7	163.7	-170.7	0	0	0	0	107.9	D238 I239 E242 V325	V232-D238 HydrophobicContact CG1-CB 4.15Å; V232-I239 HydrophobicContact CB-CG1 4.43Å; V232-I239 HydrophobicContact CG1-CG1 3.86Å; V232-E242 HydrophobicContact CG1-CB 4.32Å; V232-E242 HydrophobicContact CG2-CB 4.11Å; V232-E242 HydrophobicContact CG2-CG 3.8Å; V232-V325 HydrophobicContact CB-CB 4.14Å; V232-V325 HydrophobicContact CB-CG1 3.9Å; V232-V325 HydrophobicContact CG2-CB 4.49Å; V232-V325 HydrophobicContact CG2-CG1 3.77Å; V232-V325 PolarHBondContact N-O 2.96Å
233	S	96.3	Very high	97.6	Very high	14 Å²	14	34.9 Å²	34.9	10%	0.098	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-56.7	146	174.5	25.3	0	0	0	0	110.8	S235 D238	S233-S235 PolarHBondContact O-N 3.46Å; S233-D238 WeakPolarHBondContact OG-CB 3.42Å; S233-D238 PolarHBondContact OG-OD2 3.13Å
234	N	96.7	Very high	97.6	Very high	90 Å²	90	38.2 Å²	38.2	48%	0.481	18%	0.182	S	C	.	.	S	Bend	trans	-70.9	72.9	170.9	176.7	-140.5	0	0	0	110	E322	N234-E322 WeakPolarHBondContact CA-O 3.44Å; N234-E322 WeakPolarHBondContact ND2-CB 3.39Å; N234-E322 PolarHBondContact ND2-O 3.3Å
235	S	96.8	Very high	97.5	Very high	39 Å²	39	41.4 Å²	41.4	27%	0.273	20%	0.196	S	C	.	.			trans	-150	116.3	-172.4	164.7	0	0	0	0	107.4	S233 K237 D238 I239	S233-S235 PolarHBondContact O-N 3.46Å; S235-K237 PolarHBondContact O-N 3.49Å; S235-D238 WeakPolarHBondContact CB-OD2 3.43Å; S235-D238 PolarHBondContact O-N 2.95Å; S235-D238 PolarHBondContact OG-N 3.21Å; S235-D238 PolarHBondContact OG-OD2 3.21Å; S235-D238 VanDerWaalsContact OG-OD2 3.05Å; S235-I239 WeakPolarHBondContact O-CG1 3.14Å; S235-I239 PolarHBondContact O-N 3.35Å
236	E	97.5	Very high	97.5	Very high	68 Å²	68	39.1 Å²	39.1	32%	0.318	19%	0.188	S	C	.	.	H	α-helix	trans	-47	-47.6	178	177.6	-174	-173.4	0	0	111.6	D238 I239 M240 W294 R314	E236-D238 PolarHBondContact O-N 2.81Å; E236-I239 PolarHBondContact O-N 2.81Å; E236-M240 HydrophobicContact CG-SD 3.95Å; E236-M240 VanDerWaalsContact O-CG 3.25Å; E236-M240 WeakPolarHBondContact O-CG 3.38Å; E236-M240 PolarHBondContact O-N 3.4Å; E236-W294 HydrophobicContact CG-CZ2 4.23Å; E236-R314 HydrophobicContact CG-CG 3.83Å; E236-R314 WeakPolarHBondContact OE1-CG 3.05Å; E236-R314 IonicContact OE1-CZ 3.91Å; E236-R314 IonicContact OE1-NE 3.99Å; E236-R314 IonicContact OE1-NH1 2.98Å; E236-R314 PolarHBondContact OE1-NH1 2.95Å
237	K	96.7	Very high	97.5	Very high	86 Å²	86	38.9 Å²	38.9	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-66.2	-37.1	-177.8	-167.2	179.3	-178.5	-169.1	0	112.5	T75 L80 S235 A241	T75-K237 WeakPolarHBondContact O-CE 3.42Å; T75-K237 PolarHBondContact O-NZ 2.71Å; L80-K237 HydrophobicContact CD1-CG 4.33Å; S235-K237 PolarHBondContact O-N 3.49Å; K237-A241 VanDerWaalsContact O-CB 3.26Å; K237-A241 WeakPolarHBondContact O-CB 3.43Å; K237-A241 PolarHBondContact O-N 2.79Å
238	D	97.1	Very high	97.6	Very high	23 Å²	23	30.6 Å²	30.6	12%	0.123	15%	0.153	C	C	.	.	H	α-helix	trans	-74	-38.3	-179.5	-64.7	-30.1	0	0	0	111.5	M73 T75 V232 S233 S235 E236 A241 E242	M73-D238 HydrophobicContact CB-CB 4.15Å; M73-D238 HydrophobicContact CG-CB 4.2Å; T75-D238 WeakPolarHBondContact CG2-OD1 3.5Å; T75-D238 PolarHBondContact OG1-OD1 2.98Å; V232-D238 HydrophobicContact CG1-CB 4.15Å; S233-D238 WeakPolarHBondContact OG-CB 3.42Å; S233-D238 PolarHBondContact OG-OD2 3.13Å; S235-D238 WeakPolarHBondContact CB-OD2 3.43Å; S235-D238 PolarHBondContact O-N 2.95Å; S235-D238 PolarHBondContact OG-N 3.21Å; S235-D238 PolarHBondContact OG-OD2 3.21Å; S235-D238 VanDerWaalsContact OG-OD2 3.05Å; E236-D238 PolarHBondContact O-N 2.81Å; D238-A241 PolarHBondContact O-N 2.65Å; D238-E242 WeakPolarHBondContact O-CB 3.36Å; D238-E242 PolarHBondContact O-N 3.05Å
239	I	98.3	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-47.2	173.7	-62.8	162.6	0	0	0	110.2	V232 S235 E236 A241 E242 I243 W294 E322 V325	V232-I239 HydrophobicContact CB-CG1 4.43Å; V232-I239 HydrophobicContact CG1-CG1 3.86Å; S235-I239 WeakPolarHBondContact O-CG1 3.14Å; S235-I239 PolarHBondContact O-N 3.35Å; E236-I239 PolarHBondContact O-N 2.81Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 3.29Å; I239-E242 PolarHBondContact O-N 3.05Å; I239-I243 HydrophobicContact CG2-CD1 3.97Å; I239-I243 WeakPolarHBondContact O-CG1 3.44Å; I239-I243 PolarHBondContact O-N 3.26Å; I239-W294 HydrophobicContact CB-CH2 3.72Å; I239-W294 HydrophobicContact CB-CZ2 4.1Å; I239-W294 HydrophobicContact CD1-CZ2 4.39Å; I239-W294 HydrophobicContact CG2-CH2 3.47Å; I239-W294 VanDerWaalsContact CG2-CH2 3.47Å; I239-W294 HydrophobicContact CG2-CZ2 3.93Å; I239-W294 HydrophobicContact CG2-CZ3 3.9Å; I239-E322 HydrophobicContact CD1-CB 3.67Å; I239-E322 HydrophobicContact CD1-CG 3.75Å; I239-V325 HydrophobicContact CD1-CG2 3.79Å; I239-V325 HydrophobicContact CG1-CB 4.36Å; I239-V325 HydrophobicContact CG1-CG1 4.43Å; I239-V325 HydrophobicContact CG1-CG2 4.09Å; I239-V325 HydrophobicContact CG2-CG1 4.46Å; I239-V325 HydrophobicContact CG2-CG2 4.47Å
240	M	98.3	Very high	97.8	Very high	21 Å²	21	26.9 Å²	26.9	10%	0.103	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-44.2	174.8	-67.6	164.2	73.6	0	0	111.4	L80 E236 E242 I243 Y244 W285 W294	L80-M240 HydrophobicContact CB-CE 4.2Å; L80-M240 HydrophobicContact CD1-CB 3.64Å; L80-M240 HydrophobicContact CD1-CE 4.27Å; E236-M240 HydrophobicContact CG-SD 3.95Å; E236-M240 VanDerWaalsContact O-CG 3.25Å; E236-M240 WeakPolarHBondContact O-CG 3.38Å; E236-M240 PolarHBondContact O-N 3.4Å; M240-E242 VanDerWaalsContact C-N 3.34Å; M240-E242 PolarHBondContact O-N 2.84Å; M240-I243 PolarHBondContact O-N 2.94Å; M240-Y244 VanDerWaalsContact O-CB 3.26Å; M240-Y244 WeakPolarHBondContact O-CB 3.34Å; M240-Y244 PolarHBondContact O-N 3.09Å; M240-W285 HydrophobicContact CB-CD2 4.3Å; M240-W285 HydrophobicContact CB-CE3 4.17Å; M240-W285 HydrophobicContact CB-CH2 4.08Å; M240-W285 HydrophobicContact CB-CZ2 4.15Å; M240-W285 HydrophobicContact CB-CZ3 4.08Å; M240-W285 HydrophobicContact CE-CD2 4.05Å; M240-W285 VanDerWaalsContact CE-CE2 3.47Å; M240-W285 HydrophobicContact CE-CG 4.13Å; M240-W285 HydrophobicContact CE-CZ2 3.98Å; M240-W285 HydrophobicContact CG-CD2 3.83Å; M240-W285 HydrophobicContact CG-CE3 4Å; M240-W285 HydrophobicContact CG-CG 4.23Å; M240-W285 HydrophobicContact CG-CZ2 4.45Å; M240-W285 HydrophobicContact CG-CZ3 4.42Å; M240-W285 WeakPolarHBondContact O-CH2 3.5Å; M240-W285 WeakPolarHBondContact O-CZ3 2.87Å; M240-W294 HydrophobicContact CB-CH2 4.5Å; M240-W294 HydrophobicContact CG-CH2 3.55Å; M240-W294 HydrophobicContact CG-CZ3 3.72Å
241	A	97.8	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-35.7	179.4	0	0	0	0	0	112.9	M73 T75 L78 L80 K237 D238 I239 K245	M73-A241 VanDerWaalsContact CE-C 3.44Å; M73-A241 HydrophobicContact CE-CB 3.43Å; M73-A241 VanDerWaalsContact CE-CB 3.43Å; T75-A241 HydrophobicContact CG2-CB 3.51Å; L78-A241 HydrophobicContact CD2-CB 3.58Å; L80-A241 HydrophobicContact CD1-CB 4.25Å; K237-A241 VanDerWaalsContact O-CB 3.26Å; K237-A241 WeakPolarHBondContact O-CB 3.43Å; K237-A241 PolarHBondContact O-N 2.79Å; D238-A241 PolarHBondContact O-N 2.65Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 3.29Å; A241-K245 WeakPolarHBondContact O-CB 3.5Å; A241-K245 VanDerWaalsContact O-CG 3.27Å; A241-K245 WeakPolarHBondContact O-CG 3.29Å; A241-K245 PolarHBondContact O-N 3.06Å; A241-K245 VanDerWaalsContact O-N 3.13Å
242	E	98.2	Very high	97.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-48.8	176	175	61.3	-160.6	0	0	110.2	R71 M73 R120 Y230 V232 D238 I239 M240 K245 N246 V249	R71-E242 IonicContact CZ-OE2 3.07Å; R71-E242 IonicContact NE-OE2 3.58Å; R71-E242 IonicContact NH1-OE1 3.97Å; R71-E242 PolarHBondContact NH1-OE1 2.85Å; R71-E242 IonicContact NH1-OE2 3.37Å; R71-E242 PolarHBondContact NH1-OE2 3.05Å; M73-E242 HydrophobicContact CE-CB 3.96Å; R120-E242 IonicContact CZ-OE1 2.96Å; R120-E242 IonicContact NH1-OE1 3.23Å; R120-E242 PolarHBondContact NH1-OE1 2.69Å; R120-E242 IonicContact NH2-OE1 3.62Å; R120-E242 PolarHBondContact NH2-OE1 3.2Å; Y230-E242 PolarHBondContact OH-OE1 2.89Å; V232-E242 HydrophobicContact CG1-CB 4.32Å; V232-E242 HydrophobicContact CG2-CB 4.11Å; V232-E242 HydrophobicContact CG2-CG 3.8Å; D238-E242 WeakPolarHBondContact O-CB 3.36Å; D238-E242 PolarHBondContact O-N 3.05Å; I239-E242 PolarHBondContact O-N 3.05Å; M240-E242 VanDerWaalsContact C-N 3.34Å; M240-E242 PolarHBondContact O-N 2.84Å; E242-K245 PolarHBondContact O-N 2.77Å; E242-N246 WeakPolarHBondContact O-CB 3.45Å; E242-N246 PolarHBondContact O-N 2.89Å; E242-N246 PolarHBondContact O-ND2 2.59Å; E242-N246 WeakPolarHBondContact OE1-CB 3.32Å; E242-N246 PolarHBondContact OE1-ND2 3.13Å; E242-N246 PolarHBondContact OE2-ND2 2.94Å; E242-V249 HydrophobicContact CB-CG1 4.45Å; E242-V249 HydrophobicContact CG-CG1 3.56Å
243	I	98.6	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-46.5	178.9	-64.7	166.9	0	0	0	110.4	F84 W90 I239 M240 K245 G247 V249 I282 W285 W294	F84-I243 HydrophobicContact CD1-CG2 4.08Å; F84-I243 HydrophobicContact CE1-CG2 3.73Å; W90-I243 WeakPolarHBondContact CH2-O 3.21Å; I239-I243 HydrophobicContact CG2-CD1 3.97Å; I239-I243 WeakPolarHBondContact O-CG1 3.44Å; I239-I243 PolarHBondContact O-N 3.26Å; M240-I243 PolarHBondContact O-N 2.94Å; I243-K245 VanDerWaalsContact C-N 3.31Å; I243-K245 PolarHBondContact O-N 2.78Å; I243-G247 WeakPolarHBondContact CA-O 3.34Å; I243-G247 WeakPolarHBondContact O-CA 3.5Å; I243-G247 PolarHBondContact O-N 3.49Å; I243-V249 HydrophobicContact CD1-CG2 3.93Å; I243-V249 HydrophobicContact CG1-CG1 3.97Å; I243-V249 HydrophobicContact CG1-CG2 3.84Å; I243-I282 HydrophobicContact CD1-CB 4.13Å; I243-I282 HydrophobicContact CD1-CG2 3.66Å; I243-W285 HydrophobicContact CB-CZ3 3.96Å; I243-W285 HydrophobicContact CG2-CZ3 3.89Å; I243-W294 HydrophobicContact CD1-CZ3 4.25Å
244	Y	98.1	Very high	98.1	Very high	87 Å²	87	25.6 Å²	25.6	34%	0.341	13%	0.125	S	C	.	.	H	α-helix	trans	-57.3	-43.4	179.7	-171	-103.9	0	0	0	112.8	L80 P81 F84 M240 W285	L80-Y244 HydrophobicContact CD2-CD1 3.98Å; L80-Y244 HydrophobicContact CD2-CD2 4.08Å; L80-Y244 HydrophobicContact CD2-CG 3.6Å; P81-Y244 HydrophobicContact CG-CD2 4.35Å; P81-Y244 HydrophobicContact CG-CE2 4.12Å; F84-Y244 AromaticContact CD2-CD2 3.71Å; F84-Y244 HydrophobicContact CD2-CD2 3.71Å; F84-Y244 HydrophobicContact CD2-CE2 4.1Å; F84-Y244 AromaticContact CE2-CD2 3.6Å; F84-Y244 HydrophobicContact CE2-CD2 3.6Å; F84-Y244 HydrophobicContact CE2-CE2 4.01Å; F84-Y244 HydrophobicContact CZ-CD2 4.41Å; M240-Y244 VanDerWaalsContact O-CB 3.26Å; M240-Y244 WeakPolarHBondContact O-CB 3.34Å; M240-Y244 PolarHBondContact O-N 3.09Å; Y244-W285 HydrophobicContact CD2-CH2 4.24Å
245	K	96.7	Very high	98.1	Very high	87 Å²	87	21.3 Å²	21.3	38%	0.378	10%	0.102	S	C	.	.	H	α-helix	trans	-83.7	-37.7	-174.5	-70.6	174.2	-178.4	174.1	0	112.7	F74 L78 A241 E242 I243	F74-K245 PolarHBondContact O-NZ 3.43Å; F74-K245 VanDerWaalsContact O-NZ 3.15Å; L78-K245 VanDerWaalsContact CD1-CE 3.49Å; A241-K245 WeakPolarHBondContact O-CB 3.5Å; A241-K245 VanDerWaalsContact O-CG 3.27Å; A241-K245 WeakPolarHBondContact O-CG 3.29Å; A241-K245 PolarHBondContact O-N 3.06Å; A241-K245 VanDerWaalsContact O-N 3.13Å; E242-K245 PolarHBondContact O-N 2.77Å; I243-K245 VanDerWaalsContact C-N 3.31Å; I243-K245 PolarHBondContact O-N 2.78Å
246	N	98	Very high	98.2	Very high	16 Å²	16	22 Å²	22	9%	0.086	10%	0.099	C	C	.	.	H	α-helix	trans	-125.3	-2.9	-163.2	-55.3	-71.8	0	0	0	114.1	R71 R120 H124 E242 I329	R71-N246 PolarHBondContact NH1-ND2 3.25Å; R120-N246 WeakPolarHBondContact CG-O 3.32Å; H124-N246 PolarHBondContact CE1-OD1 3.45Å; H124-N246 PolarHBondContact NE2-O 3.17Å; E242-N246 WeakPolarHBondContact O-CB 3.45Å; E242-N246 PolarHBondContact O-N 2.89Å; E242-N246 PolarHBondContact O-ND2 2.59Å; E242-N246 WeakPolarHBondContact OE1-CB 3.32Å; E242-N246 PolarHBondContact OE1-ND2 3.13Å; E242-N246 PolarHBondContact OE2-ND2 2.94Å; N246-I329 HydrophobicContact CB-CD1 4.31Å
247	G	98.7	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.084	C	C	.	.			trans	89.5	-177.1	-177.8	0	0	0	0	0	114.4	R120 I243	R120-G247 PolarHBondContact NH2-O 2.93Å; I243-G247 WeakPolarHBondContact CA-O 3.34Å; I243-G247 WeakPolarHBondContact O-CA 3.5Å; I243-G247 PolarHBondContact O-N 3.49Å
248	P	98.9	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.066	C	C	.	.			trans	-50.2	151.1	-173.8	-30.8	39.4	0	0	0	114.5	A86 I96 D119 R120 R281 I282 L283	A86-P248 HydrophobicContact CB-CG 3.89Å; I96-P248 HydrophobicContact CG2-CG 4.22Å; D119-P248 HydrophobicContact CB-CG 4.2Å; D119-P248 WeakPolarHBondContact OD2-CG 3.47Å; R120-P248 PolarHBondContact NE-O 3.37Å; R120-P248 PolarHBondContact NH2-O 2.88Å; P248-R281 HydrophobicContact CB-CG 3.81Å; P248-I282 VanDerWaalsContact CA-O 3.23Å; P248-I282 WeakPolarHBondContact CA-O 3.1Å; P248-I282 WeakPolarHBondContact CB-O 3.47Å; P248-L283 HydrophobicContact CB-CB 4.05Å; P248-L283 HydrophobicContact CG-CB 3.74Å
249	V	98.9	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	157.3	-179.8	-64.2	0	0	0	0	109.7	R120 E242 I243 R281 I282 V325 A327	R120-V249 VanDerWaalsContact NH2-CG1 3.27Å; E242-V249 HydrophobicContact CB-CG1 4.45Å; E242-V249 HydrophobicContact CG-CG1 3.56Å; I243-V249 HydrophobicContact CD1-CG2 3.93Å; I243-V249 HydrophobicContact CG1-CG1 3.97Å; I243-V249 HydrophobicContact CG1-CG2 3.84Å; V249-R281 CarbonylContact O-C 3.6Å; V249-R281 WeakPolarHBondContact O-CA 3.28Å; V249-I282 HydrophobicContact CG2-CB 3.82Å; V249-I282 HydrophobicContact CG2-CD1 4.33Å; V249-I282 HydrophobicContact CG2-CG1 4.32Å; V249-I282 PolarHBondContact N-O 3.39Å; V249-I282 PolarHBondContact O-N 3.45Å; V249-V325 HydrophobicContact CB-CG1 3.75Å; V249-V325 HydrophobicContact CG1-CG1 4.24Å; V249-V325 HydrophobicContact CG2-CG1 3.51Å; V249-A327 HydrophobicContact CG1-CB 4.02Å
250	E	98.9	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.8	167	-179.3	175.4	-143.9	0	0	109.1	W109 G112 A113 P155 W159 I280 V325 V326	W109-E250 VanDerWaalsContact O-OE1 3.05Å; G112-E250 VanDerWaalsContact C-CD 3.49Å; G112-E250 WeakPolarHBondContact CA-OE1 3.4Å; A113-E250 WeakPolarHBondContact CA-OE2 3.34Å; A113-E250 WeakPolarHBondContact CB-OE2 3.12Å; A113-E250 PolarHBondContact N-OE1 3.38Å; A113-E250 PolarHBondContact N-OE2 3.08Å; P155-E250 HydrophobicContact CB-CG 4.35Å; W159-E250 HydrophobicContact CZ2-CB 4.12Å; W159-E250 PolarHBondContact NE1-OE2 2.91Å; E250-I280 WeakPolarHBondContact CA-O 3.46Å; E250-V325 CarbonylContact O-C 3.56Å; E250-V325 WeakPolarHBondContact O-CA 3.01Å; E250-V326 HydrophobicContact CB-CG2 4.07Å; E250-V326 HydrophobicContact CG-CG2 4.32Å; E250-V326 PolarHBondContact N-O 2.64Å; E250-V326 VanDerWaalsContact N-O 3.09Å; E250-V326 PolarHBondContact O-N 2.88Å; E250-V326 VanDerWaalsContact O-O 3.13Å
251	G	98.7	Very high	98.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	172.1	172.7	0	0	0	0	0	110.6	A279 I280 E324	G251-A279 CarbonylContact O-C 3.55Å; G251-A279 VanDerWaalsContact O-CA 3.27Å; G251-A279 WeakPolarHBondContact O-CA 3.39Å; G251-I280 PolarHBondContact N-O 2.86Å; G251-I280 PolarHBondContact O-N 2.84Å; G251-E324 WeakPolarHBondContact CA-O 3.16Å
252	A	98.7	Very high	98.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.2	172.9	0	0	0	0	0	111.1	T61 L63 H278 A279 G320 E324	T61-A252 HydrophobicContact CG2-CB 3.99Å; L63-A252 HydrophobicContact CD2-CB 3.6Å; A252-H278 CarbonylContact C-O 3.49Å; A252-H278 WeakPolarHBondContact CA-O 2.93Å; A252-A279 HydrophobicContact CB-CB 4.42Å; A252-G320 VanDerWaalsContact O-O 3.1Å; A252-E324 HydrophobicContact CB-CB 4.13Å
253	F	98.8	Very high	98.1	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	164.6	178.2	72.8	-70.3	0	0	0	111.4	V255 F259 H278 I280 F310 I312 C319 I321	F253-V255 HydrophobicContact CE1-CG2 4.41Å; F253-V255 HydrophobicContact CE2-CG2 3.86Å; F253-V255 HydrophobicContact CZ-CG2 3.79Å; F253-F259 HydrophobicContact CE2-CD1 4.31Å; F253-F259 HydrophobicContact CE2-CD2 4.27Å; F253-F259 HydrophobicContact CE2-CE1 4.24Å; F253-F259 HydrophobicContact CE2-CE2 4.19Å; F253-F259 HydrophobicContact CE2-CG 4.31Å; F253-F259 HydrophobicContact CE2-CZ 4.16Å; F253-F259 HydrophobicContact CZ-CD1 4.14Å; F253-F259 HydrophobicContact CZ-CD2 4.49Å; F253-F259 AromaticContact CZ-CE1 3.65Å; F253-F259 HydrophobicContact CZ-CE1 3.65Å; F253-F259 HydrophobicContact CZ-CE2 4.04Å; F253-F259 AromaticContact CZ-CZ 3.58Å; F253-F259 HydrophobicContact CZ-CZ 3.58Å; F253-H278 HydrophobicContact CE1-CB 4.28Å; F253-H278 AromaticContact CE1-CD2 3.99Å; F253-H278 PolarHBondContact N-O 2.88Å; F253-H278 PolarHBondContact O-N 3.04Å; F253-I280 HydrophobicContact CD1-CG1 4.09Å; F253-I280 HydrophobicContact CD1-CG2 4.41Å; F253-I280 HydrophobicContact CE1-CG1 4.18Å; F253-I280 HydrophobicContact CE1-CG2 3.75Å; F253-F310 AromaticContact CE1-CZ 3.97Å; F253-F310 HydrophobicContact CE1-CZ 3.97Å; F253-F310 HydrophobicContact CZ-CE2 4.33Å; F253-F310 AromaticContact CZ-CZ 3.99Å; F253-F310 HydrophobicContact CZ-CZ 3.99Å; F253-I312 HydrophobicContact CD2-CD1 4.08Å; F253-I312 HydrophobicContact CE2-CD1 4.39Å; F253-C319 CarbonylContact C-O 3.57Å; F253-C319 WeakPolarHBondContact CA-O 3.44Å; F253-C319 HydrophobicContact CB-CB 4.2Å; F253-C319 WeakPolarHBondContact CB-O 3.41Å; F253-C319 HydrophobicContact CD2-CB 3.99Å; F253-I321 HydrophobicContact CB-CB 4.17Å; F253-I321 HydrophobicContact CB-CD1 3.8Å; F253-I321 HydrophobicContact CD1-CD1 3.77Å; F253-I321 HydrophobicContact CG-CD1 3.92Å
254	S	98.8	Very high	98.1	Very high	20 Å²	20	18.1 Å²	18.1	14%	0.14	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.2	173.1	-62.9	0	0	0	0	110.7	L63 C319	L63-S254 WeakPolarHBondContact CD1-OG 3.43Å; S254-C319 PolarHBondContact N-O 2.97Å; S254-C319 WeakPolarHBondContact O-CB 3.35Å
255	V	98.6	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.5	172.4	176.1	0	0	0	0	109.1	F253 F259 L260 M275 G276 H278	F253-V255 HydrophobicContact CE1-CG2 4.41Å; F253-V255 HydrophobicContact CE2-CG2 3.86Å; F253-V255 HydrophobicContact CZ-CG2 3.79Å; V255-F259 HydrophobicContact CG1-CB 4.23Å; V255-F259 HydrophobicContact CG1-CD1 3.93Å; V255-F259 HydrophobicContact CG1-CG 4.49Å; V255-F259 HydrophobicContact CG2-CD1 4.23Å; V255-L260 HydrophobicContact CG1-CD2 4.17Å; V255-M275 HydrophobicContact CB-CB 4.35Å; V255-M275 HydrophobicContact CG1-CB 4Å; V255-M275 HydrophobicContact CG1-CG 4.3Å; V255-M275 PolarHBondContact O-N 3.19Å; V255-G276 PolarHBondContact N-O 3.19Å; V255-H278 HydrophobicContact CG2-CB 3.35Å
256	Y	97.6	Very high	98.3	Very high	54 Å²	54	10 Å²	10	21%	0.212	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	157.6	168.8	-69.6	-93	0	0	0	109.6	D258 F259 H269 E273 M274	Y256-D258 VanDerWaalsContact CB-OD1 3.28Å; Y256-D258 WeakPolarHBondContact CB-OD1 3.18Å; Y256-D258 PolarHBondContact O-N 2.88Å; Y256-D258 VanDerWaalsContact O-N 3.15Å; Y256-F259 VanDerWaalsContact O-CB 3.25Å; Y256-F259 WeakPolarHBondContact O-CB 3.45Å; Y256-F259 PolarHBondContact O-N 3.44Å; Y256-H269 VanDerWaalsContact CB-ND1 3.33Å; Y256-H269 WeakPolarHBondContact CB-ND1 3.21Å; Y256-H269 AromaticContact CD1-CE1 3.42Å; Y256-H269 VanDerWaalsContact CD1-CE1 3.42Å; Y256-H269 WeakPolarHBondContact CD1-CE1 3.06Å; Y256-H269 AromaticContact CD1-ND1 3.95Å; Y256-H269 AromaticContact CD1-NE2 3.77Å; Y256-H269 HydrophobicContact CD2-CB 4.44Å; Y256-H269 AromaticContact CD2-CG 3.91Å; Y256-H269 AromaticContact CD2-ND1 3.87Å; Y256-H269 AromaticContact CE1-NE2 3.98Å; Y256-H269 AromaticContact CG-CE1 3.42Å; Y256-H269 VanDerWaalsContact CG-CE1 3.42Å; Y256-H269 AromaticContact CG-CG 3.95Å; Y256-H269 AromaticContact CG-ND1 3.45Å; Y256-H269 AromaticContact CG-NE2 3.99Å; Y256-E273 CarbonylContact C-O 2.97Å; Y256-E273 VanDerWaalsContact CA-O 3.22Å; Y256-E273 WeakPolarHBondContact CA-O 3.44Å; Y256-M274 HydrophobicContact CD1-CB 4.22Å; Y256-M274 HydrophobicContact CE1-CB 3.98Å; Y256-M274 HydrophobicContact CE1-CE 4.24Å; Y256-M274 HydrophobicContact CE2-CE 4.48Å; Y256-M274 WeakPolarHBondContact OH-CE 3.19Å
257	S	96.5	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.7	-173.6	58.2	0	0	0	0	114.2	F259 L260 G272 E273	S257-F259 VanDerWaalsContact C-N 3.32Å; S257-F259 PolarHBondContact O-N 2.83Å; S257-L260 WeakPolarHBondContact O-CB 3.4Å; S257-L260 PolarHBondContact O-N 2.73Å; S257-G272 WeakPolarHBondContact OG-CA 3.48Å; S257-E273 PolarHBondContact N-O 2.95Å; S257-E273 PolarHBondContact OG-N 2.84Å
258	D	97.4	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.1	174.3	62.5	-20.1	0	0	0	113.2	V34 W41 Y256 L260 L261 Y267 H269 V270 T271	V34-D258 HydrophobicContact CG2-CB 4.22Å; W41-D258 HydrophobicContact CH2-CB 4.12Å; W41-D258 VanDerWaalsContact CH2-O 3.24Å; W41-D258 WeakPolarHBondContact CH2-O 3.39Å; W41-D258 HydrophobicContact CZ2-CB 4.29Å; Y256-D258 VanDerWaalsContact CB-OD1 3.28Å; Y256-D258 WeakPolarHBondContact CB-OD1 3.18Å; Y256-D258 PolarHBondContact O-N 2.88Å; Y256-D258 VanDerWaalsContact O-N 3.15Å; D258-L260 PolarHBondContact O-N 2.84Å; D258-L261 WeakPolarHBondContact O-CB 3.39Å; D258-L261 PolarHBondContact O-N 2.74Å; D258-Y267 PolarHBondContact OD1-OH 2.86Å; D258-Y267 VanDerWaalsContact OD1-OH 3.09Å; D258-H269 IonicContact OD1-CE1 2.86Å; D258-H269 IonicContact OD1-ND1 2.92Å; D258-H269 PolarHBondContact OD1-ND1 3.18Å; D258-H269 IonicContact OD2-ND1 2.72Å; D258-H269 PolarHBondContact OD2-ND1 3.28Å; D258-V270 PolarHBondContact OD2-N 2.73Å; D258-T271 VanDerWaalsContact CB-O 3.28Å; D258-T271 WeakPolarHBondContact CB-O 3.13Å; D258-T271 VanDerWaalsContact OD1-O 3.06Å; D258-T271 PolarHBondContact OD2-N 2.68Å; D258-T271 VanDerWaalsContact OD2-O 3.05Å
259	F	98.4	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-59.2	-34.6	175.7	-179	-106.2	0	0	0	113.1	F253 V255 Y256 S257 L261 Y262 Y267 W300 W304 F310	F253-F259 HydrophobicContact CE2-CD1 4.31Å; F253-F259 HydrophobicContact CE2-CD2 4.27Å; F253-F259 HydrophobicContact CE2-CE1 4.24Å; F253-F259 HydrophobicContact CE2-CE2 4.19Å; F253-F259 HydrophobicContact CE2-CG 4.31Å; F253-F259 HydrophobicContact CE2-CZ 4.16Å; F253-F259 HydrophobicContact CZ-CD1 4.14Å; F253-F259 HydrophobicContact CZ-CD2 4.49Å; F253-F259 AromaticContact CZ-CE1 3.65Å; F253-F259 HydrophobicContact CZ-CE1 3.65Å; F253-F259 HydrophobicContact CZ-CE2 4.04Å; F253-F259 AromaticContact CZ-CZ 3.58Å; F253-F259 HydrophobicContact CZ-CZ 3.58Å; V255-F259 HydrophobicContact CG1-CB 4.23Å; V255-F259 HydrophobicContact CG1-CD1 3.93Å; V255-F259 HydrophobicContact CG1-CG 4.49Å; V255-F259 HydrophobicContact CG2-CD1 4.23Å; Y256-F259 VanDerWaalsContact O-CB 3.25Å; Y256-F259 WeakPolarHBondContact O-CB 3.45Å; Y256-F259 PolarHBondContact O-N 3.44Å; S257-F259 VanDerWaalsContact C-N 3.32Å; S257-F259 PolarHBondContact O-N 2.83Å; F259-L261 PolarHBondContact O-N 3.32Å; F259-Y262 VanDerWaalsContact O-CB 3.31Å; F259-Y262 WeakPolarHBondContact O-CB 3.16Å; F259-Y262 PolarHBondContact O-N 3.3Å; F259-Y267 HydrophobicContact CB-CE1 4.23Å; F259-Y267 HydrophobicContact CB-CE2 3.89Å; F259-Y267 AromaticContact CD2-CD1 3.61Å; F259-Y267 HydrophobicContact CD2-CD1 3.61Å; F259-Y267 AromaticContact CD2-CD2 3.91Å; F259-Y267 HydrophobicContact CD2-CD2 3.91Å; F259-Y267 AromaticContact CD2-CE1 3.61Å; F259-Y267 HydrophobicContact CD2-CE1 3.61Å; F259-Y267 AromaticContact CD2-CE2 3.91Å; F259-Y267 HydrophobicContact CD2-CE2 3.91Å; F259-Y267 AromaticContact CD2-CG 3.77Å; F259-Y267 HydrophobicContact CD2-CG 3.77Å; F259-Y267 AromaticContact CD2-CZ 3.77Å; F259-Y267 HydrophobicContact CE2-CD1 4.1Å; F259-Y267 HydrophobicContact CE2-CE1 4.44Å; F259-Y267 HydrophobicContact CE2-CG 4.27Å; F259-Y267 HydrophobicContact CG-CE1 4.3Å; F259-Y267 HydrophobicContact CG-CE2 4.42Å; F259-W300 HydrophobicContact CD1-CH2 4.03Å; F259-W300 HydrophobicContact CD1-CZ3 4.1Å; F259-W300 AromaticContact CE1-CH2 3.84Å; F259-W300 HydrophobicContact CE1-CH2 3.84Å; F259-W300 AromaticContact CE1-CZ3 3.81Å; F259-W300 HydrophobicContact CE1-CZ3 3.81Å; F259-W304 HydrophobicContact CD1-CZ2 4.2Å; F259-W304 AromaticContact CE1-CH2 3.78Å; F259-W304 HydrophobicContact CE1-CH2 3.78Å; F259-W304 AromaticContact CE1-CZ2 3.59Å; F259-W304 HydrophobicContact CE1-CZ2 3.59Å; F259-W304 AromaticContact CE2-CH2 3.98Å; F259-W304 HydrophobicContact CE2-CH2 3.98Å; F259-W304 HydrophobicContact CE2-CZ2 4.24Å; F259-W304 AromaticContact CZ-CH2 3.35Å; F259-W304 HydrophobicContact CZ-CH2 3.35Å; F259-W304 AromaticContact CZ-CZ2 3.63Å; F259-W304 HydrophobicContact CZ-CZ2 3.63Å; F259-W304 HydrophobicContact CZ-CZ3 4.5Å; F259-F310 AromaticContact CE2-CD2 3.58Å; F259-F310 HydrophobicContact CE2-CD2 3.58Å; F259-F310 AromaticContact CE2-CE2 3.63Å; F259-F310 HydrophobicContact CE2-CE2 3.63Å; F259-F310 HydrophobicContact CE2-CG 4.06Å; F259-F310 HydrophobicContact CE2-CZ 4.16Å; F259-F310 HydrophobicContact CZ-CD1 4.05Å; F259-F310 AromaticContact CZ-CD2 3.84Å; F259-F310 HydrophobicContact CZ-CD2 3.84Å; F259-F310 AromaticContact CZ-CE1 3.91Å; F259-F310 HydrophobicContact CZ-CE1 3.91Å; F259-F310 AromaticContact CZ-CE2 3.69Å; F259-F310 HydrophobicContact CZ-CE2 3.69Å; F259-F310 AromaticContact CZ-CG 4Å; F259-F310 HydrophobicContact CZ-CG 4Å; F259-F310 AromaticContact CZ-CZ 3.71Å; F259-F310 HydrophobicContact CZ-CZ 3.71Å
260	L	96.9	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-58.5	-21.4	178.6	-56.9	175.5	0	0	0	111.9	N46 F47 L55 V255 S257 D258 M275 W300 W304	N46-L260 PolarHBondContact ND2-O 2.98Å; F47-L260 HydrophobicContact CD2-CB 4.08Å; F47-L260 HydrophobicContact CE2-CB 3.96Å; F47-L260 HydrophobicContact CE2-CD2 4.13Å; F47-L260 WeakPolarHBondContact CE2-O 3.32Å; L55-L260 HydrophobicContact CB-CD1 4.27Å; L55-L260 HydrophobicContact CD1-CD1 4.04Å; L55-L260 HydrophobicContact CD2-CD1 4.19Å; L55-L260 HydrophobicContact CG-CD1 4.4Å; V255-L260 HydrophobicContact CG1-CD2 4.17Å; S257-L260 WeakPolarHBondContact O-CB 3.4Å; S257-L260 PolarHBondContact O-N 2.73Å; D258-L260 PolarHBondContact O-N 2.84Å; L260-M275 HydrophobicContact CD1-CE 4.33Å; L260-M275 HydrophobicContact CD1-CG 4.24Å; L260-W300 HydrophobicContact CD2-CH2 3.79Å; L260-W300 HydrophobicContact CD2-CZ3 3.85Å; L260-W304 PolarHBondContact O-NE1 3.42Å
261	L	97.4	Very high	98	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-95.8	5.7	-179.1	-52.8	173.2	0	0	0	113.5	L26 L30 V31 A43 G44 D258 F259 K263	L26-L261 HydrophobicContact CD2-CD2 4.16Å; L30-L261 HydrophobicContact CB-CD1 4.09Å; L30-L261 HydrophobicContact CD2-CD1 3.66Å; L30-L261 HydrophobicContact CG-CD1 3.59Å; V31-L261 HydrophobicContact CG2-CD1 3.73Å; V31-L261 HydrophobicContact CG2-CD2 3.99Å; V31-L261 HydrophobicContact CG2-CG 4.32Å; A43-L261 CarbonylContact C-O 3.53Å; A43-L261 VanDerWaalsContact CA-O 3.24Å; A43-L261 WeakPolarHBondContact CA-O 3.41Å; A43-L261 HydrophobicContact CB-CB 4.1Å; G44-L261 PolarHBondContact N-O 3.33Å; G44-L261 CarbonylContact O-C 3.49Å; G44-L261 VanDerWaalsContact O-CA 3.29Å; G44-L261 WeakPolarHBondContact O-CA 3.22Å; D258-L261 WeakPolarHBondContact O-CB 3.39Å; D258-L261 PolarHBondContact O-N 2.74Å; F259-L261 PolarHBondContact O-N 3.32Å; L261-K263 PolarHBondContact O-N 3.35Å
262	Y	98.4	Very high	97.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.5	-179.7	176.8	-92.7	0	0	0	112	W41 N46 F259 G265 W304 G305 F310 K311	W41-Y262 HydrophobicContact CB-CE2 4.42Å; W41-Y262 HydrophobicContact CE3-CD2 4.13Å; N46-Y262 PolarHBondContact ND2-O 3.26Å; F259-Y262 VanDerWaalsContact O-CB 3.31Å; F259-Y262 WeakPolarHBondContact O-CB 3.16Å; F259-Y262 PolarHBondContact O-N 3.3Å; Y262-G265 VanDerWaalsContact CE2-O 3.27Å; Y262-G265 WeakPolarHBondContact CE2-O 3.24Å; Y262-G265 PolarHBondContact OH-O 3.48Å; Y262-W304 AromaticContact CD1-CH2 3.94Å; Y262-W304 HydrophobicContact CD1-CH2 3.94Å; Y262-W304 HydrophobicContact CD1-CZ2 4.39Å; Y262-W304 HydrophobicContact CD1-CZ3 4.33Å; Y262-W304 HydrophobicContact CG-CH2 4.36Å; Y262-G305 WeakPolarHBondContact O-CA 3.33Å; Y262-F310 HydrophobicContact CD1-CB 3.63Å; Y262-F310 HydrophobicContact CE1-CB 3.3Å; Y262-F310 HydrophobicContact CE2-CB 4.3Å; Y262-F310 HydrophobicContact CG-CB 4.27Å; Y262-K311 PolarHBondContact OH-N 3.39Å
263	K	98.1	Very high	97.5	Very high	69 Å²	69	20.7 Å²	20.7	30%	0.3	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-45.7	170.4	-69.1	-64.1	-174.8	-177.6	0	113	Q42 G44 H45 N46 L261 G305	Q42-K263 PolarHBondContact O-N 2.72Å; Q42-K263 VanDerWaalsContact O-N 3.1Å; G44-K263 WeakPolarHBondContact O-CE 3.47Å; H45-K263 WeakPolarHBondContact O-CE 3.44Å; H45-K263 PolarHBondContact O-NZ 2.98Å; N46-K263 VanDerWaalsContact OD1-CE 3.28Å; N46-K263 WeakPolarHBondContact OD1-CE 3.25Å; N46-K263 PolarHBondContact OD1-NZ 3.2Å; L261-K263 PolarHBondContact O-N 3.35Å; K263-G305 CarbonylContact O-C 3.51Å
264	S	98.7	Very high	97.4	Very high	46 Å²	46	25.7 Å²	25.7	32%	0.322	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	167.7	-175.8	56.6	0	0	0	0	111.9	W41 Q42	W41-S264 VanDerWaalsContact CA-O 3.25Å; W41-S264 WeakPolarHBondContact CA-O 3.09Å; W41-S264 WeakPolarHBondContact CB-O 2.99Å; Q42-S264 PolarHBondContact N-O 3Å; Q42-S264 PolarHBondContact OE1-O 3.09Å; Q42-S264 PolarHBondContact OE1-OG 2.79Å
265	G	98.7	Very high	97.2	Very high	4 Å²	4	25.3 Å²	25.3	4%	0.041	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.9	-166	179.4	0	0	0	0	0	113.1	T40 Y262 E288 K311	T40-G265 CarbonylContact O-C 3.58Å; T40-G265 WeakPolarHBondContact O-CA 3.47Å; Y262-G265 VanDerWaalsContact CE2-O 3.27Å; Y262-G265 WeakPolarHBondContact CE2-O 3.24Å; Y262-G265 PolarHBondContact OH-O 3.48Å; G265-E288 WeakPolarHBondContact CA-OE1 3.35Å; G265-K311 WeakPolarHBondContact O-CB 3.4Å
266	V	98.9	Very high	97.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	108.6	178.6	-175.5	0	0	0	0	109.3	T40 Q268 E288 T291 Y293 K311 L313	T40-V266 CarbonylContact C-O 3.59Å; T40-V266 WeakPolarHBondContact CB-O 3.43Å; T40-V266 PolarHBondContact O-N 3.32Å; T40-V266 PolarHBondContact OG1-O 2.86Å; V266-Q268 PolarHBondContact O-N 2.94Å; V266-E288 HydrophobicContact CG2-CB 3.96Å; V266-T291 HydrophobicContact CB-CG2 3.97Å; V266-T291 HydrophobicContact CG1-CG2 3.78Å; V266-T291 HydrophobicContact CG2-CG2 4.24Å; V266-Y293 HydrophobicContact CG2-CD1 3.9Å; V266-Y293 HydrophobicContact CG2-CG 4.13Å; V266-K311 HydrophobicContact CG2-CB 4.35Å; V266-L313 HydrophobicContact CG1-CB 4.44Å
267	Y	98.9	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	131.3	179.8	173.4	-108.6	0	0	0	111.7	W41 D258 F259 H269 K311 I312 L313	W41-Y267 HydrophobicContact CD2-CD2 4.02Å; W41-Y267 AromaticContact CE2-CD2 3.7Å; W41-Y267 HydrophobicContact CE3-CD2 4.39Å; W41-Y267 HydrophobicContact CH2-CD2 4.19Å; W41-Y267 HydrophobicContact CH2-CE2 4.15Å; W41-Y267 AromaticContact CZ2-CD2 3.78Å; W41-Y267 HydrophobicContact CZ2-CD2 3.78Å; W41-Y267 AromaticContact CZ2-CE2 3.74Å; W41-Y267 HydrophobicContact CZ2-CE2 3.74Å; W41-Y267 HydrophobicContact CZ3-CD2 4.47Å; D258-Y267 PolarHBondContact OD1-OH 2.86Å; D258-Y267 VanDerWaalsContact OD1-OH 3.09Å; F259-Y267 HydrophobicContact CB-CE1 4.23Å; F259-Y267 HydrophobicContact CB-CE2 3.89Å; F259-Y267 AromaticContact CD2-CD1 3.61Å; F259-Y267 HydrophobicContact CD2-CD1 3.61Å; F259-Y267 AromaticContact CD2-CD2 3.91Å; F259-Y267 HydrophobicContact CD2-CD2 3.91Å; F259-Y267 AromaticContact CD2-CE1 3.61Å; F259-Y267 HydrophobicContact CD2-CE1 3.61Å; F259-Y267 AromaticContact CD2-CE2 3.91Å; F259-Y267 HydrophobicContact CD2-CE2 3.91Å; F259-Y267 AromaticContact CD2-CG 3.77Å; F259-Y267 HydrophobicContact CD2-CG 3.77Å; F259-Y267 AromaticContact CD2-CZ 3.77Å; F259-Y267 HydrophobicContact CE2-CD1 4.1Å; F259-Y267 HydrophobicContact CE2-CE1 4.44Å; F259-Y267 HydrophobicContact CE2-CG 4.27Å; F259-Y267 HydrophobicContact CG-CE1 4.3Å; F259-Y267 HydrophobicContact CG-CE2 4.42Å; Y267-H269 WeakPolarHBondContact OH-CB 3.04Å; Y267-K311 VanDerWaalsContact CB-O 3.3Å; Y267-K311 WeakPolarHBondContact CB-O 3.36Å; Y267-K311 PolarHBondContact N-O 2.88Å; Y267-I312 HydrophobicContact CD1-CD1 3.87Å; Y267-I312 HydrophobicContact CD1-CG1 3.94Å; Y267-I312 HydrophobicContact CE1-CD1 4.28Å; Y267-L313 PolarHBondContact O-N 3.16Å; Y267-L313 VanDerWaalsContact O-N 3.17Å
268	Q	98.7	Very high	97.3	Very high	57 Å²	57	24.1 Å²	24.1	27%	0.266	14%	0.136	S	C	.	.			trans	-138.7	125.7	169.9	-72.5	-172.3	67.7	0	0	107.6	T40 W41 V266 V270 L313	T40-Q268 VanDerWaalsContact CG2-NE2 3.34Å; T40-Q268 PolarHBondContact OG1-NE2 3.3Å; W41-Q268 PolarHBondContact NE1-O 2.87Å; V266-Q268 PolarHBondContact O-N 2.94Å; Q268-V270 VanDerWaalsContact O-CG2 3.31Å; Q268-V270 WeakPolarHBondContact O-CG2 3.42Å; Q268-V270 PolarHBondContact O-N 2.86Å; Q268-L313 HydrophobicContact CG-CB 3.9Å; Q268-L313 HydrophobicContact CG-CD1 4.48Å; Q268-L313 HydrophobicContact CG-CD2 3.99Å; Q268-L313 HydrophobicContact CG-CG 4.35Å
269	H	98.2	Very high	97.4	Very high	41 Å²	41	24.1 Å²	24.1	19%	0.19	14%	0.136	C	C	.	.			trans	-64.4	128.2	-177.1	168.6	61.3	0	0	0	109.8	R20 Y256 D258 Y267 T271 H318	R20-H269 PolarHBondContact NH1-NE2 3.14Å; Y256-H269 VanDerWaalsContact CB-ND1 3.33Å; Y256-H269 WeakPolarHBondContact CB-ND1 3.21Å; Y256-H269 AromaticContact CD1-CE1 3.42Å; Y256-H269 VanDerWaalsContact CD1-CE1 3.42Å; Y256-H269 WeakPolarHBondContact CD1-CE1 3.06Å; Y256-H269 AromaticContact CD1-ND1 3.95Å; Y256-H269 AromaticContact CD1-NE2 3.77Å; Y256-H269 HydrophobicContact CD2-CB 4.44Å; Y256-H269 AromaticContact CD2-CG 3.91Å; Y256-H269 AromaticContact CD2-ND1 3.87Å; Y256-H269 AromaticContact CE1-NE2 3.98Å; Y256-H269 AromaticContact CG-CE1 3.42Å; Y256-H269 VanDerWaalsContact CG-CE1 3.42Å; Y256-H269 AromaticContact CG-CG 3.95Å; Y256-H269 AromaticContact CG-ND1 3.45Å; Y256-H269 AromaticContact CG-NE2 3.99Å; D258-H269 IonicContact OD1-CE1 2.86Å; D258-H269 IonicContact OD1-ND1 2.92Å; D258-H269 PolarHBondContact OD1-ND1 3.18Å; D258-H269 IonicContact OD2-ND1 2.72Å; D258-H269 PolarHBondContact OD2-ND1 3.28Å; Y267-H269 WeakPolarHBondContact OH-CB 3.04Å; H269-T271 PolarHBondContact CE1-N 3Å; H269-T271 PolarHBondContact CE1-O 2.76Å; H269-T271 PolarHBondContact ND1-O 3.28Å; H269-H318 PolarHBondContact N-CE1 3.31Å; H269-H318 PolarHBondContact N-NE2 2.95Å
270	V	96.4	Very high	97.4	Very high	16 Å²	16	24.3 Å²	24.3	10%	0.097	14%	0.136	C	C	.	.			trans	-111.4	-46.1	-176.8	-174.2	0	0	0	0	110.9	R20 Y33 R37 T39 W41 D258 Q268	R20-V270 PolarHBondContact NH1-O 2.95Å; R20-V270 VanDerWaalsContact NH1-O 3.13Å; Y33-V270 HydrophobicContact CE1-CG1 4.01Å; R37-V270 HydrophobicContact CB-CG1 4.42Å; R37-V270 HydrophobicContact CG-CG1 4.03Å; T39-V270 HydrophobicContact CG2-CG2 3.51Å; W41-V270 HydrophobicContact CZ2-CG2 4.37Å; D258-V270 PolarHBondContact OD2-N 2.73Å; Q268-V270 VanDerWaalsContact O-CG2 3.31Å; Q268-V270 WeakPolarHBondContact O-CG2 3.42Å; Q268-V270 PolarHBondContact O-N 2.86Å
271	T	95.5	Very high	97.5	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	14%	0.136	C	C	.	.	S	Bend	trans	-162.5	175.3	-173.1	-164.7	0	0	0	0	110.6	L30 Y33 D258 H269	L30-T271 HydrophobicContact CD1-CG2 3.33Å; Y33-T271 HydrophobicContact CD1-CG2 3.61Å; Y33-T271 HydrophobicContact CE1-CG2 3.67Å; D258-T271 VanDerWaalsContact CB-O 3.28Å; D258-T271 WeakPolarHBondContact CB-O 3.13Å; D258-T271 VanDerWaalsContact OD1-O 3.06Å; D258-T271 PolarHBondContact OD2-N 2.68Å; D258-T271 VanDerWaalsContact OD2-O 3.05Å; H269-T271 PolarHBondContact CE1-N 3Å; H269-T271 PolarHBondContact CE1-O 2.76Å; H269-T271 PolarHBondContact ND1-O 3.28Å
272	G	93.6	Very high	97.6	Very high	27 Å²	27	24.3 Å²	24.3	28%	0.278	14%	0.136	S	C	.	.			trans	103.2	160.9	179.1	0	0	0	0	0	113.1	S257	S257-G272 WeakPolarHBondContact OG-CA 3.48Å
273	E	93.7	Very high	97.6	Very high	96 Å²	96	24.3 Å²	24.3	45%	0.449	14%	0.136	S	C	.	.			trans	-81	156.4	-178.9	66.1	-174.6	140.7	0	0	111.3	P25 Y256 S257 M275	P25-E273 VanDerWaalsContact CG-OE1 3.32Å; P25-E273 WeakPolarHBondContact CG-OE1 3.43Å; Y256-E273 CarbonylContact C-O 2.97Å; Y256-E273 VanDerWaalsContact CA-O 3.22Å; Y256-E273 WeakPolarHBondContact CA-O 3.44Å; S257-E273 PolarHBondContact N-O 2.95Å; S257-E273 PolarHBondContact OG-N 2.84Å; E273-M275 HydrophobicContact CG-SD 3.88Å; E273-M275 PolarHBondContact O-N 3.46Å
274	M	95.6	Very high	97.6	Very high	106 Å²	106	21 Å²	21	52%	0.522	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.5	173	-177.8	177.6	-75.1	0	0	109.2	Y256	Y256-M274 HydrophobicContact CD1-CB 4.22Å; Y256-M274 HydrophobicContact CE1-CB 3.98Å; Y256-M274 HydrophobicContact CE1-CE 4.24Å; Y256-M274 HydrophobicContact CE2-CE 4.48Å; Y256-M274 WeakPolarHBondContact OH-CE 3.19Å
275	M	95.8	Very high	97.7	Very high	13 Å²	13	18.9 Å²	18.9	6%	0.064	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-33.8	-179.6	-61.8	-55.5	-62.5	0	0	112.2	M52 L55 K56 V255 L260 E273	M52-M275 HydrophobicContact SD-CE 3.66Å; L55-M275 HydrophobicContact CB-CE 3.96Å; K56-M275 HydrophobicContact CG-CE 3.83Å; V255-M275 HydrophobicContact CB-CB 4.35Å; V255-M275 HydrophobicContact CG1-CB 4Å; V255-M275 HydrophobicContact CG1-CG 4.3Å; V255-M275 PolarHBondContact O-N 3.19Å; L260-M275 HydrophobicContact CD1-CE 4.33Å; L260-M275 HydrophobicContact CD1-CG 4.24Å; E273-M275 HydrophobicContact CG-SD 3.88Å; E273-M275 PolarHBondContact O-N 3.46Å
276	G	97.1	Very high	97.7	Very high	21 Å²	21	18.7 Å²	18.7	22%	0.216	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-173.6	179.7	0	0	0	0	0	112.4	V255	V255-G276 PolarHBondContact N-O 3.19Å
277	G	98.5	Very high	97.7	Very high	8 Å²	8	22.4 Å²	22.4	8%	0.082	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141.2	168.8	0	0	0	0	0	110.7	C59 G60 T61	C59-G277 CarbonylContact C-O 3.56Å; C59-G277 WeakPolarHBondContact CA-O 2.99Å; C59-G277 VanDerWaalsContact O-O 3.05Å; G60-G277 PolarHBondContact N-O 2.84Å; T61-G277 PolarHBondContact N-O 3.42Å; T61-G277 CarbonylContact O-C 3.6Å; T61-G277 WeakPolarHBondContact O-CA 3.07Å
278	H	98.8	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.9	178.8	-172.2	54.2	0	0	0	110.2	L58 Q102 C108 A252 F253 V255 N298 W300	L58-H278 PolarHBondContact O-ND1 3.1Å; Q102-H278 PolarHBondContact OE1-CE1 3.2Å; C108-H278 WeakPolarHBondContact CB-CE1 3.47Å; C108-H278 VanDerWaalsContact CB-ND1 3.31Å; C108-H278 WeakPolarHBondContact CB-ND1 2.92Å; C108-H278 PolarHBondContact SG-ND1 2.03Å; C108-H278 VanDerWaalsContact SG-ND1 3.43Å; A252-H278 CarbonylContact C-O 3.49Å; A252-H278 WeakPolarHBondContact CA-O 2.93Å; F253-H278 HydrophobicContact CE1-CB 4.28Å; F253-H278 AromaticContact CE1-CD2 3.99Å; F253-H278 PolarHBondContact N-O 2.88Å; F253-H278 PolarHBondContact O-N 3.04Å; V255-H278 HydrophobicContact CG2-CB 3.35Å; H278-N298 PolarHBondContact NE2-OD1 3.02Å; H278-W300 AromaticContact CD2-CZ2 3.79Å; H278-W300 AromaticContact CE1-CE2 3.64Å; H278-W300 AromaticContact CE1-CZ2 3.69Å; H278-W300 AromaticContact CE1-NE1 3.26Å; H278-W300 PolarHBondContact CE1-NE1 2.79Å; H278-W300 VanDerWaalsContact CE1-NE1 3.26Å; H278-W300 AromaticContact ND1-CZ2 3.97Å; H278-W300 AromaticContact NE2-CE2 3.61Å; H278-W300 AromaticContact NE2-CZ2 3.56Å; H278-W300 AromaticContact NE2-NE1 3.6Å
279	A	98.8	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	146.8	175.8	0	0	0	0	0	110.4	T61 P155 G251 A252	T61-A279 HydrophobicContact CG2-CB 4.24Å; T61-A279 WeakPolarHBondContact OG1-CB 3.34Å; T61-A279 PolarHBondContact OG1-N 3.19Å; P155-A279 HydrophobicContact CG-CB 4Å; G251-A279 CarbonylContact O-C 3.55Å; G251-A279 VanDerWaalsContact O-CA 3.27Å; G251-A279 WeakPolarHBondContact O-CA 3.39Å; A252-A279 HydrophobicContact CB-CB 4.42Å
280	I	98.9	Very high	97.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	170.9	-171.2	52	66.3	0	0	0	111.1	E250 G251 F253 I282 V296 F310 I321	E250-I280 WeakPolarHBondContact CA-O 3.46Å; G251-I280 PolarHBondContact N-O 2.86Å; G251-I280 PolarHBondContact O-N 2.84Å; F253-I280 HydrophobicContact CD1-CG1 4.09Å; F253-I280 HydrophobicContact CD1-CG2 4.41Å; F253-I280 HydrophobicContact CE1-CG1 4.18Å; F253-I280 HydrophobicContact CE1-CG2 3.75Å; I280-I282 HydrophobicContact CD1-CD1 4.03Å; I280-I282 HydrophobicContact CD1-CG1 3.33Å; I280-V296 HydrophobicContact CB-CG1 3.54Å; I280-V296 HydrophobicContact CD1-CG1 3.64Å; I280-V296 HydrophobicContact CG1-CG1 3.61Å; I280-V296 HydrophobicContact CG2-CG1 4.14Å; I280-F310 HydrophobicContact CG2-CE1 4.18Å; I280-F310 HydrophobicContact CG2-CZ 4.18Å; I280-I321 HydrophobicContact CD1-CD1 3.95Å; I280-I321 HydrophobicContact CG1-CD1 4.04Å
281	R	98.9	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118	171.9	178.6	172.1	60.8	100.9	1.1	111	I96 E98 E115 A116 D119 P248 V249 V296 A297	I96-R281 PolarHBondContact O-NH1 2.97Å; I96-R281 PolarHBondContact O-NH2 2.93Å; I96-R281 VanDerWaalsContact O-NH2 3.16Å; E98-R281 PolarHBondContact O-NH2 3.45Å; E115-R281 IonicContact OE2-NE 3.78Å; E115-R281 PolarHBondContact OE2-NE 2.03Å; E115-R281 VanDerWaalsContact OE2-NE 3.13Å; A116-R281 HydrophobicContact CB-CG 4.34Å; D119-R281 WeakPolarHBondContact OD2-CD 3.48Å; D119-R281 IonicContact OD2-CZ 3.72Å; D119-R281 IonicContact OD2-NE 3.2Å; D119-R281 IonicContact OD2-NH1 3.89Å; D119-R281 PolarHBondContact OD2-NH1 2.65Å; P248-R281 HydrophobicContact CB-CG 3.81Å; V249-R281 CarbonylContact O-C 3.6Å; V249-R281 WeakPolarHBondContact O-CA 3.28Å; R281-V296 WeakPolarHBondContact O-CA 3.3Å; R281-V296 WeakPolarHBondContact O-CG1 3.45Å; R281-A297 HydrophobicContact CB-CB 4.38Å; R281-A297 PolarHBondContact N-O 3.33Å; R281-A297 PolarHBondContact O-N 3.03Å
282	I	99	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.8	175.4	-46.6	177	0	0	0	108.6	I243 P248 V249 I280 W294 V296 I321 V325	I243-I282 HydrophobicContact CD1-CB 4.13Å; I243-I282 HydrophobicContact CD1-CG2 3.66Å; P248-I282 VanDerWaalsContact CA-O 3.23Å; P248-I282 WeakPolarHBondContact CA-O 3.1Å; P248-I282 WeakPolarHBondContact CB-O 3.47Å; V249-I282 HydrophobicContact CG2-CB 3.82Å; V249-I282 HydrophobicContact CG2-CD1 4.33Å; V249-I282 HydrophobicContact CG2-CG1 4.32Å; V249-I282 PolarHBondContact N-O 3.39Å; V249-I282 PolarHBondContact O-N 3.45Å; I280-I282 HydrophobicContact CD1-CD1 4.03Å; I280-I282 HydrophobicContact CD1-CG1 3.33Å; I282-W294 HydrophobicContact CG2-CB 4.17Å; I282-W294 HydrophobicContact CG2-CD2 4.23Å; I282-W294 HydrophobicContact CG2-CE3 3.85Å; I282-W294 HydrophobicContact CG2-CG 4.41Å; I282-V296 HydrophobicContact CG1-CG2 4.41Å; I282-I321 HydrophobicContact CD1-CG1 4.47Å; I282-V325 HydrophobicContact CD1-CG2 4.23Å
283	L	98.9	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	2.4	-173.1	67.6	145.8	0	0	0	114.2	A86 R87 I96 P248 L295 A297 F309	A86-L283 HydrophobicContact CB-CB 4.15Å; A86-L283 WeakPolarHBondContact CB-O 3.4Å; A86-L283 PolarHBondContact N-O 2.89Å; R87-L283 HydrophobicContact CG-CD1 3.82Å; I96-L283 HydrophobicContact CG2-CD1 4.19Å; P248-L283 HydrophobicContact CB-CB 4.05Å; P248-L283 HydrophobicContact CG-CB 3.74Å; L283-L295 HydrophobicContact CD1-CD2 4.07Å; L283-L295 HydrophobicContact CD1-CG 4.46Å; L283-L295 HydrophobicContact CD2-CG 4.21Å; L283-L295 HydrophobicContact CG-CD2 4.04Å; L283-L295 HydrophobicContact CG-CG 4.04Å; L283-L295 PolarHBondContact N-O 2.84Å; L283-A297 HydrophobicContact CD2-CB 3.81Å; L283-F309 HydrophobicContact CD1-CE1 4.09Å; L283-F309 HydrophobicContact CD2-CD1 4.21Å; L283-F309 HydrophobicContact CD2-CE1 4.19Å
284	G	98.9	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-174.2	179	0	0	0	0	0	114.4	F84 L295	F84-G284 CarbonylContact O-C 3.52Å; F84-G284 WeakPolarHBondContact O-CA 2.95Å; G284-L295 PolarHBondContact N-O 3.42Å; G284-L295 PolarHBondContact O-N 2.92Å
285	W	98.9	Very high	98.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	164.9	177.5	62.5	87.9	0	0	0	110.9	L80 P81 S83 F84 M240 I243 Y244 Y293 W294	L80-W285 HydrophobicContact CD2-CH2 4.44Å; L80-W285 HydrophobicContact CD2-CZ2 4.37Å; P81-W285 HydrophobicContact CG-CZ2 3.98Å; P81-W285 PolarHBondContact O-NE1 3.43Å; S83-W285 CarbonylContact C-O 3.51Å; S83-W285 VanDerWaalsContact CA-O 3.28Å; S83-W285 WeakPolarHBondContact CA-O 3.2Å; F84-W285 HydrophobicContact CB-CD2 3.71Å; F84-W285 HydrophobicContact CB-CE3 3.86Å; F84-W285 HydrophobicContact CB-CG 4.48Å; F84-W285 HydrophobicContact CB-CH2 3.42Å; F84-W285 VanDerWaalsContact CB-CH2 3.42Å; F84-W285 HydrophobicContact CB-CZ2 3.29Å; F84-W285 HydrophobicContact CB-CZ3 3.71Å; F84-W285 HydrophobicContact CD1-CE3 4.06Å; F84-W285 AromaticContact CD1-CH2 3.69Å; F84-W285 HydrophobicContact CD1-CH2 3.69Å; F84-W285 HydrophobicContact CD1-CZ2 4.46Å; F84-W285 AromaticContact CD1-CZ3 3.46Å; F84-W285 HydrophobicContact CD1-CZ3 3.46Å; F84-W285 VanDerWaalsContact CD1-CZ3 3.46Å; F84-W285 HydrophobicContact CD2-CH2 4.07Å; F84-W285 HydrophobicContact CD2-CZ2 4.42Å; F84-W285 HydrophobicContact CE1-CH2 4.48Å; F84-W285 HydrophobicContact CE1-CZ3 4.26Å; F84-W285 HydrophobicContact CG-CE3 4.28Å; F84-W285 AromaticContact CG-CH2 3.45Å; F84-W285 HydrophobicContact CG-CH2 3.45Å; F84-W285 VanDerWaalsContact CG-CH2 3.45Å; F84-W285 AromaticContact CG-CZ2 3.84Å; F84-W285 HydrophobicContact CG-CZ2 3.84Å; F84-W285 AromaticContact CG-CZ3 3.7Å; F84-W285 HydrophobicContact CG-CZ3 3.7Å; F84-W285 PolarHBondContact N-O 3.37Å; F84-W285 PolarHBondContact O-N 3.31Å; M240-W285 HydrophobicContact CB-CD2 4.3Å; M240-W285 HydrophobicContact CB-CE3 4.17Å; M240-W285 HydrophobicContact CB-CH2 4.08Å; M240-W285 HydrophobicContact CB-CZ2 4.15Å; M240-W285 HydrophobicContact CB-CZ3 4.08Å; M240-W285 HydrophobicContact CE-CD2 4.05Å; M240-W285 VanDerWaalsContact CE-CE2 3.47Å; M240-W285 HydrophobicContact CE-CG 4.13Å; M240-W285 HydrophobicContact CE-CZ2 3.98Å; M240-W285 HydrophobicContact CG-CD2 3.83Å; M240-W285 HydrophobicContact CG-CE3 4Å; M240-W285 HydrophobicContact CG-CG 4.23Å; M240-W285 HydrophobicContact CG-CZ2 4.45Å; M240-W285 HydrophobicContact CG-CZ3 4.42Å; M240-W285 WeakPolarHBondContact O-CH2 3.5Å; M240-W285 WeakPolarHBondContact O-CZ3 2.87Å; I243-W285 HydrophobicContact CB-CZ3 3.96Å; I243-W285 HydrophobicContact CG2-CZ3 3.89Å; Y244-W285 HydrophobicContact CD2-CH2 4.24Å; W285-Y293 VanDerWaalsContact CA-O 3.24Å; W285-Y293 WeakPolarHBondContact CA-O 3.41Å; W285-Y293 WeakPolarHBondContact CB-O 3.38Å; W285-W294 HydrophobicContact CB-CE3 3.93Å; W285-W294 HydrophobicContact CB-CZ3 4.08Å; W285-W294 HydrophobicContact CE3-CZ3 4.22Å
286	G	98.9	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-163.3	170.3	0	0	0	0	0	112.6	S83 P292 Y293 R314	S83-G286 VanDerWaalsContact OG-CA 3.31Å; S83-G286 WeakPolarHBondContact OG-CA 3.32Å; G286-P292 WeakPolarHBondContact O-CA 3.15Å; G286-Y293 PolarHBondContact N-O 2.99Å; G286-Y293 PolarHBondContact O-N 3.05Å; G286-R314 PolarHBondContact O-NH2 3.26Å
287	V	98.8	Very high	98.8	Very high	78 Å²	78	22.9 Å²	22.9	47%	0.473	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.4	172.7	-178.9	0	0	0	0	108	T291	V287-T291 WeakPolarHBondContact CA-O 3.32Å
288	E	98.6	Very high	98.8	Very high	52 Å²	52	22.6 Å²	22.6	24%	0.243	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.9	177.1	-173.6	174.1	120.2	0	0	109.1	G265 V266 G290 T291 Y293 K311	G265-E288 WeakPolarHBondContact CA-OE1 3.35Å; V266-E288 HydrophobicContact CG2-CB 3.96Å; E288-G290 PolarHBondContact O-N 2.99Å; E288-G290 VanDerWaalsContact O-N 3.14Å; E288-T291 PolarHBondContact N-O 2.79Å; E288-T291 WeakPolarHBondContact O-CB 3.12Å; E288-T291 PolarHBondContact O-N 3.41Å; E288-Y293 HydrophobicContact CB-CD1 3.91Å; E288-Y293 HydrophobicContact CB-CE1 3.78Å; E288-K311 IonicContact OE2-NZ 2.66Å; E288-K311 PolarHBondContact OE2-NZ 3.42Å
289	N	97.5	Very high	98.7	Very high	159 Å²	159	22.8 Å²	22.8	85%	0.85	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	40.9	-178	-60.2	-37.9	0	0	0	113.3	T291	N289-T291 VanDerWaalsContact C-N 3.3Å; N289-T291 PolarHBondContact O-N 3.36Å
290	G	98.1	Very high	98.7	Very high	66 Å²	66	22.8 Å²	22.8	68%	0.68	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	-1.8	-178.3	0	0	0	0	0	115.3	E288	E288-G290 PolarHBondContact O-N 2.99Å; E288-G290 VanDerWaalsContact O-N 3.14Å
291	T	98.7	Very high	98.5	Very high	22 Å²	22	23.6 Å²	23.6	14%	0.135	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.7	-179.4	-50.2	0	0	0	0	110.6	T40 V266 V287 E288 N289 L313	T40-T291 HydrophobicContact CG2-CG2 3.96Å; T40-T291 VanDerWaalsContact CG2-OG1 3.25Å; T40-T291 WeakPolarHBondContact CG2-OG1 3.47Å; V266-T291 HydrophobicContact CB-CG2 3.97Å; V266-T291 HydrophobicContact CG1-CG2 3.78Å; V266-T291 HydrophobicContact CG2-CG2 4.24Å; V287-T291 WeakPolarHBondContact CA-O 3.32Å; E288-T291 PolarHBondContact N-O 2.79Å; E288-T291 WeakPolarHBondContact O-CB 3.12Å; E288-T291 PolarHBondContact O-N 3.41Å; N289-T291 VanDerWaalsContact C-N 3.3Å; N289-T291 PolarHBondContact O-N 3.36Å; T291-L313 HydrophobicContact CG2-CD1 3.74Å
292	P	98.9	Very high	98.3	Very high	42 Å²	42	27 Å²	27	27%	0.273	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	138.6	175.8	29.4	-34.2	0	0	0	111	G286 R314	G286-P292 WeakPolarHBondContact O-CA 3.15Å; P292-R314 HydrophobicContact CB-CB 4.41Å; P292-R314 PolarHBondContact O-N 3.2Å
293	Y	98.9	Very high	98.1	Very high	35 Å²	35	28.6 Å²	28.6	14%	0.137	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.3	-179.1	68.7	-99.1	0	0	0	113.8	V266 W285 G286 E288 L295 K311 I312 R314	V266-Y293 HydrophobicContact CG2-CD1 3.9Å; V266-Y293 HydrophobicContact CG2-CG 4.13Å; W285-Y293 VanDerWaalsContact CA-O 3.24Å; W285-Y293 WeakPolarHBondContact CA-O 3.41Å; W285-Y293 WeakPolarHBondContact CB-O 3.38Å; G286-Y293 PolarHBondContact N-O 2.99Å; G286-Y293 PolarHBondContact O-N 3.05Å; E288-Y293 HydrophobicContact CB-CD1 3.91Å; E288-Y293 HydrophobicContact CB-CE1 3.78Å; Y293-L295 HydrophobicContact CE2-CB 4.27Å; Y293-K311 HydrophobicContact CD1-CD 4.23Å; Y293-K311 HydrophobicContact CD2-CB 3.83Å; Y293-K311 HydrophobicContact CD2-CD 3.92Å; Y293-K311 HydrophobicContact CD2-CG 3.6Å; Y293-K311 HydrophobicContact CE1-CD 4.17Å; Y293-K311 HydrophobicContact CE2-CD 3.88Å; Y293-K311 HydrophobicContact CE2-CG 3.85Å; Y293-K311 HydrophobicContact CG-CB 3.94Å; Y293-K311 HydrophobicContact CG-CD 4.12Å; Y293-K311 HydrophobicContact CG-CG 4.09Å; Y293-I312 CarbonylContact C-O 3.56Å; Y293-I312 WeakPolarHBondContact CA-O 3.17Å; Y293-R314 VanDerWaalsContact C-CB 3.49Å; Y293-R314 PolarHBondContact O-NE 3.4Å
294	W	99	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	136.5	159.8	-66	116.2	0	0	0	109.8	E236 I239 M240 I243 I282 W285 V296 K311 I312 R314 E322	E236-W294 HydrophobicContact CG-CZ2 4.23Å; I239-W294 HydrophobicContact CB-CH2 3.72Å; I239-W294 HydrophobicContact CB-CZ2 4.1Å; I239-W294 HydrophobicContact CD1-CZ2 4.39Å; I239-W294 HydrophobicContact CG2-CH2 3.47Å; I239-W294 VanDerWaalsContact CG2-CH2 3.47Å; I239-W294 HydrophobicContact CG2-CZ2 3.93Å; I239-W294 HydrophobicContact CG2-CZ3 3.9Å; M240-W294 HydrophobicContact CB-CH2 4.5Å; M240-W294 HydrophobicContact CG-CH2 3.55Å; M240-W294 HydrophobicContact CG-CZ3 3.72Å; I243-W294 HydrophobicContact CD1-CZ3 4.25Å; I282-W294 HydrophobicContact CG2-CB 4.17Å; I282-W294 HydrophobicContact CG2-CD2 4.23Å; I282-W294 HydrophobicContact CG2-CE3 3.85Å; I282-W294 HydrophobicContact CG2-CG 4.41Å; W285-W294 HydrophobicContact CB-CE3 3.93Å; W285-W294 HydrophobicContact CB-CZ3 4.08Å; W285-W294 HydrophobicContact CE3-CZ3 4.22Å; W294-V296 HydrophobicContact CB-CG2 3.93Å; W294-K311 VanDerWaalsContact O-CA 3.24Å; W294-K311 WeakPolarHBondContact O-CA 3.09Å; W294-I312 HydrophobicContact CB-CG2 3.99Å; W294-I312 PolarHBondContact N-O 3.46Å; W294-I312 PolarHBondContact O-N 3Å; W294-R314 HydrophobicContact CD2-CB 4.13Å; W294-R314 HydrophobicContact CD2-CG 3.9Å; W294-R314 VanDerWaalsContact CE2-CD 3.45Å; W294-R314 HydrophobicContact CG-CB 3.98Å; W294-R314 HydrophobicContact CG-CG 4.29Å; W294-R314 HydrophobicContact CH2-CG 4.32Å; W294-R314 HydrophobicContact CZ2-CG 3.64Å; W294-E322 HydrophobicContact CZ2-CG 4.16Å; W294-E322 PolarHBondContact NE1-OE1 2.76Å
295	L	99	Very high	97.9	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.068	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.5	169.5	174.9	65.7	0	0	0	108.4	D85 L283 G284 Y293 F309	D85-L295 HydrophobicContact CB-CD2 4.34Å; D85-L295 WeakPolarHBondContact OD2-CD2 3.18Å; L283-L295 HydrophobicContact CD1-CD2 4.07Å; L283-L295 HydrophobicContact CD1-CG 4.46Å; L283-L295 HydrophobicContact CD2-CG 4.21Å; L283-L295 HydrophobicContact CG-CD2 4.04Å; L283-L295 HydrophobicContact CG-CG 4.04Å; L283-L295 PolarHBondContact N-O 2.84Å; G284-L295 PolarHBondContact N-O 3.42Å; G284-L295 PolarHBondContact O-N 2.92Å; Y293-L295 HydrophobicContact CE2-CB 4.27Å; L295-F309 HydrophobicContact CD1-CB 4.49Å
296	V	99	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.8	-168.7	-170.9	0	0	0	0	110.4	I280 R281 I282 W294 F309 F310 I312	I280-V296 HydrophobicContact CB-CG1 3.54Å; I280-V296 HydrophobicContact CD1-CG1 3.64Å; I280-V296 HydrophobicContact CG1-CG1 3.61Å; I280-V296 HydrophobicContact CG2-CG1 4.14Å; R281-V296 WeakPolarHBondContact O-CA 3.3Å; R281-V296 WeakPolarHBondContact O-CG1 3.45Å; I282-V296 HydrophobicContact CG1-CG2 4.41Å; W294-V296 HydrophobicContact CB-CG2 3.93Å; V296-F309 CarbonylContact O-C 3.58Å; V296-F309 VanDerWaalsContact O-CA 3.28Å; V296-F309 WeakPolarHBondContact O-CA 3.48Å; V296-F310 HydrophobicContact CB-CD1 4.01Å; V296-F310 HydrophobicContact CB-CD2 4.34Å; V296-F310 HydrophobicContact CB-CE1 3.61Å; V296-F310 HydrophobicContact CB-CE2 3.97Å; V296-F310 HydrophobicContact CB-CG 4.37Å; V296-F310 HydrophobicContact CB-CZ 3.6Å; V296-F310 HydrophobicContact CG1-CD1 4.2Å; V296-F310 HydrophobicContact CG1-CE1 3.36Å; V296-F310 HydrophobicContact CG1-CE2 4.19Å; V296-F310 HydrophobicContact CG1-CZ 3.36Å; V296-F310 HydrophobicContact CG2-CE2 4.21Å; V296-F310 HydrophobicContact CG2-CZ 4.19Å; V296-F310 PolarHBondContact N-O 2.78Å; V296-F310 PolarHBondContact O-N 3.29Å; V296-I312 HydrophobicContact CG2-CG2 3.93Å
297	A	98.9	Very high	97.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.3	169.5	0	0	0	0	0	109.4	I99 R281 L283 F309	I99-A297 HydrophobicContact CD1-CB 3.63Å; R281-A297 HydrophobicContact CB-CB 4.38Å; R281-A297 PolarHBondContact N-O 3.33Å; R281-A297 PolarHBondContact O-N 3.03Å; L283-A297 HydrophobicContact CD2-CB 3.81Å; A297-F309 HydrophobicContact CB-CD1 3.97Å; A297-F309 HydrophobicContact CB-CE1 3.86Å
298	N	98.6	Very high	97.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.203	C	C	.	.			trans	-97.1	168.4	174.4	-157.1	0.2	0	0	0	110.7	H278 W300 W304 G308 F310	H278-N298 PolarHBondContact NE2-OD1 3.02Å; N298-W300 VanDerWaalsContact ND2-CD2 3.29Å; N298-W304 HydrophobicContact CB-CE3 3.94Å; N298-W304 HydrophobicContact CB-CZ3 3.78Å; N298-W304 VanDerWaalsContact ND2-CE3 3.28Å; N298-W304 WeakPolarHBondContact ND2-CH2 3.31Å; N298-W304 WeakPolarHBondContact ND2-CZ3 3.45Å; N298-G308 VanDerWaalsContact CB-O 3.24Å; N298-G308 WeakPolarHBondContact CB-O 3.5Å; N298-G308 PolarHBondContact N-O 2.83Å; N298-F310 HydrophobicContact CB-CD1 4.18Å; N298-F310 HydrophobicContact CB-CE1 4.15Å
299	S	98.3	Very high	97.8	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.028	20%	0.195	C	C	.	.	S	Bend	trans	-113.2	27.4	-179	52.5	0	0	0	0	112.7	R100 D101 Q102	R100-S299 CarbonylContact O-C 3.43Å; R100-S299 VanDerWaalsContact O-C 3.25Å; R100-S299 WeakPolarHBondContact O-CA 3.19Å; D101-S299 WeakPolarHBondContact CA-O 3.26Å; Q102-S299 WeakPolarHBondContact CG-O 3.2Å; Q102-S299 PolarHBondContact N-O 3.23Å; Q102-S299 PolarHBondContact OE1-OG 3.32Å
300	W	97.1	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-116.3	38.3	-177.6	-53.9	-20.2	0	0	0	111.8	F47 L58 Q102 F259 L260 H278 N298 W304	F47-W300 HydrophobicContact CE2-CE3 4.4Å; F47-W300 HydrophobicContact CE2-CZ3 4.48Å; F47-W300 HydrophobicContact CZ-CD2 4.44Å; F47-W300 AromaticContact CZ-CE3 3.82Å; F47-W300 HydrophobicContact CZ-CE3 3.82Å; F47-W300 HydrophobicContact CZ-CZ3 4.25Å; L58-W300 HydrophobicContact CB-CZ2 3.95Å; L58-W300 HydrophobicContact CD1-CD2 4.06Å; L58-W300 HydrophobicContact CD1-CG 4.28Å; L58-W300 HydrophobicContact CD1-CZ2 4.47Å; L58-W300 HydrophobicContact CD2-CG 4.44Å; Q102-W300 VanDerWaalsContact OE1-CD1 3.28Å; Q102-W300 VanDerWaalsContact OE1-NE1 3.11Å; F259-W300 HydrophobicContact CD1-CH2 4.03Å; F259-W300 HydrophobicContact CD1-CZ3 4.1Å; F259-W300 AromaticContact CE1-CH2 3.84Å; F259-W300 HydrophobicContact CE1-CH2 3.84Å; F259-W300 AromaticContact CE1-CZ3 3.81Å; F259-W300 HydrophobicContact CE1-CZ3 3.81Å; L260-W300 HydrophobicContact CD2-CH2 3.79Å; L260-W300 HydrophobicContact CD2-CZ3 3.85Å; H278-W300 AromaticContact CD2-CZ2 3.79Å; H278-W300 AromaticContact CE1-CE2 3.64Å; H278-W300 AromaticContact CE1-CZ2 3.69Å; H278-W300 AromaticContact CE1-NE1 3.26Å; H278-W300 PolarHBondContact CE1-NE1 2.79Å; H278-W300 VanDerWaalsContact CE1-NE1 3.26Å; H278-W300 AromaticContact ND1-CZ2 3.97Å; H278-W300 AromaticContact NE2-CE2 3.61Å; H278-W300 AromaticContact NE2-CZ2 3.56Å; H278-W300 AromaticContact NE2-NE1 3.6Å; N298-W300 VanDerWaalsContact ND2-CD2 3.29Å; W300-W304 HydrophobicContact CB-CB 4.34Å; W300-W304 HydrophobicContact CB-CG 4.43Å; W300-W304 AromaticContact CE3-CD1 3.79Å; W300-W304 AromaticContact CE3-CD2 3.98Å; W300-W304 HydrophobicContact CE3-CD2 3.98Å; W300-W304 AromaticContact CE3-CE2 3.67Å; W300-W304 HydrophobicContact CE3-CG 4.09Å; W300-W304 HydrophobicContact CE3-CZ2 4.21Å; W300-W304 AromaticContact CE3-NE1 3.56Å; W300-W304 AromaticContact CZ3-CE2 3.82Å; W300-W304 AromaticContact CZ3-CZ2 3.98Å; W300-W304 HydrophobicContact CZ3-CZ2 3.98Å; W300-W304 AromaticContact CZ3-NE1 3.73Å
301	N	95.5	Very high	97.9	Very high	20 Å²	20	23.3 Å²	23.3	11%	0.107	13%	0.13	C	C	.	.			trans	67	171.4	179.9	-142	-49.9	0	0	0	114.4	R100 D101 R195 D303 G308	R100-N301 PolarHBondContact O-N 2.98Å; R100-N301 VanDerWaalsContact O-N 3.11Å; D101-N301 HydrophobicContact CB-CB 4.09Å; D101-N301 WeakPolarHBondContact OD2-CB 3.42Å; D101-N301 PolarHBondContact OD2-ND2 3.22Å; R195-N301 VanDerWaalsContact CZ-ND2 3.29Å; R195-N301 PolarHBondContact NH1-ND2 3.04Å; R195-N301 VanDerWaalsContact NH1-ND2 3.15Å; R195-N301 PolarHBondContact NH2-ND2 3.41Å; R195-N301 PolarHBondContact NH2-OD1 3.4Å; N301-D303 VanDerWaalsContact C-N 3.31Å; N301-D303 PolarHBondContact O-N 2.99Å; N301-G308 VanDerWaalsContact O-CA 3.29Å; N301-G308 WeakPolarHBondContact O-CA 3.43Å
302	T	95.8	Very high	97.9	Very high	73 Å²	73	22.2 Å²	22.2	45%	0.448	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.5	-175.3	53.6	0	0	0	0	113.8	I99 W304 N307 G308	I99-T302 HydrophobicContact CB-CG2 3.71Å; I99-T302 HydrophobicContact CG1-CG2 4.28Å; I99-T302 HydrophobicContact CG2-CG2 3.91Å; T302-W304 VanDerWaalsContact C-N 3.35Å; T302-N307 CarbonylContact O-C 3.58Å; T302-N307 VanDerWaalsContact O-C 3.31Å; T302-N307 WeakPolarHBondContact O-CA 3.49Å; T302-G308 PolarHBondContact O-N 3.16Å
303	D	93.7	Very high	97.9	Very high	32 Å²	32	20.4 Å²	20.4	17%	0.171	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.3	-178.5	52.7	18.1	0	0	0	113.1	H189 H190 R195 N301	H189-D303 IonicContact CE1-OD1 3.36Å; H189-D303 PolarHBondContact CE1-OD1 3.2Å; H189-D303 IonicContact NE2-OD1 3.13Å; H190-D303 HydrophobicContact CB-CB 4.31Å; H190-D303 IonicContact CE1-OD2 3.44Å; H190-D303 PolarHBondContact CE1-OD2 3.15Å; H190-D303 IonicContact CG-OD2 2.69Å; H190-D303 VanDerWaalsContact ND1-CG 3.26Å; H190-D303 IonicContact ND1-OD2 2.56Å; H190-D303 PolarHBondContact ND1-OD2 3.49Å; H190-D303 IonicContact NE2-OD2 3.27Å; R195-D303 IonicContact CZ-OD2 3.95Å; R195-D303 IonicContact NH1-OD2 3.78Å; R195-D303 PolarHBondContact NH1-OD2 3.42Å; R195-D303 IonicContact NH2-OD2 2.99Å; N301-D303 VanDerWaalsContact C-N 3.31Å; N301-D303 PolarHBondContact O-N 2.99Å
304	W	96.1	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-89.5	140	170.6	-179.4	94.9	0	0	0	111.4	N46 F47 F259 L260 Y262 N298 W300 T302 G308 F310	N46-W304 VanDerWaalsContact CB-CD1 3.43Å; N46-W304 HydrophobicContact CB-CG 4.32Å; F47-W304 AromaticContact CE2-CD1 3.56Å; F47-W304 AromaticContact CE2-NE1 3.66Å; F47-W304 AromaticContact CZ-CD1 3.63Å; F259-W304 HydrophobicContact CD1-CZ2 4.2Å; F259-W304 AromaticContact CE1-CH2 3.78Å; F259-W304 HydrophobicContact CE1-CH2 3.78Å; F259-W304 AromaticContact CE1-CZ2 3.59Å; F259-W304 HydrophobicContact CE1-CZ2 3.59Å; F259-W304 AromaticContact CE2-CH2 3.98Å; F259-W304 HydrophobicContact CE2-CH2 3.98Å; F259-W304 HydrophobicContact CE2-CZ2 4.24Å; F259-W304 AromaticContact CZ-CH2 3.35Å; F259-W304 HydrophobicContact CZ-CH2 3.35Å; F259-W304 AromaticContact CZ-CZ2 3.63Å; F259-W304 HydrophobicContact CZ-CZ2 3.63Å; F259-W304 HydrophobicContact CZ-CZ3 4.5Å; L260-W304 PolarHBondContact O-NE1 3.42Å; Y262-W304 AromaticContact CD1-CH2 3.94Å; Y262-W304 HydrophobicContact CD1-CH2 3.94Å; Y262-W304 HydrophobicContact CD1-CZ2 4.39Å; Y262-W304 HydrophobicContact CD1-CZ3 4.33Å; Y262-W304 HydrophobicContact CG-CH2 4.36Å; N298-W304 HydrophobicContact CB-CE3 3.94Å; N298-W304 HydrophobicContact CB-CZ3 3.78Å; N298-W304 VanDerWaalsContact ND2-CE3 3.28Å; N298-W304 WeakPolarHBondContact ND2-CH2 3.31Å; N298-W304 WeakPolarHBondContact ND2-CZ3 3.45Å; W300-W304 HydrophobicContact CB-CB 4.34Å; W300-W304 HydrophobicContact CB-CG 4.43Å; W300-W304 AromaticContact CE3-CD1 3.79Å; W300-W304 AromaticContact CE3-CD2 3.98Å; W300-W304 HydrophobicContact CE3-CD2 3.98Å; W300-W304 AromaticContact CE3-CE2 3.67Å; W300-W304 HydrophobicContact CE3-CG 4.09Å; W300-W304 HydrophobicContact CE3-CZ2 4.21Å; W300-W304 AromaticContact CE3-NE1 3.56Å; W300-W304 AromaticContact CZ3-CE2 3.82Å; W300-W304 AromaticContact CZ3-CZ2 3.98Å; W300-W304 HydrophobicContact CZ3-CZ2 3.98Å; W300-W304 AromaticContact CZ3-NE1 3.73Å; T302-W304 VanDerWaalsContact C-N 3.35Å; W304-G308 VanDerWaalsContact O-CA 3.24Å; W304-G308 WeakPolarHBondContact O-CA 3.2Å; W304-G308 PolarHBondContact O-N 3.19Å; W304-F310 HydrophobicContact CH2-CB 3.83Å; W304-F310 AromaticContact CH2-CD1 3.8Å; W304-F310 HydrophobicContact CH2-CD1 3.8Å; W304-F310 AromaticContact CH2-CG 3.92Å; W304-F310 HydrophobicContact CH2-CG 3.92Å; W304-F310 HydrophobicContact CZ3-CB 3.89Å; W304-F310 AromaticContact CZ3-CD1 3.71Å; W304-F310 HydrophobicContact CZ3-CD1 3.71Å; W304-F310 HydrophobicContact CZ3-CG 4.11Å
305	G	97.3	Very high	97.9	Very high	16 Å²	16	21.2 Å²	21.2	17%	0.165	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-136.1	172.6	0	0	0	0	0	114	N46 Y262 K263	N46-G305 PolarHBondContact OD1-N 3.13Å; Y262-G305 WeakPolarHBondContact O-CA 3.33Å; K263-G305 CarbonylContact O-C 3.51Å
306	D	98.3	Very high	97.8	Very high	65 Å²	65	27.2 Å²	27.2	35%	0.348	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-99.5	83.2	176.8	-177.3	10.2	0	0	0	109.5	G308 F309	D306-G308 VanDerWaalsContact C-N 3.28Å; D306-G308 PolarHBondContact O-N 3.08Å; D306-F309 PolarHBondContact N-O 3.21Å; D306-F309 WeakPolarHBondContact O-CB 3.4Å; D306-F309 PolarHBondContact O-N 3.26Å
307	N	97.8	Very high	97.8	Very high	110 Å²	110	29.2 Å²	29.2	59%	0.588	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	36.7	-177.8	-58.3	-81.5	0	0	0	113.3	T302 F309	T302-N307 CarbonylContact O-C 3.58Å; T302-N307 VanDerWaalsContact O-C 3.31Å; T302-N307 WeakPolarHBondContact O-CA 3.49Å; N307-F309 VanDerWaalsContact C-N 3.26Å; N307-F309 HydrophobicContact CB-CD2 4.44Å; N307-F309 VanDerWaalsContact O-CD2 3.27Å; N307-F309 WeakPolarHBondContact O-CD2 3.2Å; N307-F309 PolarHBondContact O-N 2.98Å
308	G	98	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-6.1	-174.3	0	0	0	0	0	114.7	N298 N301 T302 W304 D306	N298-G308 VanDerWaalsContact CB-O 3.24Å; N298-G308 WeakPolarHBondContact CB-O 3.5Å; N298-G308 PolarHBondContact N-O 2.83Å; N301-G308 VanDerWaalsContact O-CA 3.29Å; N301-G308 WeakPolarHBondContact O-CA 3.43Å; T302-G308 PolarHBondContact O-N 3.16Å; W304-G308 VanDerWaalsContact O-CA 3.24Å; W304-G308 WeakPolarHBondContact O-CA 3.2Å; W304-G308 PolarHBondContact O-N 3.19Å; D306-G308 VanDerWaalsContact C-N 3.28Å; D306-G308 PolarHBondContact O-N 3.08Å
309	F	98.9	Very high	97.8	Very high	17 Å²	17	31.7 Å²	31.7	8%	0.075	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	162.2	174.5	-57.5	-93.1	0	0	0	111.2	R87 I99 L283 L295 V296 A297 D306 N307	R87-F309 VanDerWaalsContact NH1-CZ 3.33Å; I99-F309 HydrophobicContact CD1-CD1 4.11Å; I99-F309 HydrophobicContact CD1-CD2 4.11Å; I99-F309 HydrophobicContact CD1-CE1 3.79Å; I99-F309 HydrophobicContact CD1-CE2 3.77Å; I99-F309 HydrophobicContact CD1-CG 4.26Å; I99-F309 HydrophobicContact CD1-CZ 3.59Å; I99-F309 HydrophobicContact CG1-CD2 4.19Å; I99-F309 HydrophobicContact CG1-CE1 4.46Å; I99-F309 HydrophobicContact CG1-CE2 3.61Å; I99-F309 HydrophobicContact CG1-CZ 3.76Å; L283-F309 HydrophobicContact CD1-CE1 4.09Å; L283-F309 HydrophobicContact CD2-CD1 4.21Å; L283-F309 HydrophobicContact CD2-CE1 4.19Å; L295-F309 HydrophobicContact CD1-CB 4.49Å; V296-F309 CarbonylContact O-C 3.58Å; V296-F309 VanDerWaalsContact O-CA 3.28Å; V296-F309 WeakPolarHBondContact O-CA 3.48Å; A297-F309 HydrophobicContact CB-CD1 3.97Å; A297-F309 HydrophobicContact CB-CE1 3.86Å; D306-F309 PolarHBondContact N-O 3.21Å; D306-F309 WeakPolarHBondContact O-CB 3.4Å; D306-F309 PolarHBondContact O-N 3.26Å; N307-F309 VanDerWaalsContact C-N 3.26Å; N307-F309 HydrophobicContact CB-CD2 4.44Å; N307-F309 VanDerWaalsContact O-CD2 3.27Å; N307-F309 WeakPolarHBondContact O-CD2 3.2Å; N307-F309 PolarHBondContact O-N 2.98Å
310	F	98.9	Very high	97.8	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165.7	167.2	67.7	-78.9	0	0	0	110.9	F253 F259 Y262 I280 V296 N298 W304 I312	F253-F310 AromaticContact CE1-CZ 3.97Å; F253-F310 HydrophobicContact CE1-CZ 3.97Å; F253-F310 HydrophobicContact CZ-CE2 4.33Å; F253-F310 AromaticContact CZ-CZ 3.99Å; F253-F310 HydrophobicContact CZ-CZ 3.99Å; F259-F310 AromaticContact CE2-CD2 3.58Å; F259-F310 HydrophobicContact CE2-CD2 3.58Å; F259-F310 AromaticContact CE2-CE2 3.63Å; F259-F310 HydrophobicContact CE2-CE2 3.63Å; F259-F310 HydrophobicContact CE2-CG 4.06Å; F259-F310 HydrophobicContact CE2-CZ 4.16Å; F259-F310 HydrophobicContact CZ-CD1 4.05Å; F259-F310 AromaticContact CZ-CD2 3.84Å; F259-F310 HydrophobicContact CZ-CD2 3.84Å; F259-F310 AromaticContact CZ-CE1 3.91Å; F259-F310 HydrophobicContact CZ-CE1 3.91Å; F259-F310 AromaticContact CZ-CE2 3.69Å; F259-F310 HydrophobicContact CZ-CE2 3.69Å; F259-F310 AromaticContact CZ-CG 4Å; F259-F310 HydrophobicContact CZ-CG 4Å; F259-F310 AromaticContact CZ-CZ 3.71Å; F259-F310 HydrophobicContact CZ-CZ 3.71Å; Y262-F310 HydrophobicContact CD1-CB 3.63Å; Y262-F310 HydrophobicContact CE1-CB 3.3Å; Y262-F310 HydrophobicContact CE2-CB 4.3Å; Y262-F310 HydrophobicContact CG-CB 4.27Å; I280-F310 HydrophobicContact CG2-CE1 4.18Å; I280-F310 HydrophobicContact CG2-CZ 4.18Å; V296-F310 HydrophobicContact CB-CD1 4.01Å; V296-F310 HydrophobicContact CB-CD2 4.34Å; V296-F310 HydrophobicContact CB-CE1 3.61Å; V296-F310 HydrophobicContact CB-CE2 3.97Å; V296-F310 HydrophobicContact CB-CG 4.37Å; V296-F310 HydrophobicContact CB-CZ 3.6Å; V296-F310 HydrophobicContact CG1-CD1 4.2Å; V296-F310 HydrophobicContact CG1-CE1 3.36Å; V296-F310 HydrophobicContact CG1-CE2 4.19Å; V296-F310 HydrophobicContact CG1-CZ 3.36Å; V296-F310 HydrophobicContact CG2-CE2 4.21Å; V296-F310 HydrophobicContact CG2-CZ 4.19Å; V296-F310 PolarHBondContact N-O 2.78Å; V296-F310 PolarHBondContact O-N 3.29Å; N298-F310 HydrophobicContact CB-CD1 4.18Å; N298-F310 HydrophobicContact CB-CE1 4.15Å; W304-F310 HydrophobicContact CH2-CB 3.83Å; W304-F310 AromaticContact CH2-CD1 3.8Å; W304-F310 HydrophobicContact CH2-CD1 3.8Å; W304-F310 AromaticContact CH2-CG 3.92Å; W304-F310 HydrophobicContact CH2-CG 3.92Å; W304-F310 HydrophobicContact CZ3-CB 3.89Å; W304-F310 AromaticContact CZ3-CD1 3.71Å; W304-F310 HydrophobicContact CZ3-CD1 3.71Å; W304-F310 HydrophobicContact CZ3-CG 4.11Å; F310-I312 HydrophobicContact CD2-CB 4.22Å; F310-I312 HydrophobicContact CE2-CB 3.96Å; F310-I312 HydrophobicContact CE2-CG2 3.99Å
311	K	98.9	Very high	97.9	Very high	37 Å²	37	32.5 Å²	32.5	16%	0.161	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.5	171.2	-59.9	164.1	-174.5	150.3	0	108.9	Y262 G265 V266 Y267 E288 Y293 W294	Y262-K311 PolarHBondContact OH-N 3.39Å; G265-K311 WeakPolarHBondContact O-CB 3.4Å; V266-K311 HydrophobicContact CG2-CB 4.35Å; Y267-K311 VanDerWaalsContact CB-O 3.3Å; Y267-K311 WeakPolarHBondContact CB-O 3.36Å; Y267-K311 PolarHBondContact N-O 2.88Å; E288-K311 IonicContact OE2-NZ 2.66Å; E288-K311 PolarHBondContact OE2-NZ 3.42Å; Y293-K311 HydrophobicContact CD1-CD 4.23Å; Y293-K311 HydrophobicContact CD2-CB 3.83Å; Y293-K311 HydrophobicContact CD2-CD 3.92Å; Y293-K311 HydrophobicContact CD2-CG 3.6Å; Y293-K311 HydrophobicContact CE1-CD 4.17Å; Y293-K311 HydrophobicContact CE2-CD 3.88Å; Y293-K311 HydrophobicContact CE2-CG 3.85Å; Y293-K311 HydrophobicContact CG-CB 3.94Å; Y293-K311 HydrophobicContact CG-CD 4.12Å; Y293-K311 HydrophobicContact CG-CG 4.09Å; W294-K311 VanDerWaalsContact O-CA 3.24Å; W294-K311 WeakPolarHBondContact O-CA 3.09Å
312	I	98.9	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.9	177.4	-176.6	166.6	0	0	0	110.1	F253 Y267 Y293 W294 V296 F310 R314 I321	F253-I312 HydrophobicContact CD2-CD1 4.08Å; F253-I312 HydrophobicContact CE2-CD1 4.39Å; Y267-I312 HydrophobicContact CD1-CD1 3.87Å; Y267-I312 HydrophobicContact CD1-CG1 3.94Å; Y267-I312 HydrophobicContact CE1-CD1 4.28Å; Y293-I312 CarbonylContact C-O 3.56Å; Y293-I312 WeakPolarHBondContact CA-O 3.17Å; W294-I312 HydrophobicContact CB-CG2 3.99Å; W294-I312 PolarHBondContact N-O 3.46Å; W294-I312 PolarHBondContact O-N 3Å; V296-I312 HydrophobicContact CG2-CG2 3.93Å; F310-I312 HydrophobicContact CD2-CB 4.22Å; F310-I312 HydrophobicContact CE2-CB 3.96Å; F310-I312 HydrophobicContact CE2-CG2 3.99Å; I312-R314 PolarHBondContact O-N 2.97Å; I312-I321 HydrophobicContact CD1-CB 4.29Å; I312-I321 HydrophobicContact CD1-CD1 4.48Å; I312-I321 HydrophobicContact CD1-CG1 4.39Å; I312-I321 HydrophobicContact CG2-CD1 4.25Å; I312-I321 HydrophobicContact CG2-CG1 3.87Å
313	L	98.9	Very high	98.1	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	126.9	-178.6	-176.5	69.1	0	0	0	112	V266 Y267 Q268 T291 Q316 H318	V266-L313 HydrophobicContact CG1-CB 4.44Å; Y267-L313 PolarHBondContact O-N 3.16Å; Y267-L313 VanDerWaalsContact O-N 3.17Å; Q268-L313 HydrophobicContact CG-CB 3.9Å; Q268-L313 HydrophobicContact CG-CD1 4.48Å; Q268-L313 HydrophobicContact CG-CD2 3.99Å; Q268-L313 HydrophobicContact CG-CG 4.35Å; T291-L313 HydrophobicContact CG2-CD1 3.74Å; L313-Q316 HydrophobicContact CD2-CB 4.25Å; L313-Q316 HydrophobicContact CD2-CG 4.29Å; L313-H318 HydrophobicContact CB-CB 3.94Å; L313-H318 HydrophobicContact CD2-CB 4.14Å; L313-H318 HydrophobicContact CG-CB 4.35Å
314	R	98.8	Very high	98.3	Very high	17 Å²	17	31 Å²	31	6%	0.064	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	150.2	179.7	169.7	171.1	61	85.3	14	111.6	E236 G286 P292 Y293 W294 I312	E236-R314 HydrophobicContact CG-CG 3.83Å; E236-R314 WeakPolarHBondContact OE1-CG 3.05Å; E236-R314 IonicContact OE1-CZ 3.91Å; E236-R314 IonicContact OE1-NE 3.99Å; E236-R314 IonicContact OE1-NH1 2.98Å; E236-R314 PolarHBondContact OE1-NH1 2.95Å; G286-R314 PolarHBondContact O-NH2 3.26Å; P292-R314 HydrophobicContact CB-CB 4.41Å; P292-R314 PolarHBondContact O-N 3.2Å; Y293-R314 VanDerWaalsContact C-CB 3.49Å; Y293-R314 PolarHBondContact O-NE 3.4Å; W294-R314 HydrophobicContact CD2-CB 4.13Å; W294-R314 HydrophobicContact CD2-CG 3.9Å; W294-R314 VanDerWaalsContact CE2-CD 3.45Å; W294-R314 HydrophobicContact CG-CB 3.98Å; W294-R314 HydrophobicContact CG-CG 4.29Å; W294-R314 HydrophobicContact CH2-CG 4.32Å; W294-R314 HydrophobicContact CZ2-CG 3.64Å; I312-R314 PolarHBondContact O-N 2.97Å
315	G	98.3	Very high	98.4	Very high	34 Å²	34	31.1 Å²	31.1	35%	0.351	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	12.9	174.1	0	0	0	0	0	114.1	E322	G315-E322 PolarHBondContact N-OE1 3.07Å
316	Q	98.5	Very high	98.5	Very high	139 Å²	139	30.8 Å²	30.8	65%	0.65	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.4	10.9	-179.5	-63.3	-170.6	34.6	0	0	112.7	L313 H318	L313-Q316 HydrophobicContact CD2-CB 4.25Å; L313-Q316 HydrophobicContact CD2-CG 4.29Å; Q316-H318 PolarHBondContact O-N 2.96Å; Q316-H318 VanDerWaalsContact O-N 3.08Å
317	D	98.6	Very high	98.5	Very high	43 Å²	43	27.7 Å²	27.7	23%	0.23	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	41.5	-170.6	-165.4	27.2	0	0	0	112.5	C319 G320 I321 E322 S323	D317-C319 PolarHBondContact O-N 3.12Å; D317-G320 WeakPolarHBondContact O-CA 3.49Å; D317-G320 PolarHBondContact O-N 2.04Å; D317-G320 WeakPolarHBondContact OD1-CA 3.22Å; D317-I321 PolarHBondContact OD1-N 3.17Å; D317-E322 WeakPolarHBondContact CA-OE2 3.3Å; D317-E322 HydrophobicContact CB-CB 4.26Å; D317-E322 PolarHBondContact N-OE2 2.91Å; D317-E322 VanDerWaalsContact OD1-CA 3.32Å; D317-E322 WeakPolarHBondContact OD1-CA 3.47Å; D317-E322 WeakPolarHBondContact OD1-CB 3.4Å; D317-E322 PolarHBondContact OD1-N 2.97Å; D317-S323 PolarHBondContact OD1-N 2.98Å; D317-S323 VanDerWaalsContact OD1-N 3.09Å; D317-S323 PolarHBondContact OD2-OG 2.81Å
318	H	98.7	Very high	98.5	Very high	30 Å²	30	22.5 Å²	22.5	14%	0.139	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-63.2	125.8	-170.4	-178.8	-77.5	0	0	0	109.9	H269 L313 Q316 G320 I321	H269-H318 PolarHBondContact N-CE1 3.31Å; H269-H318 PolarHBondContact N-NE2 2.95Å; L313-H318 HydrophobicContact CB-CB 3.94Å; L313-H318 HydrophobicContact CD2-CB 4.14Å; L313-H318 HydrophobicContact CG-CB 4.35Å; Q316-H318 PolarHBondContact O-N 2.96Å; Q316-H318 VanDerWaalsContact O-N 3.08Å; H318-G320 PolarHBondContact O-N 3.31Å; H318-G320 VanDerWaalsContact O-N 3.15Å; H318-I321 WeakPolarHBondContact O-CB 3.4Å; H318-I321 VanDerWaalsContact O-CG2 3.28Å; H318-I321 WeakPolarHBondContact O-CG2 3.49Å; H318-I321 PolarHBondContact O-N 3.14Å
319	C	98.5	Very high	98.5	Very high	24 Å²	24	24.1 Å²	24.1	16%	0.162	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	57.1	16.3	-170.8	-62.9	0	0	0	0	114.8	F253 S254 D317	F253-C319 CarbonylContact C-O 3.57Å; F253-C319 WeakPolarHBondContact CA-O 3.44Å; F253-C319 HydrophobicContact CB-CB 4.2Å; F253-C319 WeakPolarHBondContact CB-O 3.41Å; F253-C319 HydrophobicContact CD2-CB 3.99Å; S254-C319 PolarHBondContact N-O 2.97Å; S254-C319 WeakPolarHBondContact O-CB 3.35Å; D317-C319 PolarHBondContact O-N 3.12Å
320	G	98.5	Very high	98.5	Very high	21 Å²	21	23.5 Å²	23.5	22%	0.216	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	82.7	12.2	-177.3	0	0	0	0	0	114.9	A252 D317 H318 E322 S323	A252-G320 VanDerWaalsContact O-O 3.1Å; D317-G320 WeakPolarHBondContact O-CA 3.49Å; D317-G320 PolarHBondContact O-N 2.04Å; D317-G320 WeakPolarHBondContact OD1-CA 3.22Å; H318-G320 PolarHBondContact O-N 3.31Å; H318-G320 VanDerWaalsContact O-N 3.15Å; G320-E322 PolarHBondContact O-N 2.66Å; G320-E322 VanDerWaalsContact O-N 3.09Å; G320-S323 WeakPolarHBondContact O-CB 3.49Å; G320-S323 PolarHBondContact O-N 2.82Å
321	I	98.8	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.9	-173.3	-166.5	68.3	0	0	0	114.4	F253 I280 I282 I312 D317 H318	F253-I321 HydrophobicContact CB-CB 4.17Å; F253-I321 HydrophobicContact CB-CD1 3.8Å; F253-I321 HydrophobicContact CD1-CD1 3.77Å; F253-I321 HydrophobicContact CG-CD1 3.92Å; I280-I321 HydrophobicContact CD1-CD1 3.95Å; I280-I321 HydrophobicContact CG1-CD1 4.04Å; I282-I321 HydrophobicContact CD1-CG1 4.47Å; I312-I321 HydrophobicContact CD1-CB 4.29Å; I312-I321 HydrophobicContact CD1-CD1 4.48Å; I312-I321 HydrophobicContact CD1-CG1 4.39Å; I312-I321 HydrophobicContact CG2-CD1 4.25Å; I312-I321 HydrophobicContact CG2-CG1 3.87Å; D317-I321 PolarHBondContact OD1-N 3.17Å; H318-I321 WeakPolarHBondContact O-CB 3.4Å; H318-I321 VanDerWaalsContact O-CG2 3.28Å; H318-I321 WeakPolarHBondContact O-CG2 3.49Å; H318-I321 PolarHBondContact O-N 3.14Å
322	E	98.7	Very high	97.9	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.042	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-5.1	179.5	-68.2	153.8	-166.3	0	0	112.1	N234 I239 W294 G315 D317 G320	N234-E322 WeakPolarHBondContact CA-O 3.44Å; N234-E322 WeakPolarHBondContact ND2-CB 3.39Å; N234-E322 PolarHBondContact ND2-O 3.3Å; I239-E322 HydrophobicContact CD1-CB 3.67Å; I239-E322 HydrophobicContact CD1-CG 3.75Å; W294-E322 HydrophobicContact CZ2-CG 4.16Å; W294-E322 PolarHBondContact NE1-OE1 2.76Å; G315-E322 PolarHBondContact N-OE1 3.07Å; D317-E322 WeakPolarHBondContact CA-OE2 3.3Å; D317-E322 HydrophobicContact CB-CB 4.26Å; D317-E322 PolarHBondContact N-OE2 2.91Å; D317-E322 VanDerWaalsContact OD1-CA 3.32Å; D317-E322 WeakPolarHBondContact OD1-CA 3.47Å; D317-E322 WeakPolarHBondContact OD1-CB 3.4Å; D317-E322 PolarHBondContact OD1-N 2.97Å; G320-E322 PolarHBondContact O-N 2.66Å; G320-E322 VanDerWaalsContact O-N 3.09Å
323	S	97.8	Very high	97.4	Very high	44 Å²	44	31.3 Å²	31.3	31%	0.308	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-26	-172.4	-94.3	0	0	0	0	114.5	D317 G320	D317-S323 PolarHBondContact OD1-N 2.98Å; D317-S323 VanDerWaalsContact OD1-N 3.09Å; D317-S323 PolarHBondContact OD2-OG 2.81Å; G320-S323 WeakPolarHBondContact O-CB 3.49Å; G320-S323 PolarHBondContact O-N 2.82Å
324	E	97.1	Very high	96.8	Very high	41 Å²	41	32 Å²	32	19%	0.192	18%	0.176	C	C	.	.	S	Bend	trans	-127.3	43.5	-173.2	-68.5	-169	-146	0	0	112.7	L63 G64 G251 A252	L63-E324 VanDerWaalsContact CA-OE1 3.3Å; L63-E324 WeakPolarHBondContact CA-OE1 3.28Å; L63-E324 WeakPolarHBondContact CB-OE1 3.17Å; G64-E324 PolarHBondContact N-OE1 2.75Å; G251-E324 WeakPolarHBondContact CA-O 3.16Å; A252-E324 HydrophobicContact CB-CB 4.13Å
325	V	98.7	Very high	95.9	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	18%	0.175	C	C	.	.			trans	-83.1	118.9	176.5	-177.2	0	0	0	0	110.5	V232 I239 V249 E250 I282	V232-V325 HydrophobicContact CB-CB 4.14Å; V232-V325 HydrophobicContact CB-CG1 3.9Å; V232-V325 HydrophobicContact CG2-CB 4.49Å; V232-V325 HydrophobicContact CG2-CG1 3.77Å; V232-V325 PolarHBondContact N-O 2.96Å; I239-V325 HydrophobicContact CD1-CG2 3.79Å; I239-V325 HydrophobicContact CG1-CB 4.36Å; I239-V325 HydrophobicContact CG1-CG1 4.43Å; I239-V325 HydrophobicContact CG1-CG2 4.09Å; I239-V325 HydrophobicContact CG2-CG1 4.46Å; I239-V325 HydrophobicContact CG2-CG2 4.47Å; V249-V325 HydrophobicContact CB-CG1 3.75Å; V249-V325 HydrophobicContact CG1-CG1 4.24Å; V249-V325 HydrophobicContact CG2-CG1 3.51Å; E250-V325 CarbonylContact O-C 3.56Å; E250-V325 WeakPolarHBondContact O-CA 3.01Å; I282-V325 HydrophobicContact CD1-CG2 4.23Å
326	V	98.7	Very high	94.8	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.1	177.7	-65.7	0	0	0	0	111.3	P68 P155 Y230 E250	P68-V326 HydrophobicContact CG-CG1 4.22Å; P155-V326 HydrophobicContact CB-CG2 4.07Å; Y230-V326 WeakPolarHBondContact O-CA 3.32Å; E250-V326 HydrophobicContact CB-CG2 4.07Å; E250-V326 HydrophobicContact CG-CG2 4.32Å; E250-V326 PolarHBondContact N-O 2.64Å; E250-V326 VanDerWaalsContact N-O 3.09Å; E250-V326 PolarHBondContact O-N 2.88Å; E250-V326 VanDerWaalsContact O-O 3.13Å
327	A	98.7	Very high	93.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	-179.7	-176.4	0	0	0	0	0	111.2	S229 Y230 V249	S229-A327 CarbonylContact C-O 3.25Å; S229-A327 WeakPolarHBondContact CA-O 3.02Å; Y230-A327 HydrophobicContact CD2-CB 4.17Å; Y230-A327 HydrophobicContact CE2-CB 3.51Å; Y230-A327 PolarHBondContact N-O 2.75Å; Y230-A327 PolarHBondContact O-N 3.06Å; V249-A327 HydrophobicContact CG1-CB 4.02Å
328	G	98.1	Very high	91.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	164	179.2	0	0	0	0	0	111.6	R120 W159 N228 Y230	R120-G328 WeakPolarHBondContact CD-O 3.44Å; R120-G328 PolarHBondContact NH1-O 3.23Å; W159-G328 VanDerWaalsContact CE3-N 3.29Å; N228-G328 WeakPolarHBondContact O-CA 3.27Å; Y230-G328 VanDerWaalsContact CE1-CA 3.45Å
329	I	97.9	Very high	89.5	Confident	35 Å²	35	47.6 Å²	47.6	18%	0.179	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.6	175.3	-61.5	-59.1	0	0	0	109.1	Y227 N228 Y230 N246	Y227-I329 WeakPolarHBondContact CB-O 3.26Å; Y227-I329 PolarHBondContact N-O 3.47Å; N228-I329 PolarHBondContact O-N 2.57Å; N228-I329 PolarHBondContact OD1-N 2.02Å; Y230-I329 HydrophobicContact CE1-CG1 4.11Å; N246-I329 HydrophobicContact CB-CD1 4.31Å
330	P	97.8	Very high	89	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.019	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	148.3	177.9	28.4	-34.9	0	0	0	111.2	I121 H124 W162 T332	I121-P330 HydrophobicContact CG1-CB 4.03Å; H124-P330 HydrophobicContact CB-CG 3.57Å; W162-P330 VanDerWaalsContact CH2-CA 3.46Å; W162-P330 HydrophobicContact CH2-CB 4.02Å; W162-P330 HydrophobicContact CZ2-CB 3.83Å; P330-T332 HydrophobicContact CG-CG2 4.22Å; P330-T332 PolarHBondContact O-N 3.04Å; P330-T332 VanDerWaalsContact O-N 3.09Å
331	R	96	Very high	88.5	Confident	83 Å²	83	50.2 Å²	50.2	31%	0.313	24%	0.239	S	C	.	.			trans	-75.7	94.3	172.3	-173.1	178.4	70.5	-171	0.5	109.1	Y225 D333 Q334	Y225-R331 VanDerWaalsContact O-CB 3.32Å; Y225-R331 WeakPolarHBondContact O-CB 3.42Å; Y225-R331 PolarHBondContact O-N 3.37Å; R331-D333 WeakPolarHBondContact CG-OD1 3.17Å; R331-D333 WeakPolarHBondContact CG-OD2 3.35Å; R331-Q334 VanDerWaalsContact NH2-OE1 3.15Å; R331-Q334 VanDerWaalsContact O-CD 3.26Å; R331-Q334 WeakPolarHBondContact O-CG 3.21Å; R331-Q334 PolarHBondContact O-NE2 3.25Å
332	T	90	Very high	88	Confident	40 Å²	40	53 Å²	53	25%	0.245	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-25.4	-169.6	52.4	0	0	0	0	114.1	H124 T125 P330 Q334 Y335 W336	H124-T332 HydrophobicContact CB-CG2 3.91Å; T125-T332 HydrophobicContact CG2-CG2 4.28Å; P330-T332 HydrophobicContact CG-CG2 4.22Å; P330-T332 PolarHBondContact O-N 3.04Å; P330-T332 VanDerWaalsContact O-N 3.09Å; T332-Q334 PolarHBondContact O-N 3.35Å; T332-Y335 WeakPolarHBondContact O-CB 3.32Å; T332-Y335 WeakPolarHBondContact O-CD2 3.48Å; T332-Y335 PolarHBondContact O-N 2.79Å; T332-W336 PolarHBondContact O-N 2.85Å
333	D	87.7	Confident	87.3	Confident	80 Å²	80	55.6 Å²	55.6	43%	0.428	27%	0.265	S	S	.	.	H	α-helix	trans	-52.7	-34.5	173.6	48	-58.5	0	0	0	112.8	R331 Y335 W336 E337	R331-D333 WeakPolarHBondContact CG-OD1 3.17Å; R331-D333 WeakPolarHBondContact CG-OD2 3.35Å; D333-Y335 PolarHBondContact O-N 2.99Å; D333-Y335 VanDerWaalsContact O-N 3.08Å; D333-W336 PolarHBondContact O-N 3.35Å; D333-E337 PolarHBondContact O-N 2.94Å
334	Q	86.1	Confident	86.7	Confident	19 Å²	19	56.3 Å²	56.3	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-18	177.8	83.6	-165.2	-36.2	0	0	114.3	Y225 R331 T332	Y225-Q334 PolarHBondContact O-NE2 3.35Å; R331-Q334 VanDerWaalsContact NH2-OE1 3.15Å; R331-Q334 VanDerWaalsContact O-CD 3.26Å; R331-Q334 WeakPolarHBondContact O-CG 3.21Å; R331-Q334 PolarHBondContact O-NE2 3.25Å; T332-Q334 PolarHBondContact O-N 3.35Å
335	Y	81.3	Confident	86	Confident	13 Å²	13	57.3 Å²	57.3	5%	0.051	27%	0.267	C	S	.	.	H	α-helix	trans	-96.2	-39.3	178.5	-53.4	-63.1	0	0	0	111.3	I121 T125 V129 H224 T332 D333 E337 K338 I339	I121-Y335 HydrophobicContact CG2-CE2 4.09Å; I121-Y335 WeakPolarHBondContact CG2-OH 3.33Å; T125-Y335 HydrophobicContact CG2-CD2 3.32Å; T125-Y335 HydrophobicContact CG2-CE2 3.76Å; T125-Y335 HydrophobicContact CG2-CG 3.99Å; V129-Y335 HydrophobicContact CB-CD1 4.47Å; V129-Y335 HydrophobicContact CG1-CD1 4.25Å; V129-Y335 HydrophobicContact CG1-CE1 4.18Å; V129-Y335 HydrophobicContact CG2-CD1 3.93Å; V129-Y335 HydrophobicContact CG2-CG 4.04Å; H224-Y335 AromaticContact CE1-CE1 3.74Å; H224-Y335 AromaticContact ND1-CE1 3.29Å; H224-Y335 VanDerWaalsContact ND1-CE1 3.29Å; H224-Y335 WeakPolarHBondContact ND1-CE1 3.46Å; H224-Y335 AromaticContact ND1-CZ 3.49Å; H224-Y335 PolarHBondContact ND1-OH 2.8Å; T332-Y335 WeakPolarHBondContact O-CB 3.32Å; T332-Y335 WeakPolarHBondContact O-CD2 3.48Å; T332-Y335 PolarHBondContact O-N 2.79Å; D333-Y335 PolarHBondContact O-N 2.99Å; D333-Y335 VanDerWaalsContact O-N 3.08Å; Y335-E337 PolarHBondContact O-N 3.42Å; Y335-K338 PolarHBondContact O-N 3.4Å; Y335-I339 WeakPolarHBondContact O-CG1 3.44Å; Y335-I339 PolarHBondContact O-N 2.97Å
336	W	74.5	Confident	85.1	Confident	111 Å²	111	61.3 Å²	61.3	42%	0.42	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-25.4	179.3	-60.8	121.5	0	0	0	113	H128 T332 D333 K338 I339	H128-W336 HydrophobicContact CB-CH2 4.41Å; H128-W336 AromaticContact CE1-CH2 3.86Å; H128-W336 AromaticContact CG-CH2 3.86Å; H128-W336 AromaticContact ND1-CH2 3.56Å; T332-W336 PolarHBondContact O-N 2.85Å; D333-W336 PolarHBondContact O-N 3.35Å; W336-K338 PolarHBondContact O-N 3Å; W336-I339 HydrophobicContact CD2-CD1 4.48Å; W336-I339 HydrophobicContact CE3-CB 4.46Å; W336-I339 HydrophobicContact CE3-CD1 3.58Å; W336-I339 HydrophobicContact CZ3-CD1 3.59Å
337	E	67.3	Low	84	Confident	168 Å²	168	65.3 Å²	65.3	79%	0.785	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-14	170.6	-70.8	-177.4	173.6	0	0	113.8	D333 Y335	D333-E337 PolarHBondContact O-N 2.94Å; Y335-E337 PolarHBondContact O-N 3.42Å
338	K	60	Low	82.8	Confident	157 Å²	157	70.8 Å²	70.8	68%	0.683	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-8.5	-176.3	-63	-177.3	-178.9	178	0	114	Y335 W336	Y335-K338 PolarHBondContact O-N 3.4Å; W336-K338 PolarHBondContact O-N 3Å
339	I	57.2	Low	81.4	Confident	140 Å²	140	77.2 Å²	77.2	72%	0.718	36%	0.357	S	S	*	.			trans	-95	0	177.5	-64.9	167.3	0	0	0	108.7	H128 Y335 W336	H128-I339 HydrophobicContact CB-CD1 3.9Å; Y335-I339 WeakPolarHBondContact O-CG1 3.44Å; Y335-I339 PolarHBondContact O-N 2.97Å; W336-I339 HydrophobicContact CD2-CD1 4.48Å; W336-I339 HydrophobicContact CE3-CB 4.46Å; W336-I339 HydrophobicContact CE3-CD1 3.58Å; W336-I339 HydrophobicContact CZ3-CD1 3.59Å

Retrieved 339 of 339 residues in 1174.7 ms (Link to these results)

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