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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 , UniProt , Accession A0A096NCA1, Species PAPAN (Papio anubis, Olive baboon), Gene CTSB, 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	37	Very low	41.9	Very low	226 Å²	226	159 Å²	159	100%	1.113	83%	0.829	S	S	*	*				0	117.9	0	-96.3	-167	-75	0	0	108.2
2	W	37.4	Very low	42.1	Very low	231 Å²	231	158.5 Å²	158.5	88%	0.875	83%	0.826	S	S	*	*			trans	79.3	91.9	156.1	-63.4	57.1	0	0	0	118.4
3	Q	39.3	Very low	42.5	Very low	175 Å²	175	153.8 Å²	153.8	82%	0.818	83%	0.825	S	S	*	*			trans	-66.5	137.6	153.9	-71.6	167.5	-49.2	0	0	109.8
4	L	39.9	Very low	42.9	Very low	161 Å²	161	154.5 Å²	154.5	84%	0.843	83%	0.827	S	S	*	*			trans	-129.3	93.3	161.1	-89.5	159.5	0	0	0	107.6
5	W	43.3	Very low	43.3	Very low	226 Å²	226	148.5 Å²	148.5	86%	0.856	82%	0.817	S	S	*	*			trans	-88.8	104.3	165	-83.1	39.1	0	0	0	107.1	S7	W5-S7 PolarHBondContact O-N 3.43Å
6	A	43.7	Very low	43.5	Very low	95 Å²	95	146.8 Å²	146.8	79%	0.785	81%	0.806	S	S	*	*			trans	-84.7	95.8	169.1	0	0	0	0	0	108.2	L8	A6-L8 PolarHBondContact O-N 2.85Å; A6-L8 VanDerWaalsContact O-N 3.14Å
7	S	48.5	Very low	43.7	Very low	102 Å²	102	143.6 Å²	143.6	71%	0.713	80%	0.804	S	S	*	*			trans	-71.2	100.9	168	-63.8	0	0	0	0	108.8	W5 C9	W5-S7 PolarHBondContact O-N 3.43Å; S7-C9 PolarHBondContact O-N 3.43Å; S7-C9 VanDerWaalsContact O-N 3.09Å
8	L	43.5	Very low	44.3	Very low	155 Å²	155	146.8 Å²	146.8	81%	0.812	80%	0.801	S	S	*	*			trans	-75.2	89.9	168.7	-137.2	90.2	0	0	0	108	A6 C10	A6-L8 PolarHBondContact O-N 2.85Å; A6-L8 VanDerWaalsContact O-N 3.14Å; L8-C10 VanDerWaalsContact C-N 3.32Å; L8-C10 PolarHBondContact O-N 3.16Å
9	C	41.8	Very low	45.2	Very low	114 Å²	114	144.8 Å²	144.8	77%	0.77	80%	0.799	S	S	*	*			trans	-72.9	90.6	165.5	-87.2	0	0	0	0	108.5	S7 L11	S7-C9 PolarHBondContact O-N 3.43Å; S7-C9 VanDerWaalsContact O-N 3.09Å; C9-L11 VanDerWaalsContact C-N 3.31Å; C9-L11 PolarHBondContact O-N 2.9Å
10	C	40.5	Very low	46.1	Very low	98 Å²	98	146.6 Å²	146.6	66%	0.662	79%	0.793	S	S	*	*			trans	-66.6	93.7	161.2	-76.1	0	0	0	0	108.4	L8 L12	L8-C10 VanDerWaalsContact C-N 3.32Å; L8-C10 PolarHBondContact O-N 3.16Å; C10-L12 VanDerWaalsContact C-N 3.28Å; C10-L12 PolarHBondContact O-N 2.91Å
11	L	45.6	Very low	47.3	Very low	166 Å²	166	142.3 Å²	142.3	87%	0.869	77%	0.773	S	S	*	*			trans	-66.2	93	160.4	-85.6	155.8	0	0	0	107.5	C9 A13	C9-L11 VanDerWaalsContact C-N 3.31Å; C9-L11 PolarHBondContact O-N 2.9Å; L11-A13 VanDerWaalsContact C-N 3.28Å; L11-A13 PolarHBondContact O-N 3.26Å
12	L	44.5	Very low	49.2	Very low	153 Å²	153	137.2 Å²	137.2	80%	0.801	76%	0.76	S	S	*	*			trans	-68.5	93.2	162.1	-73	169.6	0	0	0	107.2	C10 L14	C10-L12 VanDerWaalsContact C-N 3.28Å; C10-L12 PolarHBondContact O-N 2.91Å; L12-L14 PolarHBondContact O-N 3.32Å
13	A	47.4	Very low	51.2	Low	98 Å²	98	128.3 Å²	128.3	81%	0.81	73%	0.727	S	S	*	*			trans	-66.5	91.3	158.8	0	0	0	0	0	107	L11 G15	L11-A13 VanDerWaalsContact C-N 3.28Å; L11-A13 PolarHBondContact O-N 3.26Å; A13-G15 PolarHBondContact O-N 3.26Å
14	L	47.5	Very low	53.4	Low	163 Å²	163	125.3 Å²	125.3	85%	0.853	71%	0.713	S	S	*	*			trans	-63.9	90.1	160.8	-79.5	159.7	0	0	0	106.2	L12 D16	L12-L14 PolarHBondContact O-N 3.32Å; L14-D16 PolarHBondContact O-N 3.34Å; L14-D16 VanDerWaalsContact O-N 3.1Å
15	G	49.9	Very low	55.5	Low	65 Å²	65	117.8 Å²	117.8	67%	0.67	67%	0.674	S	S	*	*			trans	-58.5	113.7	162	0	0	0	0	0	106.6	A13 A17	A13-G15 PolarHBondContact O-N 3.26Å; G15-A17 PolarHBondContact O-N 2.83Å
16	D	45.7	Very low	57.5	Low	120 Å²	120	108.3 Å²	108.3	64%	0.642	64%	0.64	S	S	*	*			trans	-68.9	74.7	172.8	-156.5	15.9	0	0	0	106.9	L14 R18	L14-D16 PolarHBondContact O-N 3.34Å; L14-D16 VanDerWaalsContact O-N 3.1Å; D16-R18 PolarHBondContact O-N 3.44Å; D16-R18 IonicContact OD2-CZ 3.05Å; D16-R18 IonicContact OD2-NE 3.42Å; D16-R18 PolarHBondContact OD2-NE 3.01Å; D16-R18 IonicContact OD2-NH2 3.65Å; D16-R18 PolarHBondContact OD2-NH2 3.13Å
17	A	47.6	Very low	59.8	Low	93 Å²	93	104.5 Å²	104.5	77%	0.769	61%	0.607	S	S	*	*			trans	-70.9	73.7	168.8	0	0	0	0	0	106.5	G15 S19	G15-A17 PolarHBondContact O-N 2.83Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 2.64Å
18	R	54.1	Low	62	Low	202 Å²	202	104.4 Å²	104.4	76%	0.762	60%	0.599	S	S	*	*			trans	-59.6	102.7	169.5	-70.7	-177.8	-174.3	-175.4	-1.2	106.4	D16 R20	D16-R18 PolarHBondContact O-N 3.44Å; D16-R18 IonicContact OD2-CZ 3.05Å; D16-R18 IonicContact OD2-NE 3.42Å; D16-R18 PolarHBondContact OD2-NE 3.01Å; D16-R18 IonicContact OD2-NH2 3.65Å; D16-R18 PolarHBondContact OD2-NH2 3.13Å; R18-R20 PolarHBondContact O-N 3.02Å; R18-R20 VanDerWaalsContact O-N 3.17Å
19	S	61.2	Low	64.5	Low	109 Å²	109	102.6 Å²	102.6	76%	0.762	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-54	121.9	168.3	41.6	0	0	0	0	107.3	A17	A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 2.64Å
20	R	63.7	Low	67	Low	179 Å²	179	97.1 Å²	97.1	68%	0.675	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-59	131.1	172.4	-73.5	-173.5	179.5	-170.7	-1.8	107.4	R18 S22	R18-R20 PolarHBondContact O-N 3.02Å; R18-R20 VanDerWaalsContact O-N 3.17Å; R20-S22 PolarHBondContact O-N 2.83Å
21	P	70.6	Confident	69.7	Low	58 Å²	58	93.1 Å²	93.1	38%	0.377	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-60.7	132.7	177.7	22.9	-30.5	0	0	0	109.7	F23 Y33	P21-F23 HydrophobicContact CB-CE1 4.36Å; P21-F23 HydrophobicContact CB-CE2 3.79Å; P21-F23 HydrophobicContact CB-CZ 3.66Å; P21-F23 HydrophobicContact CG-CE2 3.63Å; P21-F23 HydrophobicContact CG-CZ 3.73Å; P21-Y33 HydrophobicContact CG-CE2 4.22Å
22	S	77.3	Confident	72.2	Confident	119 Å²	119	89.4 Å²	89.4	83%	0.832	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-87.8	131	173.5	-177.5	0	0	0	0	109	R20	R20-S22 PolarHBondContact O-N 2.83Å
23	F	80.1	Confident	74.7	Confident	43 Å²	43	85.6 Å²	85.6	19%	0.189	48%	0.478	C	S	.	.			trans	-124.2	148.1	178.6	-59.1	-75.2	0	0	0	109.6	P21 E29 L30 Y33 T271	P21-F23 HydrophobicContact CB-CE1 4.36Å; P21-F23 HydrophobicContact CB-CE2 3.79Å; P21-F23 HydrophobicContact CB-CZ 3.66Å; P21-F23 HydrophobicContact CG-CE2 3.63Å; P21-F23 HydrophobicContact CG-CZ 3.73Å; F23-E29 HydrophobicContact CD1-CB 3.83Å; F23-E29 HydrophobicContact CE1-CB 3.92Å; F23-L30 HydrophobicContact CB-CB 3.88Å; F23-L30 HydrophobicContact CB-CD1 4.21Å; F23-L30 HydrophobicContact CB-CD2 4.5Å; F23-L30 HydrophobicContact CB-CG 4.41Å; F23-L30 HydrophobicContact CD2-CD1 3.8Å; F23-L30 HydrophobicContact CG-CB 4.21Å; F23-L30 HydrophobicContact CG-CD1 4.24Å; F23-Y33 HydrophobicContact CE2-CD1 4.08Å; F23-Y33 HydrophobicContact CE2-CD2 4.18Å; F23-Y33 AromaticContact CE2-CG 3.86Å; F23-Y33 HydrophobicContact CE2-CG 3.86Å; F23-Y33 AromaticContact CZ-CD2 3.89Å; F23-Y33 HydrophobicContact CZ-CD2 3.89Å; F23-Y33 AromaticContact CZ-CG 3.87Å; F23-Y33 HydrophobicContact CZ-CG 3.87Å; F23-T271 HydrophobicContact CD2-CG2 4.33Å; F23-T271 HydrophobicContact CE2-CG2 4.38Å
24	H	85.5	Confident	77	Confident	112 Å²	112	80.9 Å²	80.9	52%	0.519	44%	0.44	S	S	.	.			trans	-63.9	136.2	167.2	-179.2	-86.9	0	0	0	108.9	L26 S27	H24-L26 PolarHBondContact ND1-N 2.87Å; H24-L26 PolarHBondContact O-N 3.11Å; H24-S27 WeakPolarHBondContact O-CB 3.37Å; H24-S27 PolarHBondContact O-N 2.91Å
25	P	82.6	Confident	79.4	Confident	4 Å²	4	76.2 Å²	76.2	3%	0.026	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-26.8	-171	-32.1	37.2	0	0	0	116	L55 L260 M275	P25-L55 HydrophobicContact CB-CD1 4.19Å; P25-L260 HydrophobicContact CB-CD1 4.42Å; P25-M275 HydrophobicContact CG-SD 4.49Å
26	L	85.2	Confident	81.7	Confident	26 Å²	26	81.2 Å²	81.2	14%	0.136	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	25.9	-177.7	-54.6	-177.4	0	0	0	113	H24 H45 F47 V50 L55	H24-L26 PolarHBondContact ND1-N 2.87Å; H24-L26 PolarHBondContact O-N 3.11Å; L26-H45 PolarHBondContact O-CE1 2.94Å; L26-F47 HydrophobicContact CD1-CB 3.92Å; L26-F47 HydrophobicContact CD2-CB 3.8Å; L26-F47 HydrophobicContact CD2-CD2 4.4Å; L26-V50 HydrophobicContact CD1-CG2 3.62Å; L26-L55 HydrophobicContact CD1-CD1 3.99Å; L26-L55 HydrophobicContact CD2-CD1 4Å; L26-L55 HydrophobicContact CG-CD1 3.92Å
27	S	92.6	Very high	84	Confident	15 Å²	15	79.8 Å²	79.8	11%	0.105	41%	0.408	C	S	.	.			trans	-86.1	147.5	-175.6	103	0	0	0	0	112.6	H24 E29 L30 V31	H24-S27 WeakPolarHBondContact O-CB 3.37Å; H24-S27 PolarHBondContact O-N 2.91Å; S27-E29 WeakPolarHBondContact CB-OE2 3.4Å; S27-E29 PolarHBondContact O-N 2.75Å; S27-E29 PolarHBondContact OG-N 2.88Å; S27-E29 PolarHBondContact OG-OE2 2.59Å; S27-L30 PolarHBondContact O-N 2.95Å; S27-L30 PolarHBondContact OG-N 3.07Å; S27-V31 PolarHBondContact O-N 2.95Å
28	D	95.4	Very high	86.1	Confident	100 Å²	100	82.5 Å²	82.5	54%	0.535	41%	0.41	S	S	.	.	H	α-helix	trans	-60.4	-31.7	172.5	-76.1	-32.6	0	0	0	111.3	L30 V31 N32 H45	D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 2.82Å; D28-V31 PolarHBondContact O-N 3.33Å; D28-N32 VanDerWaalsContact O-CB 3.26Å; D28-N32 WeakPolarHBondContact O-CB 3.32Å; D28-N32 PolarHBondContact O-N 3.39Å; D28-N32 PolarHBondContact O-ND2 2.58Å; D28-H45 IonicContact OD1-CD2 3.17Å; D28-H45 IonicContact OD1-CE1 3.28Å; D28-H45 IonicContact OD1-NE2 3.98Å; D28-H45 PolarHBondContact OD1-NE2 3.39Å
29	E	95.7	Very high	88.1	Confident	117 Å²	117	74.8 Å²	74.8	55%	0.547	39%	0.385	S	S	.	.	H	α-helix	trans	-63	-38.6	176.6	-57.6	80.1	-174.8	0	0	112	F23 S27 Y33	F23-E29 HydrophobicContact CD1-CB 3.83Å; F23-E29 HydrophobicContact CE1-CB 3.92Å; S27-E29 WeakPolarHBondContact CB-OE2 3.4Å; S27-E29 PolarHBondContact O-N 2.75Å; S27-E29 PolarHBondContact OG-N 2.88Å; S27-E29 PolarHBondContact OG-OE2 2.59Å; E29-Y33 WeakPolarHBondContact O-CB 3.33Å; E29-Y33 PolarHBondContact O-N 2.75Å
30	L	95	Very high	89.9	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66.1	-47.7	176.8	-178.3	55.5	0	0	0	111.2	F23 S27 D28 N32 Y33 V34 L261 T271	F23-L30 HydrophobicContact CB-CB 3.88Å; F23-L30 HydrophobicContact CB-CD1 4.21Å; F23-L30 HydrophobicContact CB-CD2 4.5Å; F23-L30 HydrophobicContact CB-CG 4.41Å; F23-L30 HydrophobicContact CD2-CD1 3.8Å; F23-L30 HydrophobicContact CG-CB 4.21Å; F23-L30 HydrophobicContact CG-CD1 4.24Å; S27-L30 PolarHBondContact O-N 2.95Å; S27-L30 PolarHBondContact OG-N 3.07Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 2.82Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.16Å; L30-Y33 PolarHBondContact O-N 3.25Å; L30-V34 HydrophobicContact CD1-CG2 4.34Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 2.66Å; L30-L261 HydrophobicContact CB-CD1 4.1Å; L30-L261 HydrophobicContact CD2-CD1 3.66Å; L30-L261 HydrophobicContact CG-CD1 3.54Å; L30-T271 HydrophobicContact CD1-CG2 3.35Å
31	V	97.1	Very high	91.6	Very high	13 Å²	13	63.1 Å²	63.1	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-55.2	-51.2	174.8	172.9	0	0	0	0	110.4	S27 D28 Y33 V34 N35 A43 L261	S27-V31 PolarHBondContact O-N 2.95Å; D28-V31 PolarHBondContact O-N 3.33Å; V31-Y33 VanDerWaalsContact C-N 3.32Å; V31-Y33 PolarHBondContact O-N 3.11Å; V31-V34 PolarHBondContact O-N 3.14Å; V31-N35 WeakPolarHBondContact O-CB 3.24Å; V31-N35 PolarHBondContact O-N 3.38Å; V31-N35 PolarHBondContact O-ND2 2.96Å; V31-A43 HydrophobicContact CG1-CB 4.34Å; V31-L261 HydrophobicContact CG2-CD1 3.72Å; V31-L261 HydrophobicContact CG2-CD2 3.99Å; V31-L261 HydrophobicContact CG2-CG 4.32Å
32	N	97	Very high	92.9	Very high	88 Å²	88	64.9 Å²	64.9	47%	0.471	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-36.5	-179.1	-73.6	-42.7	0	0	0	112.3	D28 L30 K36	D28-N32 VanDerWaalsContact O-CB 3.26Å; D28-N32 WeakPolarHBondContact O-CB 3.32Å; D28-N32 PolarHBondContact O-N 3.39Å; D28-N32 PolarHBondContact O-ND2 2.58Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.16Å; N32-K36 WeakPolarHBondContact O-CB 3.15Å; N32-K36 WeakPolarHBondContact O-CG 3.41Å; N32-K36 PolarHBondContact O-N 2.85Å
33	Y	96.5	Very high	93.9	Very high	73 Å²	73	59.6 Å²	59.6	29%	0.286	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-47.8	178.2	178.5	-92.7	0	0	0	111.4	P21 F23 E29 L30 V31 K36 Q37 V270 T271	P21-Y33 HydrophobicContact CG-CE2 4.22Å; F23-Y33 HydrophobicContact CE2-CD1 4.08Å; F23-Y33 HydrophobicContact CE2-CD2 4.18Å; F23-Y33 AromaticContact CE2-CG 3.86Å; F23-Y33 HydrophobicContact CE2-CG 3.86Å; F23-Y33 AromaticContact CZ-CD2 3.89Å; F23-Y33 HydrophobicContact CZ-CD2 3.89Å; F23-Y33 AromaticContact CZ-CG 3.87Å; F23-Y33 HydrophobicContact CZ-CG 3.87Å; E29-Y33 WeakPolarHBondContact O-CB 3.33Å; E29-Y33 PolarHBondContact O-N 2.75Å; L30-Y33 PolarHBondContact O-N 3.25Å; V31-Y33 VanDerWaalsContact C-N 3.32Å; V31-Y33 PolarHBondContact O-N 3.11Å; Y33-K36 PolarHBondContact O-N 2.99Å; Y33-Q37 HydrophobicContact CE1-CG 4.18Å; Y33-Q37 WeakPolarHBondContact O-CG 3.08Å; Y33-Q37 PolarHBondContact O-N 3.05Å; Y33-Q37 PolarHBondContact O-NE2 3.49Å; Y33-V270 HydrophobicContact CD1-CG1 4.5Å; Y33-V270 HydrophobicContact CE1-CG1 3.95Å; Y33-T271 HydrophobicContact CD1-CG2 3.66Å; Y33-T271 HydrophobicContact CE1-CG2 3.77Å
34	V	96.6	Very high	94.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-50.7	177.4	172.2	0	0	0	0	110.4	L30 V31 K36 Q37 W41 A43 D258 T271	L30-V34 HydrophobicContact CD1-CG2 4.34Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 2.66Å; V31-V34 PolarHBondContact O-N 3.14Å; V34-K36 PolarHBondContact O-N 2.98Å; V34-Q37 WeakPolarHBondContact O-CB 3.38Å; V34-Q37 PolarHBondContact O-N 2.96Å; V34-W41 HydrophobicContact CG1-CD2 4.34Å; V34-W41 HydrophobicContact CG1-CE3 4.48Å; V34-W41 HydrophobicContact CG1-CH2 3.62Å; V34-W41 HydrophobicContact CG1-CZ2 3.44Å; V34-W41 VanDerWaalsContact CG1-CZ2 3.44Å; V34-W41 HydrophobicContact CG1-CZ3 4.15Å; V34-W41 HydrophobicContact CG2-CH2 4.31Å; V34-W41 HydrophobicContact CG2-CZ2 4.33Å; V34-A43 HydrophobicContact CB-CB 3.96Å; V34-A43 HydrophobicContact CG1-CB 3.81Å; V34-D258 HydrophobicContact CG2-CB 4.19Å; V34-T271 HydrophobicContact CG2-CG2 4.49Å
35	N	97.8	Very high	95.2	Very high	65 Å²	65	54.3 Å²	54.3	35%	0.348	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-28	-178.6	-72	-25.5	0	0	0	112.7	V31 Q37 A43	V31-N35 WeakPolarHBondContact O-CB 3.24Å; V31-N35 PolarHBondContact O-N 3.38Å; V31-N35 PolarHBondContact O-ND2 2.96Å; N35-Q37 VanDerWaalsContact C-N 3.35Å; N35-A43 PolarHBondContact ND2-O 3.46Å; N35-A43 PolarHBondContact OD1-N 3.32Å
36	K	97.4	Very high	95.7	Very high	170 Å²	170	54.1 Å²	54.1	74%	0.739	27%	0.274	S	S	*	.	H	α-helix	trans	-73.4	-20.7	173.1	-79.1	174.9	-178.2	177.5	0	114.2	N32 Y33 V34 N38	N32-K36 WeakPolarHBondContact O-CB 3.15Å; N32-K36 WeakPolarHBondContact O-CG 3.41Å; N32-K36 PolarHBondContact O-N 2.85Å; Y33-K36 PolarHBondContact O-N 2.99Å; V34-K36 PolarHBondContact O-N 2.98Å; K36-N38 PolarHBondContact O-N 3.19Å
37	Q	95.1	Very high	96	Very high	90 Å²	90	53 Å²	53	42%	0.421	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.3	177.2	-62.2	-41	-67.5	0	0	112.9	Y33 V34 N35 T39 V270	Y33-Q37 HydrophobicContact CE1-CG 4.18Å; Y33-Q37 WeakPolarHBondContact O-CG 3.08Å; Y33-Q37 PolarHBondContact O-N 3.05Å; Y33-Q37 PolarHBondContact O-NE2 3.49Å; V34-Q37 WeakPolarHBondContact O-CB 3.38Å; V34-Q37 PolarHBondContact O-N 2.96Å; N35-Q37 VanDerWaalsContact C-N 3.35Å; Q37-T39 VanDerWaalsContact C-N 3.27Å; Q37-T39 HydrophobicContact CB-CG2 3.74Å; Q37-T39 PolarHBondContact O-N 2.64Å; Q37-V270 HydrophobicContact CB-CG1 4.39Å; Q37-V270 HydrophobicContact CG-CG1 3.65Å
38	N	92.1	Very high	95.8	Very high	150 Å²	150	56.6 Å²	56.6	80%	0.802	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	46.2	-179.4	-160.9	43.9	0	0	0	112.1	K36	K36-N38 PolarHBondContact O-N 3.19Å
39	T	96.8	Very high	95.1	Very high	40 Å²	40	59.7 Å²	59.7	25%	0.245	30%	0.297	C	S	.	.			trans	-76.7	-176	176.3	64.3	0	0	0	0	111.2	Q37 W41 V270	Q37-T39 VanDerWaalsContact C-N 3.27Å; Q37-T39 HydrophobicContact CB-CG2 3.74Å; Q37-T39 PolarHBondContact O-N 2.64Å; T39-W41 PolarHBondContact O-N 2.88Å; T39-W41 VanDerWaalsContact OG1-CD1 3.24Å; T39-W41 PolarHBondContact OG1-NE1 3.2Å; T39-W41 PolarHBondContact OG1-O 3.41Å; T39-V270 HydrophobicContact CG2-CG2 3.51Å
40	T	98.3	Very high	94.6	Very high	40 Å²	40	55 Å²	55	25%	0.245	28%	0.276	C	S	.	.	S	Bend	trans	-76.5	6.4	-179	50.4	0	0	0	0	114.3	G265 V266 Q268 T291	T40-G265 CarbonylContact O-C 3.53Å; T40-G265 WeakPolarHBondContact O-CA 3.2Å; T40-V266 CarbonylContact C-O 3.25Å; T40-V266 WeakPolarHBondContact CB-O 3.38Å; T40-V266 PolarHBondContact O-N 3.02Å; T40-V266 PolarHBondContact OG1-O 3.07Å; T40-Q268 PolarHBondContact OG1-NE2 3.2Å; T40-T291 HydrophobicContact CG2-CG2 4Å; T40-T291 VanDerWaalsContact CG2-OG1 3.3Å; T40-T291 WeakPolarHBondContact CG2-OG1 3.43Å
41	W	98.7	Very high	94.1	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.011	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.2	-176.9	65.9	-78.4	0	0	0	112	V34 T39 A43 D258 Y262 S264 V266 Y267 Q268	V34-W41 HydrophobicContact CG1-CD2 4.34Å; V34-W41 HydrophobicContact CG1-CE3 4.48Å; V34-W41 HydrophobicContact CG1-CH2 3.62Å; V34-W41 HydrophobicContact CG1-CZ2 3.44Å; V34-W41 VanDerWaalsContact CG1-CZ2 3.44Å; V34-W41 HydrophobicContact CG1-CZ3 4.15Å; V34-W41 HydrophobicContact CG2-CH2 4.31Å; V34-W41 HydrophobicContact CG2-CZ2 4.33Å; T39-W41 PolarHBondContact O-N 2.88Å; T39-W41 VanDerWaalsContact OG1-CD1 3.24Å; T39-W41 PolarHBondContact OG1-NE1 3.2Å; T39-W41 PolarHBondContact OG1-O 3.41Å; W41-A43 HydrophobicContact CE3-CB 4.37Å; W41-A43 HydrophobicContact CH2-CB 4.12Å; W41-A43 HydrophobicContact CZ3-CB 3.67Å; W41-D258 HydrophobicContact CH2-CB 4.18Å; W41-D258 VanDerWaalsContact CH2-O 3.26Å; W41-D258 WeakPolarHBondContact CH2-O 3.3Å; W41-D258 HydrophobicContact CZ2-CB 4.35Å; W41-Y262 HydrophobicContact CB-CE2 4.42Å; W41-Y262 HydrophobicContact CE3-CD2 4.08Å; W41-S264 VanDerWaalsContact CA-O 3.29Å; W41-S264 WeakPolarHBondContact CA-O 2.96Å; W41-S264 VanDerWaalsContact CB-O 3.24Å; W41-S264 WeakPolarHBondContact CB-O 3.31Å; W41-V266 WeakPolarHBondContact CB-O 3.47Å; W41-Y267 HydrophobicContact CD2-CD2 4Å; W41-Y267 AromaticContact CE2-CD2 3.67Å; W41-Y267 HydrophobicContact CE3-CD2 4.35Å; W41-Y267 HydrophobicContact CH2-CD2 4.1Å; W41-Y267 HydrophobicContact CH2-CE2 4.05Å; W41-Y267 AromaticContact CZ2-CD2 3.72Å; W41-Y267 HydrophobicContact CZ2-CD2 3.72Å; W41-Y267 AromaticContact CZ2-CE2 3.66Å; W41-Y267 HydrophobicContact CZ2-CE2 3.66Å; W41-Y267 HydrophobicContact CZ3-CD2 4.4Å; W41-Q268 PolarHBondContact NE1-O 2.89Å
42	Q	98.4	Very high	93.6	Very high	94 Å²	94	60.8 Å²	60.8	44%	0.439	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.3	178	-67.3	75.2	42.8	0	0	110.4	K263 S264	Q42-K263 WeakPolarHBondContact O-CB 3.31Å; Q42-K263 PolarHBondContact O-N 3.05Å; Q42-K263 VanDerWaalsContact O-N 3.07Å; Q42-S264 PolarHBondContact N-O 3.29Å; Q42-S264 PolarHBondContact OE1-OG 3.05Å
43	A	98.2	Very high	93.1	Very high	9 Å²	9	59.2 Å²	59.2	7%	0.074	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	146.9	176.4	0	0	0	0	0	111.7	V31 V34 N35 W41 L261	V31-A43 HydrophobicContact CG1-CB 4.34Å; V34-A43 HydrophobicContact CB-CB 3.96Å; V34-A43 HydrophobicContact CG1-CB 3.81Å; N35-A43 PolarHBondContact ND2-O 3.46Å; N35-A43 PolarHBondContact OD1-N 3.32Å; W41-A43 HydrophobicContact CE3-CB 4.37Å; W41-A43 HydrophobicContact CH2-CB 4.12Å; W41-A43 HydrophobicContact CZ3-CB 3.67Å; A43-L261 CarbonylContact C-O 3.59Å; A43-L261 VanDerWaalsContact CA-O 3.24Å; A43-L261 WeakPolarHBondContact CA-O 3.41Å; A43-L261 HydrophobicContact CB-CB 4.07Å
44	G	97.2	Very high	92.8	Very high	14 Å²	14	55.8 Å²	55.8	14%	0.144	29%	0.29	C	S	.	.			trans	-165.7	163.1	170.4	0	0	0	0	0	110.7	N46 L261 K263	G44-N46 PolarHBondContact O-N 2.99Å; G44-L261 PolarHBondContact N-O 3.04Å; G44-L261 CarbonylContact O-C 3.52Å; G44-L261 VanDerWaalsContact O-CA 3.25Å; G44-L261 WeakPolarHBondContact O-CA 3.45Å; G44-K263 WeakPolarHBondContact O-CE 3.38Å
45	H	95.4	Very high	92.7	Very high	29 Å²	29	55.8 Å²	55.8	13%	0.134	29%	0.29	C	S	.	.			trans	-66.8	124.7	-177	-70.3	-60.5	0	0	0	112.1	L26 D28 Y48 K263	L26-H45 PolarHBondContact O-CE1 2.94Å; D28-H45 IonicContact OD1-CD2 3.17Å; D28-H45 IonicContact OD1-CE1 3.28Å; D28-H45 IonicContact OD1-NE2 3.98Å; D28-H45 PolarHBondContact OD1-NE2 3.39Å; H45-Y48 HydrophobicContact CB-CD1 4.49Å; H45-Y48 HydrophobicContact CB-CE1 3.68Å; H45-Y48 HydrophobicContact CB-CE2 3.99Å; H45-Y48 VanDerWaalsContact CB-CZ 3.4Å; H45-Y48 WeakPolarHBondContact CB-OH 3.47Å; H45-K263 WeakPolarHBondContact O-CE 3.44Å; H45-K263 PolarHBondContact O-NZ 2.77Å
46	N	93.8	Very high	92.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.			trans	-104.6	-23.5	166.4	-66.4	-61	0	0	0	112.9	G44 H189 H190 L260 Y262 K263 W304 G305	G44-N46 PolarHBondContact O-N 2.99Å; N46-H189 VanDerWaalsContact O-O 3.05Å; N46-H190 VanDerWaalsContact C-CE1 3.46Å; N46-H190 WeakPolarHBondContact CA-CE1 3.47Å; N46-H190 WeakPolarHBondContact CB-CE1 3.41Å; N46-H190 PolarHBondContact O-CD2 3.07Å; N46-H190 VanDerWaalsContact O-CD2 3.25Å; N46-H190 PolarHBondContact O-CE1 3.44Å; N46-H190 PolarHBondContact O-ND1 3.25Å; N46-H190 PolarHBondContact O-NE2 2.89Å; N46-H190 PolarHBondContact OD1-CE1 3.48Å; N46-L260 WeakPolarHBondContact CB-O 3.26Å; N46-L260 PolarHBondContact ND2-O 2.82Å; N46-Y262 PolarHBondContact ND2-O 3.23Å; N46-K263 VanDerWaalsContact OD1-CE 3.26Å; N46-K263 WeakPolarHBondContact OD1-CE 3.16Å; N46-K263 PolarHBondContact OD1-NZ 2.98Å; N46-W304 VanDerWaalsContact CB-CD1 3.46Å; N46-W304 HydrophobicContact CB-CG 4.39Å; N46-W304 PolarHBondContact ND2-NE1 2.78Å; N46-G305 PolarHBondContact OD1-N 3.04Å
47	F	91.9	Very high	92.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	27%	0.265	C	S	.	.			trans	-119.8	127	-175.8	-60	-88.7	0	0	0	109.2	L26 V50 Y54 L55 L58 H189 L260 W300 W304	L26-F47 HydrophobicContact CD1-CB 3.92Å; L26-F47 HydrophobicContact CD2-CB 3.8Å; L26-F47 HydrophobicContact CD2-CD2 4.4Å; F47-V50 HydrophobicContact CB-CG2 3.68Å; F47-V50 HydrophobicContact CD1-CG2 4.34Å; F47-V50 HydrophobicContact CG-CG2 4.36Å; F47-Y54 HydrophobicContact CD1-CE1 4.04Å; F47-Y54 HydrophobicContact CE1-CE1 4.03Å; F47-L55 HydrophobicContact CB-CD2 4.16Å; F47-L55 HydrophobicContact CD1-CD2 3.87Å; F47-L55 HydrophobicContact CD2-CD2 4.04Å; F47-L55 HydrophobicContact CE1-CD2 4.32Å; F47-L55 HydrophobicContact CE2-CD2 4.43Å; F47-L55 HydrophobicContact CG-CD2 3.75Å; F47-L58 HydrophobicContact CE1-CD1 3.65Å; F47-L58 HydrophobicContact CZ-CD1 3.79Å; F47-H189 CarbonylContact C-O 3.37Å; F47-H189 VanDerWaalsContact CA-O 3.27Å; F47-H189 WeakPolarHBondContact CA-O 3.35Å; F47-H189 HydrophobicContact CD1-CB 3.57Å; F47-H189 AromaticContact CD1-CG 3.76Å; F47-H189 AromaticContact CD1-ND1 3.76Å; F47-H189 HydrophobicContact CE1-CB 4.12Å; F47-H189 AromaticContact CE1-CG 3.8Å; F47-H189 AromaticContact CE1-ND1 3.61Å; F47-H189 HydrophobicContact CG-CB 4.49Å; F47-L260 HydrophobicContact CD2-CB 4.16Å; F47-L260 HydrophobicContact CE2-CB 4.06Å; F47-L260 HydrophobicContact CE2-CD2 4.14Å; F47-W300 HydrophobicContact CE2-CE3 4.38Å; F47-W300 HydrophobicContact CE2-CZ3 4.49Å; F47-W300 HydrophobicContact CZ-CD2 4.42Å; F47-W300 AromaticContact CZ-CE3 3.83Å; F47-W300 HydrophobicContact CZ-CE3 3.83Å; F47-W300 HydrophobicContact CZ-CZ3 4.3Å; F47-W304 AromaticContact CE2-CD1 3.59Å; F47-W304 AromaticContact CE2-NE1 3.7Å; F47-W304 AromaticContact CZ-CD1 3.66Å
48	Y	87.4	Confident	92.4	Very high	91 Å²	91	46.6 Å²	46.6	36%	0.357	25%	0.245	S	C	.	.			trans	-125.5	134	178.3	-60.3	-92.5	0	0	0	109.1	H45 V50 H189 V191	H45-Y48 HydrophobicContact CB-CD1 4.49Å; H45-Y48 HydrophobicContact CB-CE1 3.68Å; H45-Y48 HydrophobicContact CB-CE2 3.99Å; H45-Y48 VanDerWaalsContact CB-CZ 3.4Å; H45-Y48 WeakPolarHBondContact CB-OH 3.47Å; Y48-V50 PolarHBondContact O-N 2.8Å; Y48-V50 VanDerWaalsContact O-N 3.17Å; Y48-H189 PolarHBondContact N-O 2.82Å; Y48-V191 HydrophobicContact CD2-CG1 3.99Å; Y48-V191 HydrophobicContact CE2-CG1 3.98Å; Y48-V191 HydrophobicContact CG-CG1 4.28Å
49	N	81.3	Confident	92.6	Very high	165 Å²	165	40.1 Å²	40.1	88%	0.882	21%	0.211	S	C	*	.	S	Bend	trans	56.3	28.7	176.5	-53.4	-36.9	0	0	0	115
50	V	84.4	Confident	92.7	Very high	19 Å²	19	38.4 Å²	38.4	12%	0.115	20%	0.202	C	C	.	.			trans	-100.6	150.9	175.7	-53.7	0	0	0	0	111.5	L26 F47 Y48 Y54 L55 H189 C198	L26-V50 HydrophobicContact CD1-CG2 3.62Å; F47-V50 HydrophobicContact CB-CG2 3.68Å; F47-V50 HydrophobicContact CD1-CG2 4.34Å; F47-V50 HydrophobicContact CG-CG2 4.36Å; Y48-V50 PolarHBondContact O-N 2.8Å; Y48-V50 VanDerWaalsContact O-N 3.17Å; V50-Y54 HydrophobicContact CB-CD1 3.8Å; V50-Y54 HydrophobicContact CB-CE1 4.4Å; V50-Y54 HydrophobicContact CG1-CD1 4.09Å; V50-Y54 HydrophobicContact CG1-CE1 4.22Å; V50-Y54 HydrophobicContact CG2-CD1 4.08Å; V50-L55 HydrophobicContact CG2-CD1 4.45Å; V50-L55 HydrophobicContact CG2-CD2 3.73Å; V50-L55 HydrophobicContact CG2-CG 4.02Å; V50-H189 HydrophobicContact CG1-CB 3.79Å; V50-C198 HydrophobicContact CG1-CB 3.92Å
51	D	84	Confident	92.7	Very high	93 Å²	93	36.8 Å²	36.8	50%	0.497	19%	0.192	S	C	.	.			trans	-78.1	149.1	175.8	-169.9	-95.3	0	0	0	111.9	S53 Y54 L55	D51-S53 PolarHBondContact O-N 3.35Å; D51-S53 WeakPolarHBondContact OD1-CA 3.3Å; D51-S53 WeakPolarHBondContact OD1-CB 3.25Å; D51-S53 PolarHBondContact OD1-N 3.19Å; D51-S53 PolarHBondContact OD1-OG 3.4Å; D51-Y54 WeakPolarHBondContact O-CB 3.45Å; D51-Y54 PolarHBondContact O-N 3.4Å; D51-L55 PolarHBondContact O-N 3.42Å
52	V	86.9	Confident	92.7	Very high	42 Å²	42	40.3 Å²	40.3	26%	0.255	21%	0.207	S	C	.	.	H	α-helix	trans	-62.6	-30.6	177.3	177.1	0	0	0	0	111.7	Y54 L55 K56 M275	V52-Y54 VanDerWaalsContact C-N 3.3Å; V52-Y54 PolarHBondContact O-N 3.31Å; V52-L55 PolarHBondContact O-N 3.14Å; V52-K56 PolarHBondContact O-N 2.87Å; V52-M275 HydrophobicContact CG1-CE 4.4Å
53	S	87.9	Confident	92.5	Very high	54 Å²	54	39 Å²	39	38%	0.378	20%	0.203	S	C	.	.	H	α-helix	trans	-62	-36.6	173.1	66.3	0	0	0	0	112.3	D51 K56 R57	D51-S53 PolarHBondContact O-N 3.35Å; D51-S53 WeakPolarHBondContact OD1-CA 3.3Å; D51-S53 WeakPolarHBondContact OD1-CB 3.25Å; D51-S53 PolarHBondContact OD1-N 3.19Å; D51-S53 PolarHBondContact OD1-OG 3.4Å; S53-K56 PolarHBondContact O-N 2.9Å; S53-R57 VanDerWaalsContact O-CB 3.29Å; S53-R57 WeakPolarHBondContact O-CB 3.41Å; S53-R57 PolarHBondContact O-N 3.41Å
54	Y	90.3	Very high	92.2	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-47.6	173.1	169.3	-103.3	0	0	0	110.8	F47 V50 D51 V52 K56 R57 L58 S104 C187 H189 C198 T199	F47-Y54 HydrophobicContact CD1-CE1 4.04Å; F47-Y54 HydrophobicContact CE1-CE1 4.03Å; V50-Y54 HydrophobicContact CB-CD1 3.8Å; V50-Y54 HydrophobicContact CB-CE1 4.4Å; V50-Y54 HydrophobicContact CG1-CD1 4.09Å; V50-Y54 HydrophobicContact CG1-CE1 4.22Å; V50-Y54 HydrophobicContact CG2-CD1 4.08Å; D51-Y54 WeakPolarHBondContact O-CB 3.45Å; D51-Y54 PolarHBondContact O-N 3.4Å; V52-Y54 VanDerWaalsContact C-N 3.3Å; V52-Y54 PolarHBondContact O-N 3.31Å; Y54-K56 VanDerWaalsContact C-N 3.3Å; Y54-K56 PolarHBondContact O-N 3.26Å; Y54-R57 WeakPolarHBondContact O-CA 3.24Å; Y54-R57 WeakPolarHBondContact O-CB 3.36Å; Y54-R57 PolarHBondContact O-N 2.9Å; Y54-L58 HydrophobicContact CD1-CD1 4.4Å; Y54-L58 HydrophobicContact CE1-CD1 3.76Å; Y54-L58 HydrophobicContact CE1-CD2 4.44Å; Y54-L58 HydrophobicContact CE1-CG 4.16Å; Y54-L58 HydrophobicContact CE2-CD2 3.91Å; Y54-L58 HydrophobicContact CE2-CG 4.25Å; Y54-L58 PolarHBondContact O-N 3.32Å; Y54-S104 WeakPolarHBondContact CD2-OG 3.24Å; Y54-S104 WeakPolarHBondContact CE2-OG 3.45Å; Y54-C187 WeakPolarHBondContact CE2-SG 3.5Å; Y54-C187 PolarHBondContact OH-SG 2.76Å; Y54-H189 PolarHBondContact OH-CD2 2.84Å; Y54-C198 HydrophobicContact CD1-CB 3.81Å; Y54-C198 HydrophobicContact CD2-CB 3.76Å; Y54-C198 HydrophobicContact CE1-CB 3.7Å; Y54-C198 HydrophobicContact CE2-CB 3.66Å; Y54-C198 HydrophobicContact CG-CB 3.82Å; Y54-C198 PolarHBondContact OH-SG 3.49Å; Y54-T199 WeakPolarHBondContact CD2-O 3.2Å
55	L	93	Very high	91.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-40.3	177.6	-59.6	174.4	0	0	0	112.6	P25 L26 F47 V50 D51 V52 L260 M275	P25-L55 HydrophobicContact CB-CD1 4.19Å; L26-L55 HydrophobicContact CD1-CD1 3.99Å; L26-L55 HydrophobicContact CD2-CD1 4Å; L26-L55 HydrophobicContact CG-CD1 3.92Å; F47-L55 HydrophobicContact CB-CD2 4.16Å; F47-L55 HydrophobicContact CD1-CD2 3.87Å; F47-L55 HydrophobicContact CD2-CD2 4.04Å; F47-L55 HydrophobicContact CE1-CD2 4.32Å; F47-L55 HydrophobicContact CE2-CD2 4.43Å; F47-L55 HydrophobicContact CG-CD2 3.75Å; V50-L55 HydrophobicContact CG2-CD1 4.45Å; V50-L55 HydrophobicContact CG2-CD2 3.73Å; V50-L55 HydrophobicContact CG2-CG 4.02Å; D51-L55 PolarHBondContact O-N 3.42Å; V52-L55 PolarHBondContact O-N 3.14Å; L55-L260 HydrophobicContact CB-CD1 4.23Å; L55-L260 HydrophobicContact CD1-CD1 3.94Å; L55-L260 HydrophobicContact CD2-CD1 4.15Å; L55-L260 HydrophobicContact CG-CD1 4.34Å; L55-M275 HydrophobicContact CB-CE 3.77Å
56	K	93.7	Very high	91.5	Very high	98 Å²	98	44.1 Å²	44.1	43%	0.426	25%	0.25	S	S	.	.	H	α-helix	trans	-68.4	-38.5	174.4	-72.2	-173.6	176	-176.1	0	111.9	V52 S53 Y54 L58 C59 M275	V52-K56 PolarHBondContact O-N 2.87Å; S53-K56 PolarHBondContact O-N 2.9Å; Y54-K56 VanDerWaalsContact C-N 3.3Å; Y54-K56 PolarHBondContact O-N 3.26Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 2.81Å; K56-C59 WeakPolarHBondContact O-CB 3.48Å; K56-C59 PolarHBondContact O-N 3.3Å; K56-M275 HydrophobicContact CG-CE 3.76Å
57	R	94.6	Very high	91.4	Very high	34 Å²	34	51.1 Å²	51.1	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-29.4	178	-171.6	156.9	-170.7	82.9	-11.3	112.8	S53 Y54 C59 S104 G106 C150 N151 G200 G202	S53-R57 VanDerWaalsContact O-CB 3.29Å; S53-R57 WeakPolarHBondContact O-CB 3.41Å; S53-R57 PolarHBondContact O-N 3.41Å; Y54-R57 WeakPolarHBondContact O-CA 3.24Å; Y54-R57 WeakPolarHBondContact O-CB 3.36Å; Y54-R57 PolarHBondContact O-N 2.9Å; R57-C59 PolarHBondContact O-N 3Å; R57-S104 WeakPolarHBondContact CD-O 3.3Å; R57-S104 PolarHBondContact NE-O 2.71Å; R57-G106 WeakPolarHBondContact O-CA 3.31Å; R57-G106 PolarHBondContact O-N 3.01Å; R57-C150 PolarHBondContact NH1-O 2.95Å; R57-C150 PolarHBondContact NH2-O 2.82Å; R57-N151 PolarHBondContact NH1-OD1 3.5Å; R57-N151 PolarHBondContact NH2-OD1 2.61Å; R57-G200 WeakPolarHBondContact CD-O 3.02Å; R57-G202 PolarHBondContact NH2-O 3.03Å
58	L	95.6	Very high	91.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-32.4	170.8	-69.3	-177.9	0	0	0	112.2	F47 Y54 K56 G60 Q102 H278 W300	F47-L58 HydrophobicContact CE1-CD1 3.65Å; F47-L58 HydrophobicContact CZ-CD1 3.79Å; Y54-L58 HydrophobicContact CD1-CD1 4.4Å; Y54-L58 HydrophobicContact CE1-CD1 3.76Å; Y54-L58 HydrophobicContact CE1-CD2 4.44Å; Y54-L58 HydrophobicContact CE1-CG 4.16Å; Y54-L58 HydrophobicContact CE2-CD2 3.91Å; Y54-L58 HydrophobicContact CE2-CG 4.25Å; Y54-L58 PolarHBondContact O-N 3.32Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 2.81Å; L58-G60 VanDerWaalsContact C-N 3.3Å; L58-G60 PolarHBondContact O-N 2.87Å; L58-G60 VanDerWaalsContact O-N 3.08Å; L58-Q102 HydrophobicContact CD2-CG 4.09Å; L58-Q102 PolarHBondContact O-NE2 2.88Å; L58-H278 PolarHBondContact O-ND1 3.23Å; L58-W300 HydrophobicContact CB-CZ2 3.93Å; L58-W300 HydrophobicContact CD1-CD2 4.1Å; L58-W300 HydrophobicContact CD1-CG 4.32Å; L58-W300 HydrophobicContact CD1-CZ2 4.49Å
59	C	97.5	Very high	91.7	Very high	13 Å²	13	52.4 Å²	52.4	9%	0.088	30%	0.3	C	S	.	.			trans	-85.7	64.4	178.3	-53.4	0	0	0	0	111.6	K56 R57 T61 G277	K56-C59 WeakPolarHBondContact O-CB 3.48Å; K56-C59 PolarHBondContact O-N 3.3Å; R57-C59 PolarHBondContact O-N 3Å; C59-T61 PolarHBondContact O-N 2.94Å; C59-G277 CarbonylContact C-O 3.53Å; C59-G277 VanDerWaalsContact CA-O 3.31Å; C59-G277 WeakPolarHBondContact CA-O 3.49Å; C59-G277 VanDerWaalsContact O-O 3.08Å
60	G	97.8	Very high	92.2	Very high	4 Å²	4	50.6 Å²	50.6	4%	0.041	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-86.9	24.8	-173.2	0	0	0	0	0	116.4	L58 C108 G152 G153 G277	L58-G60 VanDerWaalsContact C-N 3.3Å; L58-G60 PolarHBondContact O-N 2.87Å; L58-G60 VanDerWaalsContact O-N 3.08Å; G60-C108 VanDerWaalsContact C-SG 3.59Å; G60-C108 PolarHBondContact N-SG 2.99Å; G60-G152 CarbonylContact O-C 3.54Å; G60-G152 WeakPolarHBondContact O-CA 3.29Å; G60-G153 PolarHBondContact O-N 3.31Å; G60-G277 PolarHBondContact N-O 3.49Å
61	T	98.5	Very high	92.5	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.037	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-113.5	131	-178.8	-65.9	0	0	0	0	112.1	C59 L63 C108 P155 A252 G277 A279	C59-T61 PolarHBondContact O-N 2.94Å; T61-L63 HydrophobicContact CG2-CD2 4.2Å; T61-L63 PolarHBondContact O-N 3.13Å; T61-C108 PolarHBondContact OG1-SG 2.68Å; T61-P155 HydrophobicContact CG2-CG 3.84Å; T61-A252 HydrophobicContact CG2-CB 3.98Å; T61-G277 PolarHBondContact N-O 3.45Å; T61-G277 WeakPolarHBondContact O-CA 3.32Å; T61-A279 HydrophobicContact CG2-CB 4.27Å; T61-A279 WeakPolarHBondContact OG1-CB 3.45Å; T61-A279 PolarHBondContact OG1-N 3.35Å; T61-A279 VanDerWaalsContact OG1-N 3.12Å
62	F	98.1	Very high	92.4	Very high	78 Å²	78	53.6 Å²	53.6	34%	0.342	30%	0.3	S	S	.	.			trans	-86.1	104.5	170.5	-56.5	-41.6	0	0	0	109.9	N151 G152 G153 Y154	F62-N151 WeakPolarHBondContact CZ-O 3.18Å; F62-G152 VanDerWaalsContact CE2-O 3.3Å; F62-G152 WeakPolarHBondContact CE2-O 3.25Å; F62-G153 PolarHBondContact N-O 2.86Å; F62-Y154 HydrophobicContact CB-CD1 3.72Å; F62-Y154 HydrophobicContact CB-CE1 3.36Å; F62-Y154 HydrophobicContact CD2-CD1 4.29Å; F62-Y154 HydrophobicContact CD2-CD2 4.39Å; F62-Y154 AromaticContact CD2-CE1 3.85Å; F62-Y154 HydrophobicContact CD2-CE1 3.85Å; F62-Y154 AromaticContact CD2-CE2 3.91Å; F62-Y154 HydrophobicContact CD2-CE2 3.91Å; F62-Y154 AromaticContact CD2-CZ 3.62Å; F62-Y154 HydrophobicContact CG-CE1 4.06Å
63	L	95.6	Very high	92.1	Very high	66 Å²	66	52.9 Å²	52.9	35%	0.346	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	153.1	175.1	-57.8	179	0	0	0	111.2	T61 G65 A252 S254 E324	T61-L63 HydrophobicContact CG2-CD2 4.2Å; T61-L63 PolarHBondContact O-N 3.13Å; L63-G65 VanDerWaalsContact C-N 3.28Å; L63-G65 PolarHBondContact O-N 2.92Å; L63-A252 HydrophobicContact CD2-CB 3.67Å; L63-S254 WeakPolarHBondContact CD1-OG 3.23Å; L63-E324 VanDerWaalsContact CA-OE1 3.27Å; L63-E324 WeakPolarHBondContact CA-OE1 3.17Å; L63-E324 WeakPolarHBondContact CB-OE1 3.34Å
64	G	91.8	Very high	91.6	Very high	61 Å²	61	58.7 Å²	58.7	63%	0.629	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	21.1	179.2	0	0	0	0	0	114.1	E324	G64-E324 PolarHBondContact N-OE1 3.48Å
65	G	88.6	Confident	91	Very high	19 Å²	19	59.5 Å²	59.5	20%	0.196	32%	0.318	C	S	.	.			trans	-69.6	-170.7	178.6	0	0	0	0	0	114.8	L63 K67	L63-G65 VanDerWaalsContact C-N 3.28Å; L63-G65 PolarHBondContact O-N 2.92Å; G65-K67 PolarHBondContact O-N 3.25Å
66	P	89.7	Confident	90	Very high	80 Å²	80	68 Å²	68	52%	0.519	36%	0.358	S	S	.	.			trans	-58.2	137.3	176.1	24.5	-32.4	0	0	0	110.6	A156	P66-A156 HydrophobicContact CG-CB 4.34Å; P66-A156 WeakPolarHBondContact O-CB 3.34Å
67	K	90.4	Very high	89.4	Confident	146 Å²	146	70.9 Å²	70.9	64%	0.635	38%	0.378	S	S	*	.			trans	-104.3	124.8	177.1	-63	-169.3	178.6	-163.5	0	110.2	G65	G65-K67 PolarHBondContact O-N 3.25Å
68	P	92.2	Very high	89.1	Confident	18 Å²	18	71.6 Å²	71.6	12%	0.117	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-59.1	166.3	168.7	-23.5	34.2	0	0	0	111.5	Q70 A156 S231 V326	P68-Q70 PolarHBondContact O-N 3.38Å; P68-A156 HydrophobicContact CG-CB 3.79Å; P68-S231 WeakPolarHBondContact CD-OG 3.38Å; P68-V326 HydrophobicContact CG-CG1 4.2Å
69	P	93.6	Very high	89	Confident	102 Å²	102	80.9 Å²	80.9	66%	0.662	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-53.6	138.4	171.7	-23.3	33.9	0	0	0	110.8	Y230 S231	P69-Y230 CarbonylContact O-C 3.27Å; P69-Y230 WeakPolarHBondContact O-CA 3.14Å; P69-Y230 WeakPolarHBondContact O-CB 3.25Å; P69-S231 PolarHBondContact O-N 2.88Å
70	Q	92.7	Very high	89	Confident	128 Å²	128	82 Å²	82	60%	0.598	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-74.2	133.6	178.2	-168.6	179.6	-63.1	0	0	110.3	P68 V72 S231	P68-Q70 PolarHBondContact O-N 3.38Å; Q70-V72 PolarHBondContact O-N 2.94Å; Q70-S231 WeakPolarHBondContact CA-O 3.27Å
71	R	89.6	Confident	89	Confident	72 Å²	72	84.1 Å²	84.1	27%	0.272	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-77.5	121.5	170.5	-174.1	172.8	-170.8	179.7	6.3	109.2	M73 Y230 S231 E242 N246	R71-M73 HydrophobicContact CG-SD 4.17Å; R71-M73 PolarHBondContact O-N 3.01Å; R71-Y230 HydrophobicContact CB-CD2 3.53Å; R71-Y230 HydrophobicContact CB-CE2 4.17Å; R71-Y230 HydrophobicContact CB-CG 3.82Å; R71-Y230 VanDerWaalsContact CD-CE2 3.43Å; R71-Y230 HydrophobicContact CG-CD2 4.23Å; R71-Y230 HydrophobicContact CG-CE2 4.44Å; R71-Y230 VanDerWaalsContact NH1-CZ 3.35Å; R71-Y230 PolarHBondContact NH1-OH 3.27Å; R71-S231 PolarHBondContact N-O 3.37Å; R71-E242 IonicContact CZ-OE2 3.99Å; R71-E242 IonicContact NE-OE2 3.96Å; R71-E242 IonicContact NH1-OE1 3.28Å; R71-E242 PolarHBondContact NH1-OE1 3.02Å; R71-E242 IonicContact NH1-OE2 3.84Å; R71-E242 PolarHBondContact NH1-OE2 2.82Å; R71-N246 PolarHBondContact NH1-ND2 2.77Å
72	V	82.7	Confident	88.9	Confident	103 Å²	103	91.2 Å²	91.2	62%	0.624	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-71.6	119.7	171.4	-178.8	0	0	0	0	108.4	Q70 F74	Q70-V72 PolarHBondContact O-N 2.94Å; V72-F74 HydrophobicContact CG1-CE1 4.43Å; V72-F74 HydrophobicContact CG1-CE2 4.21Å; V72-F74 HydrophobicContact CG1-CZ 4.03Å
73	M	80.5	Confident	89	Confident	26 Å²	26	91.1 Å²	91.1	13%	0.128	48%	0.484	C	S	.	.			trans	-105.2	124.2	179.5	-69.5	-66.4	-79.3	0	0	109.8	R71 T75 D238 A241 E242	R71-M73 HydrophobicContact CG-SD 4.17Å; R71-M73 PolarHBondContact O-N 3.01Å; M73-T75 HydrophobicContact CB-CG2 3.98Å; M73-D238 HydrophobicContact CB-CB 4.22Å; M73-D238 HydrophobicContact CG-CB 4.31Å; M73-A241 HydrophobicContact CE-CB 3.66Å; M73-E242 HydrophobicContact CE-CB 4.04Å
74	F	76.9	Confident	89.1	Confident	177 Å²	177	88.7 Å²	88.7	78%	0.776	47%	0.471	S	S	*	.			trans	-93.1	99.7	170.5	-60.6	-79.8	0	0	0	108.3	V72	V72-F74 HydrophobicContact CG1-CE1 4.43Å; V72-F74 HydrophobicContact CG1-CE2 4.21Å; V72-F74 HydrophobicContact CG1-CZ 4.03Å
75	T	77.8	Confident	89.5	Confident	18 Å²	18	86.8 Å²	86.8	11%	0.11	45%	0.446	C	S	.	.			trans	-113.9	1.1	-174.2	59.1	0	0	0	0	114	M73 D77 L78 K237 D238 A241	M73-T75 HydrophobicContact CB-CG2 3.98Å; T75-D77 PolarHBondContact O-N 3.41Å; T75-L78 PolarHBondContact O-N 2.96Å; T75-K237 WeakPolarHBondContact O-CE 3.2Å; T75-K237 PolarHBondContact O-NZ 2.75Å; T75-D238 WeakPolarHBondContact CG2-OD1 3.27Å; T75-D238 PolarHBondContact OG1-OD1 3.36Å; T75-A241 HydrophobicContact CG2-CB 3.52Å
76	E	72.8	Confident	89.9	Confident	179 Å²	179	85.9 Å²	85.9	84%	0.836	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-45.2	-174.7	-68.3	-178.3	173.3	0	0	112.7
77	D	80.8	Confident	90.4	Very high	158 Å²	158	85.1 Å²	85.1	85%	0.845	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-0.5	-178.5	-62.3	-44.8	0	0	0	114.7	T75 K79	T75-D77 PolarHBondContact O-N 3.41Å; D77-K79 PolarHBondContact O-N 3.13Å
78	L	88.6	Confident	90.8	Very high	48 Å²	48	85.8 Å²	85.8	25%	0.251	43%	0.429	S	S	.	.			trans	-80.3	111.3	-173.9	-159	79.5	0	0	0	110.6	T75 L80 A241	T75-L78 PolarHBondContact O-N 2.96Å; L78-L80 HydrophobicContact CD2-CD1 4.2Å; L78-L80 HydrophobicContact CD2-CD2 3.5Å; L78-L80 VanDerWaalsContact CD2-CD2 3.5Å; L78-L80 HydrophobicContact CD2-CG 3.83Å; L78-L80 HydrophobicContact CG-CD2 4.14Å; L78-L80 HydrophobicContact CG-CG 4.25Å; L78-L80 PolarHBondContact O-N 3.42Å; L78-A241 HydrophobicContact CD2-CB 3.58Å
79	K	93.5	Very high	91.1	Very high	197 Å²	197	89.3 Å²	89.3	86%	0.857	44%	0.443	S	S	*	.			trans	-84	96.1	171.1	-64.3	-175.3	-177.7	-179.9	0	109.8	D77	D77-K79 PolarHBondContact O-N 3.13Å
80	L	96.3	Very high	91.3	Very high	37 Å²	37	85.8 Å²	85.8	19%	0.194	42%	0.417	C	S	.	.			trans	-82.2	144.2	176.2	-67.2	168.2	0	0	0	110.7	L78 K237 M240 A241 Y244 W285	L78-L80 HydrophobicContact CD2-CD1 4.2Å; L78-L80 HydrophobicContact CD2-CD2 3.5Å; L78-L80 VanDerWaalsContact CD2-CD2 3.5Å; L78-L80 HydrophobicContact CD2-CG 3.83Å; L78-L80 HydrophobicContact CG-CD2 4.14Å; L78-L80 HydrophobicContact CG-CG 4.25Å; L78-L80 PolarHBondContact O-N 3.42Å; L80-K237 HydrophobicContact CD1-CG 4.3Å; L80-M240 HydrophobicContact CB-CE 4.17Å; L80-M240 HydrophobicContact CD1-CB 3.58Å; L80-M240 HydrophobicContact CD1-CE 4.3Å; L80-M240 HydrophobicContact CD1-SD 4.49Å; L80-A241 HydrophobicContact CD1-CB 4.2Å; L80-Y244 HydrophobicContact CD2-CD1 3.95Å; L80-Y244 HydrophobicContact CD2-CD2 4.12Å; L80-Y244 HydrophobicContact CD2-CG 3.62Å; L80-W285 HydrophobicContact CB-CZ2 4.44Å; L80-W285 HydrophobicContact CD2-CH2 4.47Å; L80-W285 HydrophobicContact CD2-CZ2 4.47Å
81	P	97.8	Very high	91.6	Very high	48 Å²	48	83.3 Å²	83.3	31%	0.312	41%	0.412	S	S	.	.			trans	-69.3	156.3	175.3	32.2	-38.1	0	0	0	111.6	S83 F84 Y244 W285	P81-S83 VanDerWaalsContact C-N 3.28Å; P81-S83 WeakPolarHBondContact CB-O 3.24Å; P81-S83 WeakPolarHBondContact CG-O 3.29Å; P81-S83 PolarHBondContact O-N 3.33Å; P81-F84 HydrophobicContact CG-CB 4.16Å; P81-F84 HydrophobicContact CG-CD2 4.28Å; P81-Y244 HydrophobicContact CG-CD2 4.41Å; P81-Y244 HydrophobicContact CG-CE2 4.15Å; P81-W285 HydrophobicContact CG-CZ2 3.98Å; P81-W285 PolarHBondContact O-NE1 3Å
82	E	97.7	Very high	92	Very high	154 Å²	154	84.8 Å²	84.8	72%	0.72	42%	0.422	S	S	*	.	S	Bend	trans	-64.2	-34.3	177.2	-177.5	176.2	-142.3	0	0	112.3	W285 V287	E82-W285 VanDerWaalsContact O-CD1 3.27Å; E82-V287 HydrophobicContact CG-CG2 4.2Å
83	S	98.8	Very high	92.8	Very high	76 Å²	76	79.9 Å²	79.9	53%	0.531	39%	0.393	S	S	.	.	S	Bend	trans	-130.4	149.6	172.4	55.3	0	0	0	0	110.6	P81 W285	P81-S83 VanDerWaalsContact C-N 3.28Å; P81-S83 WeakPolarHBondContact CB-O 3.24Å; P81-S83 WeakPolarHBondContact CG-O 3.29Å; P81-S83 PolarHBondContact O-N 3.33Å; S83-W285 CarbonylContact C-O 3.59Å; S83-W285 WeakPolarHBondContact CA-O 3.48Å
84	F	98.9	Very high	93.6	Very high	16 Å²	16	82.4 Å²	82.4	7%	0.07	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	136	179.6	180	-92.6	0	0	0	109.8	P81 A86 Q89 W90 I243 Y244 G284 W285	P81-F84 HydrophobicContact CG-CB 4.16Å; P81-F84 HydrophobicContact CG-CD2 4.28Å; F84-A86 HydrophobicContact CE1-CB 4.13Å; F84-Q89 HydrophobicContact CE2-CB 3.71Å; F84-Q89 HydrophobicContact CE2-CG 3.72Å; F84-Q89 HydrophobicContact CZ-CB 3.66Å; F84-Q89 HydrophobicContact CZ-CG 3.75Å; F84-W90 HydrophobicContact CE1-CH2 4.39Å; F84-W90 AromaticContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CZ-CE3 4.48Å; F84-W90 AromaticContact CZ-CH2 3.7Å; F84-W90 HydrophobicContact CZ-CH2 3.7Å; F84-W90 AromaticContact CZ-CZ3 3.58Å; F84-W90 HydrophobicContact CZ-CZ3 3.58Å; F84-I243 HydrophobicContact CD1-CG2 4.08Å; F84-I243 HydrophobicContact CE1-CG2 3.74Å; F84-Y244 AromaticContact CD2-CD2 3.66Å; F84-Y244 HydrophobicContact CD2-CD2 3.66Å; F84-Y244 HydrophobicContact CD2-CE2 4.01Å; F84-Y244 AromaticContact CE2-CD2 3.55Å; F84-Y244 HydrophobicContact CE2-CD2 3.55Å; F84-Y244 AromaticContact CE2-CE2 3.92Å; F84-Y244 HydrophobicContact CE2-CE2 3.92Å; F84-Y244 HydrophobicContact CG-CD2 4.49Å; F84-Y244 HydrophobicContact CZ-CD2 4.33Å; F84-G284 CarbonylContact O-C 3.48Å; F84-G284 WeakPolarHBondContact O-CA 3.49Å; F84-W285 HydrophobicContact CB-CD2 3.71Å; F84-W285 VanDerWaalsContact CB-CE2 3.41Å; F84-W285 HydrophobicContact CB-CE3 3.83Å; F84-W285 HydrophobicContact CB-CH2 3.4Å; F84-W285 VanDerWaalsContact CB-CH2 3.4Å; F84-W285 HydrophobicContact CB-CZ2 3.3Å; F84-W285 HydrophobicContact CB-CZ3 3.68Å; F84-W285 HydrophobicContact CD1-CE3 4.05Å; F84-W285 AromaticContact CD1-CH2 3.73Å; F84-W285 HydrophobicContact CD1-CH2 3.73Å; 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 4.11Å; F84-W285 HydrophobicContact CD2-CZ2 4.49Å; F84-W285 HydrophobicContact CE1-CZ3 4.28Å; F84-W285 HydrophobicContact CG-CE3 4.27Å; F84-W285 AromaticContact CG-CH2 3.47Å; F84-W285 HydrophobicContact CG-CH2 3.47Å; F84-W285 VanDerWaalsContact CG-CH2 3.47Å; F84-W285 AromaticContact CG-CZ2 3.89Å; F84-W285 HydrophobicContact CG-CZ2 3.89Å; F84-W285 AromaticContact CG-CZ3 3.69Å; F84-W285 HydrophobicContact CG-CZ3 3.69Å; F84-W285 PolarHBondContact N-O 3.49Å; F84-W285 PolarHBondContact O-N 3.09Å
85	D	98.9	Very high	94.7	Very high	20 Å²	20	74.4 Å²	74.4	11%	0.107	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.5	172.9	-170	-32.3	0	0	0	109	R87 E88 Q89 L295	D85-R87 PolarHBondContact O-N 2.59Å; D85-R87 VanDerWaalsContact O-N 3.13Å; D85-R87 WeakPolarHBondContact OD1-CB 3.49Å; D85-R87 VanDerWaalsContact OD1-CG 3.29Å; D85-R87 WeakPolarHBondContact OD1-CG 3.41Å; D85-R87 IonicContact OD1-CZ 3.93Å; D85-R87 PolarHBondContact OD1-N 3.1Å; D85-R87 IonicContact OD1-NE 3.72Å; D85-R87 PolarHBondContact OD1-NE 3.45Å; D85-R87 IonicContact OD2-CZ 3.26Å; D85-R87 VanDerWaalsContact OD2-CZ 3.26Å; D85-R87 IonicContact OD2-NE 2.98Å; D85-R87 PolarHBondContact OD2-NE 2.94Å; D85-R87 IonicContact OD2-NH2 2.66Å; D85-R87 PolarHBondContact OD2-NH2 3Å; D85-E88 HydrophobicContact CB-CB 4.33Å; D85-E88 HydrophobicContact CB-CG 4.03Å; D85-E88 PolarHBondContact O-N 3.25Å; D85-Q89 PolarHBondContact O-N 2.98Å; D85-L295 HydrophobicContact CB-CD2 4.37Å; D85-L295 WeakPolarHBondContact OD2-CD2 3.44Å
86	A	98.9	Very high	95.7	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-58.2	-27.1	179.1	0	0	0	0	0	112.7	F84 E88 Q89 W90 I96 P248 L283	F84-A86 HydrophobicContact CE1-CB 4.13Å; A86-E88 VanDerWaalsContact C-N 3.28Å; A86-E88 PolarHBondContact O-N 2.75Å; A86-Q89 PolarHBondContact O-N 2.98Å; A86-W90 HydrophobicContact CB-CE3 3.75Å; A86-W90 HydrophobicContact CB-CZ3 3.68Å; A86-W90 PolarHBondContact O-N 3.04Å; A86-I96 HydrophobicContact CB-CD1 4.49Å; A86-I96 HydrophobicContact CB-CG2 3.72Å; A86-P248 HydrophobicContact CB-CG 3.92Å; A86-L283 HydrophobicContact CB-CB 4.17Å; A86-L283 WeakPolarHBondContact CB-O 3.33Å; A86-L283 PolarHBondContact N-O 2.96Å
87	R	98.9	Very high	96.9	Very high	65 Å²	65	70.6 Å²	70.6	25%	0.245	36%	0.356	C	S	.	.	H	α-helix	trans	-69.2	-29.4	178.3	-56.8	171.1	-63.9	178.8	6.8	111.9	D85 P91 I96 K97 L283	D85-R87 PolarHBondContact O-N 2.59Å; D85-R87 VanDerWaalsContact O-N 3.13Å; D85-R87 WeakPolarHBondContact OD1-CB 3.49Å; D85-R87 VanDerWaalsContact OD1-CG 3.29Å; D85-R87 WeakPolarHBondContact OD1-CG 3.41Å; D85-R87 IonicContact OD1-CZ 3.93Å; D85-R87 PolarHBondContact OD1-N 3.1Å; D85-R87 IonicContact OD1-NE 3.72Å; D85-R87 PolarHBondContact OD1-NE 3.45Å; D85-R87 IonicContact OD2-CZ 3.26Å; D85-R87 VanDerWaalsContact OD2-CZ 3.26Å; D85-R87 IonicContact OD2-NE 2.98Å; D85-R87 PolarHBondContact OD2-NE 2.94Å; D85-R87 IonicContact OD2-NH2 2.66Å; D85-R87 PolarHBondContact OD2-NH2 3Å; R87-P91 WeakPolarHBondContact O-CA 3.35Å; R87-I96 HydrophobicContact CB-CG2 4.45Å; R87-I96 HydrophobicContact CG-CB 4.32Å; R87-I96 HydrophobicContact CG-CG2 3.63Å; R87-K97 HydrophobicContact CB-CG 4.05Å; R87-K97 HydrophobicContact CG-CG 3.87Å; R87-L283 HydrophobicContact CG-CD1 3.81Å
88	E	98.8	Very high	97.8	Very high	159 Å²	159	64.8 Å²	64.8	74%	0.743	32%	0.323	S	S	*	.	H	α-helix	trans	-86.1	-35.3	175.9	-62.4	-175.2	177.9	0	0	111.6	D85 A86 P91	D85-E88 HydrophobicContact CB-CB 4.33Å; D85-E88 HydrophobicContact CB-CG 4.03Å; D85-E88 PolarHBondContact O-N 3.25Å; A86-E88 VanDerWaalsContact C-N 3.28Å; A86-E88 PolarHBondContact O-N 2.75Å; E88-P91 WeakPolarHBondContact O-CD 3.37Å
89	Q	98.6	Very high	98.2	Very high	92 Å²	92	63.3 Å²	63.3	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-70.9	-37.6	178.9	-179.4	61.4	50	0	0	112.7	F84 D85 A86 P91	F84-Q89 HydrophobicContact CE2-CB 3.71Å; F84-Q89 HydrophobicContact CE2-CG 3.72Å; F84-Q89 HydrophobicContact CZ-CB 3.66Å; F84-Q89 HydrophobicContact CZ-CG 3.75Å; D85-Q89 PolarHBondContact O-N 2.98Å; A86-Q89 PolarHBondContact O-N 2.98Å; Q89-P91 VanDerWaalsContact C-CD 3.43Å; Q89-P91 WeakPolarHBondContact O-CD 3.15Å
90	W	98.7	Very high	98.5	Very high	28 Å²	28	54.1 Å²	54.1	11%	0.106	28%	0.275	C	S	.	.			trans	-125.9	64.7	-179.9	-59	-76.2	0	0	0	111.3	F84 A86 Q92 C93 I96 I123 I243	F84-W90 HydrophobicContact CE1-CH2 4.39Å; F84-W90 AromaticContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CZ-CE3 4.48Å; F84-W90 AromaticContact CZ-CH2 3.7Å; F84-W90 HydrophobicContact CZ-CH2 3.7Å; F84-W90 AromaticContact CZ-CZ3 3.58Å; F84-W90 HydrophobicContact CZ-CZ3 3.58Å; A86-W90 HydrophobicContact CB-CE3 3.75Å; A86-W90 HydrophobicContact CB-CZ3 3.68Å; A86-W90 PolarHBondContact O-N 3.04Å; W90-Q92 PolarHBondContact O-N 3.14Å; W90-Q92 VanDerWaalsContact O-N 3.11Å; W90-C93 HydrophobicContact CB-CB 4.28Å; W90-C93 PolarHBondContact O-N 3.34Å; W90-I96 HydrophobicContact CB-CD1 3.67Å; W90-I96 HydrophobicContact CE3-CD1 4.2Å; W90-I96 HydrophobicContact CG-CD1 4.47Å; W90-I123 HydrophobicContact CB-CG1 4.23Å; W90-I123 HydrophobicContact CD2-CD1 3.66Å; W90-I123 HydrophobicContact CD2-CG1 3.76Å; W90-I123 HydrophobicContact CD2-CG2 4.44Å; W90-I123 HydrophobicContact CE3-CD1 3.6Å; W90-I123 HydrophobicContact CE3-CG1 4.23Å; W90-I123 HydrophobicContact CG-CD1 4.15Å; W90-I123 HydrophobicContact CG-CG1 3.76Å; W90-I123 HydrophobicContact CH2-CD1 4.38Å; W90-I123 HydrophobicContact CZ2-CD1 4.41Å; W90-I123 HydrophobicContact CZ2-CG2 4.14Å; W90-I123 HydrophobicContact CZ3-CD1 3.98Å; W90-I243 WeakPolarHBondContact CH2-O 3.21Å
91	P	98.4	Very high	98.5	Very high	76 Å²	76	52.9 Å²	52.9	49%	0.494	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.1	-174.8	27.4	-36.6	0	0	0	113.6	R87 E88 Q89 C93	R87-P91 WeakPolarHBondContact O-CA 3.35Å; E88-P91 WeakPolarHBondContact O-CD 3.37Å; Q89-P91 VanDerWaalsContact C-CD 3.43Å; Q89-P91 WeakPolarHBondContact O-CD 3.15Å; P91-C93 VanDerWaalsContact C-N 3.27Å; P91-C93 PolarHBondContact O-N 3.09Å
92	Q	98.4	Very high	98.5	Very high	103 Å²	103	50.6 Å²	50.6	48%	0.481	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.8	175.9	70.5	-82	13.6	0	0	114.1	W90 P94 A127	W90-Q92 PolarHBondContact O-N 3.14Å; W90-Q92 VanDerWaalsContact O-N 3.11Å; Q92-P94 VanDerWaalsContact O-CD 3.24Å; Q92-P94 WeakPolarHBondContact O-CD 3.26Å; Q92-A127 HydrophobicContact CB-CB 4.11Å; Q92-A127 HydrophobicContact CG-CB 3.31Å
93	C	98.7	Very high	98.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	22%	0.22	C	C	.	.			trans	-103.7	92.8	177.7	-68	0	0	0	0	110.4	W90 P91 T95 I96 C122	W90-C93 HydrophobicContact CB-CB 4.28Å; W90-C93 PolarHBondContact O-N 3.34Å; P91-C93 VanDerWaalsContact C-N 3.27Å; P91-C93 PolarHBondContact O-N 3.09Å; C93-T95 VanDerWaalsContact C-N 3.28Å; C93-T95 PolarHBondContact O-N 3.45Å; C93-I96 HydrophobicContact CB-CD1 3.6Å; C93-I96 HydrophobicContact CB-CG1 3.89Å; C93-I96 WeakPolarHBondContact O-CG1 3.45Å; C93-I96 PolarHBondContact O-N 2.99Å; C93-C122 WeakPolarHBondContact CA-SG 3.31Å; C93-C122 HydrophobicContact CB-CB 3.72Å; C93-C122 WeakPolarHBondContact CB-SG 3.45Å; C93-C122 VanDerWaalsContact SG-C 3.55Å; C93-C122 WeakPolarHBondContact SG-CB 3.25Å; C93-C122 CovalentContact SG-SG 2.04Å; C93-C122 PolarHBondContact SG-SG 3Å
94	P	98.4	Very high	98.1	Very high	79 Å²	79	40.4 Å²	40.4	51%	0.513	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-64.7	-30.5	-172.1	26	-35.7	0	0	0	113.4	Q92 I96 K97 S130	Q92-P94 VanDerWaalsContact O-CD 3.24Å; Q92-P94 WeakPolarHBondContact O-CD 3.26Å; P94-I96 PolarHBondContact O-N 3.11Å; P94-I96 VanDerWaalsContact O-N 3.11Å; P94-K97 PolarHBondContact O-N 3.07Å; P94-K97 VanDerWaalsContact O-N 3.07Å; P94-S130 WeakPolarHBondContact CD-OG 3.43Å
95	T	98.7	Very high	98	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.3	-27.8	180	59.6	0	0	0	0	112.6	C93 K97 E98 D119 E132	C93-T95 VanDerWaalsContact C-N 3.28Å; C93-T95 PolarHBondContact O-N 3.45Å; T95-K97 PolarHBondContact O-N 3.22Å; T95-E98 WeakPolarHBondContact O-CB 3.39Å; T95-E98 PolarHBondContact O-N 2.95Å; T95-E98 VanDerWaalsContact O-N 3.07Å; T95-D119 VanDerWaalsContact CB-OD1 3.25Å; T95-D119 WeakPolarHBondContact CB-OD1 3.32Å; T95-D119 WeakPolarHBondContact OG1-CA 3.37Å; T95-D119 PolarHBondContact OG1-OD1 2.77Å; T95-E132 HydrophobicContact CG2-CG 4.4Å
96	I	98.8	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-65.1	-30.9	-178.2	-52.7	176.4	0	0	0	110.8	A86 R87 W90 C93 P94 D119 I123 P248 R281 L283	A86-I96 HydrophobicContact CB-CD1 4.49Å; A86-I96 HydrophobicContact CB-CG2 3.72Å; R87-I96 HydrophobicContact CB-CG2 4.45Å; R87-I96 HydrophobicContact CG-CB 4.32Å; R87-I96 HydrophobicContact CG-CG2 3.63Å; W90-I96 HydrophobicContact CB-CD1 3.67Å; W90-I96 HydrophobicContact CE3-CD1 4.2Å; W90-I96 HydrophobicContact CG-CD1 4.47Å; C93-I96 HydrophobicContact CB-CD1 3.6Å; C93-I96 HydrophobicContact CB-CG1 3.89Å; C93-I96 WeakPolarHBondContact O-CG1 3.45Å; C93-I96 PolarHBondContact O-N 2.99Å; P94-I96 PolarHBondContact O-N 3.11Å; P94-I96 VanDerWaalsContact O-N 3.11Å; I96-D119 VanDerWaalsContact CA-OD1 3.24Å; I96-D119 WeakPolarHBondContact CA-OD1 3.41Å; I96-D119 HydrophobicContact CG1-CB 3.94Å; I96-D119 WeakPolarHBondContact CG1-OD1 3.38Å; I96-D119 PolarHBondContact N-OD1 3.3Å; I96-I123 HydrophobicContact CD1-CD1 4.07Å; I96-I123 HydrophobicContact CD1-CG1 4.4Å; I96-P248 HydrophobicContact CG2-CG 4.25Å; I96-R281 PolarHBondContact O-NH1 3.35Å; I96-R281 PolarHBondContact O-NH2 3.3Å; I96-L283 HydrophobicContact CG2-CD1 4.23Å
97	K	98.7	Very high	97.9	Very high	117 Å²	117	38.7 Å²	38.7	51%	0.509	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-85.8	-16.4	179.2	-61.9	176.5	-178.6	173.6	0	113	R87 P94 T95	R87-K97 HydrophobicContact CB-CG 4.05Å; R87-K97 HydrophobicContact CG-CG 3.87Å; P94-K97 PolarHBondContact O-N 3.07Å; P94-K97 VanDerWaalsContact O-N 3.07Å; T95-K97 PolarHBondContact O-N 3.22Å
98	E	98.7	Very high	97.9	Very high	36 Å²	36	35.6 Å²	35.6	17%	0.168	18%	0.18	C	C	.	.			trans	-66.8	135	-177.4	-174	178.1	-133.2	0	0	110.4	T95 R100 R281	T95-E98 WeakPolarHBondContact O-CB 3.39Å; T95-E98 PolarHBondContact O-N 2.95Å; T95-E98 VanDerWaalsContact O-N 3.07Å; E98-R100 HydrophobicContact CG-CG 4.1Å; E98-R100 IonicContact OE2-CZ 3.71Å; E98-R100 VanDerWaalsContact OE2-CZ 3.28Å; E98-R100 IonicContact OE2-NE 4Å; E98-R100 PolarHBondContact OE2-NE 3.31Å; E98-R100 IonicContact OE2-NH2 3.92Å; E98-R100 PolarHBondContact OE2-NH2 2.85Å; E98-R281 PolarHBondContact O-NH2 2.81Å; E98-R281 VanDerWaalsContact O-NH2 3.07Å
99	I	98.7	Very high	97.9	Very high	16 Å²	16	28.1 Å²	28.1	8%	0.082	15%	0.145	C	C	.	.			trans	-112.8	133.6	166.4	-68.9	-62.6	0	0	0	106.6	A297 T302 F309	I99-A297 HydrophobicContact CD1-CB 3.65Å; I99-T302 HydrophobicContact CB-CG2 3.69Å; I99-T302 HydrophobicContact CG1-CG2 4.28Å; I99-T302 HydrophobicContact CG2-CG2 3.83Å; I99-F309 HydrophobicContact CD1-CD1 4.11Å; I99-F309 HydrophobicContact CD1-CD2 4.05Å; I99-F309 HydrophobicContact CD1-CE1 3.8Å; I99-F309 HydrophobicContact CD1-CE2 3.72Å; I99-F309 HydrophobicContact CD1-CG 4.23Å; I99-F309 HydrophobicContact CD1-CZ 3.58Å; I99-F309 HydrophobicContact CG1-CD2 4.15Å; I99-F309 HydrophobicContact CG1-CE1 4.48Å; I99-F309 HydrophobicContact CG1-CE2 3.57Å; I99-F309 HydrophobicContact CG1-CZ 3.76Å
100	R	98.4	Very high	97.9	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.019	12%	0.124	C	C	.	.			trans	-111.1	175.9	-179.8	-52.5	-168.1	168.5	-164.5	-7.6	111.5	E98 F111 E115 E132 V133 L172 S299 N301	E98-R100 HydrophobicContact CG-CG 4.1Å; E98-R100 IonicContact OE2-CZ 3.71Å; E98-R100 VanDerWaalsContact OE2-CZ 3.28Å; E98-R100 IonicContact OE2-NE 4Å; E98-R100 PolarHBondContact OE2-NE 3.31Å; E98-R100 IonicContact OE2-NH2 3.92Å; E98-R100 PolarHBondContact OE2-NH2 2.85Å; R100-F111 HydrophobicContact CB-CD1 3.69Å; R100-F111 HydrophobicContact CB-CE1 3.62Å; R100-F111 HydrophobicContact CG-CD1 4.47Å; R100-E115 HydrophobicContact CG-CG 4.22Å; R100-E132 IonicContact NH2-OE2 2.59Å; R100-V133 PolarHBondContact NH1-O 2.82Å; R100-L172 HydrophobicContact CB-CD2 3.94Å; R100-L172 HydrophobicContact CG-CD2 3.79Å; R100-S299 CarbonylContact O-C 3.5Å; R100-S299 VanDerWaalsContact O-C 3.25Å; R100-S299 WeakPolarHBondContact O-CA 3.31Å; R100-N301 PolarHBondContact O-N 2.99Å
101	D	97.7	Very high	97.9	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-132.6	120.7	179.7	-169.9	-15.7	0	0	0	109.8	G103 F111 P186 S299 N301	D101-G103 VanDerWaalsContact C-N 3.25Å; D101-G103 WeakPolarHBondContact OD1-CA 3.28Å; D101-G103 PolarHBondContact OD1-N 3.47Å; D101-F111 WeakPolarHBondContact O-CZ 3.42Å; D101-P186 HydrophobicContact CB-CG 4.34Å; D101-P186 WeakPolarHBondContact OD2-CA 3.24Å; D101-P186 WeakPolarHBondContact OD2-CB 3.5Å; D101-S299 WeakPolarHBondContact CA-O 3.28Å; D101-N301 HydrophobicContact CB-CB 4.03Å; D101-N301 WeakPolarHBondContact OD2-CB 3.02Å; D101-N301 PolarHBondContact OD2-ND2 2.89Å
102	Q	97.1	Very high	98	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.			trans	-79.7	-6.2	177	73.1	-175	79.7	0	0	113.5	L58 C105 F111 Y182 H278 S299 W300	L58-Q102 HydrophobicContact CD2-CG 4.09Å; L58-Q102 PolarHBondContact O-NE2 2.88Å; Q102-C105 WeakPolarHBondContact CG-O 3.42Å; Q102-C105 PolarHBondContact NE2-O 3.27Å; Q102-C105 WeakPolarHBondContact O-CB 3.45Å; Q102-C105 PolarHBondContact O-N 2.9Å; Q102-F111 HydrophobicContact CB-CD2 3.94Å; Q102-F111 HydrophobicContact CB-CE2 3.77Å; Q102-F111 HydrophobicContact CB-CG 4.46Å; Q102-F111 HydrophobicContact CB-CZ 4.14Å; Q102-Y182 PolarHBondContact O-OH 3.43Å; Q102-H278 PolarHBondContact OE1-CE1 3.12Å; Q102-S299 WeakPolarHBondContact CG-O 3.09Å; Q102-S299 PolarHBondContact N-O 3.41Å; Q102-S299 PolarHBondContact OE1-OG 2.75Å; Q102-W300 VanDerWaalsContact OE1-CD1 3.3Å; Q102-W300 VanDerWaalsContact OE1-NE1 3.12Å
103	G	94.6	Very high	98	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-148.5	-174.8	0	0	0	0	0	112.7	D101 C105	D101-G103 VanDerWaalsContact C-N 3.25Å; D101-G103 WeakPolarHBondContact OD1-CA 3.28Å; D101-G103 PolarHBondContact OD1-N 3.47Å; G103-C105 PolarHBondContact O-N 3.27Å
104	S	93.8	Very high	98	Very high	15 Å²	15	14.1 Å²	14.1	11%	0.105	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	37.8	176.7	-74.2	0	0	0	0	114.1	Y54 R57 T199	Y54-S104 WeakPolarHBondContact CD2-OG 3.24Å; Y54-S104 WeakPolarHBondContact CE2-OG 3.45Å; R57-S104 WeakPolarHBondContact CD-O 3.3Å; R57-S104 PolarHBondContact NE-O 2.71Å; S104-T199 WeakPolarHBondContact CB-O 3.38Å; S104-T199 PolarHBondContact OG-N 3.17Å; S104-T199 PolarHBondContact OG-O 3.13Å
105	C	96.4	Very high	98	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-132.6	130.7	-175.8	171.3	0	0	0	0	110.2	Q102 G103 S107 C150 I184	Q102-C105 WeakPolarHBondContact CG-O 3.42Å; Q102-C105 PolarHBondContact NE2-O 3.27Å; Q102-C105 WeakPolarHBondContact O-CB 3.45Å; Q102-C105 PolarHBondContact O-N 2.9Å; G103-C105 PolarHBondContact O-N 3.27Å; C105-S107 PolarHBondContact O-N 2.04Å; C105-S107 WeakPolarHBondContact SG-CB 3.38Å; C105-S107 PolarHBondContact SG-OG 3.32Å; C105-S107 VanDerWaalsContact SG-OG 3.39Å; C105-C150 HydrophobicContact CB-CB 3.83Å; C105-C150 WeakPolarHBondContact CB-SG 3.49Å; C105-C150 WeakPolarHBondContact SG-CA 3.37Å; C105-C150 WeakPolarHBondContact SG-CB 3.18Å; C105-C150 CovalentContact SG-SG 2.03Å; C105-C150 PolarHBondContact SG-SG 3Å; C105-I184 HydrophobicContact CB-CD1 3.55Å
106	G	97.6	Very high	98	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.			trans	-74.7	57.8	174	0	0	0	0	0	112.6	R57 W109 C150	R57-G106 WeakPolarHBondContact O-CA 3.31Å; R57-G106 PolarHBondContact O-N 3.01Å; G106-W109 VanDerWaalsContact O-CD1 3.3Å; G106-W109 PolarHBondContact O-NE1 2.79Å; G106-C150 WeakPolarHBondContact CA-O 3.34Å; G106-C150 PolarHBondContact N-O 3.46Å
107	S	98.6	Very high	98	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.			trans	-104.1	11.7	-176.9	55.3	0	0	0	0	113.5	C105 W109 A110 F111 Y182	C105-S107 PolarHBondContact O-N 2.04Å; C105-S107 WeakPolarHBondContact SG-CB 3.38Å; C105-S107 PolarHBondContact SG-OG 3.32Å; C105-S107 VanDerWaalsContact SG-OG 3.39Å; S107-W109 PolarHBondContact O-N 3.34Å; S107-W109 VanDerWaalsContact O-N 3.09Å; S107-A110 WeakPolarHBondContact O-CA 3.45Å; S107-A110 VanDerWaalsContact O-CB 3.31Å; S107-A110 WeakPolarHBondContact O-CB 3.26Å; S107-A110 PolarHBondContact O-N 2.93Å; S107-F111 WeakPolarHBondContact O-CD2 3.49Å; S107-F111 PolarHBondContact O-N 2.9Å; S107-F111 VanDerWaalsContact O-N 3.08Å; S107-F111 VanDerWaalsContact OG-CE2 3.23Å; S107-F111 WeakPolarHBondContact OG-CE2 3.5Å; S107-Y182 PolarHBondContact OG-OH 2.99Å
108	C	98.8	Very high	98.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-52.1	-35.1	179.6	56.3	0	0	0	0	114.1	G60 T61 A110 F111 G112 H278	G60-C108 VanDerWaalsContact C-SG 3.59Å; G60-C108 PolarHBondContact N-SG 2.99Å; T61-C108 PolarHBondContact OG1-SG 2.68Å; C108-A110 PolarHBondContact O-N 3.48Å; C108-F111 PolarHBondContact O-N 2.96Å; C108-F111 VanDerWaalsContact O-N 3.11Å; C108-G112 PolarHBondContact O-N 2.92Å; C108-H278 WeakPolarHBondContact CB-CE1 3.43Å; C108-H278 VanDerWaalsContact CB-ND1 3.29Å; C108-H278 WeakPolarHBondContact CB-ND1 3.49Å; C108-H278 PolarHBondContact SG-ND1 3.39Å
109	W	98.8	Very high	98.1	Very high	2 Å²	2	3 Å²	3	1%	0.008	2%	0.017	C	C	.	.	H	α-helix	trans	-60.7	-23	173.1	65.9	-90.9	0	0	0	114.2	G106 S107 L138 L139 C146 G149 P155 A158	G106-W109 VanDerWaalsContact O-CD1 3.3Å; G106-W109 PolarHBondContact O-NE1 2.79Å; S107-W109 PolarHBondContact O-N 3.34Å; S107-W109 VanDerWaalsContact O-N 3.09Å; W109-L138 HydrophobicContact CH2-CG 4.42Å; W109-L138 HydrophobicContact CZ3-CD1 4.26Å; W109-L138 HydrophobicContact CZ3-CD2 4.3Å; W109-L138 HydrophobicContact CZ3-CG 3.97Å; W109-L139 HydrophobicContact CZ2-CD1 3.96Å; W109-C146 HydrophobicContact CE3-CB 4.04Å; W109-C146 HydrophobicContact CH2-CB 3.43Å; W109-C146 VanDerWaalsContact CH2-CB 3.43Å; W109-C146 HydrophobicContact CZ2-CB 4.3Å; W109-C146 HydrophobicContact CZ3-CB 3.28Å; W109-G149 PolarHBondContact NE1-O 2.96Å; W109-P155 HydrophobicContact CB-CG 4.28Å; W109-A158 HydrophobicContact CE3-CB 4.05Å; W109-A158 HydrophobicContact CZ3-CB 4.12Å
110	A	98.9	Very high	98.1	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-91.3	-37.4	173.3	0	0	0	0	0	110.8	S107 C108 V114 L138	S107-A110 WeakPolarHBondContact O-CA 3.45Å; S107-A110 VanDerWaalsContact O-CB 3.31Å; S107-A110 WeakPolarHBondContact O-CB 3.26Å; S107-A110 PolarHBondContact O-N 2.93Å; C108-A110 PolarHBondContact O-N 3.48Å; A110-V114 WeakPolarHBondContact O-CG1 3.14Å; A110-V114 WeakPolarHBondContact O-CG2 2.98Å; A110-V114 PolarHBondContact O-N 3.01Å; A110-L138 HydrophobicContact CB-CB 4.44Å; A110-L138 HydrophobicContact CB-CD2 3.65Å; A110-L138 HydrophobicContact CB-CG 3.96Å
111	F	98.9	Very high	98.1	Very high	4 Å²	4	2.4 Å²	2.4	2%	0.018	1%	0.014	C	C	.	.	H	α-helix	trans	-65.8	-52.7	179.6	-84.8	-100.9	0	0	0	112.3	R100 D101 Q102 S107 C108 A113 V114 E115 A135 Y182	R100-F111 HydrophobicContact CB-CD1 3.69Å; R100-F111 HydrophobicContact CB-CE1 3.62Å; R100-F111 HydrophobicContact CG-CD1 4.47Å; D101-F111 WeakPolarHBondContact O-CZ 3.42Å; Q102-F111 HydrophobicContact CB-CD2 3.94Å; Q102-F111 HydrophobicContact CB-CE2 3.77Å; Q102-F111 HydrophobicContact CB-CG 4.46Å; Q102-F111 HydrophobicContact CB-CZ 4.14Å; S107-F111 WeakPolarHBondContact O-CD2 3.49Å; S107-F111 PolarHBondContact O-N 2.9Å; S107-F111 VanDerWaalsContact O-N 3.08Å; S107-F111 VanDerWaalsContact OG-CE2 3.23Å; S107-F111 WeakPolarHBondContact OG-CE2 3.5Å; C108-F111 PolarHBondContact O-N 2.96Å; C108-F111 VanDerWaalsContact O-N 3.11Å; F111-A113 PolarHBondContact O-N 3.37Å; F111-V114 PolarHBondContact O-N 3.42Å; F111-E115 WeakPolarHBondContact O-CB 3.03Å; F111-E115 VanDerWaalsContact O-CG 3.23Å; F111-E115 WeakPolarHBondContact O-CG 3.45Å; F111-E115 PolarHBondContact O-N 3.23Å; F111-A135 HydrophobicContact CD2-CB 4.14Å; F111-A135 HydrophobicContact CE1-CB 4.28Å; F111-A135 HydrophobicContact CE2-CB 3.84Å; F111-A135 HydrophobicContact CG-CB 4.49Å; F111-A135 HydrophobicContact CZ-CB 3.92Å; F111-Y182 HydrophobicContact CE2-CD2 4.32Å; F111-Y182 HydrophobicContact CE2-CE1 4.1Å; F111-Y182 AromaticContact CE2-CE2 3.65Å; F111-Y182 HydrophobicContact CE2-CE2 3.65Å; F111-Y182 AromaticContact CE2-CZ 3.54Å; F111-Y182 AromaticContact CZ-CD1 3.99Å; F111-Y182 HydrophobicContact CZ-CD1 3.99Å; F111-Y182 HydrophobicContact CZ-CD2 4Å; F111-Y182 AromaticContact CZ-CE1 3.7Å; F111-Y182 HydrophobicContact CZ-CE1 3.7Å; F111-Y182 AromaticContact CZ-CE2 3.74Å; F111-Y182 HydrophobicContact CZ-CE2 3.74Å; F111-Y182 HydrophobicContact CZ-CG 4.13Å; F111-Y182 AromaticContact CZ-CZ 3.59Å
112	G	98.8	Very high	98.1	Very high	3 Å²	3	1.9 Å²	1.9	3%	0.031	1%	0.011	C	C	.	.	H	α-helix	trans	-53.1	-42.5	176.7	0	0	0	0	0	111.8	C108 A116 E250	C108-G112 PolarHBondContact O-N 2.92Å; G112-A116 WeakPolarHBondContact O-CB 3.38Å; G112-A116 PolarHBondContact O-N 3.43Å; G112-E250 WeakPolarHBondContact CA-OE1 3.26Å
113	A	98.9	Very high	98.2	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-62.2	-59.1	175.1	0	0	0	0	0	112.4	F111 E115 A116 I117 L138 A158 E250	F111-A113 PolarHBondContact O-N 3.37Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-E115 PolarHBondContact O-N 2.82Å; A113-A116 PolarHBondContact O-N 3.33Å; A113-I117 HydrophobicContact CB-CD1 4.49Å; A113-I117 WeakPolarHBondContact O-CB 3.24Å; A113-I117 WeakPolarHBondContact O-CD1 3.46Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.07Å; A113-L138 HydrophobicContact CB-CD2 4.14Å; A113-A158 HydrophobicContact CB-CB 3.68Å; A113-E250 WeakPolarHBondContact CB-OE2 3.47Å; A113-E250 PolarHBondContact N-OE1 2.97Å; A113-E250 PolarHBondContact N-OE2 3.42Å
114	V	98.9	Very high	98.3	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-69.9	-30.2	-172.7	-59	0	0	0	0	113.2	A110 F111 S118 V133 A135 L138 L167	A110-V114 WeakPolarHBondContact O-CG1 3.14Å; A110-V114 WeakPolarHBondContact O-CG2 2.98Å; A110-V114 PolarHBondContact O-N 3.01Å; F111-V114 PolarHBondContact O-N 3.42Å; V114-S118 WeakPolarHBondContact O-CB 3.31Å; V114-S118 PolarHBondContact O-N 3.42Å; V114-S118 PolarHBondContact O-OG 3.45Å; V114-V133 HydrophobicContact CB-CB 4.04Å; V114-V133 HydrophobicContact CB-CG1 4Å; V114-V133 HydrophobicContact CG1-CB 4.49Å; V114-V133 HydrophobicContact CG1-CG1 3.9Å; V114-A135 HydrophobicContact CG2-CB 3.79Å; V114-L138 HydrophobicContact CG1-CB 4.2Å; V114-L138 HydrophobicContact CG1-CD2 3.72Å; V114-L167 HydrophobicContact CG1-CD1 3.92Å
115	E	98.9	Very high	98.5	Very high	7 Å²	7	4 Å²	4	3%	0.033	2%	0.022	C	C	.	.	H	α-helix	trans	-64.9	-50.6	173.8	-69.3	175.5	-162.1	0	0	110.3	R100 F111 A113 I117 S118 D119 R281	R100-E115 HydrophobicContact CG-CG 4.22Å; F111-E115 WeakPolarHBondContact O-CB 3.03Å; F111-E115 VanDerWaalsContact O-CG 3.23Å; F111-E115 WeakPolarHBondContact O-CG 3.45Å; F111-E115 PolarHBondContact O-N 3.23Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-E115 PolarHBondContact O-N 2.82Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.06Å; E115-S118 WeakPolarHBondContact O-CB 3.24Å; E115-S118 PolarHBondContact O-N 2.88Å; E115-D119 VanDerWaalsContact O-CG 3.25Å; E115-D119 PolarHBondContact O-N 3.03Å; E115-D119 VanDerWaalsContact O-N 3.08Å; E115-R281 IonicContact OE2-NE 2.82Å; E115-R281 PolarHBondContact OE2-NE 2.99Å
116	A	98.9	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.4	-36.4	177.1	0	0	0	0	0	112.2	G112 A113 R120 W159 R281	G112-A116 WeakPolarHBondContact O-CB 3.38Å; G112-A116 PolarHBondContact O-N 3.43Å; A113-A116 PolarHBondContact O-N 3.33Å; A116-R120 WeakPolarHBondContact O-CB 3.43Å; A116-R120 WeakPolarHBondContact O-CG 3.36Å; A116-R120 PolarHBondContact O-N 3.17Å; A116-W159 HydrophobicContact CB-CH2 4Å; A116-W159 HydrophobicContact CB-CZ2 3.84Å; A116-R281 HydrophobicContact CB-CG 4.35Å
117	I	98.9	Very high	98.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.8	-44.8	174.4	-69.9	163.6	0	0	0	110.7	A113 E115 D119 R120 I121 V133 W159 W162 L167	A113-I117 HydrophobicContact CB-CD1 4.49Å; A113-I117 WeakPolarHBondContact O-CB 3.24Å; A113-I117 WeakPolarHBondContact O-CD1 3.46Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.07Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.06Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 2.87Å; I117-R120 PolarHBondContact O-N 3.01Å; I117-I121 HydrophobicContact CG2-CD1 3.82Å; I117-I121 HydrophobicContact CG2-CG1 4.31Å; I117-I121 WeakPolarHBondContact O-CG1 3.29Å; I117-I121 PolarHBondContact O-N 3.19Å; I117-V133 HydrophobicContact CG2-CG1 4.49Å; I117-V133 HydrophobicContact CG2-CG2 3.94Å; I117-W159 HydrophobicContact CD1-CE3 4.29Å; I117-W159 HydrophobicContact CD1-CZ3 4.35Å; I117-W159 HydrophobicContact CG1-CE3 3.99Å; I117-W159 HydrophobicContact CG1-CH2 3.71Å; I117-W159 HydrophobicContact CG1-CZ2 4.26Å; I117-W159 HydrophobicContact CG1-CZ3 3.55Å; I117-W162 HydrophobicContact CD1-CB 3.95Å; I117-W162 HydrophobicContact CD1-CD2 3.75Å; I117-W162 HydrophobicContact CD1-CE3 4.05Å; I117-W162 HydrophobicContact CD1-CG 3.73Å; I117-W162 HydrophobicContact CG1-CD2 4.04Å; I117-W162 HydrophobicContact CG1-CE3 4.12Å; I117-W162 HydrophobicContact CG1-CG 4.5Å; I117-W162 HydrophobicContact CG1-CH2 4.45Å; I117-W162 HydrophobicContact CG1-CZ2 4.42Å; I117-W162 HydrophobicContact CG1-CZ3 4.34Å; I117-W162 HydrophobicContact CG2-CD2 4.2Å; I117-W162 HydrophobicContact CG2-CH2 4.41Å; I117-W162 HydrophobicContact CG2-CZ2 3.7Å; I117-L167 HydrophobicContact CD1-CD1 4.18Å
118	S	98.9	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.7	-46.3	178.8	-58.7	0	0	0	0	110.9	V114 E115 R120 I121 C122 V131 V133	V114-S118 WeakPolarHBondContact O-CB 3.31Å; V114-S118 PolarHBondContact O-N 3.42Å; V114-S118 PolarHBondContact O-OG 3.45Å; E115-S118 WeakPolarHBondContact O-CB 3.24Å; E115-S118 PolarHBondContact O-N 2.88Å; S118-R120 PolarHBondContact O-N 3.4Å; S118-I121 PolarHBondContact O-N 2.87Å; S118-C122 PolarHBondContact O-N 3.26Å; S118-V131 VanDerWaalsContact CB-O 3.25Å; S118-V131 WeakPolarHBondContact CB-O 3.43Å; S118-V131 PolarHBondContact OG-O 2.88Å; S118-V133 WeakPolarHBondContact OG-CB 3.16Å; S118-V133 PolarHBondContact OG-N 3.33Å
119	D	98.9	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.4	-48.2	176.3	-64.1	-18	0	0	0	111.8	T95 I96 E115 I117 I121 C122 I123 P248 R281	T95-D119 VanDerWaalsContact CB-OD1 3.25Å; T95-D119 WeakPolarHBondContact CB-OD1 3.32Å; T95-D119 WeakPolarHBondContact OG1-CA 3.37Å; T95-D119 PolarHBondContact OG1-OD1 2.77Å; I96-D119 VanDerWaalsContact CA-OD1 3.24Å; I96-D119 WeakPolarHBondContact CA-OD1 3.41Å; I96-D119 HydrophobicContact CG1-CB 3.94Å; I96-D119 WeakPolarHBondContact CG1-OD1 3.38Å; I96-D119 PolarHBondContact N-OD1 3.3Å; E115-D119 VanDerWaalsContact O-CG 3.25Å; E115-D119 PolarHBondContact O-N 3.03Å; E115-D119 VanDerWaalsContact O-N 3.08Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 2.87Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 3.08Å; D119-C122 PolarHBondContact O-N 2.79Å; D119-C122 VanDerWaalsContact O-N 3.16Å; D119-I123 VanDerWaalsContact O-CG1 3.29Å; D119-I123 WeakPolarHBondContact O-CG1 3.45Å; D119-I123 PolarHBondContact O-N 2.85Å; D119-P248 HydrophobicContact CB-CG 4.16Å; D119-P248 WeakPolarHBondContact OD2-CG 3.29Å; D119-R281 WeakPolarHBondContact OD2-CD 3.34Å; D119-R281 IonicContact OD2-CZ 3.91Å; D119-R281 IonicContact OD2-NE 2.8Å; D119-R281 IonicContact OD2-NH1 3Å; D119-R281 PolarHBondContact OD2-NH1 3.01Å
120	R	98.8	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.5	-35.4	-178.2	-73.5	-178.9	173.7	-116.1	-13.8	112.2	A116 I117 S118 C122 I123 H124 Y230 E242 N246 G247 P248 V249 G328	A116-R120 WeakPolarHBondContact O-CB 3.43Å; A116-R120 WeakPolarHBondContact O-CG 3.36Å; A116-R120 PolarHBondContact O-N 3.17Å; I117-R120 PolarHBondContact O-N 3.01Å; S118-R120 PolarHBondContact O-N 3.4Å; R120-C122 VanDerWaalsContact C-N 3.31Å; R120-C122 PolarHBondContact O-N 3.05Å; R120-I123 PolarHBondContact O-N 3.09Å; R120-H124 VanDerWaalsContact O-CB 3.32Å; R120-H124 WeakPolarHBondContact O-CB 3.27Å; R120-H124 PolarHBondContact O-CD2 2.87Å; R120-H124 PolarHBondContact O-N 3.31Å; R120-Y230 PolarHBondContact NH1-OH 3.26Å; R120-E242 IonicContact CZ-OE1 2.68Å; R120-E242 VanDerWaalsContact CZ-OE1 3.28Å; R120-E242 IonicContact NH1-OE1 3.74Å; R120-E242 PolarHBondContact NH1-OE1 2.91Å; R120-E242 IonicContact NH2-OE1 3.49Å; R120-E242 PolarHBondContact NH2-OE1 3.07Å; R120-N246 WeakPolarHBondContact CG-O 3.04Å; R120-G247 PolarHBondContact NH2-O 2.86Å; R120-P248 PolarHBondContact NE-O 2.82Å; R120-P248 PolarHBondContact NH2-O 2.76Å; R120-V249 VanDerWaalsContact NH2-CG1 3.29Å; R120-G328 WeakPolarHBondContact CD-O 3.09Å; R120-G328 PolarHBondContact NH1-O 2.81Å
121	I	98.5	Very high	97.8	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-47.2	172.7	-70.5	166.5	0	0	0	109.6	I117 S118 D119 T125 V129 V131 V133 H224 P330	I117-I121 HydrophobicContact CG2-CD1 3.82Å; I117-I121 HydrophobicContact CG2-CG1 4.31Å; I117-I121 WeakPolarHBondContact O-CG1 3.29Å; I117-I121 PolarHBondContact O-N 3.19Å; S118-I121 PolarHBondContact O-N 2.87Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 3.08Å; I121-T125 HydrophobicContact CG2-CG2 4.48Å; I121-T125 VanDerWaalsContact O-CB 3.3Å; I121-T125 WeakPolarHBondContact O-CB 3.26Å; I121-T125 WeakPolarHBondContact O-CG2 3.48Å; I121-T125 PolarHBondContact O-N 3.1Å; I121-T125 PolarHBondContact O-OG1 3.21Å; I121-V129 HydrophobicContact CG2-CB 4.21Å; I121-V129 HydrophobicContact CG2-CG1 3.88Å; I121-V131 HydrophobicContact CB-CG1 4.46Å; I121-V131 HydrophobicContact CD1-CG1 3.96Å; I121-V131 HydrophobicContact CG2-CG1 3.92Å; I121-V133 HydrophobicContact CD1-CG2 3.74Å; I121-H224 HydrophobicContact CD1-CB 3.98Å; I121-P330 HydrophobicContact CG1-CB 3.98Å
122	C	98.6	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-47.5	177.2	-178.1	0	0	0	0	112.8	C93 S118 D119 R120 T125 N126 A127 V129	C93-C122 WeakPolarHBondContact CA-SG 3.31Å; C93-C122 HydrophobicContact CB-CB 3.72Å; C93-C122 WeakPolarHBondContact CB-SG 3.45Å; C93-C122 VanDerWaalsContact SG-C 3.55Å; C93-C122 WeakPolarHBondContact SG-CB 3.25Å; C93-C122 CovalentContact SG-SG 2.04Å; C93-C122 PolarHBondContact SG-SG 3Å; S118-C122 PolarHBondContact O-N 3.26Å; D119-C122 PolarHBondContact O-N 2.79Å; D119-C122 VanDerWaalsContact O-N 3.16Å; R120-C122 VanDerWaalsContact C-N 3.31Å; R120-C122 PolarHBondContact O-N 3.05Å; C122-T125 PolarHBondContact O-N 3.34Å; C122-T125 PolarHBondContact O-OG1 2.89Å; C122-N126 PolarHBondContact O-N 3.08Å; C122-A127 WeakPolarHBondContact O-CA 3.27Å; C122-A127 PolarHBondContact O-N 2.81Å; C122-V129 WeakPolarHBondContact CA-O 3.43Å
123	I	98.4	Very high	97.8	Very high	11 Å²	11	27.1 Å²	27.1	6%	0.056	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-50.8	-178.4	-69.1	167.1	0	0	0	111.2	W90 I96 D119 R120 T125 N126	W90-I123 HydrophobicContact CB-CG1 4.23Å; W90-I123 HydrophobicContact CD2-CD1 3.66Å; W90-I123 HydrophobicContact CD2-CG1 3.76Å; W90-I123 HydrophobicContact CD2-CG2 4.44Å; W90-I123 HydrophobicContact CE3-CD1 3.6Å; W90-I123 HydrophobicContact CE3-CG1 4.23Å; W90-I123 HydrophobicContact CG-CD1 4.15Å; W90-I123 HydrophobicContact CG-CG1 3.76Å; W90-I123 HydrophobicContact CH2-CD1 4.38Å; W90-I123 HydrophobicContact CZ2-CD1 4.41Å; W90-I123 HydrophobicContact CZ2-CG2 4.14Å; W90-I123 HydrophobicContact CZ3-CD1 3.98Å; I96-I123 HydrophobicContact CD1-CD1 4.07Å; I96-I123 HydrophobicContact CD1-CG1 4.4Å; D119-I123 VanDerWaalsContact O-CG1 3.29Å; D119-I123 WeakPolarHBondContact O-CG1 3.45Å; D119-I123 PolarHBondContact O-N 2.85Å; R120-I123 PolarHBondContact O-N 3.09Å; I123-T125 VanDerWaalsContact C-N 3.32Å; I123-T125 PolarHBondContact O-N 2.87Å; I123-N126 PolarHBondContact O-N 2.87Å; I123-N126 VanDerWaalsContact O-N 3.07Å
124	H	97.9	Very high	97.8	Very high	24 Å²	24	27.1 Å²	27.1	11%	0.111	15%	0.15	C	C	.	.	H	α-helix	trans	-79.3	-14.5	-173.9	-71.5	-91.4	0	0	0	113.6	R120 N126 N246 P330 T332	R120-H124 VanDerWaalsContact O-CB 3.32Å; R120-H124 WeakPolarHBondContact O-CB 3.27Å; R120-H124 PolarHBondContact O-CD2 2.87Å; R120-H124 PolarHBondContact O-N 3.31Å; H124-N126 VanDerWaalsContact C-N 3.32Å; H124-N246 PolarHBondContact NE2-O 3.12Å; H124-P330 HydrophobicContact CB-CG 3.55Å; H124-T332 HydrophobicContact CB-CG2 4.4Å
125	T	96.3	Very high	97.8	Very high	26 Å²	26	27.2 Å²	27.2	16%	0.16	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.9	167.5	64	0	0	0	0	112.2	I121 C122 I123 A127 H128 V129 T332	I121-T125 HydrophobicContact CG2-CG2 4.48Å; I121-T125 VanDerWaalsContact O-CB 3.3Å; I121-T125 WeakPolarHBondContact O-CB 3.26Å; I121-T125 WeakPolarHBondContact O-CG2 3.48Å; I121-T125 PolarHBondContact O-N 3.1Å; I121-T125 PolarHBondContact O-OG1 3.21Å; C122-T125 PolarHBondContact O-N 3.34Å; C122-T125 PolarHBondContact O-OG1 2.89Å; I123-T125 VanDerWaalsContact C-N 3.32Å; I123-T125 PolarHBondContact O-N 2.87Å; T125-A127 PolarHBondContact O-N 2.87Å; T125-H128 WeakPolarHBondContact O-CB 3.38Å; T125-H128 PolarHBondContact O-N 2.61Å; T125-H128 VanDerWaalsContact O-N 3.13Å; T125-H128 PolarHBondContact O-ND1 2.89Å; T125-V129 HydrophobicContact CG2-CB 4.22Å; T125-V129 HydrophobicContact CG2-CG2 4.35Å; T125-V129 PolarHBondContact OG1-N 3.49Å; T125-V129 PolarHBondContact OG1-O 3.17Å; T125-T332 HydrophobicContact CG2-CG2 3.73Å
126	N	95.6	Very high	97.8	Very high	107 Å²	107	27.2 Å²	27.2	57%	0.572	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	43.9	-174.1	-67.2	-41.9	0	0	0	112.2	C122 I123 H124 H128	C122-N126 PolarHBondContact O-N 3.08Å; I123-N126 PolarHBondContact O-N 2.87Å; I123-N126 VanDerWaalsContact O-N 3.07Å; H124-N126 VanDerWaalsContact C-N 3.32Å; N126-H128 PolarHBondContact O-N 3.45Å; N126-H128 PolarHBondContact O-ND1 2.75Å
127	A	95.4	Very high	97.8	Very high	37 Å²	37	27.2 Å²	27.2	31%	0.306	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	14.2	-179	0	0	0	0	0	116.7	Q92 C122 T125 V129	Q92-A127 HydrophobicContact CB-CB 4.11Å; Q92-A127 HydrophobicContact CG-CB 3.31Å; C122-A127 WeakPolarHBondContact O-CA 3.27Å; C122-A127 PolarHBondContact O-N 2.81Å; T125-A127 PolarHBondContact O-N 2.87Å; A127-V129 PolarHBondContact O-N 3.07Å
128	H	94.6	Very high	97.8	Very high	163 Å²	163	27.2 Å²	27.2	76%	0.755	15%	0.151	S	C	*	.	S	Bend	trans	-68.8	-26.2	171.5	-65.8	81.3	0	0	0	111.9	T125 N126	T125-H128 WeakPolarHBondContact O-CB 3.38Å; T125-H128 PolarHBondContact O-N 2.61Å; T125-H128 VanDerWaalsContact O-N 3.13Å; T125-H128 PolarHBondContact O-ND1 2.89Å; N126-H128 PolarHBondContact O-N 3.45Å; N126-H128 PolarHBondContact O-ND1 2.75Å
129	V	95.3	Very high	97.8	Very high	60 Å²	60	27.4 Å²	27.4	36%	0.364	15%	0.152	S	C	.	.			trans	-130.8	117.3	176	-177.6	0	0	0	0	108.9	I121 C122 T125 A127 V131	I121-V129 HydrophobicContact CG2-CB 4.21Å; I121-V129 HydrophobicContact CG2-CG1 3.88Å; C122-V129 WeakPolarHBondContact CA-O 3.43Å; T125-V129 HydrophobicContact CG2-CB 4.22Å; T125-V129 HydrophobicContact CG2-CG2 4.35Å; T125-V129 PolarHBondContact OG1-N 3.49Å; T125-V129 PolarHBondContact OG1-O 3.17Å; A127-V129 PolarHBondContact O-N 3.07Å; V129-V131 HydrophobicContact CG1-CG1 4.29Å
130	S	97.1	Very high	97.8	Very high	57 Å²	57	28.1 Å²	28.1	40%	0.399	16%	0.156	S	C	.	.			trans	-119.9	122.2	167	-175.6	0	0	0	0	108.1	P94	P94-S130 WeakPolarHBondContact CD-OG 3.43Å
131	V	98	Very high	97.8	Very high	21 Å²	21	29.1 Å²	29.1	13%	0.127	16%	0.163	C	C	.	.			trans	-144.9	135.4	-173.5	61	0	0	0	0	109.4	S118 I121 V129 V133 S169	S118-V131 VanDerWaalsContact CB-O 3.25Å; S118-V131 WeakPolarHBondContact CB-O 3.43Å; S118-V131 PolarHBondContact OG-O 2.88Å; I121-V131 HydrophobicContact CB-CG1 4.46Å; I121-V131 HydrophobicContact CD1-CG1 3.96Å; I121-V131 HydrophobicContact CG2-CG1 3.92Å; V129-V131 HydrophobicContact CG1-CG1 4.29Å; V131-V133 HydrophobicContact CG1-CG2 4.38Å; V131-V133 PolarHBondContact O-N 3.25Å; V131-S169 VanDerWaalsContact CG2-CB 3.4Å
132	E	98.8	Very high	97.8	Very high	48 Å²	48	29.4 Å²	29.4	22%	0.224	17%	0.166	C	C	.	.			trans	-78.1	112.6	168.4	-72.8	170.4	-129.2	0	0	108.4	T95 R100 S169 G170 G171	T95-E132 HydrophobicContact CG2-CG 4.4Å; R100-E132 IonicContact NH2-OE2 2.59Å; E132-S169 CarbonylContact O-C 3.35Å; E132-S169 WeakPolarHBondContact O-CA 3.33Å; E132-G170 PolarHBondContact O-N 2.83Å; E132-G171 WeakPolarHBondContact OE2-CA 3.48Å
133	V	98.9	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-79.6	136.9	178.4	178.7	0	0	0	0	110.2	R100 V114 I117 S118 I121 V131 A135 L167 G170	R100-V133 PolarHBondContact NH1-O 2.82Å; V114-V133 HydrophobicContact CB-CB 4.04Å; V114-V133 HydrophobicContact CB-CG1 4Å; V114-V133 HydrophobicContact CG1-CB 4.49Å; V114-V133 HydrophobicContact CG1-CG1 3.9Å; I117-V133 HydrophobicContact CG2-CG1 4.49Å; I117-V133 HydrophobicContact CG2-CG2 3.94Å; S118-V133 WeakPolarHBondContact OG-CB 3.16Å; S118-V133 PolarHBondContact OG-N 3.33Å; I121-V133 HydrophobicContact CD1-CG2 3.74Å; V131-V133 HydrophobicContact CG1-CG2 4.38Å; V131-V133 PolarHBondContact O-N 3.25Å; V133-A135 PolarHBondContact O-N 3.07Å; V133-L167 HydrophobicContact CG1-CB 3.47Å; V133-L167 VanDerWaalsContact CG1-CB 3.47Å; V133-L167 HydrophobicContact CG1-CD1 3.72Å; V133-L167 HydrophobicContact CG1-CG 4.22Å; V133-G170 CarbonylContact C-O 3.59Å
134	S	98.9	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.			trans	-70.8	107.9	-172.9	-178.6	0	0	0	0	112.3	E136 D137 L138 V168 R180	S134-E136 PolarHBondContact O-N 3.02Å; S134-E136 WeakPolarHBondContact OG-CB 3.34Å; S134-E136 PolarHBondContact OG-N 3.31Å; S134-D137 PolarHBondContact O-N 2.98Å; S134-D137 WeakPolarHBondContact OG-CB 3.45Å; S134-D137 PolarHBondContact OG-N 3.34Å; S134-L138 PolarHBondContact O-N 3.07Å; S134-V168 WeakPolarHBondContact CB-O 3.35Å; S134-V168 PolarHBondContact N-O 2.97Å; S134-R180 WeakPolarHBondContact CB-O 3.34Å; S134-R180 PolarHBondContact OG-O 2.84Å
135	A	98.9	Very high	97.4	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-34.8	165.6	0	0	0	0	0	111	F111 V114 V133 L138 L139 Y182	F111-A135 HydrophobicContact CD2-CB 4.14Å; F111-A135 HydrophobicContact CE1-CB 4.28Å; F111-A135 HydrophobicContact CE2-CB 3.84Å; F111-A135 HydrophobicContact CG-CB 4.49Å; F111-A135 HydrophobicContact CZ-CB 3.92Å; V114-A135 HydrophobicContact CG2-CB 3.79Å; V133-A135 PolarHBondContact O-N 3.07Å; A135-L138 PolarHBondContact O-N 3.46Å; A135-L139 WeakPolarHBondContact O-CB 3.29Å; A135-L139 PolarHBondContact O-N 3.28Å; A135-Y182 HydrophobicContact CB-CD2 4.05Å; A135-Y182 HydrophobicContact CB-CE2 4.26Å
136	E	98.8	Very high	97.5	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-46.9	178.6	175.9	70.1	-156.5	0	0	112.1	S134 T140 R180 Y182 S183	S134-E136 PolarHBondContact O-N 3.02Å; S134-E136 WeakPolarHBondContact OG-CB 3.34Å; S134-E136 PolarHBondContact OG-N 3.31Å; E136-T140 WeakPolarHBondContact O-CB 3.4Å; E136-T140 VanDerWaalsContact O-CG2 3.22Å; E136-T140 WeakPolarHBondContact O-CG2 3.25Å; E136-T140 PolarHBondContact O-N 2.69Å; E136-T140 PolarHBondContact O-OG1 2.7Å; E136-T140 WeakPolarHBondContact OE1-CG2 3.14Å; E136-R180 HydrophobicContact CG-CB 4.3Å; E136-R180 IonicContact OE1-CZ 3.74Å; E136-R180 IonicContact OE1-NH2 3.13Å; E136-R180 PolarHBondContact OE1-NH2 3.4Å; E136-Y182 HydrophobicContact CB-CD2 4.21Å; E136-S183 VanDerWaalsContact CD-OG 3.24Å; E136-S183 PolarHBondContact OE1-OG 2.8Å; E136-S183 WeakPolarHBondContact OE2-CB 3.35Å; E136-S183 PolarHBondContact OE2-N 3.34Å; E136-S183 VanDerWaalsContact OE2-N 3.11Å; E136-S183 PolarHBondContact OE2-OG 3.33Å
137	D	98.9	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-41.7	179.1	-171.8	41.8	0	0	0	111.4	S134 C141 L167 V168 R180 Y219 K223	S134-D137 PolarHBondContact O-N 2.98Å; S134-D137 WeakPolarHBondContact OG-CB 3.45Å; S134-D137 PolarHBondContact OG-N 3.34Å; D137-C141 WeakPolarHBondContact O-CB 3.41Å; D137-C141 PolarHBondContact O-N 2.91Å; D137-L167 HydrophobicContact CB-CD2 4.39Å; D137-V168 HydrophobicContact CB-CG2 3.74Å; D137-V168 PolarHBondContact OD2-N 3.07Å; D137-V168 VanDerWaalsContact OD2-N 3.15Å; D137-R180 IonicContact OD1-NH1 3.2Å; D137-Y219 VanDerWaalsContact OD1-CE2 3.27Å; D137-Y219 WeakPolarHBondContact OD1-CE2 3.48Å; D137-Y219 VanDerWaalsContact OD1-CZ 3.31Å; D137-Y219 PolarHBondContact OD1-OH 2.82Å; D137-Y219 PolarHBondContact OD2-OH 2.77Å; D137-K223 IonicContact OD1-NZ 2.69Å; D137-K223 IonicContact OD2-NZ 3.54Å; D137-K223 PolarHBondContact OD2-NZ 2.7Å
138	L	98.9	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-53.8	176.2	178.3	57.4	0	0	0	111.9	W109 A110 A113 V114 S134 A135 T140 C142 A158 F161 L167	W109-L138 HydrophobicContact CH2-CG 4.42Å; W109-L138 HydrophobicContact CZ3-CD1 4.26Å; W109-L138 HydrophobicContact CZ3-CD2 4.3Å; W109-L138 HydrophobicContact CZ3-CG 3.97Å; A110-L138 HydrophobicContact CB-CB 4.44Å; A110-L138 HydrophobicContact CB-CD2 3.65Å; A110-L138 HydrophobicContact CB-CG 3.96Å; A113-L138 HydrophobicContact CB-CD2 4.14Å; V114-L138 HydrophobicContact CG1-CB 4.2Å; V114-L138 HydrophobicContact CG1-CD2 3.72Å; S134-L138 PolarHBondContact O-N 3.07Å; A135-L138 PolarHBondContact O-N 3.46Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.14Å; L138-C142 HydrophobicContact CD1-CB 4.2Å; L138-C142 VanDerWaalsContact O-CB 3.27Å; L138-C142 WeakPolarHBondContact O-CB 3.29Å; L138-C142 PolarHBondContact O-N 3.2Å; L138-A158 HydrophobicContact CD1-CB 4.04Å; L138-A158 HydrophobicContact CD2-CB 3.61Å; L138-A158 HydrophobicContact CG-CB 4.33Å; L138-F161 HydrophobicContact CD1-CB 4.08Å; L138-F161 HydrophobicContact CD1-CD1 3.69Å; L138-F161 HydrophobicContact CD1-CG 4.17Å; L138-L167 HydrophobicContact CB-CD1 4.26Å; L138-L167 HydrophobicContact CB-CD2 3.58Å; L138-L167 HydrophobicContact CD1-CD2 4.16Å; L138-L167 HydrophobicContact CD2-CD1 4.4Å; L138-L167 HydrophobicContact CG-CD2 4.41Å
139	L	98.8	Very high	97.8	Very high	5 Å²	5	31 Å²	31	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-53.2	-46.9	-178.5	172	60.3	0	0	0	111.4	W109 A135 G149 Y182 I184 T204	W109-L139 HydrophobicContact CZ2-CD1 3.96Å; A135-L139 WeakPolarHBondContact O-CB 3.29Å; A135-L139 PolarHBondContact O-N 3.28Å; L139-G149 VanDerWaalsContact CD1-C 3.5Å; L139-Y182 HydrophobicContact CD2-CE2 3.86Å; L139-I184 HydrophobicContact CD2-CD1 4.25Å; L139-T204 HydrophobicContact CD1-CG2 4.19Å; L139-T204 HydrophobicContact CG-CG2 4.18Å
140	T	98.7	Very high	97.9	Very high	15 Å²	15	28.2 Å²	28.2	9%	0.092	17%	0.171	C	C	.	.	H	α-helix	trans	-90.7	-31.5	-168.9	63.4	0	0	0	0	113	E136 L138 R180 P205 C207	E136-T140 WeakPolarHBondContact O-CB 3.4Å; E136-T140 VanDerWaalsContact O-CG2 3.22Å; E136-T140 WeakPolarHBondContact O-CG2 3.25Å; E136-T140 PolarHBondContact O-N 2.69Å; E136-T140 PolarHBondContact O-OG1 2.7Å; E136-T140 WeakPolarHBondContact OE1-CG2 3.14Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.14Å; T140-R180 PolarHBondContact OG1-NH1 2.95Å; T140-P205 WeakPolarHBondContact CB-O 3.15Å; T140-P205 HydrophobicContact CG2-CB 3.79Å; T140-P205 HydrophobicContact CG2-CG 4.28Å; T140-P205 WeakPolarHBondContact CG2-O 3.36Å; T140-C207 WeakPolarHBondContact O-CB 3.47Å
141	C	98.8	Very high	97.9	Very high	21 Å²	21	29.4 Å²	29.4	14%	0.142	17%	0.173	C	C	.	.	H	α-helix	trans	-105.4	-8.9	-170.3	-62.6	0	0	0	0	115.5	D137 F161 C207	D137-C141 WeakPolarHBondContact O-CB 3.41Å; D137-C141 PolarHBondContact O-N 2.91Å; C141-F161 HydrophobicContact CB-CZ 4.13Å; C141-F161 WeakPolarHBondContact O-CE2 3.37Å; C141-C207 VanDerWaalsContact CA-SG 3.55Å; C141-C207 HydrophobicContact CB-CB 3.98Å; C141-C207 WeakPolarHBondContact CB-SG 3.5Å; C141-C207 VanDerWaalsContact SG-CA 3.54Å; C141-C207 WeakPolarHBondContact SG-CB 3.37Å; C141-C207 CovalentContact SG-SG 2.04Å; C141-C207 PolarHBondContact SG-SG 2.97Å
142	C	98.4	Very high	97.9	Very high	14 Å²	14	28.4 Å²	28.4	10%	0.095	17%	0.167	C	C	.	.	S	Bend	trans	-70.1	-38.3	176	-175.1	0	0	0	0	113	L138 C146 F161	L138-C142 HydrophobicContact CD1-CB 4.2Å; L138-C142 VanDerWaalsContact O-CB 3.27Å; L138-C142 WeakPolarHBondContact O-CB 3.29Å; L138-C142 PolarHBondContact O-N 3.2Å; C142-C146 HydrophobicContact CB-CB 3.66Å; C142-C146 WeakPolarHBondContact CB-SG 3.25Å; C142-C146 WeakPolarHBondContact SG-CB 3.38Å; C142-C146 PolarHBondContact SG-N 3.47Å; C142-C146 VanDerWaalsContact SG-N 3.36Å; C142-C146 CovalentContact SG-SG 2.01Å; C142-C146 PolarHBondContact SG-SG 2.66Å; C142-F161 HydrophobicContact CB-CB 4.33Å; C142-F161 HydrophobicContact CB-CD1 4.42Å; C142-F161 HydrophobicContact CB-CD2 3.88Å; C142-F161 HydrophobicContact CB-CE2 4.26Å; C142-F161 HydrophobicContact CB-CG 3.96Å
143	G	96.9	Very high	97.9	Very high	42 Å²	42	26.1 Å²	26.1	43%	0.433	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	63.5	-149.7	-175.7	0	0	0	0	0	112.6	M145 C146 G147	G143-M145 PolarHBondContact O-N 3.23Å; G143-C146 PolarHBondContact O-N 3.16Å; G143-G147 PolarHBondContact O-N 2.69Å
144	I	94.8	Very high	97.8	Very high	167 Å²	167	29.7 Å²	29.7	86%	0.856	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-57.9	-21.3	-169	77.3	168.3	0	0	0	114.7	C146 G147	I144-C146 PolarHBondContact O-N 3.24Å; I144-G147 PolarHBondContact O-N 3.49Å
145	M	94.5	Very high	97.8	Very high	71 Å²	71	30 Å²	30	35%	0.35	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-62.1	-34.5	177.6	176.9	-176.4	-62.2	0	0	111.5	G143 N160 F161	G143-M145 PolarHBondContact O-N 3.23Å; M145-N160 HydrophobicContact SD-CB 4.43Å; M145-F161 HydrophobicContact SD-CB 4.46Å
146	C	97.7	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-9.5	179.2	-64.9	0	0	0	0	113.2	W109 C142 G143 I144 G153 Y154 G157 A158	W109-C146 HydrophobicContact CE3-CB 4.04Å; W109-C146 HydrophobicContact CH2-CB 3.43Å; W109-C146 VanDerWaalsContact CH2-CB 3.43Å; W109-C146 HydrophobicContact CZ2-CB 4.3Å; W109-C146 HydrophobicContact CZ3-CB 3.28Å; C142-C146 HydrophobicContact CB-CB 3.66Å; C142-C146 WeakPolarHBondContact CB-SG 3.25Å; C142-C146 WeakPolarHBondContact SG-CB 3.38Å; C142-C146 PolarHBondContact SG-N 3.47Å; C142-C146 VanDerWaalsContact SG-N 3.36Å; C142-C146 CovalentContact SG-SG 2.01Å; C142-C146 PolarHBondContact SG-SG 2.66Å; G143-C146 PolarHBondContact O-N 3.16Å; I144-C146 PolarHBondContact O-N 3.24Å; C146-G153 CarbonylContact O-C 3.46Å; C146-G153 WeakPolarHBondContact O-CA 3.25Å; C146-Y154 PolarHBondContact O-N 3.16Å; C146-G157 PolarHBondContact SG-O 2.88Å; C146-G157 VanDerWaalsContact SG-O 3.4Å; C146-A158 PolarHBondContact SG-N 3.21Å
147	G	97.2	Very high	97.8	Very high	19 Å²	19	30.3 Å²	30.3	20%	0.196	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	119.2	-138.3	-177.4	0	0	0	0	0	112.2	G143 I144	G143-G147 PolarHBondContact O-N 2.69Å; I144-G147 PolarHBondContact O-N 3.49Å
148	D	97.4	Very high	97.8	Very high	94 Å²	94	30.3 Å²	30.3	50%	0.503	18%	0.176	S	C	.	.	S	Bend	trans	-120	41.1	-170.6	-165.6	36.8	0	0	0	112.6	C150 N151 G152	D148-C150 PolarHBondContact O-N 3.07Å; D148-N151 HydrophobicContact CB-CB 4.11Å; D148-N151 WeakPolarHBondContact O-CB 3.43Å; D148-N151 PolarHBondContact O-N 3.05Å; D148-N151 WeakPolarHBondContact OD2-CB 3.25Å; D148-N151 PolarHBondContact OD2-ND2 3.18Å; D148-G152 PolarHBondContact N-O 3.39Å
149	G	97.8	Very high	97.7	Very high	9 Å²	9	30.3 Å²	30.3	9%	0.093	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	59.1	-119.7	173.6	0	0	0	0	0	112.8	W109 L139 N151 G152 T204	W109-G149 PolarHBondContact NE1-O 2.96Å; L139-G149 VanDerWaalsContact CD1-C 3.5Å; G149-N151 PolarHBondContact O-N 3.2Å; G149-G152 PolarHBondContact O-N 3.28Å; G149-T204 WeakPolarHBondContact CA-OG1 3.45Å
150	C	97.7	Very high	97.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-69.8	-12.1	178.2	-70.6	0	0	0	0	114.5	R57 C105 G106 D148 G152 T204	R57-C150 PolarHBondContact NH1-O 2.95Å; R57-C150 PolarHBondContact NH2-O 2.82Å; C105-C150 HydrophobicContact CB-CB 3.83Å; C105-C150 WeakPolarHBondContact CB-SG 3.49Å; C105-C150 WeakPolarHBondContact SG-CA 3.37Å; C105-C150 WeakPolarHBondContact SG-CB 3.18Å; C105-C150 CovalentContact SG-SG 2.03Å; C105-C150 PolarHBondContact SG-SG 3Å; G106-C150 WeakPolarHBondContact CA-O 3.34Å; G106-C150 PolarHBondContact N-O 3.46Å; D148-C150 PolarHBondContact O-N 3.07Å; C150-G152 VanDerWaalsContact C-N 3.26Å; C150-T204 PolarHBondContact N-OG1 3.2Å
151	N	97	Very high	97.7	Very high	82 Å²	82	32.7 Å²	32.7	44%	0.439	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-88.8	0.6	174.4	-57	-36.6	0	0	0	112.7	R57 F62 D148 G149	R57-N151 PolarHBondContact NH1-OD1 3.5Å; R57-N151 PolarHBondContact NH2-OD1 2.61Å; F62-N151 WeakPolarHBondContact CZ-O 3.18Å; D148-N151 HydrophobicContact CB-CB 4.11Å; D148-N151 WeakPolarHBondContact O-CB 3.43Å; D148-N151 PolarHBondContact O-N 3.05Å; D148-N151 WeakPolarHBondContact OD2-CB 3.25Å; D148-N151 PolarHBondContact OD2-ND2 3.18Å; G149-N151 PolarHBondContact O-N 3.2Å
152	G	97.9	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.			trans	119.5	164.9	170	0	0	0	0	0	113.6	G60 F62 D148 G149 C150	G60-G152 CarbonylContact O-C 3.54Å; G60-G152 WeakPolarHBondContact O-CA 3.29Å; F62-G152 VanDerWaalsContact CE2-O 3.3Å; F62-G152 WeakPolarHBondContact CE2-O 3.25Å; D148-G152 PolarHBondContact N-O 3.39Å; G149-G152 PolarHBondContact O-N 3.28Å; C150-G152 VanDerWaalsContact C-N 3.26Å
153	G	98.4	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-161.2	-177.9	-172.7	0	0	0	0	0	115.2	G60 F62 C146	G60-G153 PolarHBondContact O-N 3.31Å; F62-G153 PolarHBondContact N-O 2.86Å; C146-G153 CarbonylContact O-C 3.46Å; C146-G153 WeakPolarHBondContact O-CA 3.25Å
154	Y	98.5	Very high	97.7	Very high	75 Å²	75	38.1 Å²	38.1	29%	0.294	19%	0.193	S	C	.	.			trans	-111.2	114.7	-174.4	-57.5	-72.7	0	0	0	109.8	F62 C146 A156 G157 A158	F62-Y154 HydrophobicContact CB-CD1 3.72Å; F62-Y154 HydrophobicContact CB-CE1 3.36Å; F62-Y154 HydrophobicContact CD2-CD1 4.29Å; F62-Y154 HydrophobicContact CD2-CD2 4.39Å; F62-Y154 AromaticContact CD2-CE1 3.85Å; F62-Y154 HydrophobicContact CD2-CE1 3.85Å; F62-Y154 AromaticContact CD2-CE2 3.91Å; F62-Y154 HydrophobicContact CD2-CE2 3.91Å; F62-Y154 AromaticContact CD2-CZ 3.62Å; F62-Y154 HydrophobicContact CG-CE1 4.06Å; C146-Y154 PolarHBondContact O-N 3.16Å; Y154-A156 VanDerWaalsContact C-N 3.25Å; Y154-A156 PolarHBondContact O-N 3.42Å; Y154-G157 WeakPolarHBondContact O-CA 3.46Å; Y154-G157 PolarHBondContact O-N 3.08Å; Y154-A158 PolarHBondContact O-N 2.84Å
155	P	98.6	Very high	97.9	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.032	18%	0.18	C	C	.	.	H	α-helix	trans	-48.3	-45.7	174.8	-34.3	39.1	0	0	0	113	T61 W109 G157 A158 W159 E250 A279 V326	T61-P155 HydrophobicContact CG2-CG 3.84Å; W109-P155 HydrophobicContact CB-CG 4.28Å; P155-G157 VanDerWaalsContact C-N 3.27Å; P155-G157 PolarHBondContact O-N 3.22Å; P155-A158 VanDerWaalsContact O-CB 3.29Å; P155-A158 WeakPolarHBondContact O-CB 3.49Å; P155-A158 PolarHBondContact O-N 2.97Å; P155-W159 PolarHBondContact O-N 3.35Å; P155-E250 HydrophobicContact CB-CG 4.36Å; P155-E250 WeakPolarHBondContact CB-OE2 3.46Å; P155-A279 HydrophobicContact CG-CB 4.07Å; P155-V326 HydrophobicContact CB-CG2 3.88Å
156	A	97.9	Very high	98.1	Very high	11 Å²	11	33 Å²	33	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-37.3	176.7	0	0	0	0	0	114.5	P66 P68 Y154 A158 N160	P66-A156 HydrophobicContact CG-CB 4.34Å; P66-A156 WeakPolarHBondContact O-CB 3.34Å; P68-A156 HydrophobicContact CG-CB 3.79Å; Y154-A156 VanDerWaalsContact C-N 3.25Å; Y154-A156 PolarHBondContact O-N 3.42Å; A156-A158 VanDerWaalsContact C-N 3.31Å; A156-N160 WeakPolarHBondContact O-CB 3.33Å; A156-N160 PolarHBondContact O-N 3.38Å; A156-N160 VanDerWaalsContact O-N 3.09Å
157	G	98.3	Very high	98.1	Very high	5 Å²	5	33 Å²	33	5%	0.052	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-37.9	175.8	0	0	0	0	0	111.5	C146 Y154 P155 N160 F161	C146-G157 PolarHBondContact SG-O 2.88Å; C146-G157 VanDerWaalsContact SG-O 3.4Å; Y154-G157 WeakPolarHBondContact O-CA 3.46Å; Y154-G157 PolarHBondContact O-N 3.08Å; P155-G157 VanDerWaalsContact C-N 3.27Å; P155-G157 PolarHBondContact O-N 3.22Å; G157-N160 WeakPolarHBondContact O-CB 3.25Å; G157-N160 PolarHBondContact O-N 2.99Å; G157-F161 PolarHBondContact O-N 3.47Å
158	A	98.7	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-51.6	178.2	0	0	0	0	0	112.7	W109 A113 L138 C146 Y154 P155 A156 N160 F161 W162	W109-A158 HydrophobicContact CE3-CB 4.05Å; W109-A158 HydrophobicContact CZ3-CB 4.12Å; A113-A158 HydrophobicContact CB-CB 3.68Å; L138-A158 HydrophobicContact CD1-CB 4.04Å; L138-A158 HydrophobicContact CD2-CB 3.61Å; L138-A158 HydrophobicContact CG-CB 4.33Å; C146-A158 PolarHBondContact SG-N 3.21Å; Y154-A158 PolarHBondContact O-N 2.84Å; P155-A158 VanDerWaalsContact O-CB 3.29Å; P155-A158 WeakPolarHBondContact O-CB 3.49Å; P155-A158 PolarHBondContact O-N 2.97Å; A156-A158 VanDerWaalsContact C-N 3.31Å; A158-N160 VanDerWaalsContact C-N 3.26Å; A158-N160 PolarHBondContact O-N 3.4Å; A158-F161 WeakPolarHBondContact O-CB 3.4Å; A158-F161 PolarHBondContact O-N 3.21Å; A158-F161 VanDerWaalsContact O-N 3.12Å; A158-W162 PolarHBondContact O-N 3.27Å
159	W	98.8	Very high	98.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.5	-34.3	176.4	-68.5	84.8	0	0	0	112	A116 I117 P155 W162 T163 E250 A327 G328	A116-W159 HydrophobicContact CB-CH2 4Å; A116-W159 HydrophobicContact CB-CZ2 3.84Å; I117-W159 HydrophobicContact CD1-CE3 4.29Å; I117-W159 HydrophobicContact CD1-CZ3 4.35Å; I117-W159 HydrophobicContact CG1-CE3 3.99Å; I117-W159 HydrophobicContact CG1-CH2 3.71Å; I117-W159 HydrophobicContact CG1-CZ2 4.26Å; I117-W159 HydrophobicContact CG1-CZ3 3.55Å; P155-W159 PolarHBondContact O-N 3.35Å; W159-W162 AromaticContact CE3-CE3 3.7Å; W159-W162 HydrophobicContact CE3-CE3 3.7Å; W159-W162 AromaticContact CE3-CZ3 3.65Å; W159-W162 HydrophobicContact CE3-CZ3 3.65Å; W159-W162 HydrophobicContact CZ3-CE3 4.1Å; W159-W162 HydrophobicContact CZ3-CH2 4.36Å; W159-W162 AromaticContact CZ3-CZ3 3.68Å; W159-W162 HydrophobicContact CZ3-CZ3 3.68Å; W159-W162 PolarHBondContact O-N 2.89Å; W159-T163 WeakPolarHBondContact O-CG2 3.05Å; W159-T163 PolarHBondContact O-N 3.36Å; W159-T163 VanDerWaalsContact O-N 3.1Å; W159-T163 PolarHBondContact O-OG1 3.29Å; W159-E250 VanDerWaalsContact CD1-OE2 3.25Å; W159-E250 HydrophobicContact CZ2-CB 4.13Å; W159-E250 PolarHBondContact NE1-OE2 3.45Å; W159-A327 VanDerWaalsContact CE3-C 3.45Å; W159-G328 VanDerWaalsContact CE3-N 3.35Å
160	N	98.3	Very high	98.3	Very high	55 Å²	55	27.3 Å²	27.3	29%	0.294	13%	0.126	S	C	.	.	H	α-helix	trans	-64.8	-41.7	173.1	-164.3	-95	0	0	0	111.9	M145 A156 G157 A158 W162 T163 R164	M145-N160 HydrophobicContact SD-CB 4.43Å; A156-N160 WeakPolarHBondContact O-CB 3.33Å; A156-N160 PolarHBondContact O-N 3.38Å; A156-N160 VanDerWaalsContact O-N 3.09Å; G157-N160 WeakPolarHBondContact O-CB 3.25Å; G157-N160 PolarHBondContact O-N 2.99Å; A158-N160 VanDerWaalsContact C-N 3.26Å; A158-N160 PolarHBondContact O-N 3.4Å; N160-W162 PolarHBondContact O-N 3.17Å; N160-T163 PolarHBondContact O-N 2.97Å; N160-T163 PolarHBondContact O-OG1 3.11Å; N160-R164 WeakPolarHBondContact O-CB 3.25Å; N160-R164 VanDerWaalsContact O-CG 3.32Å; N160-R164 WeakPolarHBondContact O-CG 3.19Å; N160-R164 PolarHBondContact O-N 3.03Å; N160-R164 WeakPolarHBondContact OD1-CD 3.5Å
161	F	98.6	Very high	98.3	Very high	15 Å²	15	27.4 Å²	27.4	7%	0.066	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-43.7	176.2	-176.1	-98.1	0	0	0	111.7	L138 C141 C142 M145 G157 A158 T163 R164 K165 G166 L167	L138-F161 HydrophobicContact CD1-CB 4.08Å; L138-F161 HydrophobicContact CD1-CD1 3.69Å; L138-F161 HydrophobicContact CD1-CG 4.17Å; C141-F161 HydrophobicContact CB-CZ 4.13Å; C141-F161 WeakPolarHBondContact O-CE2 3.37Å; C142-F161 HydrophobicContact CB-CB 4.33Å; C142-F161 HydrophobicContact CB-CD1 4.42Å; C142-F161 HydrophobicContact CB-CD2 3.88Å; C142-F161 HydrophobicContact CB-CE2 4.26Å; C142-F161 HydrophobicContact CB-CG 3.96Å; M145-F161 HydrophobicContact SD-CB 4.46Å; G157-F161 PolarHBondContact O-N 3.47Å; A158-F161 WeakPolarHBondContact O-CB 3.4Å; A158-F161 PolarHBondContact O-N 3.21Å; A158-F161 VanDerWaalsContact O-N 3.12Å; F161-T163 VanDerWaalsContact C-N 3.33Å; F161-T163 PolarHBondContact O-N 3.14Å; F161-R164 PolarHBondContact O-N 3.13Å; F161-K165 HydrophobicContact CD1-CB 4.49Å; F161-K165 HydrophobicContact CD2-CB 4.04Å; F161-K165 HydrophobicContact CD2-CG 3.96Å; F161-K165 HydrophobicContact CE1-CB 4.17Å; F161-K165 HydrophobicContact CE2-CB 3.68Å; F161-K165 HydrophobicContact CE2-CG 3.67Å; F161-K165 HydrophobicContact CG-CB 4.44Å; F161-K165 HydrophobicContact CZ-CB 3.76Å; F161-K165 HydrophobicContact CZ-CG 4.25Å; F161-K165 PolarHBondContact O-N 2.71Å; F161-G166 PolarHBondContact O-N 3.34Å; F161-L167 HydrophobicContact CD1-CD2 3.76Å; F161-L167 HydrophobicContact CD1-CG 4.4Å; F161-L167 HydrophobicContact CE1-CD2 3.67Å
162	W	98.8	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-42.4	175.5	173.6	57.8	0	0	0	112.8	I117 A158 W159 N160 G166 L167 H224 G226 P330	I117-W162 HydrophobicContact CD1-CB 3.95Å; I117-W162 HydrophobicContact CD1-CD2 3.75Å; I117-W162 HydrophobicContact CD1-CE3 4.05Å; I117-W162 HydrophobicContact CD1-CG 3.73Å; I117-W162 HydrophobicContact CG1-CD2 4.04Å; I117-W162 HydrophobicContact CG1-CE3 4.12Å; I117-W162 HydrophobicContact CG1-CG 4.5Å; I117-W162 HydrophobicContact CG1-CH2 4.45Å; I117-W162 HydrophobicContact CG1-CZ2 4.42Å; I117-W162 HydrophobicContact CG1-CZ3 4.34Å; I117-W162 HydrophobicContact CG2-CD2 4.2Å; I117-W162 HydrophobicContact CG2-CH2 4.41Å; I117-W162 HydrophobicContact CG2-CZ2 3.7Å; A158-W162 PolarHBondContact O-N 3.27Å; W159-W162 AromaticContact CE3-CE3 3.7Å; W159-W162 HydrophobicContact CE3-CE3 3.7Å; W159-W162 AromaticContact CE3-CZ3 3.65Å; W159-W162 HydrophobicContact CE3-CZ3 3.65Å; W159-W162 HydrophobicContact CZ3-CE3 4.1Å; W159-W162 HydrophobicContact CZ3-CH2 4.36Å; W159-W162 AromaticContact CZ3-CZ3 3.68Å; W159-W162 HydrophobicContact CZ3-CZ3 3.68Å; W159-W162 PolarHBondContact O-N 2.89Å; N160-W162 PolarHBondContact O-N 3.17Å; W162-G166 WeakPolarHBondContact O-CA 3.3Å; W162-G166 PolarHBondContact O-N 2.77Å; W162-L167 HydrophobicContact CB-CD1 4.01Å; W162-L167 HydrophobicContact CB-CG 4.41Å; W162-L167 HydrophobicContact CG-CD1 4.32Å; W162-H224 PolarHBondContact NE1-O 2.79Å; W162-G226 VanDerWaalsContact CD2-CA 3.41Å; W162-G226 VanDerWaalsContact CE3-CA 3.47Å; W162-G226 VanDerWaalsContact CH2-CA 3.47Å; W162-G226 VanDerWaalsContact CZ3-CA 3.49Å; W162-G226 PolarHBondContact O-N 3.1Å; W162-P330 VanDerWaalsContact CH2-CA 3.47Å; W162-P330 HydrophobicContact CH2-CB 4.01Å; W162-P330 HydrophobicContact CZ2-CB 3.81Å
163	T	98	Very high	98.4	Very high	29 Å²	29	31.8 Å²	31.8	18%	0.178	14%	0.143	C	C	.	.	H	α-helix	trans	-69.2	-38.3	176.5	58.4	0	0	0	0	112.8	W159 N160 F161	W159-T163 WeakPolarHBondContact O-CG2 3.05Å; W159-T163 PolarHBondContact O-N 3.36Å; W159-T163 VanDerWaalsContact O-N 3.1Å; W159-T163 PolarHBondContact O-OG1 3.29Å; N160-T163 PolarHBondContact O-N 2.97Å; N160-T163 PolarHBondContact O-OG1 3.11Å; F161-T163 VanDerWaalsContact C-N 3.33Å; F161-T163 PolarHBondContact O-N 3.14Å
164	R	97.4	Very high	98.2	Very high	162 Å²	162	37.1 Å²	37.1	61%	0.611	17%	0.172	S	C	*	.	H	α-helix	trans	-87.1	-33.4	-173.2	-64.7	-173.8	82.9	-171.9	9.2	114.7	N160 F161	N160-R164 WeakPolarHBondContact O-CB 3.25Å; N160-R164 VanDerWaalsContact O-CG 3.32Å; N160-R164 WeakPolarHBondContact O-CG 3.19Å; N160-R164 PolarHBondContact O-N 3.03Å; N160-R164 WeakPolarHBondContact OD1-CD 3.5Å; F161-R164 PolarHBondContact O-N 3.13Å
165	K	98.1	Very high	98.2	Very high	130 Å²	130	35.5 Å²	35.5	57%	0.565	17%	0.172	S	C	*	.	H	α-helix	trans	-125.6	-16.8	-171.5	-62	-61.2	-178.7	-172.7	0	113.4	F161 Y225	F161-K165 HydrophobicContact CD1-CB 4.49Å; F161-K165 HydrophobicContact CD2-CB 4.04Å; F161-K165 HydrophobicContact CD2-CG 3.96Å; F161-K165 HydrophobicContact CE1-CB 4.17Å; F161-K165 HydrophobicContact CE2-CB 3.68Å; F161-K165 HydrophobicContact CE2-CG 3.67Å; F161-K165 HydrophobicContact CG-CB 4.44Å; F161-K165 HydrophobicContact CZ-CB 3.76Å; F161-K165 HydrophobicContact CZ-CG 4.25Å; F161-K165 PolarHBondContact O-N 2.71Å; K165-Y225 VanDerWaalsContact C-CE1 3.41Å; K165-Y225 WeakPolarHBondContact O-CE1 3.33Å
166	G	98.3	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.			trans	68.6	169.2	-174.6	0	0	0	0	0	112.4	F161 W162 K223 H224	F161-G166 PolarHBondContact O-N 3.34Å; W162-G166 WeakPolarHBondContact O-CA 3.3Å; W162-G166 PolarHBondContact O-N 2.77Å; G166-K223 VanDerWaalsContact C-CD 3.49Å; G166-K223 PolarHBondContact O-NZ 3.12Å; G166-H224 CarbonylContact C-O 3.58Å; G166-H224 WeakPolarHBondContact CA-O 3.27Å
167	L	98.9	Very high	98.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-130	140.9	178.7	-69	169.7	0	0	0	109.6	V114 I117 V133 D137 L138 F161 W162 H224	V114-L167 HydrophobicContact CG1-CD1 3.92Å; I117-L167 HydrophobicContact CD1-CD1 4.18Å; V133-L167 HydrophobicContact CG1-CB 3.47Å; V133-L167 VanDerWaalsContact CG1-CB 3.47Å; V133-L167 HydrophobicContact CG1-CD1 3.72Å; V133-L167 HydrophobicContact CG1-CG 4.22Å; D137-L167 HydrophobicContact CB-CD2 4.39Å; L138-L167 HydrophobicContact CB-CD1 4.26Å; L138-L167 HydrophobicContact CB-CD2 3.58Å; L138-L167 HydrophobicContact CD1-CD2 4.16Å; L138-L167 HydrophobicContact CD2-CD1 4.4Å; L138-L167 HydrophobicContact CG-CD2 4.41Å; F161-L167 HydrophobicContact CD1-CD2 3.76Å; F161-L167 HydrophobicContact CD1-CG 4.4Å; F161-L167 HydrophobicContact CE1-CD2 3.67Å; W162-L167 HydrophobicContact CB-CD1 4.01Å; W162-L167 HydrophobicContact CB-CG 4.41Å; W162-L167 HydrophobicContact CG-CD1 4.32Å; L167-H224 PolarHBondContact N-O 3.38Å; L167-H224 PolarHBondContact O-N 2.91Å
168	V	98.9	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.			trans	-81	167.9	173.6	-59.2	0	0	0	0	110.7	S134 D137 C179 R180 Y219 D222 K223	S134-V168 WeakPolarHBondContact CB-O 3.35Å; S134-V168 PolarHBondContact N-O 2.97Å; D137-V168 HydrophobicContact CB-CG2 3.74Å; D137-V168 PolarHBondContact OD2-N 3.07Å; D137-V168 VanDerWaalsContact OD2-N 3.15Å; V168-C179 HydrophobicContact CB-CB 3.85Å; V168-C179 HydrophobicContact CG2-CB 3.91Å; V168-R180 HydrophobicContact CG2-CB 4.13Å; V168-R180 HydrophobicContact CG2-CG 4.05Å; V168-Y219 HydrophobicContact CG1-CD2 3.64Å; V168-Y219 HydrophobicContact CG1-CE2 3.68Å; V168-Y219 HydrophobicContact CG1-CG 4.11Å; V168-Y219 WeakPolarHBondContact CG1-O 3.26Å; V168-Y219 HydrophobicContact CG2-CD2 4.22Å; V168-Y219 HydrophobicContact CG2-CE2 4.01Å; V168-D222 WeakPolarHBondContact CA-O 3.38Å; V168-D222 HydrophobicContact CB-CB 4.27Å; V168-D222 WeakPolarHBondContact CB-OD2 3.39Å; V168-D222 HydrophobicContact CG1-CB 4.17Å; V168-K223 HydrophobicContact CG1-CD 3.7Å; V168-K223 HydrophobicContact CG1-CG 4.02Å
169	S	98.9	Very high	98.2	Very high	3 Å²	3	44 Å²	44	2%	0.021	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-68.3	153.8	168.7	65.6	0	0	0	0	111.8	V131 E132 G178 C179 R180 Y215 D222	V131-S169 VanDerWaalsContact CG2-CB 3.4Å; E132-S169 CarbonylContact O-C 3.35Å; E132-S169 WeakPolarHBondContact O-CA 3.33Å; S169-G178 WeakPolarHBondContact OG-CA 3.35Å; S169-C179 WeakPolarHBondContact O-CA 3.33Å; S169-C179 WeakPolarHBondContact O-CB 3.18Å; S169-C179 PolarHBondContact O-N 3.4Å; S169-C179 PolarHBondContact OG-N 2.87Å; S169-R180 PolarHBondContact O-N 2.93Å; S169-Y215 PolarHBondContact OG-OH 3.11Å; S169-D222 VanDerWaalsContact CB-OD2 3.29Å; S169-D222 WeakPolarHBondContact CB-OD2 3.48Å; S169-D222 PolarHBondContact N-OD2 2.88Å; S169-D222 PolarHBondContact OG-OD2 3.26Å
170	G	98.7	Very high	98.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.			trans	172.6	118.3	-178.8	0	0	0	0	0	112	E132 V133 V177 R180	E132-G170 PolarHBondContact O-N 2.83Å; V133-G170 CarbonylContact C-O 3.59Å; G170-V177 CarbonylContact C-O 3.56Å; G170-V177 WeakPolarHBondContact CA-O 3.37Å; G170-R180 WeakPolarHBondContact CA-O 3.34Å
171	G	98.3	Very high	98.2	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.031	21%	0.206	C	C	.	.			trans	-92.1	-157.5	-178.8	0	0	0	0	0	114.7	E132 V177 P181 Y182	E132-G171 WeakPolarHBondContact OE2-CA 3.48Å; G171-V177 PolarHBondContact N-O 3.35Å; G171-P181 WeakPolarHBondContact O-CA 3.42Å; G171-Y182 PolarHBondContact O-N 2.83Å
172	L	98.2	Very high	98.2	Very high	69 Å²	69	42.5 Å²	42.5	36%	0.361	21%	0.205	S	C	.	.	S	Bend	trans	-62.4	163.8	179.6	-55.7	178.8	0	0	0	112.4	R100 D174 S175	R100-L172 HydrophobicContact CB-CD2 3.94Å; R100-L172 HydrophobicContact CG-CD2 3.79Å; L172-D174 PolarHBondContact O-N 2.97Å; L172-S175 PolarHBondContact N-OG 3Å; L172-S175 VanDerWaalsContact O-CB 3.25Å; L172-S175 WeakPolarHBondContact O-CB 3.44Å; L172-S175 PolarHBondContact O-N 2.93Å; L172-S175 PolarHBondContact O-OG 3.36Å
173	Y	97.1	Very high	98.1	Very high	105 Å²	105	45.3 Å²	45.3	41%	0.412	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	132.4	172.3	175.9	-97	0	0	0	112.1	S175 Y182 S183 P185	Y173-S175 PolarHBondContact O-N 2.87Å; Y173-Y182 VanDerWaalsContact CA-O 3.27Å; Y173-Y182 WeakPolarHBondContact CA-O 3.28Å; Y173-Y182 WeakPolarHBondContact CD2-O 3.42Å; Y173-S183 WeakPolarHBondContact CE2-O 3.11Å; Y173-P185 HydrophobicContact CD1-CB 4.3Å; Y173-P185 HydrophobicContact CD2-CB 4.26Å; Y173-P185 HydrophobicContact CE1-CB 3.95Å; Y173-P185 HydrophobicContact CE2-CB 3.91Å; Y173-P185 HydrophobicContact CG-CB 4.45Å
174	D	95.9	Very high	98	Very high	112 Å²	112	45.1 Å²	45.1	60%	0.599	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	19.9	178.9	-153	37.3	0	0	0	114.8	L172 H176	L172-D174 PolarHBondContact O-N 2.97Å; D174-H176 IonicContact OD1-CE1 3.34Å; D174-H176 IonicContact OD1-NE2 3.96Å
175	S	97.7	Very high	97.8	Very high	42 Å²	42	39.8 Å²	39.8	29%	0.294	21%	0.208	S	C	.	.			trans	-78.8	-22.4	178.7	63.9	0	0	0	0	113.5	L172 Y173 V177	L172-S175 PolarHBondContact N-OG 3Å; L172-S175 VanDerWaalsContact O-CB 3.25Å; L172-S175 WeakPolarHBondContact O-CB 3.44Å; L172-S175 PolarHBondContact O-N 2.93Å; L172-S175 PolarHBondContact O-OG 3.36Å; Y173-S175 PolarHBondContact O-N 2.87Å; S175-V177 PolarHBondContact O-N 3.04Å; S175-V177 PolarHBondContact OG-N 3.47Å
176	H	97.8	Very high	97.5	Very high	129 Å²	129	35 Å²	35	60%	0.597	19%	0.19	S	C	*	.			trans	53.7	26.6	-167.7	-52	-58.4	0	0	0	113.6	D174 E212	D174-H176 IonicContact OD1-CE1 3.34Å; D174-H176 IonicContact OD1-NE2 3.96Å; H176-E212 IonicContact ND1-OE2 2.93Å; H176-E212 PolarHBondContact ND1-OE2 3.5Å
177	V	98.3	Very high	96.7	Very high	61 Å²	61	35.1 Å²	35.1	37%	0.37	19%	0.191	S	C	.	.			trans	-97.3	121.1	178.2	176.6	0	0	0	0	110.5	G170 G171 S175 P181	G170-V177 CarbonylContact C-O 3.56Å; G170-V177 WeakPolarHBondContact CA-O 3.37Å; G171-V177 PolarHBondContact N-O 3.35Å; S175-V177 PolarHBondContact O-N 3.04Å; S175-V177 PolarHBondContact OG-N 3.47Å; V177-P181 WeakPolarHBondContact O-CG 3.15Å
178	G	98.3	Very high	95.7	Very high	10 Å²	10	36.7 Å²	36.7	10%	0.103	20%	0.199	C	C	.	.	S	Bend	trans	84.3	-174.8	176	0	0	0	0	0	114.4	S169 Y215	S169-G178 WeakPolarHBondContact OG-CA 3.35Å; G178-Y215 VanDerWaalsContact C-CD2 3.46Å; G178-Y215 VanDerWaalsContact C-CE2 3.41Å; G178-Y215 VanDerWaalsContact CA-CE2 3.45Å; G178-Y215 WeakPolarHBondContact O-CD2 3.41Å
179	C	98.8	Very high	94.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-69.6	-47.1	-176.2	173.4	0	0	0	0	112.5	V168 S169 C211 E212 Y215 D222	V168-C179 HydrophobicContact CB-CB 3.85Å; V168-C179 HydrophobicContact CG2-CB 3.91Å; S169-C179 WeakPolarHBondContact O-CA 3.33Å; S169-C179 WeakPolarHBondContact O-CB 3.18Å; S169-C179 PolarHBondContact O-N 3.4Å; S169-C179 PolarHBondContact OG-N 2.87Å; C179-C211 HydrophobicContact CB-CB 3.81Å; C179-C211 WeakPolarHBondContact CB-SG 3.37Å; C179-C211 CarbonylContact O-C 3.47Å; C179-C211 WeakPolarHBondContact O-CA 3.34Å; C179-C211 WeakPolarHBondContact O-CB 3.26Å; C179-C211 WeakPolarHBondContact SG-CA 3.23Å; C179-C211 WeakPolarHBondContact SG-CB 3.49Å; C179-C211 CovalentContact SG-SG 2.03Å; C179-C211 PolarHBondContact SG-SG 2.94Å; C179-E212 PolarHBondContact O-N 2.94Å; C179-Y215 HydrophobicContact CB-CD1 3.94Å; C179-Y215 HydrophobicContact CB-CE1 3.71Å; C179-D222 HydrophobicContact CB-CB 4.31Å; C179-D222 WeakPolarHBondContact CB-OD2 3.22Å
180	R	98.6	Very high	93	Very high	22 Å²	22	37.9 Å²	37.9	8%	0.083	20%	0.204	C	C	.	.	S	Bend	trans	-134.2	82.5	-179	-64.8	-165.3	71.4	-150.2	-7.9	111	S134 E136 D137 T140 V168 S169 G170 S208	S134-R180 WeakPolarHBondContact CB-O 3.34Å; S134-R180 PolarHBondContact OG-O 2.84Å; E136-R180 HydrophobicContact CG-CB 4.3Å; E136-R180 IonicContact OE1-CZ 3.74Å; E136-R180 IonicContact OE1-NH2 3.13Å; E136-R180 PolarHBondContact OE1-NH2 3.4Å; D137-R180 IonicContact OD1-NH1 3.2Å; T140-R180 PolarHBondContact OG1-NH1 2.95Å; V168-R180 HydrophobicContact CG2-CB 4.13Å; V168-R180 HydrophobicContact CG2-CG 4.05Å; S169-R180 PolarHBondContact O-N 2.93Å; G170-R180 WeakPolarHBondContact CA-O 3.34Å; R180-S208 VanDerWaalsContact CD-O 3.27Å; R180-S208 WeakPolarHBondContact CD-O 3.44Å; R180-S208 PolarHBondContact NE-O 3.41Å; R180-S208 PolarHBondContact NH1-O 2.91Å
181	P	98.6	Very high	91.4	Very high	6 Å²	6	42 Å²	42	4%	0.039	23%	0.229	C	C	.	.			trans	-54.7	157.9	167.9	-18.6	29.6	0	0	0	111.8	G171 V177 S183 E212	G171-P181 WeakPolarHBondContact O-CA 3.42Å; V177-P181 WeakPolarHBondContact O-CG 3.15Å; P181-S183 PolarHBondContact O-N 3.19Å; P181-E212 HydrophobicContact CG-CG 4.46Å
182	Y	98.5	Very high	89.6	Confident	10 Å²	10	49.7 Å²	49.7	4%	0.039	27%	0.269	C	S	.	.			trans	-63.9	131.1	179.7	-159.6	-122.2	0	0	0	111.7	Q102 S107 F111 A135 E136 L139 G171 Y173 I184	Q102-Y182 PolarHBondContact O-OH 3.43Å; S107-Y182 PolarHBondContact OG-OH 2.99Å; F111-Y182 HydrophobicContact CE2-CD2 4.32Å; F111-Y182 HydrophobicContact CE2-CE1 4.1Å; F111-Y182 AromaticContact CE2-CE2 3.65Å; F111-Y182 HydrophobicContact CE2-CE2 3.65Å; F111-Y182 AromaticContact CE2-CZ 3.54Å; F111-Y182 AromaticContact CZ-CD1 3.99Å; F111-Y182 HydrophobicContact CZ-CD1 3.99Å; F111-Y182 HydrophobicContact CZ-CD2 4Å; F111-Y182 AromaticContact CZ-CE1 3.7Å; F111-Y182 HydrophobicContact CZ-CE1 3.7Å; F111-Y182 AromaticContact CZ-CE2 3.74Å; F111-Y182 HydrophobicContact CZ-CE2 3.74Å; F111-Y182 HydrophobicContact CZ-CG 4.13Å; F111-Y182 AromaticContact CZ-CZ 3.59Å; A135-Y182 HydrophobicContact CB-CD2 4.05Å; A135-Y182 HydrophobicContact CB-CE2 4.26Å; E136-Y182 HydrophobicContact CB-CD2 4.21Å; L139-Y182 HydrophobicContact CD2-CE2 3.86Å; G171-Y182 PolarHBondContact O-N 2.83Å; Y173-Y182 VanDerWaalsContact CA-O 3.27Å; Y173-Y182 WeakPolarHBondContact CA-O 3.28Å; Y173-Y182 WeakPolarHBondContact CD2-O 3.42Å; Y182-I184 HydrophobicContact CD1-CB 4.14Å; Y182-I184 VanDerWaalsContact CD1-O 3.26Å; Y182-I184 WeakPolarHBondContact CD1-O 3.49Å; Y182-I184 HydrophobicContact CE1-CB 3.56Å; Y182-I184 HydrophobicContact CE1-CG1 4.26Å; Y182-I184 HydrophobicContact CE1-CG2 4.41Å
183	S	97.1	Very high	88	Confident	58 Å²	58	48.8 Å²	48.8	41%	0.406	28%	0.277	S	S	.	.			trans	-92.7	-15.2	-174.1	65.4	0	0	0	0	114.3	E136 Y173 P181 P205	E136-S183 VanDerWaalsContact CD-OG 3.24Å; E136-S183 PolarHBondContact OE1-OG 2.8Å; E136-S183 WeakPolarHBondContact OE2-CB 3.35Å; E136-S183 PolarHBondContact OE2-N 3.34Å; E136-S183 VanDerWaalsContact OE2-N 3.11Å; E136-S183 PolarHBondContact OE2-OG 3.33Å; Y173-S183 WeakPolarHBondContact CE2-O 3.11Å; P181-S183 PolarHBondContact O-N 3.19Å; S183-P205 WeakPolarHBondContact OG-CG 3.27Å
184	I	95.8	Very high	86.7	Confident	26 Å²	26	49.9 Å²	49.9	13%	0.133	30%	0.3	C	S	.	.	S	Bend	trans	-90.8	123.9	-177.3	-54	-179.6	0	0	0	108.4	C105 L139 Y182 P205	C105-I184 HydrophobicContact CB-CD1 3.55Å; L139-I184 HydrophobicContact CD2-CD1 4.25Å; Y182-I184 HydrophobicContact CD1-CB 4.14Å; Y182-I184 VanDerWaalsContact CD1-O 3.26Å; Y182-I184 WeakPolarHBondContact CD1-O 3.49Å; Y182-I184 HydrophobicContact CE1-CB 3.56Å; Y182-I184 HydrophobicContact CE1-CG1 4.26Å; Y182-I184 HydrophobicContact CE1-CG2 4.41Å; I184-P205 HydrophobicContact CD1-CG 4.05Å; I184-P205 HydrophobicContact CG1-CG 4.01Å
185	P	93.1	Very high	85.8	Confident	49 Å²	49	48.1 Å²	48.1	32%	0.318	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-69.2	145.6	-176.7	27.5	-34.2	0	0	0	111.8	Y173 P196	Y173-P185 HydrophobicContact CD1-CB 4.3Å; Y173-P185 HydrophobicContact CD2-CB 4.26Å; Y173-P185 HydrophobicContact CE1-CB 3.95Å; Y173-P185 HydrophobicContact CE2-CB 3.91Å; Y173-P185 HydrophobicContact CG-CB 4.45Å; P185-P196 HydrophobicContact CB-CG 4.46Å
186	P	90.9	Very high	84.8	Confident	29 Å²	29	49.3 Å²	49.3	19%	0.188	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-49.4	146.4	156.6	-29.9	38.6	0	0	0	110.8	D101 P196	D101-P186 HydrophobicContact CB-CG 4.34Å; D101-P186 WeakPolarHBondContact OD2-CA 3.24Å; D101-P186 WeakPolarHBondContact OD2-CB 3.5Å; P186-P196 WeakPolarHBondContact O-CD 3.24Å; P186-P196 WeakPolarHBondContact O-CG 3.41Å
187	C	83.4	Confident	83.9	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.02	30%	0.297	C	S	.	.			trans	-121	156.1	175.8	70.5	0	0	0	0	111	Y54 H189 P196 C198	Y54-C187 WeakPolarHBondContact CE2-SG 3.5Å; Y54-C187 PolarHBondContact OH-SG 2.76Å; C187-H189 PolarHBondContact O-CD2 3.17Å; C187-H189 PolarHBondContact O-N 2.82Å; C187-P196 CarbonylContact C-O 3.47Å; C187-P196 VanDerWaalsContact CA-O 3.31Å; C187-P196 WeakPolarHBondContact CA-O 3.38Å; C187-P196 WeakPolarHBondContact CB-O 3.14Å; C187-C198 HydrophobicContact CB-CB 3.86Å; C187-C198 WeakPolarHBondContact CB-SG 3.12Å; C187-C198 WeakPolarHBondContact SG-CA 3.4Å; C187-C198 WeakPolarHBondContact SG-CB 3.17Å; C187-C198 CovalentContact SG-SG 2.04Å; C187-C198 PolarHBondContact SG-SG 2.72Å
188	E	77.3	Confident	83	Confident	34 Å²	34	46 Å²	46	16%	0.159	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-81.8	113.6	-179.1	-166.9	58.3	-106.8	0	0	109.9	H190 V191 G193 R195 P196 C198	E188-H190 PolarHBondContact OE1-N 3.24Å; E188-V191 VanDerWaalsContact CD-O 3.31Å; E188-V191 WeakPolarHBondContact CG-O 3.36Å; E188-G193 WeakPolarHBondContact OE2-CA 3.39Å; E188-R195 HydrophobicContact CB-CB 3.79Å; E188-R195 WeakPolarHBondContact CB-O 3.29Å; E188-P196 PolarHBondContact N-O 2.8Å; E188-C198 VanDerWaalsContact C-SG 3.52Å; E188-C198 PolarHBondContact O-SG 3.38Å
189	H	74.6	Confident	82	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.301	C	S	.	.			trans	-122.1	-3	171.7	49.8	89.5	0	0	0	113.5	N46 F47 Y48 V50 Y54 C187 D303	N46-H189 VanDerWaalsContact O-O 3.05Å; F47-H189 CarbonylContact C-O 3.37Å; F47-H189 VanDerWaalsContact CA-O 3.27Å; F47-H189 WeakPolarHBondContact CA-O 3.35Å; F47-H189 HydrophobicContact CD1-CB 3.57Å; F47-H189 AromaticContact CD1-CG 3.76Å; F47-H189 AromaticContact CD1-ND1 3.76Å; F47-H189 HydrophobicContact CE1-CB 4.12Å; F47-H189 AromaticContact CE1-CG 3.8Å; F47-H189 AromaticContact CE1-ND1 3.61Å; F47-H189 HydrophobicContact CG-CB 4.49Å; Y48-H189 PolarHBondContact N-O 2.82Å; V50-H189 HydrophobicContact CG1-CB 3.79Å; Y54-H189 PolarHBondContact OH-CD2 2.84Å; C187-H189 PolarHBondContact O-CD2 3.17Å; C187-H189 PolarHBondContact O-N 2.82Å; H189-D303 IonicContact CE1-OD1 3.65Å
190	H	65.2	Low	80.5	Confident	28 Å²	28	50 Å²	50	13%	0.13	31%	0.309	C	S	.	.	S	Bend	trans	-116.6	40.7	-167.9	-90.1	-79.3	0	0	0	115.6	N46 E188 D303 W304	N46-H190 VanDerWaalsContact C-CE1 3.46Å; N46-H190 WeakPolarHBondContact CA-CE1 3.47Å; N46-H190 WeakPolarHBondContact CB-CE1 3.41Å; N46-H190 PolarHBondContact O-CD2 3.07Å; N46-H190 VanDerWaalsContact O-CD2 3.25Å; N46-H190 PolarHBondContact O-CE1 3.44Å; N46-H190 PolarHBondContact O-ND1 3.25Å; N46-H190 PolarHBondContact O-NE2 2.89Å; N46-H190 PolarHBondContact OD1-CE1 3.48Å; E188-H190 PolarHBondContact OE1-N 3.24Å; H190-D303 HydrophobicContact CB-CB 4.28Å; H190-D303 IonicContact CD2-OD1 3.7Å; H190-D303 PolarHBondContact CD2-OD1 3.42Å; H190-D303 IonicContact CD2-OD2 2.84Å; H190-D303 PolarHBondContact CE1-O 3.39Å; H190-D303 VanDerWaalsContact NE2-C 3.34Å; H190-D303 PolarHBondContact NE2-O 2.7Å; H190-D303 IonicContact NE2-OD1 3.41Å; H190-W304 WeakPolarHBondContact NE2-CA 3.08Å; H190-W304 PolarHBondContact NE2-N 2.87Å
191	V	66	Low	79.2	Confident	87 Å²	87	57 Å²	57	53%	0.527	34%	0.342	S	S	.	.	S	Bend	trans	93.1	-178.7	-172.5	-52.2	0	0	0	0	113.7	Y48 E188 G193	Y48-V191 HydrophobicContact CD2-CG1 3.99Å; Y48-V191 HydrophobicContact CE2-CG1 3.98Å; Y48-V191 HydrophobicContact CG-CG1 4.28Å; E188-V191 VanDerWaalsContact CD-O 3.31Å; E188-V191 WeakPolarHBondContact CG-O 3.36Å; V191-G193 PolarHBondContact O-N 3.39Å
192	N	60.2	Low	78.2	Confident	163 Å²	163	58.5 Å²	58.5	87%	0.872	36%	0.359	S	S	*	.	S	Bend	trans	-62.5	105	177	-81.1	-10.1	0	0	0	110.5
193	G	64.6	Low	77.9	Confident	51 Å²	51	65.4 Å²	65.4	53%	0.526	40%	0.396	S	S	.	.			trans	-125.3	-161.7	169.8	0	0	0	0	0	112.1	E188 V191	E188-G193 WeakPolarHBondContact OE2-CA 3.39Å; V191-G193 PolarHBondContact O-N 3.39Å
194	S	70.6	Confident	77.9	Confident	128 Å²	128	64.9 Å²	64.9	90%	0.895	39%	0.391	S	S	*	.	S	Bend	trans	-93.3	-4.2	-175.1	57.5	0	0	0	0	114.1
195	R	76.9	Confident	78	Confident	75 Å²	75	65.2 Å²	65.2	28%	0.283	40%	0.395	S	S	.	.	S	Bend	trans	-84.4	155.6	-178.4	-63.8	173.2	-171.8	160.2	5.4	111.1	E188 N301 D303	E188-R195 HydrophobicContact CB-CB 3.79Å; E188-R195 WeakPolarHBondContact CB-O 3.29Å; R195-N301 PolarHBondContact NH1-ND2 2.03Å; R195-N301 VanDerWaalsContact NH1-ND2 3.17Å; R195-N301 PolarHBondContact NH2-ND2 3.29Å; R195-N301 VanDerWaalsContact NH2-ND2 3.19Å; R195-N301 PolarHBondContact NH2-OD1 2.65Å; R195-D303 IonicContact CZ-OD2 2.81Å; R195-D303 IonicContact NH1-OD2 2.79Å; R195-D303 PolarHBondContact NH1-OD2 2.64Å; R195-D303 IonicContact NH2-OD2 3.62Å
196	P	76.1	Confident	78.2	Confident	66 Å²	66	72 Å²	72	43%	0.429	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-65.5	154.3	175.8	27.5	-35.7	0	0	0	111.9	P185 P186 C187 E188	P185-P196 HydrophobicContact CB-CG 4.46Å; P186-P196 WeakPolarHBondContact O-CD 3.24Å; P186-P196 WeakPolarHBondContact O-CG 3.41Å; C187-P196 CarbonylContact C-O 3.47Å; C187-P196 VanDerWaalsContact CA-O 3.31Å; C187-P196 WeakPolarHBondContact CA-O 3.38Å; C187-P196 WeakPolarHBondContact CB-O 3.14Å; E188-P196 PolarHBondContact N-O 2.8Å
197	P	79.1	Confident	78.6	Confident	111 Å²	111	73.2 Å²	73.2	72%	0.721	43%	0.428	S	S	*	.	B	Isolated β-bridge	trans	-58.4	140.2	175.4	-22.6	32.8	0	0	0	112.6	T199	P197-T199 PolarHBondContact O-N 2.95Å
198	C	80.3	Confident	79.3	Confident	11 Å²	11	75.6 Å²	75.6	7%	0.074	44%	0.444	C	S	.	.			trans	-72.8	116	175.2	-65	0	0	0	0	111.9	V50 Y54 C187 E188	V50-C198 HydrophobicContact CG1-CB 3.92Å; Y54-C198 HydrophobicContact CD1-CB 3.81Å; Y54-C198 HydrophobicContact CD2-CB 3.76Å; Y54-C198 HydrophobicContact CE1-CB 3.7Å; Y54-C198 HydrophobicContact CE2-CB 3.66Å; Y54-C198 HydrophobicContact CG-CB 3.82Å; Y54-C198 PolarHBondContact OH-SG 3.49Å; C187-C198 HydrophobicContact CB-CB 3.86Å; C187-C198 WeakPolarHBondContact CB-SG 3.12Å; C187-C198 WeakPolarHBondContact SG-CA 3.4Å; C187-C198 WeakPolarHBondContact SG-CB 3.17Å; C187-C198 CovalentContact SG-SG 2.04Å; C187-C198 PolarHBondContact SG-SG 2.72Å; E188-C198 VanDerWaalsContact C-SG 3.52Å; E188-C198 PolarHBondContact O-SG 3.38Å
199	T	76.5	Confident	80.3	Confident	79 Å²	79	81.1 Å²	81.1	49%	0.485	47%	0.468	S	S	.	.			trans	-106.3	150.3	172.2	58.3	0	0	0	0	110.6	Y54 S104 P197 E201	Y54-T199 WeakPolarHBondContact CD2-O 3.2Å; S104-T199 WeakPolarHBondContact CB-O 3.38Å; S104-T199 PolarHBondContact OG-N 3.17Å; S104-T199 PolarHBondContact OG-O 3.13Å; P197-T199 PolarHBondContact O-N 2.95Å; T199-E201 PolarHBondContact O-N 2.94Å; T199-E201 PolarHBondContact OG1-O 3.26Å
200	G	67.8	Low	81.4	Confident	15 Å²	15	86.6 Å²	86.6	16%	0.155	50%	0.496	C	S	.	.	S	Bend	trans	-81.5	2.1	173.6	0	0	0	0	0	114.2	R57	R57-G200 WeakPolarHBondContact CD-O 3.02Å
201	E	69.8	Low	83	Confident	168 Å²	168	86.1 Å²	86.1	79%	0.785	50%	0.496	S	S	*	.			trans	-109.3	134.2	-176.1	-61.5	-170.9	170	0	0	110.7	T199	T199-E201 PolarHBondContact O-N 2.94Å; T199-E201 PolarHBondContact OG1-O 3.26Å
202	G	78.7	Confident	84.5	Confident	38 Å²	38	85.5 Å²	85.5	39%	0.392	49%	0.487	S	S	.	.			trans	174	125.9	175.5	0	0	0	0	0	111.7	R57	R57-G202 PolarHBondContact NH2-O 3.03Å
203	D	92.2	Very high	86.3	Confident	155 Å²	155	84.3 Å²	84.3	83%	0.829	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-75	151.8	178.4	-69.3	-37.9	0	0	0	111.7	P205	D203-P205 WeakPolarHBondContact O-CD 2.89Å
204	T	97.1	Very high	87.8	Confident	47 Å²	47	86 Å²	86	29%	0.288	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-63.1	125.6	168.7	-52.6	0	0	0	0	109.4	L139 G149 C150	L139-T204 HydrophobicContact CD1-CG2 4.19Å; L139-T204 HydrophobicContact CG-CG2 4.18Å; G149-T204 WeakPolarHBondContact CA-OG1 3.45Å; C150-T204 PolarHBondContact N-OG1 3.2Å
205	P	97.5	Very high	89.1	Confident	33 Å²	33	83.3 Å²	83.3	21%	0.214	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-59	154.2	175.9	-20.6	30.5	0	0	0	111.9	T140 S183 I184 D203	T140-P205 WeakPolarHBondContact CB-O 3.15Å; T140-P205 HydrophobicContact CG2-CB 3.79Å; T140-P205 HydrophobicContact CG2-CG 4.28Å; T140-P205 WeakPolarHBondContact CG2-O 3.36Å; S183-P205 WeakPolarHBondContact OG-CG 3.27Å; I184-P205 HydrophobicContact CD1-CG 4.05Å; I184-P205 HydrophobicContact CG1-CG 4.01Å; D203-P205 WeakPolarHBondContact O-CD 2.89Å
206	K	97.9	Very high	90	Very high	191 Å²	191	84.7 Å²	84.7	83%	0.83	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-73.2	139.8	-179.5	-67.6	-178.1	-179.3	175.9	0	110.6	S208	K206-S208 PolarHBondContact O-N 3.41Å
207	C	98.4	Very high	91	Very high	55 Å²	55	84 Å²	84	37%	0.372	49%	0.493	S	S	.	.			trans	-57.5	115.6	170.8	177.1	0	0	0	0	110.8	T140 C141	T140-C207 WeakPolarHBondContact O-CB 3.47Å; C141-C207 VanDerWaalsContact CA-SG 3.55Å; C141-C207 HydrophobicContact CB-CB 3.98Å; C141-C207 WeakPolarHBondContact CB-SG 3.5Å; C141-C207 VanDerWaalsContact SG-CA 3.54Å; C141-C207 WeakPolarHBondContact SG-CB 3.37Å; C141-C207 CovalentContact SG-SG 2.04Å; C141-C207 PolarHBondContact SG-SG 2.97Å
208	S	98.2	Very high	92	Very high	52 Å²	52	82.6 Å²	82.6	36%	0.364	48%	0.483	S	S	.	.			trans	-116	121.3	174.3	-164.3	0	0	0	0	109.5	R180 K206 I210	R180-S208 VanDerWaalsContact CD-O 3.27Å; R180-S208 WeakPolarHBondContact CD-O 3.44Å; R180-S208 PolarHBondContact NE-O 3.41Å; R180-S208 PolarHBondContact NH1-O 2.91Å; K206-S208 PolarHBondContact O-N 3.41Å; S208-I210 VanDerWaalsContact C-N 3.29Å; S208-I210 PolarHBondContact O-N 3.2Å; S208-I210 WeakPolarHBondContact OG-CG2 3.45Å
209	K	98.5	Very high	92.8	Very high	151 Å²	151	83 Å²	83	66%	0.657	48%	0.483	S	S	*	.			trans	-97.6	45.9	-177	-64.6	-176.8	179.2	172.6	0	111.9	Y219	K209-Y219 HydrophobicContact CB-CD1 3.91Å; K209-Y219 HydrophobicContact CB-CE1 3.77Å; K209-Y219 HydrophobicContact CB-CE2 4.49Å; K209-Y219 HydrophobicContact CB-CG 4.35Å; K209-Y219 HydrophobicContact CD-CE1 4.3Å; K209-Y219 HydrophobicContact CG-CD1 4.48Å; K209-Y219 HydrophobicContact CG-CE1 3.83Å
210	I	98.4	Very high	93.9	Very high	115 Å²	115	87.8 Å²	87.8	59%	0.59	50%	0.497	S	S	*	.	S	Bend	trans	-140	145.1	178.8	-165.8	171.5	0	0	0	108.2	S208	S208-I210 VanDerWaalsContact C-N 3.29Å; S208-I210 PolarHBondContact O-N 3.2Å; S208-I210 WeakPolarHBondContact OG-CG2 3.45Å
211	C	98.6	Very high	95.3	Very high	18 Å²	18	93.6 Å²	93.6	12%	0.122	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-82.1	163.8	173.9	-55.5	0	0	0	0	111.1	C179 Y215 Y219	C179-C211 HydrophobicContact CB-CB 3.81Å; C179-C211 WeakPolarHBondContact CB-SG 3.37Å; C179-C211 CarbonylContact O-C 3.47Å; C179-C211 WeakPolarHBondContact O-CA 3.34Å; C179-C211 WeakPolarHBondContact O-CB 3.26Å; C179-C211 WeakPolarHBondContact SG-CA 3.23Å; C179-C211 WeakPolarHBondContact SG-CB 3.49Å; C179-C211 CovalentContact SG-SG 2.03Å; C179-C211 PolarHBondContact SG-SG 2.94Å; C211-Y215 HydrophobicContact CB-CD1 3.83Å; C211-Y215 HydrophobicContact CB-CG 4.4Å; C211-Y219 WeakPolarHBondContact SG-CA 3.46Å; C211-Y219 PolarHBondContact SG-N 3.2Å
212	E	97.2	Very high	96.6	Very high	74 Å²	74	86 Å²	86	35%	0.346	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-56.8	143.4	170.6	-73.5	-165.4	172.3	0	0	111.9	H176 C179 P181 G214 Y215	H176-E212 IonicContact ND1-OE2 2.93Å; H176-E212 PolarHBondContact ND1-OE2 3.5Å; C179-E212 PolarHBondContact O-N 2.94Å; P181-E212 HydrophobicContact CG-CG 4.46Å; E212-G214 PolarHBondContact O-N 2.88Å; E212-Y215 WeakPolarHBondContact O-CB 3.38Å; E212-Y215 PolarHBondContact O-N 2.9Å; E212-Y215 VanDerWaalsContact O-N 3.15Å
213	P	97.4	Very high	97.6	Very high	137 Å²	137	85.3 Å²	85.3	89%	0.89	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	135.7	174.4	-24.2	34.1	0	0	0	111.8	Y215	P213-Y215 VanDerWaalsContact C-N 3.33Å
214	G	96.8	Very high	97.9	Very high	88 Å²	88	80.3 Å²	80.3	91%	0.907	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-13.5	-177.7	0	0	0	0	0	114.2	E212	E212-G214 PolarHBondContact O-N 2.88Å
215	Y	98.1	Very high	97.9	Very high	71 Å²	71	82 Å²	82	28%	0.278	44%	0.444	S	S	.	.			trans	-80	145.6	171.3	-171.7	-97.3	0	0	0	112	S169 G178 C179 C211 E212 P213 P217 D222	S169-Y215 PolarHBondContact OG-OH 3.11Å; G178-Y215 VanDerWaalsContact C-CD2 3.46Å; G178-Y215 VanDerWaalsContact C-CE2 3.41Å; G178-Y215 VanDerWaalsContact CA-CE2 3.45Å; G178-Y215 WeakPolarHBondContact O-CD2 3.41Å; C179-Y215 HydrophobicContact CB-CD1 3.94Å; C179-Y215 HydrophobicContact CB-CE1 3.71Å; C211-Y215 HydrophobicContact CB-CD1 3.83Å; C211-Y215 HydrophobicContact CB-CG 4.4Å; E212-Y215 WeakPolarHBondContact O-CB 3.38Å; E212-Y215 PolarHBondContact O-N 2.9Å; E212-Y215 VanDerWaalsContact O-N 3.15Å; P213-Y215 VanDerWaalsContact C-N 3.33Å; Y215-P217 WeakPolarHBondContact CD1-O 3.14Å; Y215-P217 WeakPolarHBondContact CE1-O 3.44Å; Y215-D222 HydrophobicContact CE1-CB 4.38Å; Y215-D222 WeakPolarHBondContact CE1-OD1 3.42Å; Y215-D222 PolarHBondContact OH-OD1 3.08Å
216	S	95.9	Very high	97.9	Very high	104 Å²	104	80.6 Å²	80.6	73%	0.727	44%	0.435	S	S	*	.			trans	-144.2	138.2	166.5	-73.4	0	0	0	0	107.7
217	P	97.6	Very high	97.9	Very high	51 Å²	51	77.6 Å²	77.6	33%	0.331	42%	0.42	S	S	.	.	S	Bend	cis	-85.8	-173.4	18.1	37	-39.5	0	0	0	115	Y215 Q221 D222	Y215-P217 WeakPolarHBondContact CD1-O 3.14Å; Y215-P217 WeakPolarHBondContact CE1-O 3.44Å; P217-Q221 HydrophobicContact CB-CB 3.76Å; P217-Q221 HydrophobicContact CG-CB 4.2Å; P217-D222 HydrophobicContact CG-CB 4.06Å
218	T	98.3	Very high	97.7	Very high	82 Å²	82	77.8 Å²	77.8	50%	0.503	42%	0.417	S	S	.	.			trans	-70.8	160.5	177.9	66.5	0	0	0	0	112.4	K220 Q221 D222	T218-K220 PolarHBondContact O-N 3.22Å; T218-Q221 VanDerWaalsContact N-OE1 3.12Å; T218-Q221 PolarHBondContact O-N 3.47Å; T218-Q221 VanDerWaalsContact OG1-CD 3.31Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.29Å; T218-Q221 PolarHBondContact OG1-OE1 3.21Å; T218-D222 PolarHBondContact O-N 3.19Å
219	Y	98.6	Very high	97.7	Very high	20 Å²	20	76.1 Å²	76.1	8%	0.078	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-39.8	179.5	176.6	-88.7	0	0	0	114.2	D137 V168 K209 C211 K223	D137-Y219 VanDerWaalsContact OD1-CE2 3.27Å; D137-Y219 WeakPolarHBondContact OD1-CE2 3.48Å; D137-Y219 VanDerWaalsContact OD1-CZ 3.31Å; D137-Y219 PolarHBondContact OD1-OH 2.82Å; D137-Y219 PolarHBondContact OD2-OH 2.77Å; V168-Y219 HydrophobicContact CG1-CD2 3.64Å; V168-Y219 HydrophobicContact CG1-CE2 3.68Å; V168-Y219 HydrophobicContact CG1-CG 4.11Å; V168-Y219 WeakPolarHBondContact CG1-O 3.26Å; V168-Y219 HydrophobicContact CG2-CD2 4.22Å; V168-Y219 HydrophobicContact CG2-CE2 4.01Å; K209-Y219 HydrophobicContact CB-CD1 3.91Å; K209-Y219 HydrophobicContact CB-CE1 3.77Å; K209-Y219 HydrophobicContact CB-CE2 4.49Å; K209-Y219 HydrophobicContact CB-CG 4.35Å; K209-Y219 HydrophobicContact CD-CE1 4.3Å; K209-Y219 HydrophobicContact CG-CD1 4.48Å; K209-Y219 HydrophobicContact CG-CE1 3.83Å; C211-Y219 WeakPolarHBondContact SG-CA 3.46Å; C211-Y219 PolarHBondContact SG-N 3.2Å; Y219-K223 VanDerWaalsContact CZ-CE 3.44Å; Y219-K223 WeakPolarHBondContact OH-CE 3.39Å; Y219-K223 PolarHBondContact OH-NZ 3.47Å
220	K	97.9	Very high	97.7	Very high	178 Å²	178	69.4 Å²	69.4	77%	0.774	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-32.8	179.8	-69.5	-177.2	-178.7	176	0	112.9	T218	T218-K220 PolarHBondContact O-N 3.22Å
221	Q	97.8	Very high	97.7	Very high	137 Å²	137	64.6 Å²	64.6	64%	0.64	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-28.4	-179.3	-72.2	167.5	-43.2	0	0	111.7	P217 T218 K223	P217-Q221 HydrophobicContact CB-CB 3.76Å; P217-Q221 HydrophobicContact CG-CB 4.2Å; T218-Q221 VanDerWaalsContact N-OE1 3.12Å; T218-Q221 PolarHBondContact O-N 3.47Å; T218-Q221 VanDerWaalsContact OG1-CD 3.31Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.29Å; T218-Q221 PolarHBondContact OG1-OE1 3.21Å; Q221-K223 PolarHBondContact O-N 3.23Å
222	D	98.4	Very high	97.6	Very high	9 Å²	9	64 Å²	64	5%	0.048	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	1.8	179.3	-157.9	67	0	0	0	113.8	V168 S169 C179 Y215 P217 T218 H224	V168-D222 WeakPolarHBondContact CA-O 3.38Å; V168-D222 HydrophobicContact CB-CB 4.27Å; V168-D222 WeakPolarHBondContact CB-OD2 3.39Å; V168-D222 HydrophobicContact CG1-CB 4.17Å; S169-D222 VanDerWaalsContact CB-OD2 3.29Å; S169-D222 WeakPolarHBondContact CB-OD2 3.48Å; S169-D222 PolarHBondContact N-OD2 2.88Å; S169-D222 PolarHBondContact OG-OD2 3.26Å; C179-D222 HydrophobicContact CB-CB 4.31Å; C179-D222 WeakPolarHBondContact CB-OD2 3.22Å; Y215-D222 HydrophobicContact CE1-CB 4.38Å; Y215-D222 WeakPolarHBondContact CE1-OD1 3.42Å; Y215-D222 PolarHBondContact OH-OD1 3.08Å; P217-D222 HydrophobicContact CG-CB 4.06Å; T218-D222 PolarHBondContact O-N 3.19Å; D222-H224 PolarHBondContact O-CD2 3.42Å; D222-H224 PolarHBondContact O-N 3.34Å
223	K	98.2	Very high	97.6	Very high	24 Å²	24	61.2 Å²	61.2	10%	0.104	34%	0.337	C	S	.	.			trans	-73.7	121.6	-176.9	-77.3	-72	-173.6	177.2	0	111.9	D137 G166 V168 Y219 Q221 Y225	D137-K223 IonicContact OD1-NZ 2.69Å; D137-K223 IonicContact OD2-NZ 3.54Å; D137-K223 PolarHBondContact OD2-NZ 2.7Å; G166-K223 VanDerWaalsContact C-CD 3.49Å; G166-K223 PolarHBondContact O-NZ 3.12Å; V168-K223 HydrophobicContact CG1-CD 3.7Å; V168-K223 HydrophobicContact CG1-CG 4.02Å; Y219-K223 VanDerWaalsContact CZ-CE 3.44Å; Y219-K223 WeakPolarHBondContact OH-CE 3.39Å; Y219-K223 PolarHBondContact OH-NZ 3.47Å; Q221-K223 PolarHBondContact O-N 3.23Å; K223-Y225 HydrophobicContact CB-CD2 4.33Å; K223-Y225 HydrophobicContact CB-CE2 3.5Å; K223-Y225 WeakPolarHBondContact O-CD2 3.38Å; K223-Y225 WeakPolarHBondContact O-CE2 3.39Å
224	H	98.2	Very high	97.5	Very high	49 Å²	49	58.8 Å²	58.8	23%	0.227	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-97.2	132.1	168.5	-59.6	-90.9	0	0	0	110.3	I121 W162 G166 L167 D222	I121-H224 HydrophobicContact CD1-CB 3.98Å; W162-H224 PolarHBondContact NE1-O 2.79Å; G166-H224 CarbonylContact C-O 3.58Å; G166-H224 WeakPolarHBondContact CA-O 3.27Å; L167-H224 PolarHBondContact N-O 3.38Å; L167-H224 PolarHBondContact O-N 2.91Å; D222-H224 PolarHBondContact O-CD2 3.42Å; D222-H224 PolarHBondContact O-N 3.34Å
225	Y	98.3	Very high	97.5	Very high	84 Å²	84	56.4 Å²	56.4	33%	0.329	29%	0.286	S	S	.	.			trans	-116.4	143.3	-172.5	-66.6	-93.1	0	0	0	112.2	K165 K223 R331	K165-Y225 VanDerWaalsContact C-CE1 3.41Å; K165-Y225 WeakPolarHBondContact O-CE1 3.33Å; K223-Y225 HydrophobicContact CB-CD2 4.33Å; K223-Y225 HydrophobicContact CB-CE2 3.5Å; K223-Y225 WeakPolarHBondContact O-CD2 3.38Å; K223-Y225 WeakPolarHBondContact O-CE2 3.39Å; Y225-R331 WeakPolarHBondContact O-CB 3.42Å; Y225-R331 PolarHBondContact O-N 3.01Å
226	G	97.6	Very high	97.5	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	146.2	167.3	0	0	0	0	0	111.9	W162 R331	W162-G226 VanDerWaalsContact CD2-CA 3.41Å; W162-G226 VanDerWaalsContact CE3-CA 3.47Å; W162-G226 VanDerWaalsContact CH2-CA 3.47Å; W162-G226 VanDerWaalsContact CZ3-CA 3.49Å; W162-G226 PolarHBondContact O-N 3.1Å; G226-R331 WeakPolarHBondContact O-CD 3.47Å
227	Y	96.4	Very high	97.5	Very high	128 Å²	128	55.2 Å²	55.2	50%	0.502	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-47.1	173.1	177.2	-104.9	0	0	0	109.8	I329 R331	Y227-I329 WeakPolarHBondContact CB-O 3.33Å; Y227-I329 PolarHBondContact N-O 3.2Å; Y227-R331 HydrophobicContact CD2-CG 4.45Å
228	N	96	Very high	97.5	Very high	59 Å²	59	53.9 Å²	53.9	32%	0.316	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	167.3	175.8	61.6	8.2	0	0	0	110.9	Y230 G328 I329	N228-Y230 WeakPolarHBondContact OD1-CE1 2.89Å; N228-G328 WeakPolarHBondContact O-CA 3.05Å; N228-I329 PolarHBondContact O-N 3.34Å; N228-I329 PolarHBondContact OD1-N 3.04Å
229	S	97.3	Very high	97.5	Very high	18 Å²	18	50 Å²	50	13%	0.126	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.8	167.8	62.9	0	0	0	0	109.5	A327	S229-A327 CarbonylContact C-O 3.59Å; S229-A327 WeakPolarHBondContact CA-O 3.47Å
230	Y	98.4	Very high	97.5	Very high	9 Å²	9	50 Å²	50	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	157.5	-175.7	46.9	-95	0	0	0	111.3	P69 R71 R120 N228 E242 V326 A327 I329	P69-Y230 CarbonylContact O-C 3.27Å; P69-Y230 WeakPolarHBondContact O-CA 3.14Å; P69-Y230 WeakPolarHBondContact O-CB 3.25Å; R71-Y230 HydrophobicContact CB-CD2 3.53Å; R71-Y230 HydrophobicContact CB-CE2 4.17Å; R71-Y230 HydrophobicContact CB-CG 3.82Å; R71-Y230 VanDerWaalsContact CD-CE2 3.43Å; R71-Y230 HydrophobicContact CG-CD2 4.23Å; R71-Y230 HydrophobicContact CG-CE2 4.44Å; R71-Y230 VanDerWaalsContact NH1-CZ 3.35Å; R71-Y230 PolarHBondContact NH1-OH 3.27Å; R120-Y230 PolarHBondContact NH1-OH 3.26Å; N228-Y230 WeakPolarHBondContact OD1-CE1 2.89Å; Y230-E242 PolarHBondContact OH-OE1 2.61Å; Y230-E242 VanDerWaalsContact OH-OE1 3.05Å; Y230-V326 WeakPolarHBondContact O-CA 3.42Å; Y230-A327 HydrophobicContact CD2-CB 4.27Å; Y230-A327 HydrophobicContact CE2-CB 3.62Å; Y230-A327 PolarHBondContact N-O 3.38Å; Y230-A327 PolarHBondContact O-N 3.42Å; Y230-I329 HydrophobicContact CE1-CG1 4.1Å; Y230-I329 WeakPolarHBondContact OH-CD1 3.19Å
231	S	97.8	Very high	97.5	Very high	14 Å²	14	41.5 Å²	41.5	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	146.3	165.9	-73.6	0	0	0	0	110.3	P68 P69 Q70 R71 V325	P68-S231 WeakPolarHBondContact CD-OG 3.38Å; P69-S231 PolarHBondContact O-N 2.88Å; Q70-S231 WeakPolarHBondContact CA-O 3.27Å; R71-S231 PolarHBondContact N-O 3.37Å; S231-V325 WeakPolarHBondContact CA-O 3.45Å
232	V	97.6	Very high	97.6	Very high	7 Å²	7	35 Å²	35	4%	0.042	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-88.6	143.8	163.9	-170.4	0	0	0	0	107.8	D238 I239 E242 V325	V232-D238 HydrophobicContact CG1-CB 4.07Å; V232-I239 HydrophobicContact CB-CG1 4.41Å; V232-I239 HydrophobicContact CG1-CB 4.49Å; V232-I239 HydrophobicContact CG1-CG1 3.84Å; V232-E242 HydrophobicContact CG1-CB 4.36Å; V232-E242 HydrophobicContact CG2-CB 4.07Å; V232-E242 HydrophobicContact CG2-CG 3.77Å; V232-V325 HydrophobicContact CB-CB 4.12Å; V232-V325 HydrophobicContact CB-CG1 3.9Å; V232-V325 HydrophobicContact CG2-CB 4.47Å; V232-V325 HydrophobicContact CG2-CG1 3.75Å; V232-V325 PolarHBondContact N-O 3.37Å
233	S	96	Very high	97.6	Very high	14 Å²	14	34.6 Å²	34.6	10%	0.098	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-57.2	146.7	173.4	20.7	0	0	0	0	110.6	S235 D238	S233-S235 PolarHBondContact O-N 3.2Å; S233-D238 VanDerWaalsContact OG-CB 3.3Å; S233-D238 WeakPolarHBondContact OG-CB 3.31Å; S233-D238 VanDerWaalsContact OG-CG 3.29Å; S233-D238 PolarHBondContact OG-OD2 3.23Å
234	N	96.3	Very high	97.6	Very high	86 Å²	86	37.5 Å²	37.5	46%	0.46	18%	0.179	S	C	.	.	S	Bend	trans	-70.8	73.7	168.4	-174.2	-2.6	0	0	0	109.3	D317 E322 S323	N234-D317 PolarHBondContact ND2-OD2 2.98Å; N234-E322 WeakPolarHBondContact CA-O 3.47Å; N234-E322 VanDerWaalsContact OD1-CB 3.29Å; N234-E322 WeakPolarHBondContact OD1-CB 3.39Å; N234-E322 PolarHBondContact OD1-O 2.97Å; N234-S323 PolarHBondContact ND2-OG 3.39Å
235	S	96.9	Very high	97.5	Very high	39 Å²	39	39.4 Å²	39.4	27%	0.273	19%	0.187	S	C	.	.			trans	-147.7	114.8	-177.6	164.1	0	0	0	0	106.2	S233 K237 D238 I239	S233-S235 PolarHBondContact O-N 3.2Å; S235-K237 PolarHBondContact O-N 3.43Å; S235-K237 VanDerWaalsContact O-N 3.16Å; S235-D238 VanDerWaalsContact CB-OD2 3.28Å; S235-D238 WeakPolarHBondContact CB-OD2 3.16Å; S235-D238 PolarHBondContact O-N 3.45Å; S235-D238 PolarHBondContact OG-N 3.19Å; S235-D238 PolarHBondContact OG-OD2 2.66Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 3.38Å
236	E	97.6	Very high	97.5	Very high	66 Å²	66	36.3 Å²	36.3	31%	0.308	18%	0.175	S	C	.	.	H	α-helix	trans	-44.2	-49.1	176.3	178.3	-172.1	175.9	0	0	111.7	D238 I239 M240 W294 R314 G315	E236-D238 VanDerWaalsContact C-N 3.35Å; E236-D238 PolarHBondContact O-N 3.21Å; E236-I239 PolarHBondContact O-N 3.05Å; E236-M240 HydrophobicContact CG-SD 4Å; E236-M240 VanDerWaalsContact O-CG 3.25Å; E236-M240 WeakPolarHBondContact O-CG 3.48Å; E236-M240 PolarHBondContact O-N 3.21Å; E236-W294 HydrophobicContact CG-CZ2 4.17Å; E236-R314 HydrophobicContact CG-CG 3.79Å; E236-R314 IonicContact OE1-CZ 3.63Å; E236-R314 IonicContact OE1-NH1 2.58Å; E236-R314 PolarHBondContact OE1-NH1 3.42Å; E236-G315 WeakPolarHBondContact OE2-CA 3.29Å
237	K	96.9	Very high	97.6	Very high	84 Å²	84	36.2 Å²	36.2	37%	0.365	18%	0.175	S	C	.	.	H	α-helix	trans	-65.3	-35.8	-178.3	-168.7	178	-177.8	-170.5	0	112.8	T75 L80 S235 A241	T75-K237 WeakPolarHBondContact O-CE 3.2Å; T75-K237 PolarHBondContact O-NZ 2.75Å; L80-K237 HydrophobicContact CD1-CG 4.3Å; S235-K237 PolarHBondContact O-N 3.43Å; S235-K237 VanDerWaalsContact O-N 3.16Å; K237-A241 VanDerWaalsContact O-CB 3.24Å; K237-A241 WeakPolarHBondContact O-CB 3.21Å; K237-A241 PolarHBondContact O-N 3.43Å
238	D	97.4	Very high	97.7	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.118	15%	0.151	C	C	.	.	H	α-helix	trans	-74.1	-37	180	-65.7	-25	0	0	0	111.4	M73 T75 V232 S233 S235 E236 A241 E242	M73-D238 HydrophobicContact CB-CB 4.22Å; M73-D238 HydrophobicContact CG-CB 4.31Å; T75-D238 WeakPolarHBondContact CG2-OD1 3.27Å; T75-D238 PolarHBondContact OG1-OD1 3.36Å; V232-D238 HydrophobicContact CG1-CB 4.07Å; S233-D238 VanDerWaalsContact OG-CB 3.3Å; S233-D238 WeakPolarHBondContact OG-CB 3.31Å; S233-D238 VanDerWaalsContact OG-CG 3.29Å; S233-D238 PolarHBondContact OG-OD2 3.23Å; S235-D238 VanDerWaalsContact CB-OD2 3.28Å; S235-D238 WeakPolarHBondContact CB-OD2 3.16Å; S235-D238 PolarHBondContact O-N 3.45Å; S235-D238 PolarHBondContact OG-N 3.19Å; S235-D238 PolarHBondContact OG-OD2 2.66Å; E236-D238 VanDerWaalsContact C-N 3.35Å; E236-D238 PolarHBondContact O-N 3.21Å; D238-A241 PolarHBondContact O-N 2.76Å; D238-E242 WeakPolarHBondContact O-CB 3.45Å; D238-E242 PolarHBondContact O-N 3.3Å
239	I	98.6	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.6	-48	173.4	-61.3	163.3	0	0	0	110.2	V232 S235 E236 A241 E242 I243 W294 E322 V325	V232-I239 HydrophobicContact CB-CG1 4.41Å; V232-I239 HydrophobicContact CG1-CB 4.49Å; V232-I239 HydrophobicContact CG1-CG1 3.84Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 3.38Å; E236-I239 PolarHBondContact O-N 3.05Å; I239-A241 VanDerWaalsContact C-N 3.3Å; I239-A241 PolarHBondContact O-N 3.34Å; I239-E242 PolarHBondContact O-N 3.17Å; I239-I243 HydrophobicContact CG2-CD1 3.96Å; I239-I243 WeakPolarHBondContact O-CG1 3.4Å; I239-I243 PolarHBondContact O-N 2.91Å; I239-W294 HydrophobicContact CB-CH2 3.74Å; I239-W294 HydrophobicContact CB-CZ2 4.09Å; I239-W294 HydrophobicContact CD1-CZ2 4.43Å; I239-W294 HydrophobicContact CG2-CH2 3.49Å; I239-W294 VanDerWaalsContact CG2-CH2 3.49Å; I239-W294 HydrophobicContact CG2-CZ2 3.92Å; I239-W294 HydrophobicContact CG2-CZ3 3.95Å; I239-E322 HydrophobicContact CD1-CB 3.68Å; I239-E322 HydrophobicContact CD1-CG 3.74Å; I239-V325 HydrophobicContact CD1-CG2 3.82Å; I239-V325 HydrophobicContact CG1-CB 4.43Å; I239-V325 HydrophobicContact CG1-CG1 4.5Å; I239-V325 HydrophobicContact CG1-CG2 4.1Å; I239-V325 HydrophobicContact CG2-CG1 4.49Å; I239-V325 HydrophobicContact CG2-CG2 4.46Å
240	M	98.6	Very high	97.9	Very high	21 Å²	21	26.4 Å²	26.4	10%	0.103	13%	0.13	C	C	.	.	H	α-helix	trans	-57.2	-45.1	174.3	-67.2	165.6	77.8	0	0	111	L80 E236 E242 I243 Y244 W285 W294	L80-M240 HydrophobicContact CB-CE 4.17Å; L80-M240 HydrophobicContact CD1-CB 3.58Å; L80-M240 HydrophobicContact CD1-CE 4.3Å; L80-M240 HydrophobicContact CD1-SD 4.49Å; E236-M240 HydrophobicContact CG-SD 4Å; E236-M240 VanDerWaalsContact O-CG 3.25Å; E236-M240 WeakPolarHBondContact O-CG 3.48Å; E236-M240 PolarHBondContact O-N 3.21Å; M240-E242 PolarHBondContact O-N 3.44Å; M240-I243 PolarHBondContact O-N 2.78Å; M240-Y244 VanDerWaalsContact O-CB 3.26Å; M240-Y244 WeakPolarHBondContact O-CB 3.44Å; M240-Y244 PolarHBondContact O-N 3.47Å; M240-W285 HydrophobicContact CB-CD2 4.37Å; M240-W285 HydrophobicContact CB-CE3 4.22Å; M240-W285 HydrophobicContact CB-CH2 4.11Å; M240-W285 HydrophobicContact CB-CZ2 4.22Å; M240-W285 HydrophobicContact CB-CZ3 4.11Å; M240-W285 HydrophobicContact CE-CD2 4.07Å; M240-W285 VanDerWaalsContact CE-CE2 3.48Å; M240-W285 HydrophobicContact CE-CG 4.18Å; M240-W285 HydrophobicContact CE-CZ2 3.95Å; M240-W285 HydrophobicContact CG-CD2 3.94Å; M240-W285 HydrophobicContact CG-CE3 4.1Å; M240-W285 HydrophobicContact CG-CG 4.35Å; M240-W285 HydrophobicContact CG-CZ3 4.49Å; M240-W285 WeakPolarHBondContact O-CH2 3.36Å; M240-W285 WeakPolarHBondContact O-CZ3 3.5Å; M240-W294 HydrophobicContact CB-CH2 4.44Å; M240-W294 HydrophobicContact CG-CH2 3.53Å; M240-W294 HydrophobicContact CG-CZ3 3.81Å
241	A	98.1	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-36	-179.8	0	0	0	0	0	113.1	M73 T75 L78 L80 K237 D238 I239 K245	M73-A241 HydrophobicContact CE-CB 3.66Å; T75-A241 HydrophobicContact CG2-CB 3.52Å; L78-A241 HydrophobicContact CD2-CB 3.58Å; L80-A241 HydrophobicContact CD1-CB 4.2Å; K237-A241 VanDerWaalsContact O-CB 3.24Å; K237-A241 WeakPolarHBondContact O-CB 3.21Å; K237-A241 PolarHBondContact O-N 3.43Å; D238-A241 PolarHBondContact O-N 2.76Å; I239-A241 VanDerWaalsContact C-N 3.3Å; I239-A241 PolarHBondContact O-N 3.34Å; A241-K245 WeakPolarHBondContact O-CB 3Å; A241-K245 VanDerWaalsContact O-CG 3.28Å; A241-K245 WeakPolarHBondContact O-CG 3.45Å; A241-K245 PolarHBondContact O-N 3.22Å; A241-K245 VanDerWaalsContact O-N 3.14Å
242	E	98.5	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-48.4	175.1	176.2	58.4	-149.4	0	0	110.5	R71 M73 R120 Y230 V232 D238 I239 M240 K245 N246 V249	R71-E242 IonicContact CZ-OE2 3.99Å; R71-E242 IonicContact NE-OE2 3.96Å; R71-E242 IonicContact NH1-OE1 3.28Å; R71-E242 PolarHBondContact NH1-OE1 3.02Å; R71-E242 IonicContact NH1-OE2 3.84Å; R71-E242 PolarHBondContact NH1-OE2 2.82Å; M73-E242 HydrophobicContact CE-CB 4.04Å; R120-E242 IonicContact CZ-OE1 2.68Å; R120-E242 VanDerWaalsContact CZ-OE1 3.28Å; R120-E242 IonicContact NH1-OE1 3.74Å; R120-E242 PolarHBondContact NH1-OE1 2.91Å; R120-E242 IonicContact NH2-OE1 3.49Å; R120-E242 PolarHBondContact NH2-OE1 3.07Å; Y230-E242 PolarHBondContact OH-OE1 2.61Å; Y230-E242 VanDerWaalsContact OH-OE1 3.05Å; V232-E242 HydrophobicContact CG1-CB 4.36Å; V232-E242 HydrophobicContact CG2-CB 4.07Å; V232-E242 HydrophobicContact CG2-CG 3.77Å; D238-E242 WeakPolarHBondContact O-CB 3.45Å; D238-E242 PolarHBondContact O-N 3.3Å; I239-E242 PolarHBondContact O-N 3.17Å; M240-E242 PolarHBondContact O-N 3.44Å; E242-K245 PolarHBondContact O-N 3.34Å; E242-N246 VanDerWaalsContact CD-ND2 3.26Å; E242-N246 WeakPolarHBondContact O-CB 3.26Å; E242-N246 PolarHBondContact O-N 2.59Å; E242-N246 VanDerWaalsContact OE1-CB 3.27Å; E242-N246 WeakPolarHBondContact OE1-CB 3.47Å; E242-N246 PolarHBondContact OE1-ND2 3.38Å; E242-N246 VanDerWaalsContact OE1-ND2 3.13Å; E242-N246 PolarHBondContact OE2-ND2 2.76Å; E242-V249 HydrophobicContact CB-CG1 4.49Å; E242-V249 HydrophobicContact CG-CG1 3.61Å
243	I	98.8	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-47.8	178.4	-65.1	167.1	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 3.74Å; W90-I243 WeakPolarHBondContact CH2-O 3.21Å; I239-I243 HydrophobicContact CG2-CD1 3.96Å; I239-I243 WeakPolarHBondContact O-CG1 3.4Å; I239-I243 PolarHBondContact O-N 2.91Å; M240-I243 PolarHBondContact O-N 2.78Å; I243-K245 VanDerWaalsContact C-N 3.31Å; I243-K245 PolarHBondContact O-N 3.11Å; I243-G247 WeakPolarHBondContact CA-O 3.38Å; I243-G247 WeakPolarHBondContact O-CA 3.29Å; I243-G247 PolarHBondContact O-N 2.04Å; I243-V249 HydrophobicContact CD1-CG2 3.96Å; I243-V249 HydrophobicContact CG1-CG1 4.01Å; I243-V249 HydrophobicContact CG1-CG2 3.86Å; I243-I282 HydrophobicContact CD1-CB 4.15Å; I243-I282 HydrophobicContact CD1-CG2 3.67Å; I243-W285 HydrophobicContact CB-CZ3 4.03Å; I243-W285 HydrophobicContact CG2-CZ3 3.94Å; I243-W294 HydrophobicContact CD1-CZ3 4.13Å
244	Y	98.4	Very high	98.2	Very high	86 Å²	86	25.3 Å²	25.3	34%	0.337	12%	0.124	S	C	.	.	H	α-helix	trans	-56.8	-43.3	-179.6	-170.8	-104.7	0	0	0	112.8	L80 P81 F84 M240 W285	L80-Y244 HydrophobicContact CD2-CD1 3.95Å; L80-Y244 HydrophobicContact CD2-CD2 4.12Å; L80-Y244 HydrophobicContact CD2-CG 3.62Å; P81-Y244 HydrophobicContact CG-CD2 4.41Å; P81-Y244 HydrophobicContact CG-CE2 4.15Å; F84-Y244 AromaticContact CD2-CD2 3.66Å; F84-Y244 HydrophobicContact CD2-CD2 3.66Å; F84-Y244 HydrophobicContact CD2-CE2 4.01Å; F84-Y244 AromaticContact CE2-CD2 3.55Å; F84-Y244 HydrophobicContact CE2-CD2 3.55Å; F84-Y244 AromaticContact CE2-CE2 3.92Å; F84-Y244 HydrophobicContact CE2-CE2 3.92Å; F84-Y244 HydrophobicContact CG-CD2 4.49Å; F84-Y244 HydrophobicContact CZ-CD2 4.33Å; M240-Y244 VanDerWaalsContact O-CB 3.26Å; M240-Y244 WeakPolarHBondContact O-CB 3.44Å; M240-Y244 PolarHBondContact O-N 3.47Å; Y244-W285 HydrophobicContact CD2-CH2 4.19Å
245	K	96.9	Very high	98.3	Very high	89 Å²	89	21.2 Å²	21.2	39%	0.387	10%	0.102	S	C	.	.	H	α-helix	trans	-84.5	-38.1	-174	-70.4	176.2	-179.1	175.6	0	112.7	A241 E242 I243	A241-K245 WeakPolarHBondContact O-CB 3Å; A241-K245 VanDerWaalsContact O-CG 3.28Å; A241-K245 WeakPolarHBondContact O-CG 3.45Å; A241-K245 PolarHBondContact O-N 3.22Å; A241-K245 VanDerWaalsContact O-N 3.14Å; E242-K245 PolarHBondContact O-N 3.34Å; I243-K245 VanDerWaalsContact C-N 3.31Å; I243-K245 PolarHBondContact O-N 3.11Å
246	N	98.1	Very high	98.3	Very high	18 Å²	18	22 Å²	22	10%	0.096	10%	0.099	C	C	.	.	H	α-helix	trans	-124.4	-3.9	-163	-56	-61.8	0	0	0	113.9	R71 R120 H124 E242 I329	R71-N246 PolarHBondContact NH1-ND2 2.77Å; R120-N246 WeakPolarHBondContact CG-O 3.04Å; H124-N246 PolarHBondContact NE2-O 3.12Å; E242-N246 VanDerWaalsContact CD-ND2 3.26Å; E242-N246 WeakPolarHBondContact O-CB 3.26Å; E242-N246 PolarHBondContact O-N 2.59Å; E242-N246 VanDerWaalsContact OE1-CB 3.27Å; E242-N246 WeakPolarHBondContact OE1-CB 3.47Å; E242-N246 PolarHBondContact OE1-ND2 3.38Å; E242-N246 VanDerWaalsContact OE1-ND2 3.13Å; E242-N246 PolarHBondContact OE2-ND2 2.76Å; N246-I329 HydrophobicContact CB-CD1 4.32Å
247	G	98.8	Very high	98.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.084	C	C	.	.			trans	92.1	-177.6	-178.5	0	0	0	0	0	114.4	R120 I243	R120-G247 PolarHBondContact NH2-O 2.86Å; I243-G247 WeakPolarHBondContact CA-O 3.38Å; I243-G247 WeakPolarHBondContact O-CA 3.29Å; I243-G247 PolarHBondContact O-N 2.04Å
248	P	98.9	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.067	C	C	.	.			trans	-50.8	150.6	-174.1	-30.9	39.6	0	0	0	114.4	A86 I96 D119 R120 R281 I282 L283	A86-P248 HydrophobicContact CB-CG 3.92Å; I96-P248 HydrophobicContact CG2-CG 4.25Å; D119-P248 HydrophobicContact CB-CG 4.16Å; D119-P248 WeakPolarHBondContact OD2-CG 3.29Å; R120-P248 PolarHBondContact NE-O 2.82Å; R120-P248 PolarHBondContact NH2-O 2.76Å; P248-R281 HydrophobicContact CB-CG 3.82Å; P248-I282 VanDerWaalsContact CA-O 3.25Å; P248-I282 WeakPolarHBondContact CA-O 3.42Å; P248-I282 WeakPolarHBondContact CB-O 3.49Å; P248-L283 HydrophobicContact CB-CB 4.09Å; P248-L283 HydrophobicContact CG-CB 3.79Å
249	V	98.9	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156.8	180	-63.8	0	0	0	0	109.8	R120 E242 I243 R281 I282 V325 A327	R120-V249 VanDerWaalsContact NH2-CG1 3.29Å; E242-V249 HydrophobicContact CB-CG1 4.49Å; E242-V249 HydrophobicContact CG-CG1 3.61Å; I243-V249 HydrophobicContact CD1-CG2 3.96Å; I243-V249 HydrophobicContact CG1-CG1 4.01Å; I243-V249 HydrophobicContact CG1-CG2 3.86Å; V249-R281 CarbonylContact O-C 3.43Å; V249-R281 WeakPolarHBondContact O-CA 3.45Å; V249-I282 HydrophobicContact CG2-CB 3.85Å; V249-I282 HydrophobicContact CG2-CD1 4.33Å; V249-I282 HydrophobicContact CG2-CG1 4.34Å; V249-I282 PolarHBondContact N-O 2.85Å; V249-I282 PolarHBondContact O-N 3.32Å; V249-V325 HydrophobicContact CB-CG1 3.76Å; V249-V325 HydrophobicContact CG1-CG1 4.26Å; V249-V325 HydrophobicContact CG2-CG1 3.53Å; V249-A327 HydrophobicContact CB-CB 4.47Å; V249-A327 HydrophobicContact CG1-CB 3.96Å
250	E	98.9	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.3	167	179.3	176.9	-141.4	0	0	109	G112 A113 P155 W159 I280 V325 V326	G112-E250 WeakPolarHBondContact CA-OE1 3.26Å; A113-E250 WeakPolarHBondContact CB-OE2 3.47Å; A113-E250 PolarHBondContact N-OE1 2.97Å; A113-E250 PolarHBondContact N-OE2 3.42Å; P155-E250 HydrophobicContact CB-CG 4.36Å; P155-E250 WeakPolarHBondContact CB-OE2 3.46Å; W159-E250 VanDerWaalsContact CD1-OE2 3.25Å; W159-E250 HydrophobicContact CZ2-CB 4.13Å; W159-E250 PolarHBondContact NE1-OE2 3.45Å; E250-I280 WeakPolarHBondContact CA-O 3.05Å; E250-V325 CarbonylContact O-C 3.5Å; E250-V325 WeakPolarHBondContact O-CA 3.18Å; E250-V326 HydrophobicContact CB-CG2 4.03Å; E250-V326 HydrophobicContact CG-CG2 4.24Å; E250-V326 PolarHBondContact N-O 3.17Å; E250-V326 VanDerWaalsContact N-O 3.07Å; E250-V326 PolarHBondContact O-N 3.01Å; E250-V326 VanDerWaalsContact O-O 3.13Å
251	G	98.6	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	171.3	172.3	0	0	0	0	0	110.4	A279 I280 E324	G251-A279 CarbonylContact O-C 3.53Å; G251-A279 VanDerWaalsContact O-CA 3.26Å; G251-A279 WeakPolarHBondContact O-CA 3.43Å; G251-I280 PolarHBondContact N-O 3.03Å; G251-I280 PolarHBondContact O-N 3.18Å; G251-E324 WeakPolarHBondContact CA-O 3.18Å
252	A	98.6	Very high	98.3	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.2	171.7	0	0	0	0	0	110.8	T61 L63 H278 A279 G320 E324	T61-A252 HydrophobicContact CG2-CB 3.98Å; L63-A252 HydrophobicContact CD2-CB 3.67Å; A252-H278 CarbonylContact C-O 3.59Å; A252-H278 VanDerWaalsContact CA-O 3.24Å; A252-H278 WeakPolarHBondContact CA-O 3.48Å; A252-A279 HydrophobicContact CB-CB 4.41Å; A252-G320 VanDerWaalsContact O-O 3.1Å; A252-E324 HydrophobicContact CB-CB 4.11Å
253	F	98.8	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	164.9	178	72.7	-69.2	0	0	0	111.3	V255 F259 H278 I280 F310 I312 C319 I321	F253-V255 HydrophobicContact CD2-CG2 4.49Å; F253-V255 HydrophobicContact CE1-CG2 4.35Å; F253-V255 HydrophobicContact CE2-CG2 3.83Å; F253-V255 HydrophobicContact CZ-CG2 3.75Å; F253-F259 HydrophobicContact CE2-CD1 4.33Å; F253-F259 HydrophobicContact CE2-CD2 4.26Å; F253-F259 HydrophobicContact CE2-CE1 4.24Å; F253-F259 HydrophobicContact CE2-CE2 4.17Å; F253-F259 HydrophobicContact CE2-CG 4.32Å; F253-F259 HydrophobicContact CE2-CZ 4.15Å; F253-F259 HydrophobicContact CZ-CD1 4.15Å; F253-F259 HydrophobicContact CZ-CD2 4.5Å; F253-F259 AromaticContact CZ-CE1 3.66Å; F253-F259 HydrophobicContact CZ-CE1 3.66Å; F253-F259 HydrophobicContact CZ-CE2 4.05Å; F253-F259 AromaticContact CZ-CZ 3.59Å; F253-F259 HydrophobicContact CZ-CZ 3.59Å; F253-H278 HydrophobicContact CE1-CB 4.26Å; F253-H278 AromaticContact CE1-CD2 3.97Å; F253-H278 PolarHBondContact N-O 2.8Å; F253-H278 PolarHBondContact O-N 3.28Å; F253-I280 HydrophobicContact CD1-CG1 4.03Å; F253-I280 HydrophobicContact CD1-CG2 4.41Å; F253-I280 HydrophobicContact CE1-CG1 4.13Å; 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 4.32Å; F253-F310 AromaticContact CZ-CZ 3.97Å; F253-F310 HydrophobicContact CZ-CZ 3.97Å; F253-I312 HydrophobicContact CD2-CD1 4.08Å; F253-I312 HydrophobicContact CE2-CD1 4.39Å; F253-C319 WeakPolarHBondContact CA-O 3.16Å; F253-C319 HydrophobicContact CB-CB 4.16Å; F253-C319 WeakPolarHBondContact CB-O 3.44Å; F253-C319 HydrophobicContact CD2-CB 4Å; F253-I321 HydrophobicContact CB-CB 4.13Å; F253-I321 HydrophobicContact CB-CD1 3.77Å; F253-I321 HydrophobicContact CD1-CD1 3.78Å; F253-I321 HydrophobicContact CG-CD1 3.91Å
254	S	98.8	Very high	98.3	Very high	20 Å²	20	18.2 Å²	18.2	14%	0.14	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.9	173.2	-62.2	0	0	0	0	110.4	L63 C319	L63-S254 WeakPolarHBondContact CD1-OG 3.23Å; S254-C319 PolarHBondContact N-O 2.91Å; S254-C319 WeakPolarHBondContact O-CB 3Å
255	V	98.6	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.6	173.2	175.3	0	0	0	0	109.1	F253 F259 L260 M275 G276 H278	F253-V255 HydrophobicContact CD2-CG2 4.49Å; F253-V255 HydrophobicContact CE1-CG2 4.35Å; F253-V255 HydrophobicContact CE2-CG2 3.83Å; F253-V255 HydrophobicContact CZ-CG2 3.75Å; V255-F259 HydrophobicContact CG1-CB 4.22Å; V255-F259 HydrophobicContact CG1-CD1 3.93Å; V255-F259 HydrophobicContact CG1-CG 4.48Å; V255-F259 HydrophobicContact CG2-CD1 4.23Å; V255-L260 HydrophobicContact CG1-CD2 4.27Å; V255-M275 HydrophobicContact CB-CB 4.42Å; V255-M275 HydrophobicContact CG1-CB 4.05Å; V255-M275 HydrophobicContact CG1-CG 4.35Å; V255-M275 PolarHBondContact O-N 3.34Å; V255-G276 PolarHBondContact N-O 3.26Å; V255-H278 HydrophobicContact CG2-CB 3.37Å
256	Y	98.2	Very high	98.4	Very high	55 Å²	55	10.1 Å²	10.1	22%	0.216	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	158.6	168.6	-68	-92.9	0	0	0	109.9	D258 F259 H269 E273 M274	Y256-D258 WeakPolarHBondContact CB-OD1 3.46Å; Y256-D258 PolarHBondContact O-N 3.02Å; Y256-D258 VanDerWaalsContact O-N 3.14Å; Y256-F259 VanDerWaalsContact O-CB 3.28Å; Y256-F259 WeakPolarHBondContact O-CB 3.48Å; Y256-F259 PolarHBondContact O-N 3.15Å; Y256-H269 VanDerWaalsContact CB-CE1 3.5Å; Y256-H269 WeakPolarHBondContact CB-CE1 2.92Å; Y256-H269 VanDerWaalsContact CB-ND1 3.34Å; Y256-H269 WeakPolarHBondContact CB-ND1 3.29Å; Y256-H269 AromaticContact CD1-CE1 3.38Å; Y256-H269 WeakPolarHBondContact CD1-CE1 2.94Å; Y256-H269 AromaticContact CD1-ND1 3.97Å; Y256-H269 AromaticContact CD1-NE2 3.7Å; Y256-H269 HydrophobicContact CD2-CB 4.4Å; Y256-H269 AromaticContact CD2-CG 3.88Å; Y256-H269 AromaticContact CD2-ND1 3.81Å; Y256-H269 AromaticContact CE1-NE2 3.9Å; Y256-H269 AromaticContact CG-CE1 3.35Å; Y256-H269 AromaticContact CG-CG 3.97Å; Y256-H269 AromaticContact CG-ND1 3.44Å; Y256-H269 AromaticContact CG-NE2 3.91Å; Y256-E273 CarbonylContact C-O 3.47Å; Y256-E273 VanDerWaalsContact CA-O 3.24Å; Y256-E273 WeakPolarHBondContact CA-O 3.37Å; Y256-M274 HydrophobicContact CD1-CB 4.16Å; Y256-M274 HydrophobicContact CE1-CB 3.94Å; Y256-M274 HydrophobicContact CE1-CE 4.15Å; Y256-M274 HydrophobicContact CE2-CE 4.49Å; Y256-M274 VanDerWaalsContact OH-CE 3.29Å; Y256-M274 WeakPolarHBondContact OH-CE 3.46Å
257	S	97.1	Very high	98.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.3	-174.3	61.1	0	0	0	0	113.8	F259 L260 G272 E273	S257-F259 VanDerWaalsContact C-N 3.33Å; S257-F259 PolarHBondContact O-N 3.34Å; S257-L260 WeakPolarHBondContact O-CB 3.34Å; S257-L260 PolarHBondContact O-N 3.45Å; S257-G272 WeakPolarHBondContact OG-CA 3.43Å; S257-E273 PolarHBondContact N-O 3.31Å; S257-E273 PolarHBondContact OG-N 2.95Å
258	D	97.8	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.6	174.3	65.1	-8.2	0	0	0	113.4	V34 W41 Y256 L260 L261 Y267 H269 V270 T271	V34-D258 HydrophobicContact CG2-CB 4.19Å; W41-D258 HydrophobicContact CH2-CB 4.18Å; W41-D258 VanDerWaalsContact CH2-O 3.26Å; W41-D258 WeakPolarHBondContact CH2-O 3.3Å; W41-D258 HydrophobicContact CZ2-CB 4.35Å; Y256-D258 WeakPolarHBondContact CB-OD1 3.46Å; Y256-D258 PolarHBondContact O-N 3.02Å; Y256-D258 VanDerWaalsContact O-N 3.14Å; D258-L260 PolarHBondContact O-N 2.77Å; D258-L261 WeakPolarHBondContact O-CB 3.38Å; D258-L261 PolarHBondContact O-N 3.39Å; D258-Y267 PolarHBondContact OD1-OH 3.04Å; D258-H269 IonicContact OD1-ND1 2.82Å; D258-H269 PolarHBondContact OD1-ND1 3.28Å; D258-H269 VanDerWaalsContact OD1-ND1 3.13Å; D258-H269 IonicContact OD2-CE1 3.68Å; D258-H269 IonicContact OD2-CG 3.51Å; D258-H269 IonicContact OD2-ND1 3.38Å; D258-H269 PolarHBondContact OD2-ND1 2.88Å; D258-H269 VanDerWaalsContact OD2-ND1 3.17Å; D258-V270 PolarHBondContact OD2-N 3.35Å; D258-T271 VanDerWaalsContact CB-O 3.27Å; D258-T271 WeakPolarHBondContact CB-O 3.48Å; D258-T271 PolarHBondContact OD2-N 2.77Å; D258-T271 VanDerWaalsContact OD2-N 3.08Å
259	F	98.6	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-60.8	-33.8	177	-179.5	-105	0	0	0	112.7	F253 V255 Y256 S257 L261 Y262 Y267 W300 W304 F310	F253-F259 HydrophobicContact CE2-CD1 4.33Å; F253-F259 HydrophobicContact CE2-CD2 4.26Å; F253-F259 HydrophobicContact CE2-CE1 4.24Å; F253-F259 HydrophobicContact CE2-CE2 4.17Å; F253-F259 HydrophobicContact CE2-CG 4.32Å; F253-F259 HydrophobicContact CE2-CZ 4.15Å; F253-F259 HydrophobicContact CZ-CD1 4.15Å; F253-F259 HydrophobicContact CZ-CD2 4.5Å; F253-F259 AromaticContact CZ-CE1 3.66Å; F253-F259 HydrophobicContact CZ-CE1 3.66Å; F253-F259 HydrophobicContact CZ-CE2 4.05Å; F253-F259 AromaticContact CZ-CZ 3.59Å; F253-F259 HydrophobicContact CZ-CZ 3.59Å; V255-F259 HydrophobicContact CG1-CB 4.22Å; V255-F259 HydrophobicContact CG1-CD1 3.93Å; V255-F259 HydrophobicContact CG1-CG 4.48Å; V255-F259 HydrophobicContact CG2-CD1 4.23Å; Y256-F259 VanDerWaalsContact O-CB 3.28Å; Y256-F259 WeakPolarHBondContact O-CB 3.48Å; Y256-F259 PolarHBondContact O-N 3.15Å; S257-F259 VanDerWaalsContact C-N 3.33Å; S257-F259 PolarHBondContact O-N 3.34Å; F259-L261 PolarHBondContact O-N 3.09Å; F259-Y262 VanDerWaalsContact O-CB 3.31Å; F259-Y262 WeakPolarHBondContact O-CB 3.08Å; F259-Y262 PolarHBondContact O-N 2.81Å; F259-Y267 HydrophobicContact CB-CE1 4.24Å; F259-Y267 HydrophobicContact CB-CE2 3.84Å; F259-Y267 AromaticContact CD2-CD1 3.65Å; F259-Y267 HydrophobicContact CD2-CD1 3.65Å; F259-Y267 AromaticContact CD2-CD2 3.85Å; F259-Y267 HydrophobicContact CD2-CD2 3.85Å; F259-Y267 AromaticContact CD2-CE1 3.67Å; F259-Y267 HydrophobicContact CD2-CE1 3.67Å; F259-Y267 AromaticContact CD2-CE2 3.88Å; F259-Y267 HydrophobicContact CD2-CE2 3.88Å; F259-Y267 AromaticContact CD2-CG 3.74Å; F259-Y267 HydrophobicContact CD2-CG 3.74Å; F259-Y267 AromaticContact CD2-CZ 3.79Å; F259-Y267 HydrophobicContact CE2-CD1 4.16Å; F259-Y267 HydrophobicContact CE2-CG 4.25Å; F259-Y267 HydrophobicContact CG-CE1 4.34Å; F259-Y267 HydrophobicContact CG-CE2 4.38Å; F259-W300 HydrophobicContact CD1-CH2 4.02Å; F259-W300 HydrophobicContact CD1-CZ3 4.09Å; F259-W300 AromaticContact CE1-CH2 3.85Å; F259-W300 HydrophobicContact CE1-CH2 3.85Å; F259-W300 AromaticContact CE1-CZ3 3.82Å; F259-W300 HydrophobicContact CE1-CZ3 3.82Å; F259-W304 HydrophobicContact CD1-CZ2 4.19Å; F259-W304 AromaticContact CE1-CH2 3.77Å; F259-W304 HydrophobicContact CE1-CH2 3.77Å; F259-W304 AromaticContact CE1-CZ2 3.6Å; F259-W304 HydrophobicContact CE1-CZ2 3.6Å; F259-W304 HydrophobicContact CE2-CH2 4Å; F259-W304 HydrophobicContact CE2-CZ2 4.28Å; F259-W304 AromaticContact CZ-CH2 3.36Å; F259-W304 HydrophobicContact CZ-CH2 3.36Å; F259-W304 AromaticContact CZ-CZ2 3.66Å; F259-W304 HydrophobicContact CZ-CZ2 3.66Å; F259-W304 HydrophobicContact CZ-CZ3 4.5Å; F259-F310 AromaticContact CE2-CD2 3.59Å; F259-F310 HydrophobicContact CE2-CD2 3.59Å; F259-F310 AromaticContact CE2-CE2 3.64Å; F259-F310 HydrophobicContact CE2-CE2 3.64Å; F259-F310 HydrophobicContact CE2-CG 4.08Å; F259-F310 HydrophobicContact CE2-CZ 4.17Å; F259-F310 HydrophobicContact CZ-CD1 4.04Å; F259-F310 AromaticContact CZ-CD2 3.83Å; F259-F310 HydrophobicContact CZ-CD2 3.83Å; F259-F310 AromaticContact CZ-CE1 3.9Å; F259-F310 HydrophobicContact CZ-CE1 3.9Å; F259-F310 AromaticContact CZ-CE2 3.69Å; F259-F310 HydrophobicContact CZ-CE2 3.69Å; F259-F310 AromaticContact CZ-CG 3.98Å; F259-F310 HydrophobicContact CZ-CG 3.98Å; F259-F310 AromaticContact CZ-CZ 3.72Å; F259-F310 HydrophobicContact CZ-CZ 3.72Å
260	L	97.3	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-57.9	-21.6	177.8	-57.2	173.4	0	0	0	111.9	P25 N46 F47 L55 V255 S257 D258 M275 W300 W304	P25-L260 HydrophobicContact CB-CD1 4.42Å; N46-L260 WeakPolarHBondContact CB-O 3.26Å; N46-L260 PolarHBondContact ND2-O 2.82Å; F47-L260 HydrophobicContact CD2-CB 4.16Å; F47-L260 HydrophobicContact CE2-CB 4.06Å; F47-L260 HydrophobicContact CE2-CD2 4.14Å; L55-L260 HydrophobicContact CB-CD1 4.23Å; L55-L260 HydrophobicContact CD1-CD1 3.94Å; L55-L260 HydrophobicContact CD2-CD1 4.15Å; L55-L260 HydrophobicContact CG-CD1 4.34Å; V255-L260 HydrophobicContact CG1-CD2 4.27Å; S257-L260 WeakPolarHBondContact O-CB 3.34Å; S257-L260 PolarHBondContact O-N 3.45Å; D258-L260 PolarHBondContact O-N 2.77Å; L260-M275 HydrophobicContact CD1-CE 4.29Å; L260-M275 HydrophobicContact CD1-CG 4.24Å; L260-W300 HydrophobicContact CD2-CH2 3.87Å; L260-W300 HydrophobicContact CD2-CZ3 3.94Å; L260-W304 PolarHBondContact O-NE1 3.44Å
261	L	97.9	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-96.2	5.1	-178.8	-52.5	172.8	0	0	0	113.4	L30 V31 A43 G44 D258 F259 K263	L30-L261 HydrophobicContact CB-CD1 4.1Å; L30-L261 HydrophobicContact CD2-CD1 3.66Å; L30-L261 HydrophobicContact CG-CD1 3.54Å; V31-L261 HydrophobicContact CG2-CD1 3.72Å; V31-L261 HydrophobicContact CG2-CD2 3.99Å; V31-L261 HydrophobicContact CG2-CG 4.32Å; A43-L261 CarbonylContact C-O 3.59Å; A43-L261 VanDerWaalsContact CA-O 3.24Å; A43-L261 WeakPolarHBondContact CA-O 3.41Å; A43-L261 HydrophobicContact CB-CB 4.07Å; G44-L261 PolarHBondContact N-O 3.04Å; G44-L261 CarbonylContact O-C 3.52Å; G44-L261 VanDerWaalsContact O-CA 3.25Å; G44-L261 WeakPolarHBondContact O-CA 3.45Å; D258-L261 WeakPolarHBondContact O-CB 3.38Å; D258-L261 PolarHBondContact O-N 3.39Å; F259-L261 PolarHBondContact O-N 3.09Å; L261-K263 PolarHBondContact O-N 3.27Å
262	Y	98.6	Very high	97.9	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	131.9	-179.5	176.4	-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 4.08Å; N46-Y262 PolarHBondContact ND2-O 3.23Å; F259-Y262 VanDerWaalsContact O-CB 3.31Å; F259-Y262 WeakPolarHBondContact O-CB 3.08Å; F259-Y262 PolarHBondContact O-N 2.81Å; Y262-G265 VanDerWaalsContact CE2-O 3.27Å; Y262-G265 WeakPolarHBondContact CE2-O 3.4Å; Y262-G265 PolarHBondContact OH-O 3.08Å; Y262-W304 AromaticContact CD1-CH2 3.88Å; Y262-W304 HydrophobicContact CD1-CH2 3.88Å; Y262-W304 HydrophobicContact CD1-CZ2 4.36Å; Y262-W304 HydrophobicContact CD1-CZ3 4.27Å; Y262-W304 HydrophobicContact CG-CH2 4.3Å; Y262-G305 WeakPolarHBondContact O-CA 3.17Å; Y262-F310 HydrophobicContact CD1-CB 3.63Å; Y262-F310 HydrophobicContact CE1-CB 3.29Å; Y262-F310 HydrophobicContact CE2-CB 4.31Å; Y262-F310 HydrophobicContact CG-CB 4.28Å; Y262-K311 PolarHBondContact OH-N 2.56Å
263	K	98.3	Very high	97.7	Very high	65 Å²	65	21.1 Å²	21.1	28%	0.283	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-44.3	171.1	-68.2	-63.7	-174.4	-179.5	0	113.4	Q42 G44 H45 N46 L261 G305	Q42-K263 WeakPolarHBondContact O-CB 3.31Å; Q42-K263 PolarHBondContact O-N 3.05Å; Q42-K263 VanDerWaalsContact O-N 3.07Å; G44-K263 WeakPolarHBondContact O-CE 3.38Å; H45-K263 WeakPolarHBondContact O-CE 3.44Å; H45-K263 PolarHBondContact O-NZ 2.77Å; N46-K263 VanDerWaalsContact OD1-CE 3.26Å; N46-K263 WeakPolarHBondContact OD1-CE 3.16Å; N46-K263 PolarHBondContact OD1-NZ 2.98Å; L261-K263 PolarHBondContact O-N 3.27Å; K263-G305 CarbonylContact O-C 3.51Å
264	S	98.7	Very high	97.6	Very high	48 Å²	48	26 Å²	26	34%	0.336	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	170.8	-177.4	57.5	0	0	0	0	111.2	W41 Q42	W41-S264 VanDerWaalsContact CA-O 3.29Å; W41-S264 WeakPolarHBondContact CA-O 2.96Å; W41-S264 VanDerWaalsContact CB-O 3.24Å; W41-S264 WeakPolarHBondContact CB-O 3.31Å; Q42-S264 PolarHBondContact N-O 3.29Å; Q42-S264 PolarHBondContact OE1-OG 3.05Å
265	G	98.8	Very high	97.5	Very high	4 Å²	4	25.6 Å²	25.6	4%	0.041	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.8	-166.6	-176.4	0	0	0	0	0	113.1	T40 Y262 E288 K311	T40-G265 CarbonylContact O-C 3.53Å; T40-G265 WeakPolarHBondContact O-CA 3.2Å; Y262-G265 VanDerWaalsContact CE2-O 3.27Å; Y262-G265 WeakPolarHBondContact CE2-O 3.4Å; Y262-G265 PolarHBondContact OH-O 3.08Å; G265-E288 WeakPolarHBondContact CA-OE1 3.48Å; G265-K311 WeakPolarHBondContact O-CB 3.34Å
266	V	98.9	Very high	97.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.1	178.9	-175.9	0	0	0	0	109.5	T40 W41 Q268 E288 T291 Y293 K311 L313	T40-V266 CarbonylContact C-O 3.25Å; T40-V266 WeakPolarHBondContact CB-O 3.38Å; T40-V266 PolarHBondContact O-N 3.02Å; T40-V266 PolarHBondContact OG1-O 3.07Å; W41-V266 WeakPolarHBondContact CB-O 3.47Å; V266-Q268 PolarHBondContact O-N 3.36Å; V266-E288 HydrophobicContact CG2-CB 3.97Å; V266-T291 HydrophobicContact CB-CG2 4Å; V266-T291 HydrophobicContact CG1-CG2 3.81Å; V266-T291 HydrophobicContact CG2-CG2 4.25Å; V266-Y293 HydrophobicContact CG2-CD1 3.95Å; V266-Y293 HydrophobicContact CG2-CG 4.18Å; V266-K311 HydrophobicContact CG2-CB 4.36Å; V266-L313 HydrophobicContact CG1-CB 4.48Å
267	Y	98.9	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	131.1	179.6	174.7	-106.3	0	0	0	111.4	W41 D258 F259 H269 K311 I312 L313	W41-Y267 HydrophobicContact CD2-CD2 4Å; W41-Y267 AromaticContact CE2-CD2 3.67Å; W41-Y267 HydrophobicContact CE3-CD2 4.35Å; W41-Y267 HydrophobicContact CH2-CD2 4.1Å; W41-Y267 HydrophobicContact CH2-CE2 4.05Å; W41-Y267 AromaticContact CZ2-CD2 3.72Å; W41-Y267 HydrophobicContact CZ2-CD2 3.72Å; W41-Y267 AromaticContact CZ2-CE2 3.66Å; W41-Y267 HydrophobicContact CZ2-CE2 3.66Å; W41-Y267 HydrophobicContact CZ3-CD2 4.4Å; D258-Y267 PolarHBondContact OD1-OH 3.04Å; F259-Y267 HydrophobicContact CB-CE1 4.24Å; F259-Y267 HydrophobicContact CB-CE2 3.84Å; F259-Y267 AromaticContact CD2-CD1 3.65Å; F259-Y267 HydrophobicContact CD2-CD1 3.65Å; F259-Y267 AromaticContact CD2-CD2 3.85Å; F259-Y267 HydrophobicContact CD2-CD2 3.85Å; F259-Y267 AromaticContact CD2-CE1 3.67Å; F259-Y267 HydrophobicContact CD2-CE1 3.67Å; F259-Y267 AromaticContact CD2-CE2 3.88Å; F259-Y267 HydrophobicContact CD2-CE2 3.88Å; F259-Y267 AromaticContact CD2-CG 3.74Å; F259-Y267 HydrophobicContact CD2-CG 3.74Å; F259-Y267 AromaticContact CD2-CZ 3.79Å; F259-Y267 HydrophobicContact CE2-CD1 4.16Å; F259-Y267 HydrophobicContact CE2-CG 4.25Å; F259-Y267 HydrophobicContact CG-CE1 4.34Å; F259-Y267 HydrophobicContact CG-CE2 4.38Å; Y267-H269 HydrophobicContact CE1-CB 4.47Å; Y267-H269 WeakPolarHBondContact OH-CB 3.47Å; Y267-K311 VanDerWaalsContact CB-O 3.31Å; Y267-K311 WeakPolarHBondContact CB-O 3.36Å; Y267-K311 PolarHBondContact N-O 3.01Å; Y267-I312 HydrophobicContact CD1-CD1 3.9Å; Y267-I312 HydrophobicContact CD1-CG1 3.99Å; Y267-I312 HydrophobicContact CE1-CD1 4.37Å; Y267-L313 PolarHBondContact O-N 3.41Å
268	Q	98.6	Very high	97.5	Very high	57 Å²	57	24.3 Å²	24.3	27%	0.266	14%	0.137	S	C	.	.			trans	-137	126.6	167.5	-70.4	-174.4	73	0	0	107.6	T40 W41 V266 V270 L313 H318	T40-Q268 PolarHBondContact OG1-NE2 3.2Å; W41-Q268 PolarHBondContact NE1-O 2.89Å; V266-Q268 PolarHBondContact O-N 3.36Å; Q268-V270 WeakPolarHBondContact O-CG2 3.22Å; Q268-V270 PolarHBondContact O-N 2.98Å; Q268-L313 HydrophobicContact CG-CB 3.93Å; Q268-L313 HydrophobicContact CG-CD2 4.13Å; Q268-L313 HydrophobicContact CG-CG 4.43Å; Q268-H318 VanDerWaalsContact CA-NE2 3.31Å; Q268-H318 WeakPolarHBondContact CA-NE2 3.27Å
269	H	98.3	Very high	97.6	Very high	42 Å²	42	24.3 Å²	24.3	19%	0.194	14%	0.137	C	C	.	.			trans	-61.4	130.1	179.3	171.6	59.9	0	0	0	110.2	Y256 D258 Y267 T271 H318	Y256-H269 VanDerWaalsContact CB-CE1 3.5Å; Y256-H269 WeakPolarHBondContact CB-CE1 2.92Å; Y256-H269 VanDerWaalsContact CB-ND1 3.34Å; Y256-H269 WeakPolarHBondContact CB-ND1 3.29Å; Y256-H269 AromaticContact CD1-CE1 3.38Å; Y256-H269 WeakPolarHBondContact CD1-CE1 2.94Å; Y256-H269 AromaticContact CD1-ND1 3.97Å; Y256-H269 AromaticContact CD1-NE2 3.7Å; Y256-H269 HydrophobicContact CD2-CB 4.4Å; Y256-H269 AromaticContact CD2-CG 3.88Å; Y256-H269 AromaticContact CD2-ND1 3.81Å; Y256-H269 AromaticContact CE1-NE2 3.9Å; Y256-H269 AromaticContact CG-CE1 3.35Å; Y256-H269 AromaticContact CG-CG 3.97Å; Y256-H269 AromaticContact CG-ND1 3.44Å; Y256-H269 AromaticContact CG-NE2 3.91Å; D258-H269 IonicContact OD1-ND1 2.82Å; D258-H269 PolarHBondContact OD1-ND1 3.28Å; D258-H269 VanDerWaalsContact OD1-ND1 3.13Å; D258-H269 IonicContact OD2-CE1 3.68Å; D258-H269 IonicContact OD2-CG 3.51Å; D258-H269 IonicContact OD2-ND1 3.38Å; D258-H269 PolarHBondContact OD2-ND1 2.88Å; D258-H269 VanDerWaalsContact OD2-ND1 3.17Å; Y267-H269 HydrophobicContact CE1-CB 4.47Å; Y267-H269 WeakPolarHBondContact OH-CB 3.47Å; H269-T271 PolarHBondContact CE1-O 3.06Å; H269-T271 PolarHBondContact ND1-O 3.45Å; H269-H318 PolarHBondContact N-CE1 2.83Å; H269-H318 PolarHBondContact N-NE2 3.27Å
270	V	96.4	Very high	97.6	Very high	30 Å²	30	24.4 Å²	24.4	18%	0.182	14%	0.137	C	C	.	.			trans	-112.8	-49.4	-179.4	177.8	0	0	0	0	110.3	Y33 Q37 T39 D258 Q268	Y33-V270 HydrophobicContact CD1-CG1 4.5Å; Y33-V270 HydrophobicContact CE1-CG1 3.95Å; Q37-V270 HydrophobicContact CB-CG1 4.39Å; Q37-V270 HydrophobicContact CG-CG1 3.65Å; T39-V270 HydrophobicContact CG2-CG2 3.51Å; D258-V270 PolarHBondContact OD2-N 3.35Å; Q268-V270 WeakPolarHBondContact O-CG2 3.22Å; Q268-V270 PolarHBondContact O-N 2.98Å
271	T	95.7	Very high	97.7	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	14%	0.138	C	C	.	.	S	Bend	trans	-159	176.9	-173.3	-165.5	0	0	0	0	111.2	F23 L30 Y33 V34 D258 H269	F23-T271 HydrophobicContact CD2-CG2 4.33Å; F23-T271 HydrophobicContact CE2-CG2 4.38Å; L30-T271 HydrophobicContact CD1-CG2 3.35Å; Y33-T271 HydrophobicContact CD1-CG2 3.66Å; Y33-T271 HydrophobicContact CE1-CG2 3.77Å; V34-T271 HydrophobicContact CG2-CG2 4.49Å; D258-T271 VanDerWaalsContact CB-O 3.27Å; D258-T271 WeakPolarHBondContact CB-O 3.48Å; D258-T271 PolarHBondContact OD2-N 2.77Å; D258-T271 VanDerWaalsContact OD2-N 3.08Å; H269-T271 PolarHBondContact CE1-O 3.06Å; H269-T271 PolarHBondContact ND1-O 3.45Å
272	G	94.1	Very high	97.7	Very high	26 Å²	26	24.5 Å²	24.5	27%	0.268	14%	0.138	S	C	.	.			trans	103.3	161.1	178	0	0	0	0	0	113.4	S257	S257-G272 WeakPolarHBondContact OG-CA 3.43Å
273	E	93.9	Very high	97.7	Very high	92 Å²	92	24.4 Å²	24.4	43%	0.43	14%	0.137	S	C	.	.			trans	-78.5	155	179.4	66.2	-177.5	141.2	0	0	111.1	Y256 S257 M275	Y256-E273 CarbonylContact C-O 3.47Å; Y256-E273 VanDerWaalsContact CA-O 3.24Å; Y256-E273 WeakPolarHBondContact CA-O 3.37Å; S257-E273 PolarHBondContact N-O 3.31Å; S257-E273 PolarHBondContact OG-N 2.95Å; E273-M275 HydrophobicContact CG-SD 3.8Å; E273-M275 PolarHBondContact O-N 2.98Å
274	M	95.8	Very high	97.8	Very high	102 Å²	102	21.3 Å²	21.3	50%	0.502	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121	172.2	-176.9	178.1	-74.6	0	0	109.1	Y256	Y256-M274 HydrophobicContact CD1-CB 4.16Å; Y256-M274 HydrophobicContact CE1-CB 3.94Å; Y256-M274 HydrophobicContact CE1-CE 4.15Å; Y256-M274 HydrophobicContact CE2-CE 4.49Å; Y256-M274 VanDerWaalsContact OH-CE 3.29Å; Y256-M274 WeakPolarHBondContact OH-CE 3.46Å
275	M	96.5	Very high	97.8	Very high	12 Å²	12	19.1 Å²	19.1	6%	0.059	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-33	-179.3	-60.6	-56.5	-64.2	0	0	112	P25 V52 L55 K56 V255 L260 E273	P25-M275 HydrophobicContact CG-SD 4.49Å; V52-M275 HydrophobicContact CG1-CE 4.4Å; L55-M275 HydrophobicContact CB-CE 3.77Å; K56-M275 HydrophobicContact CG-CE 3.76Å; V255-M275 HydrophobicContact CB-CB 4.42Å; V255-M275 HydrophobicContact CG1-CB 4.05Å; V255-M275 HydrophobicContact CG1-CG 4.35Å; V255-M275 PolarHBondContact O-N 3.34Å; L260-M275 HydrophobicContact CD1-CE 4.29Å; L260-M275 HydrophobicContact CD1-CG 4.24Å; E273-M275 HydrophobicContact CG-SD 3.8Å; E273-M275 PolarHBondContact O-N 2.98Å
276	G	97.6	Very high	97.8	Very high	19 Å²	19	19 Å²	19	20%	0.196	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.5	-173.1	178.1	0	0	0	0	0	112.4	V255	V255-G276 PolarHBondContact N-O 3.26Å
277	G	98.5	Very high	97.8	Very high	8 Å²	8	21.8 Å²	21.8	8%	0.082	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.4	169.5	0	0	0	0	0	111.1	C59 G60 T61	C59-G277 CarbonylContact C-O 3.53Å; C59-G277 VanDerWaalsContact CA-O 3.31Å; C59-G277 WeakPolarHBondContact CA-O 3.49Å; C59-G277 VanDerWaalsContact O-O 3.08Å; G60-G277 PolarHBondContact N-O 3.49Å; T61-G277 PolarHBondContact N-O 3.45Å; T61-G277 WeakPolarHBondContact O-CA 3.32Å
278	H	98.8	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131	178.8	-172	55.1	0	0	0	110.7	L58 Q102 C108 A252 F253 V255 N298 S299 W300	L58-H278 PolarHBondContact O-ND1 3.23Å; Q102-H278 PolarHBondContact OE1-CE1 3.12Å; C108-H278 WeakPolarHBondContact CB-CE1 3.43Å; C108-H278 VanDerWaalsContact CB-ND1 3.29Å; C108-H278 WeakPolarHBondContact CB-ND1 3.49Å; C108-H278 PolarHBondContact SG-ND1 3.39Å; A252-H278 CarbonylContact C-O 3.59Å; A252-H278 VanDerWaalsContact CA-O 3.24Å; A252-H278 WeakPolarHBondContact CA-O 3.48Å; F253-H278 HydrophobicContact CE1-CB 4.26Å; F253-H278 AromaticContact CE1-CD2 3.97Å; F253-H278 PolarHBondContact N-O 2.8Å; F253-H278 PolarHBondContact O-N 3.28Å; V255-H278 HydrophobicContact CG2-CB 3.37Å; H278-N298 PolarHBondContact NE2-OD1 2.69Å; H278-S299 PolarHBondContact CE1-OG 2.93Å; H278-W300 AromaticContact CD2-CZ2 3.79Å; H278-W300 AromaticContact CE1-CE2 3.64Å; H278-W300 AromaticContact CE1-CZ2 3.7Å; H278-W300 AromaticContact CE1-NE1 3.26Å; H278-W300 PolarHBondContact CE1-NE1 3.04Å; H278-W300 VanDerWaalsContact CE1-NE1 3.26Å; H278-W300 AromaticContact ND1-CZ2 3.98Å; H278-W300 AromaticContact NE2-CE2 3.62Å; H278-W300 AromaticContact NE2-CZ2 3.57Å; H278-W300 AromaticContact NE2-NE1 3.61Å
279	A	98.8	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.7	175.4	0	0	0	0	0	110.5	T61 P155 G251 A252	T61-A279 HydrophobicContact CG2-CB 4.27Å; T61-A279 WeakPolarHBondContact OG1-CB 3.45Å; T61-A279 PolarHBondContact OG1-N 3.35Å; T61-A279 VanDerWaalsContact OG1-N 3.12Å; P155-A279 HydrophobicContact CG-CB 4.07Å; G251-A279 CarbonylContact O-C 3.53Å; G251-A279 VanDerWaalsContact O-CA 3.26Å; G251-A279 WeakPolarHBondContact O-CA 3.43Å; A252-A279 HydrophobicContact CB-CB 4.41Å
280	I	98.9	Very high	97.7	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	170.7	-171.4	49.8	66.5	0	0	0	110.9	E250 G251 F253 I282 V296 F310 I321	E250-I280 WeakPolarHBondContact CA-O 3.05Å; G251-I280 PolarHBondContact N-O 3.03Å; G251-I280 PolarHBondContact O-N 3.18Å; F253-I280 HydrophobicContact CD1-CG1 4.03Å; F253-I280 HydrophobicContact CD1-CG2 4.41Å; F253-I280 HydrophobicContact CE1-CG1 4.13Å; F253-I280 HydrophobicContact CE1-CG2 3.75Å; I280-I282 HydrophobicContact CD1-CD1 4.03Å; I280-I282 HydrophobicContact CD1-CG1 3.35Å; I280-V296 HydrophobicContact CB-CG1 3.52Å; I280-V296 HydrophobicContact CD1-CG1 3.69Å; I280-V296 HydrophobicContact CG1-CG1 3.64Å; I280-V296 HydrophobicContact CG2-CG1 4.1Å; I280-F310 HydrophobicContact CG2-CE1 4.14Å; I280-F310 HydrophobicContact CG2-CZ 4.17Å; I280-I321 HydrophobicContact CD1-CD1 3.88Å; I280-I321 HydrophobicContact CG1-CD1 4.01Å
281	R	98.9	Very high	97.8	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.1	171.5	178.3	174.3	62.9	102.4	2.1	110.7	I96 E98 E115 A116 D119 P248 V249 V296 A297	I96-R281 PolarHBondContact O-NH1 3.35Å; I96-R281 PolarHBondContact O-NH2 3.3Å; E98-R281 PolarHBondContact O-NH2 2.81Å; E98-R281 VanDerWaalsContact O-NH2 3.07Å; E115-R281 IonicContact OE2-NE 2.82Å; E115-R281 PolarHBondContact OE2-NE 2.99Å; A116-R281 HydrophobicContact CB-CG 4.35Å; D119-R281 WeakPolarHBondContact OD2-CD 3.34Å; D119-R281 IonicContact OD2-CZ 3.91Å; D119-R281 IonicContact OD2-NE 2.8Å; D119-R281 IonicContact OD2-NH1 3Å; D119-R281 PolarHBondContact OD2-NH1 3.01Å; P248-R281 HydrophobicContact CB-CG 3.82Å; V249-R281 CarbonylContact O-C 3.43Å; V249-R281 WeakPolarHBondContact O-CA 3.45Å; R281-V296 WeakPolarHBondContact O-CA 3.45Å; R281-V296 WeakPolarHBondContact O-CG1 3.45Å; R281-A297 HydrophobicContact CB-CB 4.36Å; R281-A297 PolarHBondContact N-O 3.34Å; R281-A297 PolarHBondContact O-N 3.11Å
282	I	98.9	Very high	97.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.8	175	-46.5	176.6	0	0	0	108.5	I243 P248 V249 I280 W294 V296 I321 V325	I243-I282 HydrophobicContact CD1-CB 4.15Å; I243-I282 HydrophobicContact CD1-CG2 3.67Å; P248-I282 VanDerWaalsContact CA-O 3.25Å; P248-I282 WeakPolarHBondContact CA-O 3.42Å; P248-I282 WeakPolarHBondContact CB-O 3.49Å; V249-I282 HydrophobicContact CG2-CB 3.85Å; V249-I282 HydrophobicContact CG2-CD1 4.33Å; V249-I282 HydrophobicContact CG2-CG1 4.34Å; V249-I282 PolarHBondContact N-O 2.85Å; V249-I282 PolarHBondContact O-N 3.32Å; I280-I282 HydrophobicContact CD1-CD1 4.03Å; I280-I282 HydrophobicContact CD1-CG1 3.35Å; I282-W294 HydrophobicContact CG2-CB 4.17Å; I282-W294 HydrophobicContact CG2-CD2 4.22Å; I282-W294 HydrophobicContact CG2-CE3 3.82Å; I282-W294 HydrophobicContact CG2-CG 4.41Å; I282-V296 HydrophobicContact CG1-CG2 4.39Å; I282-V296 HydrophobicContact CG2-CG2 4.5Å; I282-I321 HydrophobicContact CD1-CG1 4.46Å; I282-V325 HydrophobicContact CD1-CG2 4.29Å
283	L	98.9	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	2	-173	67.3	144.4	0	0	0	114.3	A86 R87 I96 P248 L295 A297 F309	A86-L283 HydrophobicContact CB-CB 4.17Å; A86-L283 WeakPolarHBondContact CB-O 3.33Å; A86-L283 PolarHBondContact N-O 2.96Å; R87-L283 HydrophobicContact CG-CD1 3.81Å; I96-L283 HydrophobicContact CG2-CD1 4.23Å; P248-L283 HydrophobicContact CB-CB 4.09Å; P248-L283 HydrophobicContact CG-CB 3.79Å; L283-L295 HydrophobicContact CD1-CD2 4.06Å; L283-L295 HydrophobicContact CD1-CG 4.42Å; L283-L295 HydrophobicContact CD2-CG 4.25Å; L283-L295 HydrophobicContact CG-CD2 4.08Å; L283-L295 HydrophobicContact CG-CG 4.04Å; L283-L295 PolarHBondContact N-O 2.86Å; L283-A297 HydrophobicContact CD2-CB 3.79Å; L283-F309 HydrophobicContact CD1-CE1 4.07Å; L283-F309 HydrophobicContact CD2-CD1 4.2Å; L283-F309 HydrophobicContact CD2-CE1 4.15Å
284	G	98.9	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-174.2	179.6	0	0	0	0	0	114.1	F84 L295	F84-G284 CarbonylContact O-C 3.48Å; F84-G284 WeakPolarHBondContact O-CA 3.49Å; G284-L295 PolarHBondContact N-O 3.44Å; G284-L295 PolarHBondContact O-N 3.29Å
285	W	98.9	Very high	98.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	166.6	177.1	64.1	87.2	0	0	0	110.7	L80 P81 E82 S83 F84 M240 I243 Y244 Y293 W294	L80-W285 HydrophobicContact CB-CZ2 4.44Å; L80-W285 HydrophobicContact CD2-CH2 4.47Å; L80-W285 HydrophobicContact CD2-CZ2 4.47Å; P81-W285 HydrophobicContact CG-CZ2 3.98Å; P81-W285 PolarHBondContact O-NE1 3Å; E82-W285 VanDerWaalsContact O-CD1 3.27Å; S83-W285 CarbonylContact C-O 3.59Å; S83-W285 WeakPolarHBondContact CA-O 3.48Å; F84-W285 HydrophobicContact CB-CD2 3.71Å; F84-W285 VanDerWaalsContact CB-CE2 3.41Å; F84-W285 HydrophobicContact CB-CE3 3.83Å; F84-W285 HydrophobicContact CB-CH2 3.4Å; F84-W285 VanDerWaalsContact CB-CH2 3.4Å; F84-W285 HydrophobicContact CB-CZ2 3.3Å; F84-W285 HydrophobicContact CB-CZ3 3.68Å; F84-W285 HydrophobicContact CD1-CE3 4.05Å; F84-W285 AromaticContact CD1-CH2 3.73Å; F84-W285 HydrophobicContact CD1-CH2 3.73Å; 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 4.11Å; F84-W285 HydrophobicContact CD2-CZ2 4.49Å; F84-W285 HydrophobicContact CE1-CZ3 4.28Å; F84-W285 HydrophobicContact CG-CE3 4.27Å; F84-W285 AromaticContact CG-CH2 3.47Å; F84-W285 HydrophobicContact CG-CH2 3.47Å; F84-W285 VanDerWaalsContact CG-CH2 3.47Å; F84-W285 AromaticContact CG-CZ2 3.89Å; F84-W285 HydrophobicContact CG-CZ2 3.89Å; F84-W285 AromaticContact CG-CZ3 3.69Å; F84-W285 HydrophobicContact CG-CZ3 3.69Å; F84-W285 PolarHBondContact N-O 3.49Å; F84-W285 PolarHBondContact O-N 3.09Å; M240-W285 HydrophobicContact CB-CD2 4.37Å; M240-W285 HydrophobicContact CB-CE3 4.22Å; M240-W285 HydrophobicContact CB-CH2 4.11Å; M240-W285 HydrophobicContact CB-CZ2 4.22Å; M240-W285 HydrophobicContact CB-CZ3 4.11Å; M240-W285 HydrophobicContact CE-CD2 4.07Å; M240-W285 VanDerWaalsContact CE-CE2 3.48Å; M240-W285 HydrophobicContact CE-CG 4.18Å; M240-W285 HydrophobicContact CE-CZ2 3.95Å; M240-W285 HydrophobicContact CG-CD2 3.94Å; M240-W285 HydrophobicContact CG-CE3 4.1Å; M240-W285 HydrophobicContact CG-CG 4.35Å; M240-W285 HydrophobicContact CG-CZ3 4.49Å; M240-W285 WeakPolarHBondContact O-CH2 3.36Å; M240-W285 WeakPolarHBondContact O-CZ3 3.5Å; I243-W285 HydrophobicContact CB-CZ3 4.03Å; I243-W285 HydrophobicContact CG2-CZ3 3.94Å; Y244-W285 HydrophobicContact CD2-CH2 4.19Å; W285-Y293 VanDerWaalsContact CA-O 3.24Å; W285-Y293 WeakPolarHBondContact CA-O 3.43Å; W285-Y293 VanDerWaalsContact CB-O 3.3Å; W285-Y293 WeakPolarHBondContact CB-O 3.32Å; W285-W294 HydrophobicContact CB-CE3 3.89Å; W285-W294 HydrophobicContact CB-CZ3 4.04Å; W285-W294 HydrophobicContact CE3-CZ3 4.16Å
286	G	98.9	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	-166.5	171.7	0	0	0	0	0	111.8	P292 Y293 R314	G286-P292 WeakPolarHBondContact O-CA 3.45Å; G286-Y293 PolarHBondContact N-O 3.29Å; G286-Y293 VanDerWaalsContact N-O 3.11Å; G286-Y293 WeakPolarHBondContact O-CD1 3.06Å; G286-Y293 PolarHBondContact O-N 3.4Å; G286-R314 PolarHBondContact O-NH2 2.92Å
287	V	98.8	Very high	98.7	Very high	61 Å²	61	22 Å²	22	37%	0.37	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.9	174.3	-178.1	0	0	0	0	107.8	E82 T291	E82-V287 HydrophobicContact CG-CG2 4.2Å; V287-T291 WeakPolarHBondContact CA-O 3.15Å
288	E	98.6	Very high	98.8	Very high	52 Å²	52	21.7 Å²	21.7	24%	0.243	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.1	176.8	-174.5	173.8	126	0	0	109.2	G265 V266 G290 T291 Y293 K311	G265-E288 WeakPolarHBondContact CA-OE1 3.48Å; V266-E288 HydrophobicContact CG2-CB 3.97Å; E288-G290 PolarHBondContact O-N 2.96Å; E288-G290 VanDerWaalsContact O-N 3.16Å; E288-T291 PolarHBondContact N-O 2.77Å; E288-T291 WeakPolarHBondContact O-CB 3.47Å; E288-T291 PolarHBondContact O-N 3.15Å; E288-Y293 HydrophobicContact CB-CD1 3.94Å; E288-Y293 HydrophobicContact CB-CE1 3.85Å; E288-K311 IonicContact OE2-NZ 2.64Å; E288-K311 PolarHBondContact OE2-NZ 3.02Å
289	N	97.5	Very high	98.7	Very high	158 Å²	158	21.9 Å²	21.9	85%	0.845	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	40.5	-177.7	-59.4	-39.2	0	0	0	113.1	T291	N289-T291 VanDerWaalsContact C-N 3.29Å; N289-T291 PolarHBondContact O-N 3.41Å
290	G	98.1	Very high	98.7	Very high	68 Å²	68	21.9 Å²	21.9	70%	0.701	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	-0.9	-177.5	0	0	0	0	0	115.3	E288	E288-G290 PolarHBondContact O-N 2.96Å; E288-G290 VanDerWaalsContact O-N 3.16Å
291	T	98.8	Very high	98.5	Very high	20 Å²	20	22.6 Å²	22.6	12%	0.123	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.9	-180	-49.7	0	0	0	0	110.6	T40 V266 V287 E288 N289 L313	T40-T291 HydrophobicContact CG2-CG2 4Å; T40-T291 VanDerWaalsContact CG2-OG1 3.3Å; T40-T291 WeakPolarHBondContact CG2-OG1 3.43Å; V266-T291 HydrophobicContact CB-CG2 4Å; V266-T291 HydrophobicContact CG1-CG2 3.81Å; V266-T291 HydrophobicContact CG2-CG2 4.25Å; V287-T291 WeakPolarHBondContact CA-O 3.15Å; E288-T291 PolarHBondContact N-O 2.77Å; E288-T291 WeakPolarHBondContact O-CB 3.47Å; E288-T291 PolarHBondContact O-N 3.15Å; N289-T291 VanDerWaalsContact C-N 3.29Å; N289-T291 PolarHBondContact O-N 3.41Å; T291-L313 HydrophobicContact CG2-CD1 3.71Å
292	P	98.8	Very high	98.4	Very high	42 Å²	42	26 Å²	26	27%	0.273	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.4	176.3	29.6	-34.2	0	0	0	110.9	G286 R314	G286-P292 WeakPolarHBondContact O-CA 3.45Å; P292-R314 HydrophobicContact CB-CB 4.4Å; P292-R314 PolarHBondContact O-N 3.39Å
293	Y	98.9	Very high	98.1	Very high	34 Å²	34	28.3 Å²	28.3	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.9	-179.3	68.8	-98.6	0	0	0	113.6	V266 W285 G286 E288 L295 K311 I312 R314	V266-Y293 HydrophobicContact CG2-CD1 3.95Å; V266-Y293 HydrophobicContact CG2-CG 4.18Å; W285-Y293 VanDerWaalsContact CA-O 3.24Å; W285-Y293 WeakPolarHBondContact CA-O 3.43Å; W285-Y293 VanDerWaalsContact CB-O 3.3Å; W285-Y293 WeakPolarHBondContact CB-O 3.32Å; G286-Y293 PolarHBondContact N-O 3.29Å; G286-Y293 VanDerWaalsContact N-O 3.11Å; G286-Y293 WeakPolarHBondContact O-CD1 3.06Å; G286-Y293 PolarHBondContact O-N 3.4Å; E288-Y293 HydrophobicContact CB-CD1 3.94Å; E288-Y293 HydrophobicContact CB-CE1 3.85Å; Y293-L295 HydrophobicContact CE2-CB 4.24Å; Y293-K311 HydrophobicContact CD1-CD 4.18Å; Y293-K311 HydrophobicContact CD2-CB 3.84Å; Y293-K311 HydrophobicContact CD2-CD 3.89Å; Y293-K311 HydrophobicContact CD2-CG 3.59Å; Y293-K311 HydrophobicContact CE1-CD 4.13Å; Y293-K311 HydrophobicContact CE2-CD 3.87Å; Y293-K311 HydrophobicContact CE2-CG 3.84Å; Y293-K311 HydrophobicContact CG-CB 3.94Å; Y293-K311 HydrophobicContact CG-CD 4.08Å; Y293-K311 HydrophobicContact CG-CG 4.06Å; Y293-I312 CarbonylContact C-O 2.97Å; Y293-I312 WeakPolarHBondContact CA-O 3.47Å; Y293-R314 PolarHBondContact O-NE 2.84Å
294	W	98.9	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.6	159.6	-66.7	115.9	0	0	0	110	E236 I239 M240 I243 I282 W285 V296 K311 I312 R314 E322	E236-W294 HydrophobicContact CG-CZ2 4.17Å; I239-W294 HydrophobicContact CB-CH2 3.74Å; I239-W294 HydrophobicContact CB-CZ2 4.09Å; I239-W294 HydrophobicContact CD1-CZ2 4.43Å; I239-W294 HydrophobicContact CG2-CH2 3.49Å; I239-W294 VanDerWaalsContact CG2-CH2 3.49Å; I239-W294 HydrophobicContact CG2-CZ2 3.92Å; I239-W294 HydrophobicContact CG2-CZ3 3.95Å; M240-W294 HydrophobicContact CB-CH2 4.44Å; M240-W294 HydrophobicContact CG-CH2 3.53Å; M240-W294 HydrophobicContact CG-CZ3 3.81Å; I243-W294 HydrophobicContact CD1-CZ3 4.13Å; I282-W294 HydrophobicContact CG2-CB 4.17Å; I282-W294 HydrophobicContact CG2-CD2 4.22Å; I282-W294 HydrophobicContact CG2-CE3 3.82Å; I282-W294 HydrophobicContact CG2-CG 4.41Å; W285-W294 HydrophobicContact CB-CE3 3.89Å; W285-W294 HydrophobicContact CB-CZ3 4.04Å; W285-W294 HydrophobicContact CE3-CZ3 4.16Å; W294-V296 HydrophobicContact CB-CG2 3.94Å; W294-K311 VanDerWaalsContact O-CA 3.26Å; W294-K311 WeakPolarHBondContact O-CA 3.46Å; W294-I312 HydrophobicContact CB-CG2 4.01Å; W294-I312 PolarHBondContact N-O 2.88Å; W294-I312 PolarHBondContact O-N 2.99Å; W294-R314 HydrophobicContact CD2-CB 4.15Å; W294-R314 HydrophobicContact CD2-CG 3.99Å; W294-R314 VanDerWaalsContact CE2-CG 3.45Å; W294-R314 HydrophobicContact CG-CB 3.99Å; W294-R314 HydrophobicContact CG-CG 4.37Å; W294-R314 HydrophobicContact CH2-CG 4.42Å; W294-R314 HydrophobicContact CZ2-CG 3.7Å; W294-E322 HydrophobicContact CZ2-CG 4.28Å; W294-E322 PolarHBondContact NE1-OE1 2.87Å
295	L	98.9	Very high	98	Very high	13 Å²	13	29 Å²	29	7%	0.068	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.9	170.1	176.6	64.5	0	0	0	108.5	D85 L283 G284 Y293	D85-L295 HydrophobicContact CB-CD2 4.37Å; D85-L295 WeakPolarHBondContact OD2-CD2 3.44Å; L283-L295 HydrophobicContact CD1-CD2 4.06Å; L283-L295 HydrophobicContact CD1-CG 4.42Å; L283-L295 HydrophobicContact CD2-CG 4.25Å; L283-L295 HydrophobicContact CG-CD2 4.08Å; L283-L295 HydrophobicContact CG-CG 4.04Å; L283-L295 PolarHBondContact N-O 2.86Å; G284-L295 PolarHBondContact N-O 3.44Å; G284-L295 PolarHBondContact O-N 3.29Å; Y293-L295 HydrophobicContact CE2-CB 4.24Å
296	V	98.9	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.8	-168.8	-171.4	0	0	0	0	110.5	I280 R281 I282 W294 F309 F310 I312	I280-V296 HydrophobicContact CB-CG1 3.52Å; I280-V296 HydrophobicContact CD1-CG1 3.69Å; I280-V296 HydrophobicContact CG1-CG1 3.64Å; I280-V296 HydrophobicContact CG2-CG1 4.1Å; R281-V296 WeakPolarHBondContact O-CA 3.45Å; R281-V296 WeakPolarHBondContact O-CG1 3.45Å; I282-V296 HydrophobicContact CG1-CG2 4.39Å; I282-V296 HydrophobicContact CG2-CG2 4.5Å; W294-V296 HydrophobicContact CB-CG2 3.94Å; V296-F309 CarbonylContact O-C 3.51Å; V296-F309 VanDerWaalsContact O-CA 3.29Å; V296-F309 WeakPolarHBondContact O-CA 3.07Å; 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 4.19Å; V296-F310 HydrophobicContact CG1-CE1 3.35Å; V296-F310 HydrophobicContact CG1-CE2 4.19Å; V296-F310 HydrophobicContact CG1-CZ 3.36Å; V296-F310 HydrophobicContact CG2-CE2 4.23Å; V296-F310 HydrophobicContact CG2-CZ 4.19Å; V296-F310 PolarHBondContact N-O 3.45Å; V296-F310 PolarHBondContact O-N 2.59Å; V296-I312 HydrophobicContact CG2-CG2 3.97Å
297	A	98.9	Very high	97.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.8	169.5	0	0	0	0	0	109.5	I99 R281 L283 F309	I99-A297 HydrophobicContact CD1-CB 3.65Å; R281-A297 HydrophobicContact CB-CB 4.36Å; R281-A297 PolarHBondContact N-O 3.34Å; R281-A297 PolarHBondContact O-N 3.11Å; L283-A297 HydrophobicContact CD2-CB 3.79Å; A297-F309 HydrophobicContact CB-CD1 3.97Å; A297-F309 HydrophobicContact CB-CE1 3.84Å
298	N	98.8	Very high	97.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	21%	0.206	C	C	.	.			trans	-97.2	168.8	175	-157.9	1	0	0	0	110.7	H278 W300 W304 G308 F310	H278-N298 PolarHBondContact NE2-OD1 2.69Å; N298-W300 VanDerWaalsContact ND2-CD2 3.27Å; N298-W304 HydrophobicContact CB-CE3 3.97Å; N298-W304 HydrophobicContact CB-CZ3 3.84Å; N298-W304 VanDerWaalsContact ND2-CE3 3.27Å; N298-W304 WeakPolarHBondContact ND2-CH2 3.44Å; N298-W304 VanDerWaalsContact ND2-CZ3 3.25Å; N298-W304 WeakPolarHBondContact ND2-CZ3 3.32Å; N298-G308 VanDerWaalsContact CB-O 3.25Å; N298-G308 WeakPolarHBondContact CB-O 3.33Å; N298-G308 PolarHBondContact N-O 2.97Å; N298-F310 HydrophobicContact CB-CD1 4.2Å; N298-F310 HydrophobicContact CB-CE1 4.19Å
299	S	98.3	Very high	97.9	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.021	20%	0.198	C	C	.	.	S	Bend	trans	-113.5	27.5	-179.4	54.3	0	0	0	0	112.8	R100 D101 Q102 H278	R100-S299 CarbonylContact O-C 3.5Å; R100-S299 VanDerWaalsContact O-C 3.25Å; R100-S299 WeakPolarHBondContact O-CA 3.31Å; D101-S299 WeakPolarHBondContact CA-O 3.28Å; Q102-S299 WeakPolarHBondContact CG-O 3.09Å; Q102-S299 PolarHBondContact N-O 3.41Å; Q102-S299 PolarHBondContact OE1-OG 2.75Å; H278-S299 PolarHBondContact CE1-OG 2.93Å
300	W	97.4	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-116.4	37.1	-177.7	-53.9	-20.7	0	0	0	111.9	F47 L58 Q102 F259 L260 H278 N298 W304	F47-W300 HydrophobicContact CE2-CE3 4.38Å; F47-W300 HydrophobicContact CE2-CZ3 4.49Å; F47-W300 HydrophobicContact CZ-CD2 4.42Å; F47-W300 AromaticContact CZ-CE3 3.83Å; F47-W300 HydrophobicContact CZ-CE3 3.83Å; F47-W300 HydrophobicContact CZ-CZ3 4.3Å; L58-W300 HydrophobicContact CB-CZ2 3.93Å; L58-W300 HydrophobicContact CD1-CD2 4.1Å; L58-W300 HydrophobicContact CD1-CG 4.32Å; L58-W300 HydrophobicContact CD1-CZ2 4.49Å; Q102-W300 VanDerWaalsContact OE1-CD1 3.3Å; Q102-W300 VanDerWaalsContact OE1-NE1 3.12Å; F259-W300 HydrophobicContact CD1-CH2 4.02Å; F259-W300 HydrophobicContact CD1-CZ3 4.09Å; F259-W300 AromaticContact CE1-CH2 3.85Å; F259-W300 HydrophobicContact CE1-CH2 3.85Å; F259-W300 AromaticContact CE1-CZ3 3.82Å; F259-W300 HydrophobicContact CE1-CZ3 3.82Å; L260-W300 HydrophobicContact CD2-CH2 3.87Å; L260-W300 HydrophobicContact CD2-CZ3 3.94Å; H278-W300 AromaticContact CD2-CZ2 3.79Å; H278-W300 AromaticContact CE1-CE2 3.64Å; H278-W300 AromaticContact CE1-CZ2 3.7Å; H278-W300 AromaticContact CE1-NE1 3.26Å; H278-W300 PolarHBondContact CE1-NE1 3.04Å; H278-W300 VanDerWaalsContact CE1-NE1 3.26Å; H278-W300 AromaticContact ND1-CZ2 3.98Å; H278-W300 AromaticContact NE2-CE2 3.62Å; H278-W300 AromaticContact NE2-CZ2 3.57Å; H278-W300 AromaticContact NE2-NE1 3.61Å; N298-W300 VanDerWaalsContact ND2-CD2 3.27Å; W300-W304 HydrophobicContact CB-CB 4.33Å; W300-W304 HydrophobicContact CB-CG 4.42Å; W300-W304 AromaticContact CE3-CD1 3.78Å; W300-W304 AromaticContact CE3-CD2 3.99Å; W300-W304 HydrophobicContact CE3-CD2 3.99Å; W300-W304 AromaticContact CE3-CE2 3.68Å; W300-W304 HydrophobicContact CE3-CG 4.09Å; W300-W304 HydrophobicContact CE3-CZ2 4.21Å; W300-W304 AromaticContact CE3-NE1 3.55Å; 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 3.72Å
301	N	95.8	Very high	98	Very high	19 Å²	19	23.9 Å²	23.9	10%	0.102	13%	0.132	C	C	.	.			trans	67.4	172.7	179.2	-143.5	-46.6	0	0	0	114.2	R100 D101 R195 D303 G308	R100-N301 PolarHBondContact O-N 2.99Å; D101-N301 HydrophobicContact CB-CB 4.03Å; D101-N301 WeakPolarHBondContact OD2-CB 3.02Å; D101-N301 PolarHBondContact OD2-ND2 2.89Å; R195-N301 PolarHBondContact NH1-ND2 2.03Å; R195-N301 VanDerWaalsContact NH1-ND2 3.17Å; R195-N301 PolarHBondContact NH2-ND2 3.29Å; R195-N301 VanDerWaalsContact NH2-ND2 3.19Å; R195-N301 PolarHBondContact NH2-OD1 2.65Å; N301-D303 WeakPolarHBondContact CB-OD1 3.32Å; N301-G308 VanDerWaalsContact O-CA 3.29Å; N301-G308 WeakPolarHBondContact O-CA 3.18Å
302	T	95.9	Very high	98	Very high	71 Å²	71	23 Å²	23	44%	0.436	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.9	-173.1	53.4	0	0	0	0	114.2	I99 N307 G308	I99-T302 HydrophobicContact CB-CG2 3.69Å; I99-T302 HydrophobicContact CG1-CG2 4.28Å; I99-T302 HydrophobicContact CG2-CG2 3.83Å; T302-N307 CarbonylContact O-C 3.56Å; T302-N307 VanDerWaalsContact O-C 3.27Å; T302-N307 WeakPolarHBondContact O-CA 3.03Å; T302-G308 PolarHBondContact O-N 2.92Å
303	D	93.8	Very high	98	Very high	49 Å²	49	21.1 Å²	21.1	26%	0.262	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-18	179.4	46.7	11.4	0	0	0	113	H189 H190 R195 N301	H189-D303 IonicContact CE1-OD1 3.65Å; H190-D303 HydrophobicContact CB-CB 4.28Å; H190-D303 IonicContact CD2-OD1 3.7Å; H190-D303 PolarHBondContact CD2-OD1 3.42Å; H190-D303 IonicContact CD2-OD2 2.84Å; H190-D303 PolarHBondContact CE1-O 3.39Å; H190-D303 VanDerWaalsContact NE2-C 3.34Å; H190-D303 PolarHBondContact NE2-O 2.7Å; H190-D303 IonicContact NE2-OD1 3.41Å; R195-D303 IonicContact CZ-OD2 2.81Å; R195-D303 IonicContact NH1-OD2 2.79Å; R195-D303 PolarHBondContact NH1-OD2 2.64Å; R195-D303 IonicContact NH2-OD2 3.62Å; N301-D303 WeakPolarHBondContact CB-OD1 3.32Å
304	W	96.8	Very high	98	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-79.9	139.2	172.3	-177.7	94.2	0	0	0	112	N46 F47 H190 F259 L260 Y262 N298 W300 G308 F310	N46-W304 VanDerWaalsContact CB-CD1 3.46Å; N46-W304 HydrophobicContact CB-CG 4.39Å; N46-W304 PolarHBondContact ND2-NE1 2.78Å; F47-W304 AromaticContact CE2-CD1 3.59Å; F47-W304 AromaticContact CE2-NE1 3.7Å; F47-W304 AromaticContact CZ-CD1 3.66Å; H190-W304 WeakPolarHBondContact NE2-CA 3.08Å; H190-W304 PolarHBondContact NE2-N 2.87Å; F259-W304 HydrophobicContact CD1-CZ2 4.19Å; F259-W304 AromaticContact CE1-CH2 3.77Å; F259-W304 HydrophobicContact CE1-CH2 3.77Å; F259-W304 AromaticContact CE1-CZ2 3.6Å; F259-W304 HydrophobicContact CE1-CZ2 3.6Å; F259-W304 HydrophobicContact CE2-CH2 4Å; F259-W304 HydrophobicContact CE2-CZ2 4.28Å; F259-W304 AromaticContact CZ-CH2 3.36Å; F259-W304 HydrophobicContact CZ-CH2 3.36Å; F259-W304 AromaticContact CZ-CZ2 3.66Å; F259-W304 HydrophobicContact CZ-CZ2 3.66Å; F259-W304 HydrophobicContact CZ-CZ3 4.5Å; L260-W304 PolarHBondContact O-NE1 3.44Å; Y262-W304 AromaticContact CD1-CH2 3.88Å; Y262-W304 HydrophobicContact CD1-CH2 3.88Å; Y262-W304 HydrophobicContact CD1-CZ2 4.36Å; Y262-W304 HydrophobicContact CD1-CZ3 4.27Å; Y262-W304 HydrophobicContact CG-CH2 4.3Å; N298-W304 HydrophobicContact CB-CE3 3.97Å; N298-W304 HydrophobicContact CB-CZ3 3.84Å; N298-W304 VanDerWaalsContact ND2-CE3 3.27Å; N298-W304 WeakPolarHBondContact ND2-CH2 3.44Å; N298-W304 VanDerWaalsContact ND2-CZ3 3.25Å; N298-W304 WeakPolarHBondContact ND2-CZ3 3.32Å; W300-W304 HydrophobicContact CB-CB 4.33Å; W300-W304 HydrophobicContact CB-CG 4.42Å; W300-W304 AromaticContact CE3-CD1 3.78Å; W300-W304 AromaticContact CE3-CD2 3.99Å; W300-W304 HydrophobicContact CE3-CD2 3.99Å; W300-W304 AromaticContact CE3-CE2 3.68Å; W300-W304 HydrophobicContact CE3-CG 4.09Å; W300-W304 HydrophobicContact CE3-CZ2 4.21Å; W300-W304 AromaticContact CE3-NE1 3.55Å; 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 3.72Å; W304-G308 VanDerWaalsContact O-CA 3.25Å; W304-G308 WeakPolarHBondContact O-CA 3.22Å; W304-G308 PolarHBondContact O-N 2.51Å; W304-F310 HydrophobicContact CH2-CB 3.84Å; W304-F310 AromaticContact CH2-CD1 3.84Å; W304-F310 HydrophobicContact CH2-CD1 3.84Å; W304-F310 AromaticContact CH2-CG 3.95Å; W304-F310 HydrophobicContact CH2-CG 3.95Å; W304-F310 HydrophobicContact CZ3-CB 3.87Å; W304-F310 AromaticContact CZ3-CD1 3.73Å; W304-F310 HydrophobicContact CZ3-CD1 3.73Å; W304-F310 HydrophobicContact CZ3-CG 4.11Å
305	G	97.6	Very high	98	Very high	15 Å²	15	22 Å²	22	16%	0.155	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-135	172.1	0	0	0	0	0	113.7	N46 Y262 K263	N46-G305 PolarHBondContact OD1-N 3.04Å; Y262-G305 WeakPolarHBondContact O-CA 3.17Å; K263-G305 CarbonylContact O-C 3.51Å
306	D	98.3	Very high	97.9	Very high	69 Å²	69	28 Å²	28	37%	0.369	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-99.5	82.6	176.6	-177.9	11.4	0	0	0	109.5	G308 F309	D306-G308 VanDerWaalsContact C-N 3.27Å; D306-G308 PolarHBondContact O-N 2.76Å; D306-F309 PolarHBondContact N-O 3.45Å; D306-F309 WeakPolarHBondContact O-CB 3.27Å; D306-F309 PolarHBondContact O-N 2.82Å
307	N	97.9	Very high	97.9	Very high	109 Å²	109	30 Å²	30	58%	0.583	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	35.9	-178.6	-57.8	-80.4	0	0	0	113.3	T302 F309	T302-N307 CarbonylContact O-C 3.56Å; T302-N307 VanDerWaalsContact O-C 3.27Å; T302-N307 WeakPolarHBondContact O-CA 3.03Å; N307-F309 VanDerWaalsContact C-N 3.29Å; N307-F309 WeakPolarHBondContact O-CD2 2.97Å
308	G	98.2	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-5.9	-174.3	0	0	0	0	0	114.9	N298 N301 T302 W304 D306	N298-G308 VanDerWaalsContact CB-O 3.25Å; N298-G308 WeakPolarHBondContact CB-O 3.33Å; N298-G308 PolarHBondContact N-O 2.97Å; N301-G308 VanDerWaalsContact O-CA 3.29Å; N301-G308 WeakPolarHBondContact O-CA 3.18Å; T302-G308 PolarHBondContact O-N 2.92Å; W304-G308 VanDerWaalsContact O-CA 3.25Å; W304-G308 WeakPolarHBondContact O-CA 3.22Å; W304-G308 PolarHBondContact O-N 2.51Å; D306-G308 VanDerWaalsContact C-N 3.27Å; D306-G308 PolarHBondContact O-N 2.76Å
309	F	98.9	Very high	97.9	Very high	18 Å²	18	32.4 Å²	32.4	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	162.2	174.9	-58.9	-93	0	0	0	111.2	I99 L283 V296 A297 D306 N307	I99-F309 HydrophobicContact CD1-CD1 4.11Å; I99-F309 HydrophobicContact CD1-CD2 4.05Å; I99-F309 HydrophobicContact CD1-CE1 3.8Å; I99-F309 HydrophobicContact CD1-CE2 3.72Å; I99-F309 HydrophobicContact CD1-CG 4.23Å; I99-F309 HydrophobicContact CD1-CZ 3.58Å; I99-F309 HydrophobicContact CG1-CD2 4.15Å; I99-F309 HydrophobicContact CG1-CE1 4.48Å; I99-F309 HydrophobicContact CG1-CE2 3.57Å; I99-F309 HydrophobicContact CG1-CZ 3.76Å; L283-F309 HydrophobicContact CD1-CE1 4.07Å; L283-F309 HydrophobicContact CD2-CD1 4.2Å; L283-F309 HydrophobicContact CD2-CE1 4.15Å; V296-F309 CarbonylContact O-C 3.51Å; V296-F309 VanDerWaalsContact O-CA 3.29Å; V296-F309 WeakPolarHBondContact O-CA 3.07Å; A297-F309 HydrophobicContact CB-CD1 3.97Å; A297-F309 HydrophobicContact CB-CE1 3.84Å; D306-F309 PolarHBondContact N-O 3.45Å; D306-F309 WeakPolarHBondContact O-CB 3.27Å; D306-F309 PolarHBondContact O-N 2.82Å; N307-F309 VanDerWaalsContact C-N 3.29Å; N307-F309 WeakPolarHBondContact O-CD2 2.97Å
310	F	98.9	Very high	97.9	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	166.8	167.1	68	-79.1	0	0	0	111.2	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 4.32Å; F253-F310 AromaticContact CZ-CZ 3.97Å; F253-F310 HydrophobicContact CZ-CZ 3.97Å; F259-F310 AromaticContact CE2-CD2 3.59Å; F259-F310 HydrophobicContact CE2-CD2 3.59Å; F259-F310 AromaticContact CE2-CE2 3.64Å; F259-F310 HydrophobicContact CE2-CE2 3.64Å; F259-F310 HydrophobicContact CE2-CG 4.08Å; F259-F310 HydrophobicContact CE2-CZ 4.17Å; F259-F310 HydrophobicContact CZ-CD1 4.04Å; F259-F310 AromaticContact CZ-CD2 3.83Å; F259-F310 HydrophobicContact CZ-CD2 3.83Å; F259-F310 AromaticContact CZ-CE1 3.9Å; F259-F310 HydrophobicContact CZ-CE1 3.9Å; F259-F310 AromaticContact CZ-CE2 3.69Å; F259-F310 HydrophobicContact CZ-CE2 3.69Å; F259-F310 AromaticContact CZ-CG 3.98Å; F259-F310 HydrophobicContact CZ-CG 3.98Å; F259-F310 AromaticContact CZ-CZ 3.72Å; F259-F310 HydrophobicContact CZ-CZ 3.72Å; Y262-F310 HydrophobicContact CD1-CB 3.63Å; Y262-F310 HydrophobicContact CE1-CB 3.29Å; Y262-F310 HydrophobicContact CE2-CB 4.31Å; Y262-F310 HydrophobicContact CG-CB 4.28Å; I280-F310 HydrophobicContact CG2-CE1 4.14Å; I280-F310 HydrophobicContact CG2-CZ 4.17Å; 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 4.19Å; V296-F310 HydrophobicContact CG1-CE1 3.35Å; V296-F310 HydrophobicContact CG1-CE2 4.19Å; V296-F310 HydrophobicContact CG1-CZ 3.36Å; V296-F310 HydrophobicContact CG2-CE2 4.23Å; V296-F310 HydrophobicContact CG2-CZ 4.19Å; V296-F310 PolarHBondContact N-O 3.45Å; V296-F310 PolarHBondContact O-N 2.59Å; N298-F310 HydrophobicContact CB-CD1 4.2Å; N298-F310 HydrophobicContact CB-CE1 4.19Å; W304-F310 HydrophobicContact CH2-CB 3.84Å; W304-F310 AromaticContact CH2-CD1 3.84Å; W304-F310 HydrophobicContact CH2-CD1 3.84Å; W304-F310 AromaticContact CH2-CG 3.95Å; W304-F310 HydrophobicContact CH2-CG 3.95Å; W304-F310 HydrophobicContact CZ3-CB 3.87Å; W304-F310 AromaticContact CZ3-CD1 3.73Å; W304-F310 HydrophobicContact CZ3-CD1 3.73Å; 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 3.97Å
311	K	98.9	Very high	98	Very high	37 Å²	37	33.2 Å²	33.2	16%	0.161	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.4	171.5	-60.3	166	-176.5	156.1	0	109	Y262 G265 V266 Y267 E288 Y293 W294	Y262-K311 PolarHBondContact OH-N 2.56Å; G265-K311 WeakPolarHBondContact O-CB 3.34Å; V266-K311 HydrophobicContact CG2-CB 4.36Å; Y267-K311 VanDerWaalsContact CB-O 3.31Å; Y267-K311 WeakPolarHBondContact CB-O 3.36Å; Y267-K311 PolarHBondContact N-O 3.01Å; E288-K311 IonicContact OE2-NZ 2.64Å; E288-K311 PolarHBondContact OE2-NZ 3.02Å; Y293-K311 HydrophobicContact CD1-CD 4.18Å; Y293-K311 HydrophobicContact CD2-CB 3.84Å; Y293-K311 HydrophobicContact CD2-CD 3.89Å; Y293-K311 HydrophobicContact CD2-CG 3.59Å; Y293-K311 HydrophobicContact CE1-CD 4.13Å; Y293-K311 HydrophobicContact CE2-CD 3.87Å; Y293-K311 HydrophobicContact CE2-CG 3.84Å; Y293-K311 HydrophobicContact CG-CB 3.94Å; Y293-K311 HydrophobicContact CG-CD 4.08Å; Y293-K311 HydrophobicContact CG-CG 4.06Å; W294-K311 VanDerWaalsContact O-CA 3.26Å; W294-K311 WeakPolarHBondContact O-CA 3.46Å
312	I	98.9	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.3	177.5	-176.8	166.7	0	0	0	110.2	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 3.9Å; Y267-I312 HydrophobicContact CD1-CG1 3.99Å; Y267-I312 HydrophobicContact CE1-CD1 4.37Å; Y293-I312 CarbonylContact C-O 2.97Å; Y293-I312 WeakPolarHBondContact CA-O 3.47Å; W294-I312 HydrophobicContact CB-CG2 4.01Å; W294-I312 PolarHBondContact N-O 2.88Å; W294-I312 PolarHBondContact O-N 2.99Å; V296-I312 HydrophobicContact CG2-CG2 3.97Å; F310-I312 HydrophobicContact CD2-CB 4.22Å; F310-I312 HydrophobicContact CE2-CB 3.96Å; F310-I312 HydrophobicContact CE2-CG2 3.97Å; I312-R314 PolarHBondContact O-N 3.32Å; I312-I321 HydrophobicContact CD1-CB 4.34Å; I312-I321 HydrophobicContact CD1-CG1 4.46Å; I312-I321 HydrophobicContact CG2-CD1 4.33Å; I312-I321 HydrophobicContact CG2-CG1 3.94Å
313	L	98.9	Very high	98.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	126.6	-178.2	-174.7	70.2	0	0	0	112.1	V266 Y267 Q268 T291 Q316 H318	V266-L313 HydrophobicContact CG1-CB 4.48Å; Y267-L313 PolarHBondContact O-N 3.41Å; Q268-L313 HydrophobicContact CG-CB 3.93Å; Q268-L313 HydrophobicContact CG-CD2 4.13Å; Q268-L313 HydrophobicContact CG-CG 4.43Å; T291-L313 HydrophobicContact CG2-CD1 3.71Å; L313-Q316 HydrophobicContact CD2-CB 4.21Å; L313-Q316 HydrophobicContact CD2-CG 4.2Å; L313-H318 HydrophobicContact CB-CB 3.99Å; L313-H318 HydrophobicContact CD2-CB 4.31Å
314	R	98.8	Very high	98.3	Very high	17 Å²	17	30.8 Å²	30.8	6%	0.064	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	149.2	178.5	167.7	172.5	55.7	87.8	-2.5	111.6	E236 G286 P292 Y293 W294 I312	E236-R314 HydrophobicContact CG-CG 3.79Å; E236-R314 IonicContact OE1-CZ 3.63Å; E236-R314 IonicContact OE1-NH1 2.58Å; E236-R314 PolarHBondContact OE1-NH1 3.42Å; G286-R314 PolarHBondContact O-NH2 2.92Å; P292-R314 HydrophobicContact CB-CB 4.4Å; P292-R314 PolarHBondContact O-N 3.39Å; Y293-R314 PolarHBondContact O-NE 2.84Å; W294-R314 HydrophobicContact CD2-CB 4.15Å; W294-R314 HydrophobicContact CD2-CG 3.99Å; W294-R314 VanDerWaalsContact CE2-CG 3.45Å; W294-R314 HydrophobicContact CG-CB 3.99Å; W294-R314 HydrophobicContact CG-CG 4.37Å; W294-R314 HydrophobicContact CH2-CG 4.42Å; W294-R314 HydrophobicContact CZ2-CG 3.7Å; I312-R314 PolarHBondContact O-N 3.32Å
315	G	98.3	Very high	98.4	Very high	35 Å²	35	30.8 Å²	30.8	36%	0.361	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	10.7	172.2	0	0	0	0	0	114.3	E236 E322	E236-G315 WeakPolarHBondContact OE2-CA 3.29Å; G315-E322 PolarHBondContact N-OE1 2.66Å
316	Q	98.3	Very high	98.4	Very high	140 Å²	140	30.5 Å²	30.5	65%	0.654	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.2	10.1	-179.9	-61.8	-169.1	33	0	0	112.7	L313 H318	L313-Q316 HydrophobicContact CD2-CB 4.21Å; L313-Q316 HydrophobicContact CD2-CG 4.2Å; Q316-H318 PolarHBondContact O-N 2.03Å; Q316-H318 VanDerWaalsContact O-N 3.13Å
317	D	98.6	Very high	98.4	Very high	42 Å²	42	27.2 Å²	27.2	23%	0.225	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	41.7	-171.8	-163.5	16	0	0	0	112.2	N234 C319 G320 I321 E322 S323	N234-D317 PolarHBondContact ND2-OD2 2.98Å; D317-C319 PolarHBondContact O-N 2.99Å; D317-G320 PolarHBondContact O-N 3.18Å; D317-G320 WeakPolarHBondContact OD1-CA 3.45Å; D317-I321 PolarHBondContact OD1-N 3.2Å; D317-E322 WeakPolarHBondContact CA-OE2 3.27Å; D317-E322 HydrophobicContact CB-CB 4.22Å; D317-E322 PolarHBondContact N-OE2 2.01Å; D317-E322 WeakPolarHBondContact OD1-CA 3.04Å; D317-E322 WeakPolarHBondContact OD1-CB 3.41Å; D317-E322 PolarHBondContact OD1-N 3.2Å; D317-S323 PolarHBondContact OD1-N 2.98Å; D317-S323 VanDerWaalsContact OD1-N 3.08Å; D317-S323 PolarHBondContact OD2-OG 2.93Å
318	H	98.7	Very high	98.4	Very high	29 Å²	29	22 Å²	22	13%	0.134	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-60.6	126.4	-172.2	-173	-37.9	0	0	0	109.5	Q268 H269 L313 Q316 G320 I321	Q268-H318 VanDerWaalsContact CA-NE2 3.31Å; Q268-H318 WeakPolarHBondContact CA-NE2 3.27Å; H269-H318 PolarHBondContact N-CE1 2.83Å; H269-H318 PolarHBondContact N-NE2 3.27Å; L313-H318 HydrophobicContact CB-CB 3.99Å; L313-H318 HydrophobicContact CD2-CB 4.31Å; Q316-H318 PolarHBondContact O-N 2.03Å; Q316-H318 VanDerWaalsContact O-N 3.13Å; H318-G320 PolarHBondContact O-N 2.76Å; H318-G320 VanDerWaalsContact O-N 3.1Å; H318-I321 WeakPolarHBondContact O-CB 3.45Å; H318-I321 VanDerWaalsContact O-CG2 3.25Å; H318-I321 WeakPolarHBondContact O-CG2 3.01Å; H318-I321 PolarHBondContact O-N 2.84Å; H318-I321 VanDerWaalsContact O-N 3.12Å
319	C	98.4	Very high	98.4	Very high	22 Å²	22	22.5 Å²	22.5	15%	0.149	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	57.4	15.7	-174.1	-66.9	0	0	0	0	114.3	F253 S254 D317	F253-C319 WeakPolarHBondContact CA-O 3.16Å; F253-C319 HydrophobicContact CB-CB 4.16Å; F253-C319 WeakPolarHBondContact CB-O 3.44Å; F253-C319 HydrophobicContact CD2-CB 4Å; S254-C319 PolarHBondContact N-O 2.91Å; S254-C319 WeakPolarHBondContact O-CB 3Å; D317-C319 PolarHBondContact O-N 2.99Å
320	G	98.4	Very high	98.3	Very high	21 Å²	21	21.8 Å²	21.8	22%	0.216	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	82.2	12.6	-175.8	0	0	0	0	0	114.8	A252 D317 H318 E322 S323	A252-G320 VanDerWaalsContact O-O 3.1Å; D317-G320 PolarHBondContact O-N 3.18Å; D317-G320 WeakPolarHBondContact OD1-CA 3.45Å; H318-G320 PolarHBondContact O-N 2.76Å; H318-G320 VanDerWaalsContact O-N 3.1Å; G320-E322 PolarHBondContact O-N 3.31Å; G320-E322 VanDerWaalsContact O-N 3.09Å; G320-S323 WeakPolarHBondContact O-CB 3.3Å; G320-S323 PolarHBondContact O-N 3.36Å
321	I	98.8	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23	-174.4	-166.6	67.9	0	0	0	114.2	F253 I280 I282 I312 D317 H318	F253-I321 HydrophobicContact CB-CB 4.13Å; F253-I321 HydrophobicContact CB-CD1 3.77Å; F253-I321 HydrophobicContact CD1-CD1 3.78Å; F253-I321 HydrophobicContact CG-CD1 3.91Å; I280-I321 HydrophobicContact CD1-CD1 3.88Å; I280-I321 HydrophobicContact CG1-CD1 4.01Å; I282-I321 HydrophobicContact CD1-CG1 4.46Å; I312-I321 HydrophobicContact CD1-CB 4.34Å; I312-I321 HydrophobicContact CD1-CG1 4.46Å; I312-I321 HydrophobicContact CG2-CD1 4.33Å; I312-I321 HydrophobicContact CG2-CG1 3.94Å; D317-I321 PolarHBondContact OD1-N 3.2Å; H318-I321 WeakPolarHBondContact O-CB 3.45Å; H318-I321 VanDerWaalsContact O-CG2 3.25Å; H318-I321 WeakPolarHBondContact O-CG2 3.01Å; H318-I321 PolarHBondContact O-N 2.84Å; H318-I321 VanDerWaalsContact O-N 3.12Å
322	E	98.7	Very high	97.2	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.033	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-9.3	179.6	-68.6	155.6	-166.2	0	0	112.1	N234 I239 W294 G315 D317 G320	N234-E322 WeakPolarHBondContact CA-O 3.47Å; N234-E322 VanDerWaalsContact OD1-CB 3.29Å; N234-E322 WeakPolarHBondContact OD1-CB 3.39Å; N234-E322 PolarHBondContact OD1-O 2.97Å; I239-E322 HydrophobicContact CD1-CB 3.68Å; I239-E322 HydrophobicContact CD1-CG 3.74Å; W294-E322 HydrophobicContact CZ2-CG 4.28Å; W294-E322 PolarHBondContact NE1-OE1 2.87Å; G315-E322 PolarHBondContact N-OE1 2.66Å; D317-E322 WeakPolarHBondContact CA-OE2 3.27Å; D317-E322 HydrophobicContact CB-CB 4.22Å; D317-E322 PolarHBondContact N-OE2 2.01Å; D317-E322 WeakPolarHBondContact OD1-CA 3.04Å; D317-E322 WeakPolarHBondContact OD1-CB 3.41Å; D317-E322 PolarHBondContact OD1-N 3.2Å; G320-E322 PolarHBondContact O-N 3.31Å; G320-E322 VanDerWaalsContact O-N 3.09Å
323	S	97.3	Very high	95.8	Very high	43 Å²	43	34.3 Å²	34.3	30%	0.301	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-26.6	-174.7	-93.1	0	0	0	0	115.2	N234 D317 G320	N234-S323 PolarHBondContact ND2-OG 3.39Å; D317-S323 PolarHBondContact OD1-N 2.98Å; D317-S323 VanDerWaalsContact OD1-N 3.08Å; D317-S323 PolarHBondContact OD2-OG 2.93Å; G320-S323 WeakPolarHBondContact O-CB 3.3Å; G320-S323 PolarHBondContact O-N 3.36Å
324	E	96.1	Very high	93.6	Very high	37 Å²	37	40 Å²	40	17%	0.173	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	43.5	-172.1	-67.6	-165.3	-140	0	0	113.2	L63 G64 G251 A252	L63-E324 VanDerWaalsContact CA-OE1 3.27Å; L63-E324 WeakPolarHBondContact CA-OE1 3.17Å; L63-E324 WeakPolarHBondContact CB-OE1 3.34Å; G64-E324 PolarHBondContact N-OE1 3.48Å; G251-E324 WeakPolarHBondContact CA-O 3.18Å; A252-E324 HydrophobicContact CB-CB 4.11Å
325	V	98.6	Very high	91.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.224	C	C	.	.			trans	-83.1	120.3	176.6	-176.4	0	0	0	0	111	S231 V232 I239 V249 E250 I282	S231-V325 WeakPolarHBondContact CA-O 3.45Å; V232-V325 HydrophobicContact CB-CB 4.12Å; V232-V325 HydrophobicContact CB-CG1 3.9Å; V232-V325 HydrophobicContact CG2-CB 4.47Å; V232-V325 HydrophobicContact CG2-CG1 3.75Å; V232-V325 PolarHBondContact N-O 3.37Å; I239-V325 HydrophobicContact CD1-CG2 3.82Å; I239-V325 HydrophobicContact CG1-CB 4.43Å; I239-V325 HydrophobicContact CG1-CG1 4.5Å; I239-V325 HydrophobicContact CG1-CG2 4.1Å; I239-V325 HydrophobicContact CG2-CG1 4.49Å; I239-V325 HydrophobicContact CG2-CG2 4.46Å; V249-V325 HydrophobicContact CB-CG1 3.76Å; V249-V325 HydrophobicContact CG1-CG1 4.26Å; V249-V325 HydrophobicContact CG2-CG1 3.53Å; E250-V325 CarbonylContact O-C 3.5Å; E250-V325 WeakPolarHBondContact O-CA 3.18Å; I282-V325 HydrophobicContact CD1-CG2 4.29Å
326	V	98.4	Very high	89	Confident	8 Å²	8	50.5 Å²	50.5	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.6	177.7	-66.7	0	0	0	0	111.2	P68 P155 Y230 E250	P68-V326 HydrophobicContact CG-CG1 4.2Å; P155-V326 HydrophobicContact CB-CG2 3.88Å; Y230-V326 WeakPolarHBondContact O-CA 3.42Å; E250-V326 HydrophobicContact CB-CG2 4.03Å; E250-V326 HydrophobicContact CG-CG2 4.24Å; E250-V326 PolarHBondContact N-O 3.17Å; E250-V326 VanDerWaalsContact N-O 3.07Å; E250-V326 PolarHBondContact O-N 3.01Å; E250-V326 VanDerWaalsContact O-O 3.13Å
327	A	98.6	Very high	86.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	-179.7	-178.6	0	0	0	0	0	111.1	W159 S229 Y230 V249	W159-A327 VanDerWaalsContact CE3-C 3.45Å; S229-A327 CarbonylContact C-O 3.59Å; S229-A327 WeakPolarHBondContact CA-O 3.47Å; Y230-A327 HydrophobicContact CD2-CB 4.27Å; Y230-A327 HydrophobicContact CE2-CB 3.62Å; Y230-A327 PolarHBondContact N-O 3.38Å; Y230-A327 PolarHBondContact O-N 3.42Å; V249-A327 HydrophobicContact CB-CB 4.47Å; V249-A327 HydrophobicContact CG1-CB 3.96Å
328	G	97.8	Very high	83.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	166.7	178	0	0	0	0	0	111.4	R120 W159 N228	R120-G328 WeakPolarHBondContact CD-O 3.09Å; R120-G328 PolarHBondContact NH1-O 2.81Å; W159-G328 VanDerWaalsContact CE3-N 3.35Å; N228-G328 WeakPolarHBondContact O-CA 3.05Å
329	I	97.9	Very high	80.5	Confident	10 Å²	10	67.1 Å²	67.1	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.1	174.3	-63.3	-52.9	0	0	0	108.8	Y227 N228 Y230 N246 Y335	Y227-I329 WeakPolarHBondContact CB-O 3.33Å; Y227-I329 PolarHBondContact N-O 3.2Å; N228-I329 PolarHBondContact O-N 3.34Å; N228-I329 PolarHBondContact OD1-N 3.04Å; Y230-I329 HydrophobicContact CE1-CG1 4.1Å; Y230-I329 WeakPolarHBondContact OH-CD1 3.19Å; N246-I329 HydrophobicContact CB-CD1 4.32Å; I329-Y335 HydrophobicContact CG2-CE2 3.86Å
330	P	97.3	Very high	79.6	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.019	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	150.2	177.4	28.6	-35.1	0	0	0	111.4	I121 H124 W162 T332	I121-P330 HydrophobicContact CG1-CB 3.98Å; H124-P330 HydrophobicContact CB-CG 3.55Å; W162-P330 VanDerWaalsContact CH2-CA 3.47Å; W162-P330 HydrophobicContact CH2-CB 4.01Å; W162-P330 HydrophobicContact CZ2-CB 3.81Å; P330-T332 HydrophobicContact CG-CG2 4.32Å; P330-T332 PolarHBondContact O-N 3.07Å
331	R	92.1	Very high	78.7	Confident	133 Å²	133	71.9 Å²	71.9	50%	0.502	33%	0.332	S	S	.	.			trans	-73.7	117.7	167.4	-69.6	177	66.2	-163.3	-0.5	108.4	Y225 G226 Y227	Y225-R331 WeakPolarHBondContact O-CB 3.42Å; Y225-R331 PolarHBondContact O-N 3.01Å; G226-R331 WeakPolarHBondContact O-CD 3.47Å; Y227-R331 HydrophobicContact CD2-CG 4.45Å
332	T	82.5	Confident	77.5	Confident	20 Å²	20	75.9 Å²	75.9	12%	0.123	35%	0.351	C	S	.	.			trans	-121.4	159.6	171.7	69.9	0	0	0	0	109	H124 T125 P330 Q334 Y335	H124-T332 HydrophobicContact CB-CG2 4.4Å; T125-T332 HydrophobicContact CG2-CG2 3.73Å; P330-T332 HydrophobicContact CG-CG2 4.32Å; P330-T332 PolarHBondContact O-N 3.07Å; T332-Q334 PolarHBondContact O-N 3.27Å; T332-Q334 VanDerWaalsContact O-N 3.11Å; T332-Y335 PolarHBondContact O-N 2.04Å; T332-Y335 WeakPolarHBondContact OG1-CD2 3.46Å; T332-Y335 WeakPolarHBondContact OG1-CE2 3.34Å
333	D	68.8	Low	76.3	Confident	149 Å²	149	80 Å²	80	80%	0.797	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-57.8	-26.2	179.1	-63.1	-31	0	0	0	112.4	Y335 W336	D333-Y335 PolarHBondContact O-N 2.7Å; D333-W336 WeakPolarHBondContact O-CB 3.32Å; D333-W336 PolarHBondContact O-N 2.93Å
334	Q	53.1	Low	75	Confident	124 Å²	124	82.3 Å²	82.3	58%	0.579	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-60.8	-23	174.5	-69.5	-176.8	-6.3	0	0	114	T332	T332-Q334 PolarHBondContact O-N 3.27Å; T332-Q334 VanDerWaalsContact O-N 3.11Å
335	Y	54.5	Low	73.6	Confident	87 Å²	87	85.3 Å²	85.3	34%	0.341	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-94	-6.2	176.9	-61.2	-73.4	0	0	0	113.2	I329 T332 D333	I329-Y335 HydrophobicContact CG2-CE2 3.86Å; T332-Y335 PolarHBondContact O-N 2.04Å; T332-Y335 WeakPolarHBondContact OG1-CD2 3.46Å; T332-Y335 WeakPolarHBondContact OG1-CE2 3.34Å; D333-Y335 PolarHBondContact O-N 2.7Å
336	W	46.8	Very low	71.8	Confident	184 Å²	184	91.4 Å²	91.4	70%	0.697	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-34.1	176.2	-173.6	-104.5	0	0	0	112.6	D333 K338 I339	D333-W336 WeakPolarHBondContact O-CB 3.32Å; D333-W336 PolarHBondContact O-N 2.93Å; W336-K338 PolarHBondContact O-N 2.81Å; W336-I339 PolarHBondContact O-N 2.94Å
337	E	42.4	Very low	69.7	Low	181 Å²	181	97.8 Å²	97.8	85%	0.846	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	5.2	179.5	-65.6	-167.1	163	0	0	114.7
338	K	38.3	Very low	67.3	Low	191 Å²	191	105.9 Å²	105.9	83%	0.83	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	14.6	179.1	-72.4	-169.8	177.8	178.5	0	114.6	W336	W336-K338 PolarHBondContact O-N 2.81Å
339	I	36.5	Very low	64.6	Low	189 Å²	189	115.5 Å²	115.5	97%	0.969	52%	0.523	S	S	*	.			trans	-117.8	0	173.4	-48.7	-178.8	0	0	0	110.4	W336	W336-I339 PolarHBondContact O-N 2.94Å

Retrieved 339 of 339 residues in 349.5 ms (Link to these results)

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