HGLB_SCHMA Loading...

Hemoglobinase

This protease is used by the parasite for degradation of the host globin.

AlphaFold DB , UniProt , Accession P09841, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 aa.

Structure Viewer

Loading PAE data...

(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	49.9	Very low	58.2	Low	233 Å²	233	129.2 Å²	129.2	100%	1.148	66%	0.66	S	S	*	*				0	8	0	-85.7	172.3	65.9	0	0	114.8
2	M	53.7	Low	58.4	Low	173 Å²	173	127.3 Å²	127.3	85%	0.852	65%	0.651	S	S	*	*			trans	-95	-3.5	-177.5	-80.2	174.3	73	0	0	116
3	L	52.2	Low	58.2	Low	153 Å²	153	126.9 Å²	126.9	80%	0.801	65%	0.645	S	S	*	*	S	Bend	trans	-85.7	-16.6	-179.1	-78	157.8	0	0	0	114.1
4	F	51.3	Low	58.2	Low	170 Å²	170	125 Å²	125	75%	0.746	64%	0.635	S	S	*	*	H	α-helix	trans	-78.9	-18.9	179.1	-91.2	-83	0	0	0	114
5	S	64.9	Low	57.8	Low	77 Å²	77	124.3 Å²	124.3	54%	0.538	63%	0.633	S	S	.	*	H	α-helix	trans	-73.9	-33.6	-177.2	179.1	0	0	0	0	112.9	I9	S5-I9 WeakPolarHBondContact O-CG1 3.43Å
6	L	58.7	Low	57.3	Low	126 Å²	126	123.4 Å²	123.4	66%	0.66	63%	0.629	S	S	*	*	H	α-helix	trans	-74.3	-30.2	-179.6	-74.7	162.2	0	0	0	112.8	I9 S10	L6-I9 PolarHBondContact O-N 3.39Å; L6-S10 PolarHBondContact O-N 3.17Å
7	F	62	Low	56.8	Low	144 Å²	144	122.1 Å²	122.1	63%	0.632	63%	0.628	S	S	*	*	H	α-helix	trans	-73.3	-30.7	-179.3	-144.1	-92.1	0	0	0	112.6	S10 I11	F7-S10 PolarHBondContact O-OG 3.13Å; F7-S10 VanDerWaalsContact O-OG 3.07Å; F7-I11 HydrophobicContact CD1-CD1 3.79Å; F7-I11 HydrophobicContact CD1-CG1 4.42Å; F7-I11 HydrophobicContact CE1-CD1 4.01Å; F7-I11 WeakPolarHBondContact O-CG1 3.49Å; F7-I11 PolarHBondContact O-N 3.49Å
8	L	59.1	Low	56.1	Low	122 Å²	122	123.6 Å²	123.6	64%	0.639	63%	0.629	S	S	*	*	H	α-helix	trans	-71.9	-33.9	175.3	-100.2	138.5	0	0	0	112.5	L12	L8-L12 PolarHBondContact O-N 3.2Å; L8-L12 VanDerWaalsContact O-N 3.11Å
9	I	64.5	Low	55.4	Low	92 Å²	92	123.1 Å²	123.1	47%	0.472	64%	0.637	S	S	.	*	H	α-helix	trans	-70.4	-36.3	179.1	-62.5	168	0	0	0	111.1	S5 L6 L12 H13	S5-I9 WeakPolarHBondContact O-CG1 3.43Å; L6-I9 PolarHBondContact O-N 3.39Å; I9-L12 PolarHBondContact O-N 2.75Å; I9-H13 PolarHBondContact O-N 3.06Å; I9-H13 VanDerWaalsContact O-N 3.1Å; I9-H13 PolarHBondContact O-ND1 3.44Å
10	S	60.9	Low	54.6	Low	52 Å²	52	124.8 Å²	124.8	36%	0.364	64%	0.641	S	S	.	*	H	α-helix	trans	-70.9	-38.3	177.7	69.5	0	0	0	0	112.5	L6 F7 H13 I14	L6-S10 PolarHBondContact O-N 3.17Å; F7-S10 PolarHBondContact O-OG 3.13Å; F7-S10 VanDerWaalsContact O-OG 3.07Å; S10-H13 PolarHBondContact O-N 3.24Å; S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.5Å; S10-I14 PolarHBondContact O-N 3.11Å
11	I	63.7	Low	54	Low	79 Å²	79	125.2 Å²	125.2	41%	0.405	65%	0.645	S	S	.	*	H	α-helix	trans	-66.2	-39.4	175.4	-65.8	170.4	0	0	0	110.8	F7 H13 I14 L15	F7-I11 HydrophobicContact CD1-CD1 3.79Å; F7-I11 HydrophobicContact CD1-CG1 4.42Å; F7-I11 HydrophobicContact CE1-CD1 4.01Å; F7-I11 WeakPolarHBondContact O-CG1 3.49Å; F7-I11 PolarHBondContact O-N 3.49Å; I11-H13 VanDerWaalsContact C-N 3.34Å; I11-H13 PolarHBondContact O-N 3.15Å; I11-I14 PolarHBondContact O-N 2.83Å; I11-L15 HydrophobicContact CG2-CD1 3.8Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 PolarHBondContact O-N 2.75Å
12	L	59.9	Low	53.4	Low	106 Å²	106	120.7 Å²	120.7	56%	0.555	63%	0.625	S	S	*	*	H	α-helix	trans	-64.9	-38.4	177	-150.1	80.8	0	0	0	111.7	L8 I9 L15 L16	L8-L12 PolarHBondContact O-N 3.2Å; L8-L12 VanDerWaalsContact O-N 3.11Å; I9-L12 PolarHBondContact O-N 2.75Å; L12-L15 PolarHBondContact O-N 2.8Å; L12-L16 HydrophobicContact CD2-CD1 4.4Å; L12-L16 HydrophobicContact CG-CD1 4.24Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 PolarHBondContact O-N 2.68Å
13	H	55.8	Low	52.6	Low	123 Å²	123	118.1 Å²	118.1	57%	0.569	62%	0.619	S	S	*	*	H	α-helix	trans	-66.3	-39.8	173.3	-89.4	66.3	0	0	0	112.4	I9 S10 I11 L15 L16 V17	I9-H13 PolarHBondContact O-N 3.06Å; I9-H13 VanDerWaalsContact O-N 3.1Å; I9-H13 PolarHBondContact O-ND1 3.44Å; S10-H13 PolarHBondContact O-N 3.24Å; I11-H13 VanDerWaalsContact C-N 3.34Å; I11-H13 PolarHBondContact O-N 3.15Å; H13-L15 VanDerWaalsContact C-N 3.34Å; H13-L15 PolarHBondContact O-N 2.92Å; H13-L16 PolarHBondContact O-N 3.13Å; H13-V17 VanDerWaalsContact O-CB 3.31Å; H13-V17 WeakPolarHBondContact O-CB 3.31Å; H13-V17 WeakPolarHBondContact O-CG2 3.3Å; H13-V17 PolarHBondContact O-N 3.03Å
14	I	58.5	Low	51.8	Low	100 Å²	100	117.6 Å²	117.6	51%	0.513	62%	0.617	S	S	.	*	H	α-helix	trans	-68.4	-34.9	177.7	-65.5	165.1	0	0	0	111.3	S10 I11 K18	S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.5Å; S10-I14 PolarHBondContact O-N 3.11Å; I11-I14 PolarHBondContact O-N 2.83Å; I14-K18 WeakPolarHBondContact O-CB 3.13Å; I14-K18 WeakPolarHBondContact O-CG 3.34Å; I14-K18 PolarHBondContact O-N 3.34Å
15	L	52.6	Low	51	Low	114 Å²	114	119 Å²	119	60%	0.597	62%	0.619	S	S	*	*	H	α-helix	trans	-72.6	-36.8	175.2	-79.1	162.6	0	0	0	112.6	I11 L12 H13 C19	I11-L15 HydrophobicContact CG2-CD1 3.8Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 PolarHBondContact O-N 2.75Å; L12-L15 PolarHBondContact O-N 2.8Å; H13-L15 VanDerWaalsContact C-N 3.34Å; H13-L15 PolarHBondContact O-N 2.92Å; L15-C19 PolarHBondContact O-N 2.9Å
16	L	49.4	Very low	49.4	Very low	111 Å²	111	123.6 Å²	123.6	58%	0.581	63%	0.632	S	S	*	*	H	α-helix	trans	-69.7	-40.2	173.8	-89.5	149.7	0	0	0	112	L12 H13 C19	L12-L16 HydrophobicContact CD2-CD1 4.4Å; L12-L16 HydrophobicContact CG-CD1 4.24Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 PolarHBondContact O-N 2.68Å; H13-L16 PolarHBondContact O-N 3.13Å; L16-C19 PolarHBondContact O-N 2.85Å
17	V	48.6	Very low	48.4	Very low	100 Å²	100	123.1 Å²	123.1	61%	0.606	63%	0.634	S	S	*	*	H	α-helix	trans	-71.5	-30	177.7	174.2	0	0	0	0	111.7	H13 C19 Q20	H13-V17 VanDerWaalsContact O-CB 3.31Å; H13-V17 WeakPolarHBondContact O-CB 3.31Å; H13-V17 WeakPolarHBondContact O-CG2 3.3Å; H13-V17 PolarHBondContact O-N 3.03Å; V17-C19 VanDerWaalsContact C-N 3.32Å; V17-Q20 PolarHBondContact O-N 3.14Å
18	K	44.4	Very low	47.1	Very low	149 Å²	149	120.1 Å²	120.1	65%	0.648	63%	0.631	S	S	*	*	H	α-helix	trans	-78.1	-12.7	171.6	-80	-173.1	175.6	-175.7	0	114.5	I14 Q20	I14-K18 WeakPolarHBondContact O-CB 3.13Å; I14-K18 WeakPolarHBondContact O-CG 3.34Å; I14-K18 PolarHBondContact O-N 3.34Å; K18-Q20 VanDerWaalsContact C-N 3.34Å
19	C	42.3	Very low	46.4	Very low	114 Å²	114	120.9 Å²	120.9	77%	0.77	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-6.5	172.3	-137.8	0	0	0	0	112.8	L15 L16 V17	L15-C19 PolarHBondContact O-N 2.9Å; L16-C19 PolarHBondContact O-N 2.85Å; V17-C19 VanDerWaalsContact C-N 3.32Å
20	Q	39.9	Very low	45.4	Very low	157 Å²	157	123.9 Å²	123.9	73%	0.734	65%	0.648	S	S	*	*			trans	-108.5	51.7	166	-68.4	-176.3	-35.9	0	0	109.3	V17 K18 D22	V17-Q20 PolarHBondContact O-N 3.14Å; K18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-D22 VanDerWaalsContact C-N 3.29Å; Q20-D22 PolarHBondContact O-N 3.05Å; Q20-D22 VanDerWaalsContact O-N 3.13Å
21	L	41.4	Very low	44.9	Very low	135 Å²	135	126.6 Å²	126.6	71%	0.707	66%	0.662	S	S	*	*			trans	-73.6	99.7	155.9	-111.5	139	0	0	0	105.9	T23	L21-T23 PolarHBondContact O-N 3.2Å
22	D	37.5	Very low	44.6	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	66%	0.664	S	S	*	*			trans	-42.5	88.2	165.1	-69.6	-45.9	0	0	0	110.1	Q20 N24	Q20-D22 VanDerWaalsContact C-N 3.29Å; Q20-D22 PolarHBondContact O-N 3.05Å; Q20-D22 VanDerWaalsContact O-N 3.13Å; D22-N24 VanDerWaalsContact C-N 3.3Å
23	T	37.5	Very low	45.5	Very low	118 Å²	118	124.2 Å²	124.2	72%	0.724	66%	0.658	S	S	*	*			trans	-100.2	74.1	148.4	45.2	0	0	0	0	104.9	L21 Y25	L21-T23 PolarHBondContact O-N 3.2Å; T23-Y25 PolarHBondContact O-N 2.59Å
24	N	34.5	Very low	46.7	Very low	142 Å²	142	119.5 Å²	119.5	76%	0.759	64%	0.637	S	S	*	*			trans	-60.2	72.1	141	-79	-23.4	0	0	0	106.3	D22 E26	D22-N24 VanDerWaalsContact C-N 3.3Å; N24-E26 PolarHBondContact O-N 2.74Å
25	Y	34.8	Very low	48	Very low	200 Å²	200	118.4 Å²	118.4	78%	0.784	63%	0.632	S	S	*	*			trans	-66.3	91.1	146.1	-135.5	-92.6	0	0	0	102	T23 V27	T23-Y25 PolarHBondContact O-N 2.59Å; Y25-V27 HydrophobicContact CD1-CG2 4.48Å; Y25-V27 PolarHBondContact O-N 2.74Å
26	E	30.7	Very low	50	Low	173 Å²	173	116.8 Å²	116.8	81%	0.808	62%	0.624	S	S	*	*			trans	-52.3	92.7	151.3	-74.5	-179.7	163.8	0	0	103.9	N24 S28	N24-E26 PolarHBondContact O-N 2.74Å; E26-S28 PolarHBondContact O-N 3.13Å
27	V	38.4	Very low	52.3	Low	116 Å²	116	111.8 Å²	111.8	70%	0.703	60%	0.598	S	S	*	*			trans	-59.8	92	148.9	179.7	0	0	0	0	101.1	Y25 D29	Y25-V27 HydrophobicContact CD1-CG2 4.48Å; Y25-V27 PolarHBondContact O-N 2.74Å; V27-D29 PolarHBondContact O-N 2.87Å
28	S	35.2	Very low	54.7	Low	81 Å²	81	108 Å²	108	57%	0.566	57%	0.572	S	S	*	*			trans	-46.4	105.4	153.9	50.7	0	0	0	0	103.2	E26 E30	E26-S28 PolarHBondContact O-N 3.13Å; S28-E30 PolarHBondContact O-N 2.69Å
29	D	43	Very low	57.3	Low	138 Å²	138	100.9 Å²	100.9	74%	0.738	54%	0.541	S	S	*	.			trans	-65.1	68.5	158.9	-161.1	14.5	0	0	0	103.8	V27 T31	V27-D29 PolarHBondContact O-N 2.87Å; D29-T31 PolarHBondContact O-N 2.79Å
30	E	43.7	Very low	60	Low	156 Å²	156	95.4 Å²	95.4	73%	0.729	51%	0.505	S	S	*	.			trans	-58.3	87.8	154.3	-80.9	-169.1	169.4	0	0	101.7	S28 V32	S28-E30 PolarHBondContact O-N 2.69Å; E30-V32 PolarHBondContact O-N 2.73Å
31	T	50.1	Low	62.8	Low	108 Å²	108	88 Å²	88	66%	0.663	47%	0.47	S	S	*	.			trans	-49.6	101.3	170.4	51.9	0	0	0	0	104.3	D29 S33	D29-T31 PolarHBondContact O-N 2.79Å; T31-S33 PolarHBondContact O-N 2.99Å
32	V	58.7	Low	65.5	Low	76 Å²	76	81.5 Å²	81.5	46%	0.461	44%	0.436	S	S	.	.			trans	-58.3	110.9	-173.7	174.4	0	0	0	0	104.7	E30 D34 S291	E30-V32 PolarHBondContact O-N 2.73Å; V32-D34 PolarHBondContact O-N 2.76Å; V32-D34 VanDerWaalsContact O-N 3.11Å; V32-S291 PolarHBondContact O-OG 3.44Å
33	S	77.6	Confident	68.4	Low	59 Å²	59	75 Å²	75	41%	0.413	40%	0.401	S	S	.	.			trans	-67.4	118.1	-169.2	179.6	0	0	0	0	109.1	T31 N35	T31-S33 PolarHBondContact O-N 2.99Å; S33-N35 PolarHBondContact O-N 2.91Å; S33-N35 VanDerWaalsContact O-N 3.15Å; S33-N35 WeakPolarHBondContact OG-CB 3.46Å; S33-N35 PolarHBondContact OG-N 2.92Å; S33-N35 PolarHBondContact OG-ND2 3.35Å
34	D	82.6	Confident	71.3	Confident	25 Å²	25	69.3 Å²	69.3	13%	0.134	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-69.8	-3.7	174.5	-67.6	-43.3	0	0	0	112.5	V32 N36 K37 G68 G290 S291	V32-D34 PolarHBondContact O-N 2.76Å; V32-D34 VanDerWaalsContact O-N 3.11Å; D34-N36 PolarHBondContact O-N 2.75Å; D34-K37 HydrophobicContact CB-CD 4.43Å; D34-K37 PolarHBondContact O-N 3.38Å; D34-K37 WeakPolarHBondContact OD1-CD 3.32Å; D34-K37 WeakPolarHBondContact OD1-CE 3.28Å; D34-K37 IonicContact OD1-NZ 2.6Å; D34-K37 PolarHBondContact OD1-NZ 2.91Å; D34-G68 WeakPolarHBondContact OD2-CA 3.47Å; D34-G290 WeakPolarHBondContact OD1-CA 3.14Å; D34-S291 PolarHBondContact OD1-N 3.08Å; D34-S291 PolarHBondContact OD1-OG 3Å
35	N	86.1	Confident	74.4	Confident	76 Å²	76	62.8 Å²	62.8	41%	0.406	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-66.3	-18.3	180	-68.9	-26.5	0	0	0	113.7	S33 K70 H73	S33-N35 PolarHBondContact O-N 2.91Å; S33-N35 VanDerWaalsContact O-N 3.15Å; S33-N35 WeakPolarHBondContact OG-CB 3.46Å; S33-N35 PolarHBondContact OG-N 2.92Å; S33-N35 PolarHBondContact OG-ND2 3.35Å; N35-K70 WeakPolarHBondContact OD1-CE 3.21Å; N35-K70 PolarHBondContact OD1-NZ 3.21Å; N35-H73 PolarHBondContact O-CE1 3.42Å
36	N	93.7	Very high	77.4	Confident	80 Å²	80	55.5 Å²	55.5	43%	0.428	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-103.5	16.4	178.7	-61.5	-23.7	0	0	0	112.3	D34 D142 D143	D34-N36 PolarHBondContact O-N 2.75Å; N36-D142 VanDerWaalsContact CA-OD1 3.32Å; N36-D142 WeakPolarHBondContact CA-OD1 3.36Å; N36-D142 CarbonylContact O-C 3.45Å; N36-D142 WeakPolarHBondContact O-CA 3.39Å; N36-D143 PolarHBondContact O-N 3.34Å
37	K	97.5	Very high	80.5	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.6	-177.1	-55.5	179.7	-167.1	168.8	0	109.6	D34 I69 H73 D143 S286 E287 S291	D34-K37 HydrophobicContact CB-CD 4.43Å; D34-K37 PolarHBondContact O-N 3.38Å; D34-K37 WeakPolarHBondContact OD1-CD 3.32Å; D34-K37 WeakPolarHBondContact OD1-CE 3.28Å; D34-K37 IonicContact OD1-NZ 2.6Å; D34-K37 PolarHBondContact OD1-NZ 2.91Å; K37-I69 HydrophobicContact CB-CD1 4.49Å; K37-H73 VanDerWaalsContact O-CB 3.31Å; K37-H73 WeakPolarHBondContact O-CB 3.36Å; K37-H73 PolarHBondContact O-ND1 3.3Å; K37-D143 WeakPolarHBondContact CA-O 3.45Å; K37-S286 WeakPolarHBondContact CD-O 3.4Å; K37-S286 VanDerWaalsContact CE-O 3.25Å; K37-S286 WeakPolarHBondContact CE-O 3.18Å; K37-S286 PolarHBondContact NZ-O 2.96Å; K37-E287 WeakPolarHBondContact CD-O 3.28Å; K37-E287 WeakPolarHBondContact CG-O 3.22Å; K37-S291 PolarHBondContact NZ-OG 3.2Å
38	W	98.5	Very high	83.4	Confident	19 Å²	19	43 Å²	43	7%	0.072	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.8	179.2	-67.9	77.5	0	0	0	110.9	H73 L136 K137 D142 D143 V144 F145	W38-H73 WeakPolarHBondContact CA-O 3.27Å; W38-H73 HydrophobicContact CD2-CB 4.15Å; W38-H73 HydrophobicContact CE3-CB 4.05Å; W38-H73 AromaticContact CH2-CD2 3.54Å; W38-H73 AromaticContact CZ2-CD2 3.63Å; W38-H73 AromaticContact CZ2-NE2 3.78Å; W38-H73 HydrophobicContact CZ3-CB 4.37Å; W38-H73 AromaticContact CZ3-CD2 3.93Å; W38-L136 HydrophobicContact CB-CD1 3.52Å; W38-L136 HydrophobicContact CD2-CD1 3.9Å; W38-L136 HydrophobicContact CE3-CD1 3.84Å; W38-L136 HydrophobicContact CG-CD1 3.79Å; W38-K137 HydrophobicContact CH2-CB 3.69Å; W38-K137 HydrophobicContact CH2-CD 4.47Å; W38-K137 HydrophobicContact CH2-CG 4.33Å; W38-K137 HydrophobicContact CZ2-CB 3.9Å; W38-K137 HydrophobicContact CZ3-CB 4.38Å; W38-D142 PolarHBondContact NE1-OD1 2.97Å; W38-D142 VanDerWaalsContact NE1-OD1 3.13Å; W38-D143 PolarHBondContact N-O 3.28Å; W38-V144 HydrophobicContact CB-CG2 4.28Å; W38-V144 CarbonylContact O-C 3.56Å; W38-V144 WeakPolarHBondContact O-CA 3.4Å; W38-F145 PolarHBondContact O-N 2.88Å
39	A	98.8	Very high	86.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.1	175	0	0	0	0	0	111.8	L64 H73 I74 I75 F145	A39-L64 HydrophobicContact CB-CD1 3.49Å; A39-L64 VanDerWaalsContact CB-CD1 3.49Å; A39-H73 PolarHBondContact N-O 2.83Å; A39-I74 HydrophobicContact CB-CG1 4.26Å; A39-I74 HydrophobicContact CB-CG2 4.28Å; A39-I74 CarbonylContact O-C 3.6Å; A39-I74 WeakPolarHBondContact O-CA 3.42Å; A39-I75 PolarHBondContact O-N 3.36Å; A39-F145 CarbonylContact C-O 3.52Å; A39-F145 WeakPolarHBondContact CA-O 3.33Å; A39-F145 HydrophobicContact CB-CD1 4.39Å
40	V	98.9	Very high	89	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.4	168.6	-173.7	0	0	0	0	107.7	V42 I75 F121 V124 L125 L136 F145 I146 Y147	V40-V42 HydrophobicContact CG1-CG2 4.08Å; V40-I75 CarbonylContact C-O 3.58Å; V40-I75 WeakPolarHBondContact CA-O 3.39Å; V40-I75 HydrophobicContact CG2-CB 4.44Å; V40-I75 HydrophobicContact CG2-CD1 4.19Å; V40-F121 HydrophobicContact CG1-CD2 4.27Å; V40-F121 HydrophobicContact CG1-CE2 3.92Å; V40-V124 HydrophobicContact CG1-CG1 4.28Å; V40-L125 HydrophobicContact CG1-CD2 4.46Å; V40-L125 HydrophobicContact CG2-CD2 4.1Å; V40-L136 HydrophobicContact CG2-CD1 4.48Å; V40-F145 PolarHBondContact N-O 2.91Å; V40-I146 HydrophobicContact CB-CG1 4.36Å; V40-I146 WeakPolarHBondContact O-CA 3.25Å; V40-Y147 PolarHBondContact O-N 3.2Å
41	L	99	Very high	91.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.6	-178.7	-51.8	-180	0	0	0	109.1	V57 A60 Y61 L64 I74 I75 T76 M77 F145 Y147	L41-V57 HydrophobicContact CB-CG1 3.99Å; L41-A60 HydrophobicContact CD1-CB 4.42Å; L41-Y61 HydrophobicContact CD1-CD2 4.45Å; L41-L64 HydrophobicContact CD1-CD1 4.24Å; L41-L64 HydrophobicContact CD2-CD1 3.93Å; L41-L64 HydrophobicContact CG-CD1 4.45Å; L41-I74 HydrophobicContact CD1-CG2 3.82Å; L41-I74 HydrophobicContact CG-CG2 4.05Å; L41-I75 PolarHBondContact N-O 3.43Å; L41-T76 WeakPolarHBondContact O-CA 3.35Å; L41-M77 PolarHBondContact O-N 2.95Å; L41-F145 HydrophobicContact CD2-CE1 4.31Å; L41-Y147 WeakPolarHBondContact CA-O 3.33Å; L41-Y147 HydrophobicContact CD2-CD1 4.2Å
42	V	98.9	Very high	93.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.7	-174.6	-172.8	0	0	0	0	111	V40 M77 F121 Y147 F148 T149 F159	V40-V42 HydrophobicContact CG1-CG2 4.08Å; V42-M77 CarbonylContact C-O 3.47Å; V42-M77 WeakPolarHBondContact CA-O 3.31Å; V42-M77 HydrophobicContact CB-CB 4.5Å; V42-M77 HydrophobicContact CG1-CB 4.22Å; V42-M77 HydrophobicContact CG2-CB 4.24Å; V42-M77 HydrophobicContact CG2-CG 4.42Å; V42-M77 HydrophobicContact CG2-SD 4.13Å; V42-F121 HydrophobicContact CG2-CD2 3.71Å; V42-F121 HydrophobicContact CG2-CE2 3.71Å; V42-Y147 PolarHBondContact N-O 2.98Å; V42-F148 HydrophobicContact CB-CD2 3.77Å; V42-F148 HydrophobicContact CB-CE2 4.34Å; V42-F148 HydrophobicContact CG1-CD2 3.71Å; V42-F148 HydrophobicContact CG1-CE2 3.77Å; V42-T149 PolarHBondContact O-N 3.26Å; V42-F159 HydrophobicContact CG1-CE1 3.75Å; V42-F159 HydrophobicContact CG1-CZ 3.96Å
43	A	98.9	Very high	95.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.5	162.3	0	0	0	0	0	107.4	S45 H53 Q54 V57 M77 M78 T149	A43-S45 VanDerWaalsContact C-N 3.31Å; A43-S45 PolarHBondContact O-N 2.86Å; A43-H53 HydrophobicContact CB-CB 4.16Å; A43-Q54 HydrophobicContact CB-CG 3.9Å; A43-V57 HydrophobicContact CB-CB 4.36Å; A43-V57 HydrophobicContact CB-CG2 3.81Å; A43-M77 PolarHBondContact N-O 3.21Å; A43-M78 HydrophobicContact CB-CB 3.82Å; A43-T149 HydrophobicContact CB-CG2 4.47Å
44	G	98.3	Very high	96.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.			trans	-78.2	-4.9	-170.1	0	0	0	0	0	115	T149 D150 F159 P160	G44-T149 PolarHBondContact N-O 3.42Å; G44-D150 WeakPolarHBondContact CA-OD2 3.45Å; G44-F159 CarbonylContact O-C 3.55Å; G44-F159 WeakPolarHBondContact O-CA 3.38Å; G44-P160 WeakPolarHBondContact O-CD 3.11Å; G44-P160 VanDerWaalsContact O-CG 3.24Å; G44-P160 WeakPolarHBondContact O-CG 3.18Å
45	S	98.1	Very high	97.6	Very high	5 Å²	5	15.2 Å²	15.2	4%	0.035	9%	0.088	C	C	.	.			trans	-132.1	173.7	-179.4	51.7	0	0	0	0	115.3	A43 N50 H53 Q54 D150	A43-S45 VanDerWaalsContact C-N 3.31Å; A43-S45 PolarHBondContact O-N 2.86Å; S45-N50 WeakPolarHBondContact OG-CB 3.33Å; S45-H53 PolarHBondContact OG-CE1 3.26Å; S45-H53 VanDerWaalsContact OG-CE1 3.28Å; S45-H53 PolarHBondContact OG-ND1 3.38Å; S45-Q54 PolarHBondContact O-NE2 3.47Å; S45-D150 WeakPolarHBondContact CB-OD1 3.42Å; S45-D150 PolarHBondContact N-OD2 3.01Å; S45-D150 PolarHBondContact OG-OD1 2.97Å
46	N	98	Very high	98.2	Very high	47 Å²	47	11.6 Å²	11.6	25%	0.251	7%	0.068	S	C	.	.			trans	-128	174	-178.6	66.6	-15.3	0	0	0	110.8	N50 Y79 D81	N46-N50 PolarHBondContact O-ND2 2.87Å; N46-Y79 HydrophobicContact CB-CD1 3.64Å; N46-Y79 HydrophobicContact CB-CD2 3.75Å; N46-Y79 HydrophobicContact CB-CE1 4.05Å; N46-Y79 HydrophobicContact CB-CE2 4.13Å; N46-Y79 HydrophobicContact CB-CG 3.47Å; N46-Y79 VanDerWaalsContact CB-CG 3.47Å; N46-D81 WeakPolarHBondContact CB-OD2 3.47Å
47	G	97.6	Very high	98.5	Very high	23 Å²	23	7.8 Å²	7.8	24%	0.237	5%	0.048	C	C	.	.	S	Bend	trans	84.5	142.6	176.6	0	0	0	0	0	113.2	P49 N50 D81 I82	G47-P49 VanDerWaalsContact C-CD 3.43Å; G47-P49 VanDerWaalsContact O-N 3.16Å; G47-N50 WeakPolarHBondContact O-CA 3.46Å; G47-N50 WeakPolarHBondContact O-CB 3.22Å; G47-N50 PolarHBondContact O-N 2.85Å; G47-D81 WeakPolarHBondContact CA-OD2 3.45Å; G47-D81 PolarHBondContact N-OD2 3.31Å; G47-I82 VanDerWaalsContact C-CD1 3.43Å; G47-I82 VanDerWaalsContact O-CD1 3.29Å; G47-I82 WeakPolarHBondContact O-CD1 3.29Å
48	Y	98.1	Very high	98.5	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.008	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-51.6	-39.3	-173.6	-174.9	-97.3	0	0	0	115.8	N50 Y51 N85 M87 N88 T231 T232 T319	Y48-N50 PolarHBondContact O-N 3.04Å; Y48-Y51 HydrophobicContact CD2-CD2 4.46Å; Y48-Y51 HydrophobicContact CE2-CD2 4.12Å; Y48-Y51 WeakPolarHBondContact O-CB 3.48Å; Y48-Y51 PolarHBondContact O-N 3.25Å; Y48-N85 HydrophobicContact CD2-CB 4.18Å; Y48-M87 HydrophobicContact CD1-CB 3.8Å; Y48-M87 HydrophobicContact CD1-CE 4.26Å; Y48-M87 HydrophobicContact CD1-SD 4.04Å; Y48-M87 HydrophobicContact CD2-CB 3.73Å; Y48-M87 HydrophobicContact CE1-CB 3.98Å; Y48-M87 VanDerWaalsContact CE2-C 3.44Å; Y48-M87 HydrophobicContact CE2-CB 3.89Å; Y48-M87 VanDerWaalsContact CE2-O 3.31Å; Y48-M87 WeakPolarHBondContact CE2-O 3.26Å; Y48-M87 HydrophobicContact CG-CB 3.66Å; Y48-M87 HydrophobicContact CG-CE 3.98Å; Y48-M87 HydrophobicContact CG-SD 4.28Å; Y48-M87 VanDerWaalsContact CZ-O 3.23Å; Y48-M87 PolarHBondContact OH-O 2.84Å; Y48-M87 VanDerWaalsContact OH-O 3.07Å; Y48-N88 HydrophobicContact CE2-CB 4.03Å; Y48-T231 VanDerWaalsContact CE1-OG1 3.29Å; Y48-T231 WeakPolarHBondContact CE1-OG1 3.43Å; Y48-T231 PolarHBondContact OH-N 2.78Å; Y48-T232 HydrophobicContact CD1-CG2 4.3Å; Y48-T232 HydrophobicContact CE1-CG2 3.87Å; Y48-T319 HydrophobicContact CD1-CG2 4.32Å; Y48-T319 HydrophobicContact CE1-CG2 4.41Å
49	P	97.3	Very high	98.5	Very high	38 Å²	38	6.6 Å²	6.6	25%	0.247	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-58.2	-23	174.7	-25.5	36.1	0	0	0	114.1	G47 R52 T232 I315 T319	G47-P49 VanDerWaalsContact C-CD 3.43Å; G47-P49 VanDerWaalsContact O-N 3.16Å; P49-R52 PolarHBondContact O-NH1 2.99Å; P49-T232 PolarHBondContact O-OG1 3.2Å; P49-I315 VanDerWaalsContact O-CG2 3.3Å; P49-I315 WeakPolarHBondContact O-CG2 3.01Å; P49-T319 HydrophobicContact CG-CG2 4.39Å
50	N	98.2	Very high	98.5	Very high	23 Å²	23	6.6 Å²	6.6	12%	0.123	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-94.8	18.5	178.3	-63.9	-41.3	0	0	0	113.9	S45 N46 G47 Y48 R52 H53 H151	S45-N50 WeakPolarHBondContact OG-CB 3.33Å; N46-N50 PolarHBondContact O-ND2 2.87Å; G47-N50 WeakPolarHBondContact O-CA 3.46Å; G47-N50 WeakPolarHBondContact O-CB 3.22Å; G47-N50 PolarHBondContact O-N 2.85Å; Y48-N50 PolarHBondContact O-N 3.04Å; N50-R52 PolarHBondContact O-N 3.26Å; N50-R52 VanDerWaalsContact O-N 3.11Å; N50-R52 PolarHBondContact OD1-NH1 3.22Å; N50-H53 PolarHBondContact O-N 2.88Å; N50-H53 VanDerWaalsContact O-N 3.15Å; N50-H151 PolarHBondContact OD1-NE2 3.19Å
51	Y	98.8	Very high	98.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-38.6	-51.3	177.5	-174.7	-69	0	0	0	113.9	Y48 H53 Q54 A55 I82 L94 F95 I230 T232 L234	Y48-Y51 HydrophobicContact CD2-CD2 4.46Å; Y48-Y51 HydrophobicContact CE2-CD2 4.12Å; Y48-Y51 WeakPolarHBondContact O-CB 3.48Å; Y48-Y51 PolarHBondContact O-N 3.25Å; Y51-H53 VanDerWaalsContact C-N 3.32Å; Y51-H53 PolarHBondContact O-N 3.3Å; Y51-Q54 PolarHBondContact O-N 2.99Å; Y51-A55 HydrophobicContact CD1-CB 4Å; Y51-A55 HydrophobicContact CE1-CB 3.86Å; Y51-A55 PolarHBondContact O-N 2.84Å; Y51-A55 VanDerWaalsContact O-N 3.09Å; Y51-I82 HydrophobicContact CD2-CG2 3.17Å; Y51-I82 HydrophobicContact CE2-CG2 3.67Å; Y51-I82 HydrophobicContact CG-CG2 3.7Å; Y51-L94 HydrophobicContact CD2-CD2 4.36Å; Y51-L94 HydrophobicContact CE1-CD2 4.19Å; Y51-L94 HydrophobicContact CE2-CD2 3.77Å; Y51-L94 WeakPolarHBondContact OH-CA 3.47Å; Y51-F95 VanDerWaalsContact CE1-O 3.26Å; Y51-F95 WeakPolarHBondContact CE1-O 3.27Å; Y51-F95 PolarHBondContact OH-N 3.33Å; Y51-I230 HydrophobicContact CD2-CG2 4.48Å; Y51-I230 HydrophobicContact CE2-CD1 4.39Å; Y51-I230 HydrophobicContact CE2-CG2 4.41Å; Y51-T232 VanDerWaalsContact CB-CG2 3.42Å; Y51-T232 HydrophobicContact CD2-CG2 4.17Å; Y51-T232 HydrophobicContact CG-CG2 3.95Å; Y51-L234 HydrophobicContact CD1-CD2 4.24Å; Y51-L234 HydrophobicContact CE1-CD2 3.84Å
52	R	98.7	Very high	98.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-49.8	-41.3	-177.5	62.3	-165.7	-168	-80.2	-5.3	115	P49 N50 Q54 A55 D56 H151 S222 D236	P49-R52 PolarHBondContact O-NH1 2.99Å; N50-R52 PolarHBondContact O-N 3.26Å; N50-R52 VanDerWaalsContact O-N 3.11Å; N50-R52 PolarHBondContact OD1-NH1 3.22Å; R52-Q54 VanDerWaalsContact C-N 3.35Å; R52-Q54 PolarHBondContact O-N 2.7Å; R52-A55 PolarHBondContact O-N 3.21Å; R52-D56 WeakPolarHBondContact O-CB 3.44Å; R52-D56 PolarHBondContact O-N 3.22Å; R52-H151 PolarHBondContact NH2-CE1 2.82Å; R52-S222 VanDerWaalsContact CD-CB 3.47Å; R52-S222 WeakPolarHBondContact CD-OG 3.47Å; R52-S222 PolarHBondContact NE-OG 3.31Å; R52-D236 WeakPolarHBondContact CD-OD1 3.11Å; R52-D236 WeakPolarHBondContact CG-OD2 3.31Å; R52-D236 IonicContact NE-OD1 2.74Å; R52-D236 PolarHBondContact NE-OD1 3.42Å; R52-D236 IonicContact NE-OD2 3.89Å
53	H	98.9	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.4	-41.3	-175.3	-55	142.5	0	0	0	111.1	A43 S45 N50 Y51 V57 T149 D150 H151 D236	A43-H53 HydrophobicContact CB-CB 4.16Å; S45-H53 PolarHBondContact OG-CE1 3.26Å; S45-H53 VanDerWaalsContact OG-CE1 3.28Å; S45-H53 PolarHBondContact OG-ND1 3.38Å; N50-H53 PolarHBondContact O-N 2.88Å; N50-H53 VanDerWaalsContact O-N 3.15Å; Y51-H53 VanDerWaalsContact C-N 3.32Å; Y51-H53 PolarHBondContact O-N 3.3Å; H53-V57 WeakPolarHBondContact O-CG2 3.38Å; H53-V57 PolarHBondContact O-N 3.02Å; H53-T149 HydrophobicContact CB-CG2 4.01Å; H53-T149 PolarHBondContact CD2-OG1 3.08Å; H53-T149 VanDerWaalsContact CD2-OG1 3.26Å; H53-T149 WeakPolarHBondContact O-CG2 3.33Å; H53-D150 IonicContact CE1-OD1 2.72Å; H53-D150 PolarHBondContact CE1-OD1 2.82Å; H53-D150 IonicContact ND1-OD1 2.7Å; H53-D150 PolarHBondContact ND1-OD1 2.87Å; H53-H151 AromaticContact CE1-NE2 3.85Å; H53-D236 IonicContact CD2-OD2 3.58Å; H53-D236 PolarHBondContact CD2-OD2 3.47Å; H53-D236 IonicContact NE2-OD2 3.47Å
54	Q	98.9	Very high	98.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-73.7	-36	176.6	-61.8	-173.1	31.1	0	0	111.4	A43 S45 Y51 R52 V57 C58 M78 D81 I82 L94	A43-Q54 HydrophobicContact CB-CG 3.9Å; S45-Q54 PolarHBondContact O-NE2 3.47Å; Y51-Q54 PolarHBondContact O-N 2.99Å; R52-Q54 VanDerWaalsContact C-N 3.35Å; R52-Q54 PolarHBondContact O-N 2.7Å; Q54-V57 PolarHBondContact O-N 2.85Å; Q54-C58 WeakPolarHBondContact O-CB 3.31Å; Q54-C58 PolarHBondContact O-N 2.86Å; Q54-C58 PolarHBondContact O-SG 3.05Å; Q54-M78 HydrophobicContact CB-SD 4.33Å; Q54-M78 HydrophobicContact CG-CB 4.24Å; Q54-D81 PolarHBondContact NE2-OD1 3.01Å; Q54-I82 HydrophobicContact CB-CG1 4.39Å; Q54-I82 VanDerWaalsContact CD-CG1 3.48Å; Q54-I82 HydrophobicContact CG-CG1 4.23Å; Q54-L94 HydrophobicContact CB-CD1 4.24Å
55	A	98.9	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.5	-42	174.5	0	0	0	0	0	112.4	Y51 R52 C58 H59 F95 N96 L234	Y51-A55 HydrophobicContact CD1-CB 4Å; Y51-A55 HydrophobicContact CE1-CB 3.86Å; Y51-A55 PolarHBondContact O-N 2.84Å; Y51-A55 VanDerWaalsContact O-N 3.09Å; R52-A55 PolarHBondContact O-N 3.21Å; A55-C58 WeakPolarHBondContact O-CB 3.43Å; A55-C58 PolarHBondContact O-N 2.69Å; A55-H59 WeakPolarHBondContact O-CB 3.34Å; A55-H59 PolarHBondContact O-N 3.39Å; A55-F95 WeakPolarHBondContact CB-O 3.49Å; A55-N96 HydrophobicContact CB-CB 4.45Å; A55-L234 VanDerWaalsContact CB-O 3.31Å; A55-L234 WeakPolarHBondContact CB-O 3.3Å
56	D	98.9	Very high	98	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.4	-44.6	176.5	-70.1	-25.3	0	0	0	111.2	R52 C58 H59 A60 N96 Y147 T149 A235 D236 S239 I243	R52-D56 WeakPolarHBondContact O-CB 3.44Å; R52-D56 PolarHBondContact O-N 3.22Å; D56-C58 VanDerWaalsContact C-N 3.34Å; D56-C58 PolarHBondContact O-N 3.22Å; D56-H59 PolarHBondContact O-N 3.47Å; D56-A60 VanDerWaalsContact O-CB 3.24Å; D56-A60 WeakPolarHBondContact O-CB 3.34Å; D56-A60 PolarHBondContact O-N 3.45Å; D56-N96 PolarHBondContact N-ND2 3.03Å; D56-N96 PolarHBondContact OD1-ND2 3.22Å; D56-Y147 HydrophobicContact CB-CE1 4.36Å; D56-Y147 VanDerWaalsContact CB-OH 3.26Å; D56-Y147 WeakPolarHBondContact CB-OH 3.41Å; D56-T149 HydrophobicContact CB-CG2 4.43Å; D56-A235 WeakPolarHBondContact OD1-CA 3.42Å; D56-A235 WeakPolarHBondContact OD1-CB 3.49Å; D56-D236 PolarHBondContact OD1-N 2.93Å; D56-D236 WeakPolarHBondContact OD2-CB 2.95Å; D56-D236 PolarHBondContact OD2-N 2.67Å; D56-S239 VanDerWaalsContact OD2-CB 3.31Å; D56-S239 WeakPolarHBondContact OD2-CB 3.2Å; D56-I243 HydrophobicContact CB-CD1 4.17Å; D56-I243 WeakPolarHBondContact O-CD1 3.47Å
57	V	98.9	Very high	97.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.4	-41.6	175.6	164.4	0	0	0	0	112	L41 A43 H53 Q54 Y61 T76 M78 Y147 T149	L41-V57 HydrophobicContact CB-CG1 3.99Å; A43-V57 HydrophobicContact CB-CB 4.36Å; A43-V57 HydrophobicContact CB-CG2 3.81Å; H53-V57 WeakPolarHBondContact O-CG2 3.38Å; H53-V57 PolarHBondContact O-N 3.02Å; Q54-V57 PolarHBondContact O-N 2.85Å; V57-Y61 WeakPolarHBondContact O-CB 3.33Å; V57-Y61 PolarHBondContact O-N 3Å; V57-T76 HydrophobicContact CG1-CG2 3.66Å; V57-M78 HydrophobicContact CG1-SD 4.15Å; V57-Y147 HydrophobicContact CG2-CD1 4.35Å; V57-Y147 HydrophobicContact CG2-CE1 4.03Å; V57-T149 HydrophobicContact CG2-CG2 3.8Å
58	C	98.8	Very high	97.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.7	-49.2	175.5	-74.8	0	0	0	0	111.3	Q54 A55 D56 Y61 H62 M78 W103 V107	Q54-C58 WeakPolarHBondContact O-CB 3.31Å; Q54-C58 PolarHBondContact O-N 2.86Å; Q54-C58 PolarHBondContact O-SG 3.05Å; A55-C58 WeakPolarHBondContact O-CB 3.43Å; A55-C58 PolarHBondContact O-N 2.69Å; D56-C58 VanDerWaalsContact C-N 3.34Å; D56-C58 PolarHBondContact O-N 3.22Å; C58-Y61 WeakPolarHBondContact O-CB 3.24Å; C58-Y61 PolarHBondContact O-N 3.18Å; C58-H62 PolarHBondContact O-CD2 3.13Å; C58-H62 PolarHBondContact O-N 3.22Å; C58-H62 VanDerWaalsContact O-N 3.16Å; C58-M78 VanDerWaalsContact SG-CE 3.59Å; C58-W103 HydrophobicContact CB-CB 3.84Å; C58-W103 VanDerWaalsContact CB-O 3.27Å; C58-W103 WeakPolarHBondContact CB-O 3.31Å; C58-V107 HydrophobicContact CB-CG2 4.12Å
59	H	98.5	Very high	97.6	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-62.4	-48.2	177.9	-172.1	-174.3	0	0	0	111.4	A55 D56 Y61 H62 V63 N96 W103 I243 Q247	A55-H59 WeakPolarHBondContact O-CB 3.34Å; A55-H59 PolarHBondContact O-N 3.39Å; D56-H59 PolarHBondContact O-N 3.47Å; H59-Y61 VanDerWaalsContact C-N 3.31Å; H59-Y61 PolarHBondContact O-N 2.85Å; H59-H62 PolarHBondContact O-N 2.99Å; H59-H62 VanDerWaalsContact O-N 3.13Å; H59-V63 PolarHBondContact O-N 2.89Å; H59-N96 HydrophobicContact CB-CB 4.06Å; H59-N96 PolarHBondContact ND1-OD1 2.96Å; H59-W103 HydrophobicContact CB-CD2 4.03Å; H59-W103 HydrophobicContact CB-CE3 4.45Å; H59-W103 HydrophobicContact CB-CG 4.07Å; H59-W103 AromaticContact CD2-CD2 3.79Å; H59-W103 AromaticContact CD2-CE2 3.56Å; H59-W103 AromaticContact CD2-CE3 3.78Å; H59-W103 AromaticContact CD2-CH2 3.26Å; H59-W103 WeakPolarHBondContact CD2-CH2 3.36Å; H59-W103 AromaticContact CD2-CZ2 3.31Å; H59-W103 WeakPolarHBondContact CD2-CZ2 3.42Å; H59-W103 AromaticContact CD2-CZ3 3.53Å; H59-W103 AromaticContact CE1-CZ2 3.8Å; H59-W103 AromaticContact CG-CD2 3.94Å; H59-W103 AromaticContact CG-CE2 3.74Å; H59-W103 AromaticContact CG-CZ2 3.91Å; H59-W103 AromaticContact NE2-CE2 3.9Å; H59-W103 AromaticContact NE2-CH2 3.32Å; H59-W103 VanDerWaalsContact NE2-CH2 3.32Å; H59-W103 WeakPolarHBondContact NE2-CH2 3.46Å; H59-W103 AromaticContact NE2-CZ2 3.24Å; H59-W103 WeakPolarHBondContact NE2-CZ2 3.41Å; H59-I243 HydrophobicContact CB-CG2 4.25Å; H59-I243 WeakPolarHBondContact ND1-CG2 3.32Å; H59-Q247 PolarHBondContact NE2-OE1 3.49Å
60	A	98.7	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-55.4	-44.4	175.3	0	0	0	0	0	112.1	L41 D56 H62 V63 L64 Y147 W242 I243	L41-A60 HydrophobicContact CD1-CB 4.42Å; D56-A60 VanDerWaalsContact O-CB 3.24Å; D56-A60 WeakPolarHBondContact O-CB 3.34Å; D56-A60 PolarHBondContact O-N 3.45Å; A60-H62 VanDerWaalsContact C-N 3.35Å; A60-H62 PolarHBondContact O-N 2.74Å; A60-V63 PolarHBondContact O-N 2.76Å; A60-L64 WeakPolarHBondContact O-CG 3.35Å; A60-L64 PolarHBondContact O-N 2.74Å; A60-Y147 HydrophobicContact CB-CD1 4.17Å; A60-Y147 HydrophobicContact CB-CE1 4.29Å; A60-W242 HydrophobicContact CB-CH2 3.78Å; A60-W242 HydrophobicContact CB-CZ2 4.12Å; A60-I243 HydrophobicContact CB-CD1 4.07Å; A60-I243 HydrophobicContact CB-CG1 4.16Å
61	Y	98.7	Very high	97.4	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-55.9	-49	176.2	174.1	-90	0	0	0	111.4	L41 V57 C58 H59 V63 L64 R65 I74 G106 V107 V108	L41-Y61 HydrophobicContact CD1-CD2 4.45Å; V57-Y61 WeakPolarHBondContact O-CB 3.33Å; V57-Y61 PolarHBondContact O-N 3Å; C58-Y61 WeakPolarHBondContact O-CB 3.24Å; C58-Y61 PolarHBondContact O-N 3.18Å; H59-Y61 VanDerWaalsContact C-N 3.31Å; H59-Y61 PolarHBondContact O-N 2.85Å; Y61-V63 PolarHBondContact O-N 2.75Å; Y61-L64 PolarHBondContact O-N 2.9Å; Y61-R65 HydrophobicContact CD1-CG 4.05Å; Y61-R65 HydrophobicContact CE1-CG 3.64Å; Y61-R65 HydrophobicContact CE2-CG 4.22Å; Y61-R65 WeakPolarHBondContact O-CB 3.4Å; Y61-R65 VanDerWaalsContact O-CG 3.28Å; Y61-R65 WeakPolarHBondContact O-CG 3.45Å; Y61-R65 PolarHBondContact O-N 2.97Å; Y61-R65 PolarHBondContact OH-NH1 2.71Å; Y61-R65 VanDerWaalsContact OH-NH1 3.08Å; Y61-I74 HydrophobicContact CD2-CB 4.38Å; Y61-I74 HydrophobicContact CD2-CD1 4.06Å; Y61-I74 HydrophobicContact CD2-CG2 3.8Å; Y61-I74 HydrophobicContact CE2-CB 4.28Å; Y61-I74 HydrophobicContact CE2-CD1 4.04Å; Y61-I74 HydrophobicContact CE2-CG2 4.17Å; Y61-G106 WeakPolarHBondContact CE1-O 3.36Å; Y61-V107 HydrophobicContact CD1-CB 4.24Å; Y61-V107 HydrophobicContact CD1-CG1 4.2Å; Y61-V107 HydrophobicContact CD1-CG2 3.9Å; Y61-V107 HydrophobicContact CD2-CG1 4.43Å; Y61-V107 HydrophobicContact CE1-CB 4.45Å; Y61-V107 HydrophobicContact CE1-CG2 4.45Å; Y61-V107 HydrophobicContact CG-CG1 4.12Å; Y61-V107 HydrophobicContact CG-CG2 4.42Å; Y61-V108 HydrophobicContact CE2-CB 4.37Å; Y61-V108 WeakPolarHBondContact OH-CG2 3.15Å
62	H	97.8	Very high	97.3	Very high	47 Å²	47	19.7 Å²	19.7	22%	0.218	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-37.4	179	-77.7	-73.6	0	0	0	112.9	C58 H59 A60 R65 S66 W103 E105	C58-H62 PolarHBondContact O-CD2 3.13Å; C58-H62 PolarHBondContact O-N 3.22Å; C58-H62 VanDerWaalsContact O-N 3.16Å; H59-H62 PolarHBondContact O-N 2.99Å; H59-H62 VanDerWaalsContact O-N 3.13Å; A60-H62 VanDerWaalsContact C-N 3.35Å; A60-H62 PolarHBondContact O-N 2.74Å; H62-R65 PolarHBondContact O-N 3.47Å; H62-S66 VanDerWaalsContact O-CB 3.29Å; H62-S66 WeakPolarHBondContact O-CB 3.35Å; H62-S66 PolarHBondContact O-N 3.17Å; H62-W103 HydrophobicContact CB-CE3 3.68Å; H62-W103 HydrophobicContact CB-CZ3 3.61Å; H62-W103 AromaticContact CD2-CE3 3.77Å; H62-W103 PolarHBondContact CD2-O 3.03Å; H62-W103 AromaticContact CG-CE3 3.87Å; H62-W103 PolarHBondContact NE2-O 2.94Å; H62-W103 VanDerWaalsContact NE2-O 3.08Å; H62-E105 PolarHBondContact CE1-O 2.87Å; H62-E105 PolarHBondContact NE2-O 3.32Å
63	V	96.8	Very high	97.3	Very high	3 Å²	3	21 Å²	21	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-51.2	174.2	171.7	0	0	0	0	110.2	H59 A60 Y61 R65 S66 K67 I243 Q247	H59-V63 PolarHBondContact O-N 2.89Å; A60-V63 PolarHBondContact O-N 2.76Å; Y61-V63 PolarHBondContact O-N 2.75Å; V63-R65 VanDerWaalsContact C-N 3.34Å; V63-R65 PolarHBondContact O-N 3.41Å; V63-S66 WeakPolarHBondContact O-CA 3.44Å; V63-S66 WeakPolarHBondContact O-CB 3.49Å; V63-S66 PolarHBondContact O-N 2.8Å; V63-S66 PolarHBondContact O-OG 3.07Å; V63-K67 HydrophobicContact CG1-CG 4.46Å; V63-K67 VanDerWaalsContact O-CG 3.3Å; V63-K67 WeakPolarHBondContact O-CG 3.4Å; V63-K67 PolarHBondContact O-N 3.48Å; V63-I243 HydrophobicContact CB-CG2 4.5Å; V63-I243 HydrophobicContact CG2-CG2 3.72Å; V63-Q247 HydrophobicContact CG2-CB 3.88Å; V63-Q247 HydrophobicContact CG2-CG 4.31Å
64	L	97.5	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.7	-42.8	178.3	-64.4	-174.8	0	0	0	112.5	A39 L41 A60 Y61 S66 K67 G68 I69 I74 F145 Q289	A39-L64 HydrophobicContact CB-CD1 3.49Å; A39-L64 VanDerWaalsContact CB-CD1 3.49Å; L41-L64 HydrophobicContact CD1-CD1 4.24Å; L41-L64 HydrophobicContact CD2-CD1 3.93Å; L41-L64 HydrophobicContact CG-CD1 4.45Å; A60-L64 WeakPolarHBondContact O-CG 3.35Å; A60-L64 PolarHBondContact O-N 2.74Å; Y61-L64 PolarHBondContact O-N 2.9Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 2.75Å; L64-K67 CarbonylContact O-C 3.15Å; L64-K67 PolarHBondContact O-N 3.27Å; L64-G68 PolarHBondContact O-N 3.1Å; L64-I69 HydrophobicContact CB-CB 4.32Å; L64-I69 HydrophobicContact CB-CD1 4.19Å; L64-I69 HydrophobicContact CB-CG1 4.42Å; L64-I69 HydrophobicContact CD1-CD1 4.4Å; L64-I69 HydrophobicContact CD2-CD1 3.98Å; L64-I69 HydrophobicContact CG-CD1 4.42Å; L64-I69 PolarHBondContact O-N 3.22Å; L64-I69 VanDerWaalsContact O-N 3.08Å; L64-I74 HydrophobicContact CB-CD1 3.91Å; L64-F145 HydrophobicContact CD1-CD1 4.11Å; L64-F145 HydrophobicContact CD1-CE1 4.4Å; L64-F145 HydrophobicContact CD2-CD1 4.35Å; L64-F145 HydrophobicContact CD2-CE1 4.49Å; L64-Q289 HydrophobicContact CD2-CB 3.63Å; L64-Q289 HydrophobicContact CD2-CG 3.92Å
65	R	96.2	Very high	97.3	Very high	91 Å²	91	21 Å²	21	34%	0.343	10%	0.103	S	C	.	.	H	α-helix	trans	-61.4	-39.9	174	-71.9	-58.3	-52.8	-90.9	-1	112	Y61 H62 V63 K67 G68 I69 P71 I74 R292	Y61-R65 HydrophobicContact CD1-CG 4.05Å; Y61-R65 HydrophobicContact CE1-CG 3.64Å; Y61-R65 HydrophobicContact CE2-CG 4.22Å; Y61-R65 WeakPolarHBondContact O-CB 3.4Å; Y61-R65 VanDerWaalsContact O-CG 3.28Å; Y61-R65 WeakPolarHBondContact O-CG 3.45Å; Y61-R65 PolarHBondContact O-N 2.97Å; Y61-R65 PolarHBondContact OH-NH1 2.71Å; Y61-R65 VanDerWaalsContact OH-NH1 3.08Å; H62-R65 PolarHBondContact O-N 3.47Å; V63-R65 VanDerWaalsContact C-N 3.34Å; V63-R65 PolarHBondContact O-N 3.41Å; R65-K67 PolarHBondContact O-N 3.4Å; R65-G68 PolarHBondContact O-N 3.05Å; R65-I69 VanDerWaalsContact CD-O 3.27Å; R65-I69 WeakPolarHBondContact CD-O 3.17Å; R65-I69 PolarHBondContact NE-O 3.48Å; R65-P71 VanDerWaalsContact CZ-CG 3.49Å; R65-P71 VanDerWaalsContact NH1-CB 3.29Å; R65-I74 HydrophobicContact CG-CD1 3.98Å; R65-R292 PolarHBondContact O-NH2 3.18Å
66	S	94.7	Very high	97.3	Very high	27 Å²	27	21 Å²	21	19%	0.189	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-30.3	178.7	82.6	0	0	0	0	111.9	H62 V63 L64 R292	H62-S66 VanDerWaalsContact O-CB 3.29Å; H62-S66 WeakPolarHBondContact O-CB 3.35Å; H62-S66 PolarHBondContact O-N 3.17Å; V63-S66 WeakPolarHBondContact O-CA 3.44Å; V63-S66 WeakPolarHBondContact O-CB 3.49Å; V63-S66 PolarHBondContact O-N 2.8Å; V63-S66 PolarHBondContact O-OG 3.07Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 2.75Å; S66-R292 VanDerWaalsContact C-NH2 3.29Å; S66-R292 VanDerWaalsContact O-CZ 3.26Å; S66-R292 PolarHBondContact O-NE 2.04Å; S66-R292 PolarHBondContact O-NH2 2.9Å
67	K	94.6	Very high	97.3	Very high	10 Å²	10	21 Å²	21	4%	0.043	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.5	178.9	-58.3	-67.5	171.7	165.7	0	113.8	V63 L64 R65 S246 Q247 H249 L251 Q289 G290 S291 R292	V63-K67 HydrophobicContact CG1-CG 4.46Å; V63-K67 VanDerWaalsContact O-CG 3.3Å; V63-K67 WeakPolarHBondContact O-CG 3.4Å; V63-K67 PolarHBondContact O-N 3.48Å; L64-K67 CarbonylContact O-C 3.15Å; L64-K67 PolarHBondContact O-N 3.27Å; R65-K67 PolarHBondContact O-N 3.4Å; K67-S246 WeakPolarHBondContact CE-O 3.25Å; K67-S246 PolarHBondContact NZ-O 3.42Å; K67-S246 VanDerWaalsContact NZ-O 3.11Å; K67-Q247 PolarHBondContact NZ-O 2.78Å; K67-H249 PolarHBondContact NZ-O 2.99Å; K67-L251 HydrophobicContact CB-CD1 4.26Å; K67-L251 HydrophobicContact CD-CD1 3.82Å; K67-L251 HydrophobicContact CD-CG 4.11Å; K67-L251 HydrophobicContact CG-CD1 3.72Å; K67-Q289 WeakPolarHBondContact CB-O 3.31Å; K67-G290 CarbonylContact O-C 3.59Å; K67-G290 WeakPolarHBondContact O-CA 3.42Å; K67-S291 PolarHBondContact O-N 3.28Å; K67-S291 VanDerWaalsContact O-N 3.08Å; K67-R292 VanDerWaalsContact C-CB 3.49Å; K67-R292 VanDerWaalsContact O-CB 3.32Å; K67-R292 WeakPolarHBondContact O-CB 3.07Å; K67-R292 PolarHBondContact O-N 3.08Å
68	G	93.9	Very high	97.3	Very high	16 Å²	16	21 Å²	21	17%	0.165	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	-5.3	166.5	0	0	0	0	0	115.7	D34 L64 R65 K70	D34-G68 WeakPolarHBondContact OD2-CA 3.47Å; L64-G68 PolarHBondContact O-N 3.1Å; R65-G68 PolarHBondContact O-N 3.05Å; G68-K70 PolarHBondContact O-N 2.99Å
69	I	96.6	Very high	97.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	11%	0.113	C	C	.	.			trans	-65	129.1	173.5	-52.5	-167	0	0	0	109.2	K37 L64 R65 H73 I74 F288	K37-I69 HydrophobicContact CB-CD1 4.49Å; L64-I69 HydrophobicContact CB-CB 4.32Å; L64-I69 HydrophobicContact CB-CD1 4.19Å; L64-I69 HydrophobicContact CB-CG1 4.42Å; L64-I69 HydrophobicContact CD1-CD1 4.4Å; L64-I69 HydrophobicContact CD2-CD1 3.98Å; L64-I69 HydrophobicContact CG-CD1 4.42Å; L64-I69 PolarHBondContact O-N 3.22Å; L64-I69 VanDerWaalsContact O-N 3.08Å; R65-I69 VanDerWaalsContact CD-O 3.27Å; R65-I69 WeakPolarHBondContact CD-O 3.17Å; R65-I69 PolarHBondContact NE-O 3.48Å; I69-H73 HydrophobicContact CG2-CB 4.17Å; I69-I74 HydrophobicContact CB-CD1 4.24Å; I69-I74 HydrophobicContact CB-CG1 4.31Å; I69-I74 HydrophobicContact CG2-CD1 4.01Å; I69-I74 HydrophobicContact CG2-CG1 3.54Å; I69-F288 WeakPolarHBondContact CD1-O 3.34Å
70	K	95.3	Very high	97.3	Very high	82 Å²	82	25.4 Å²	25.4	36%	0.357	12%	0.122	S	C	.	.			trans	-77.2	146.2	-178.8	-66.5	175.9	174.7	175.8	0	111.1	N35 G68 E72 H73 I74	N35-K70 WeakPolarHBondContact OD1-CE 3.21Å; N35-K70 PolarHBondContact OD1-NZ 3.21Å; G68-K70 PolarHBondContact O-N 2.99Å; K70-E72 HydrophobicContact CB-CG 3.83Å; K70-E72 WeakPolarHBondContact CD-OE1 3.44Å; K70-E72 PolarHBondContact O-N 3.38Å; K70-H73 WeakPolarHBondContact O-CA 3.13Å; K70-H73 PolarHBondContact O-N 3.45Å; K70-I74 PolarHBondContact O-N 3.16Å
71	P	96	Very high	97.3	Very high	29 Å²	29	27.2 Å²	27.2	19%	0.188	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.5	-29.8	-179.8	19.7	-23.4	0	0	0	113.1	R65 H73 I74 V108 K134	R65-P71 VanDerWaalsContact CZ-CG 3.49Å; R65-P71 VanDerWaalsContact NH1-CB 3.29Å; P71-H73 PolarHBondContact O-N 3.04Å; P71-I74 PolarHBondContact O-N 2.88Å; P71-V108 HydrophobicContact CB-CG2 4.49Å; P71-K134 PolarHBondContact O-NZ 3.41Å
72	E	96.8	Very high	97.3	Very high	104 Å²	104	27.1 Å²	27.1	49%	0.486	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-62.4	-20.5	171.7	47.9	-93	-151.2	0	0	114	K70	K70-E72 HydrophobicContact CB-CG 3.83Å; K70-E72 WeakPolarHBondContact CD-OE1 3.44Å; K70-E72 PolarHBondContact O-N 3.38Å
73	H	98	Very high	97.3	Very high	28 Å²	28	24.9 Å²	24.9	13%	0.13	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-104.8	0.5	177.9	-65.1	-175.5	0	0	0	113.6	N35 K37 W38 A39 I69 K70 P71	N35-H73 PolarHBondContact O-CE1 3.42Å; K37-H73 VanDerWaalsContact O-CB 3.31Å; K37-H73 WeakPolarHBondContact O-CB 3.36Å; K37-H73 PolarHBondContact O-ND1 3.3Å; W38-H73 WeakPolarHBondContact CA-O 3.27Å; W38-H73 HydrophobicContact CD2-CB 4.15Å; W38-H73 HydrophobicContact CE3-CB 4.05Å; W38-H73 AromaticContact CH2-CD2 3.54Å; W38-H73 AromaticContact CZ2-CD2 3.63Å; W38-H73 AromaticContact CZ2-NE2 3.78Å; W38-H73 HydrophobicContact CZ3-CB 4.37Å; W38-H73 AromaticContact CZ3-CD2 3.93Å; A39-H73 PolarHBondContact N-O 2.83Å; I69-H73 HydrophobicContact CG2-CB 4.17Å; K70-H73 WeakPolarHBondContact O-CA 3.13Å; K70-H73 PolarHBondContact O-N 3.45Å; P71-H73 PolarHBondContact O-N 3.04Å
74	I	98.7	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125	171.1	-52.2	174.6	0	0	0	107.8	A39 L41 Y61 L64 R65 I69 K70 P71 K134	A39-I74 HydrophobicContact CB-CG1 4.26Å; A39-I74 HydrophobicContact CB-CG2 4.28Å; A39-I74 CarbonylContact O-C 3.6Å; A39-I74 WeakPolarHBondContact O-CA 3.42Å; L41-I74 HydrophobicContact CD1-CG2 3.82Å; L41-I74 HydrophobicContact CG-CG2 4.05Å; Y61-I74 HydrophobicContact CD2-CB 4.38Å; Y61-I74 HydrophobicContact CD2-CD1 4.06Å; Y61-I74 HydrophobicContact CD2-CG2 3.8Å; Y61-I74 HydrophobicContact CE2-CB 4.28Å; Y61-I74 HydrophobicContact CE2-CD1 4.04Å; Y61-I74 HydrophobicContact CE2-CG2 4.17Å; L64-I74 HydrophobicContact CB-CD1 3.91Å; R65-I74 HydrophobicContact CG-CD1 3.98Å; I69-I74 HydrophobicContact CB-CD1 4.24Å; I69-I74 HydrophobicContact CB-CG1 4.31Å; I69-I74 HydrophobicContact CG2-CD1 4.01Å; I69-I74 HydrophobicContact CG2-CG1 3.54Å; K70-I74 PolarHBondContact O-N 3.16Å; P71-I74 PolarHBondContact O-N 2.88Å; I74-K134 PolarHBondContact O-NZ 3.31Å
75	I	98.9	Very high	97.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.2	172.8	-60.7	149.2	0	0	0	107.8	A39 V40 L41 D110 Y111 V124 K134 V135 L136	A39-I75 PolarHBondContact O-N 3.36Å; V40-I75 CarbonylContact C-O 3.58Å; V40-I75 WeakPolarHBondContact CA-O 3.39Å; V40-I75 HydrophobicContact CG2-CB 4.44Å; V40-I75 HydrophobicContact CG2-CD1 4.19Å; L41-I75 PolarHBondContact N-O 3.43Å; I75-D110 WeakPolarHBondContact CA-OD2 3.33Å; I75-D110 HydrophobicContact CG2-CB 4.39Å; I75-Y111 HydrophobicContact CG2-CD2 4.36Å; I75-Y111 HydrophobicContact CG2-CE2 4Å; I75-V124 HydrophobicContact CB-CG1 4.44Å; I75-V124 HydrophobicContact CD1-CG1 4.05Å; I75-V124 HydrophobicContact CG2-CG1 3.76Å; I75-K134 HydrophobicContact CB-CD 4.43Å; I75-K134 HydrophobicContact CG1-CB 4.28Å; I75-K134 HydrophobicContact CG1-CD 3.51Å; I75-K134 HydrophobicContact CG1-CG 3.78Å; I75-V135 VanDerWaalsContact CD1-C 3.44Å; I75-L136 HydrophobicContact CD1-CB 4.07Å; I75-L136 HydrophobicContact CD1-CD1 4.39Å; I75-L136 VanDerWaalsContact CD1-N 3.34Å
76	T	98.9	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.4	-177.2	-57.6	0	0	0	0	111.1	L41 V57 M78 V107 V108 D110 Y111	L41-T76 WeakPolarHBondContact O-CA 3.35Å; V57-T76 HydrophobicContact CG1-CG2 3.66Å; T76-M78 HydrophobicContact CG2-CG 4.44Å; T76-M78 HydrophobicContact CG2-SD 4.49Å; T76-V107 HydrophobicContact CG2-CG1 4.3Å; T76-V108 WeakPolarHBondContact CB-O 3.37Å; T76-V108 PolarHBondContact OG1-O 3.48Å; T76-D110 PolarHBondContact N-OD2 2.87Å; T76-D110 PolarHBondContact O-N 3.35Å; T76-Y111 PolarHBondContact O-N 3.07Å
77	M	98.9	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.2	175.5	-56.3	-178.3	65.3	0	0	109	L41 V42 A43 Y111 V116 T120 F121 V124	L41-M77 PolarHBondContact O-N 2.95Å; V42-M77 CarbonylContact C-O 3.47Å; V42-M77 WeakPolarHBondContact CA-O 3.31Å; V42-M77 HydrophobicContact CB-CB 4.5Å; V42-M77 HydrophobicContact CG1-CB 4.22Å; V42-M77 HydrophobicContact CG2-CB 4.24Å; V42-M77 HydrophobicContact CG2-CG 4.42Å; V42-M77 HydrophobicContact CG2-SD 4.13Å; A43-M77 PolarHBondContact N-O 3.21Å; M77-Y111 HydrophobicContact CE-CG 4.35Å; M77-Y111 HydrophobicContact CG-CD2 3.69Å; M77-Y111 HydrophobicContact CG-CG 4.16Å; M77-Y111 HydrophobicContact SD-CD2 4.4Å; M77-V116 HydrophobicContact CB-CG1 4.49Å; M77-V116 HydrophobicContact CB-CG2 4.47Å; M77-T120 HydrophobicContact CE-CG2 4.02Å; M77-F121 HydrophobicContact CE-CB 4Å; M77-F121 HydrophobicContact SD-CB 4.02Å; M77-F121 HydrophobicContact SD-CD2 4.01Å; M77-V124 HydrophobicContact SD-CG2 4.36Å
78	M	98.7	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.			trans	-153.4	145.5	173.3	67	-177.7	-159.5	0	0	110.6	A43 Q54 V57 C58 T76 D80 Y104 V107 I109 Y111 R112	A43-M78 HydrophobicContact CB-CB 3.82Å; Q54-M78 HydrophobicContact CB-SD 4.33Å; Q54-M78 HydrophobicContact CG-CB 4.24Å; V57-M78 HydrophobicContact CG1-SD 4.15Å; C58-M78 VanDerWaalsContact SG-CE 3.59Å; T76-M78 HydrophobicContact CG2-CG 4.44Å; T76-M78 HydrophobicContact CG2-SD 4.49Å; M78-D80 PolarHBondContact O-N 2.9Å; M78-Y104 HydrophobicContact CE-CD2 4.1Å; M78-Y104 HydrophobicContact CE-CE2 3.86Å; M78-V107 HydrophobicContact CE-CG1 4.35Å; M78-I109 HydrophobicContact CE-CD1 3.16Å; M78-I109 HydrophobicContact CE-CG1 3.52Å; M78-I109 HydrophobicContact CG-CD1 4.22Å; M78-I109 HydrophobicContact CG-CG1 4.19Å; M78-I109 HydrophobicContact CG-CG2 3.8Å; M78-I109 HydrophobicContact SD-CD1 4.43Å; M78-I109 HydrophobicContact SD-CG1 4.4Å; M78-Y111 PolarHBondContact N-O 3.22Å; M78-Y111 VanDerWaalsContact N-O 3.13Å; M78-R112 WeakPolarHBondContact O-CA 3.5Å
79	Y	98.6	Very high	97.8	Very high	54 Å²	54	43.6 Å²	43.6	21%	0.212	21%	0.212	C	C	.	.			trans	-62.9	-29.1	-169.8	-159.4	-86.7	0	0	0	113	N46 D81 G113 P160	N46-Y79 HydrophobicContact CB-CD1 3.64Å; N46-Y79 HydrophobicContact CB-CD2 3.75Å; N46-Y79 HydrophobicContact CB-CE1 4.05Å; N46-Y79 HydrophobicContact CB-CE2 4.13Å; N46-Y79 HydrophobicContact CB-CG 3.47Å; N46-Y79 VanDerWaalsContact CB-CG 3.47Å; Y79-D81 HydrophobicContact CD1-CB 3.74Å; Y79-D81 HydrophobicContact CE1-CB 4.23Å; Y79-G113 WeakPolarHBondContact CD2-O 3.48Å; Y79-G113 VanDerWaalsContact CE2-C 3.42Å; Y79-G113 PolarHBondContact O-N 3.22Å; Y79-P160 HydrophobicContact CD2-CB 3.95Å; Y79-P160 HydrophobicContact CD2-CG 3.85Å; Y79-P160 HydrophobicContact CE2-CB 4.08Å; Y79-P160 HydrophobicContact CE2-CG 4.43Å
80	D	98.6	Very high	97.9	Very high	39 Å²	39	46.5 Å²	46.5	21%	0.209	23%	0.225	C	C	.	.			trans	68.2	43.9	173.9	-162.7	23.9	0	0	0	113.8	M78 Y104 I109 R112	M78-D80 PolarHBondContact O-N 2.9Å; D80-Y104 WeakPolarHBondContact OD1-CE2 3.31Å; D80-Y104 VanDerWaalsContact OD1-CZ 3.29Å; D80-Y104 PolarHBondContact OD1-OH 3.44Å; D80-Y104 PolarHBondContact OD2-OH 3.21Å; D80-I109 HydrophobicContact CB-CD1 4.05Å; D80-I109 VanDerWaalsContact CG-CD1 3.44Å; D80-I109 WeakPolarHBondContact OD2-CD1 3.25Å; D80-R112 HydrophobicContact CB-CB 4.43Å; D80-R112 HydrophobicContact CB-CG 3.89Å; D80-R112 VanDerWaalsContact OD2-CD 3.26Å; D80-R112 WeakPolarHBondContact OD2-CD 3.31Å; D80-R112 IonicContact OD2-CZ 2.67Å; D80-R112 IonicContact OD2-NE 3.82Å; D80-R112 PolarHBondContact OD2-NE 3.42Å
81	D	98.6	Very high	98	Very high	38 Å²	38	47.1 Å²	47.1	20%	0.203	24%	0.237	C	C	.	.			trans	-120.2	8.7	-177	67.1	-32	0	0	0	114.7	N46 G47 Q54 Y79 N85	N46-D81 WeakPolarHBondContact CB-OD2 3.47Å; G47-D81 WeakPolarHBondContact CA-OD2 3.45Å; G47-D81 PolarHBondContact N-OD2 3.31Å; Q54-D81 PolarHBondContact NE2-OD1 3.01Å; Y79-D81 HydrophobicContact CD1-CB 3.74Å; Y79-D81 HydrophobicContact CE1-CB 4.23Å; D81-N85 WeakPolarHBondContact O-CB 3.42Å; D81-N85 PolarHBondContact O-ND2 3.43Å
82	I	98.7	Very high	98.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-100.8	-44.2	-175.8	-49.9	-62.9	0	0	0	112.2	G47 Y51 Q54 Y84 N85 N88 L94	G47-I82 VanDerWaalsContact C-CD1 3.43Å; G47-I82 VanDerWaalsContact O-CD1 3.29Å; G47-I82 WeakPolarHBondContact O-CD1 3.29Å; Y51-I82 HydrophobicContact CD2-CG2 3.17Å; Y51-I82 HydrophobicContact CE2-CG2 3.67Å; Y51-I82 HydrophobicContact CG-CG2 3.7Å; Q54-I82 HydrophobicContact CB-CG1 4.39Å; Q54-I82 VanDerWaalsContact CD-CG1 3.48Å; Q54-I82 HydrophobicContact CG-CG1 4.23Å; I82-Y84 VanDerWaalsContact C-N 3.27Å; I82-Y84 PolarHBondContact O-N 3.09Å; I82-N85 VanDerWaalsContact O-CB 3.29Å; I82-N85 WeakPolarHBondContact O-CB 3.4Å; I82-N85 PolarHBondContact O-N 3.19Å; I82-N88 WeakPolarHBondContact O-CB 3.38Å; I82-N88 PolarHBondContact O-ND2 3.24Å; I82-N88 VanDerWaalsContact O-ND2 3.11Å; I82-L94 HydrophobicContact CB-CD2 3.73Å; I82-L94 HydrophobicContact CG2-CD2 3.36Å
83	A	98.4	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.1	-174.7	0	0	0	0	0	112.4	N88 P91 G92 L94 Y104	A83-N88 PolarHBondContact O-ND2 2.85Å; A83-P91 CarbonylContact O-C 3.58Å; A83-G92 PolarHBondContact O-N 3.46Å; A83-L94 HydrophobicContact CB-CD2 4.38Å; A83-L94 HydrophobicContact CB-CG 4.13Å; A83-Y104 HydrophobicContact CB-CD1 3.73Å; A83-Y104 HydrophobicContact CB-CD2 3.79Å; A83-Y104 HydrophobicContact CB-CE1 3.59Å; A83-Y104 HydrophobicContact CB-CE2 3.64Å; A83-Y104 HydrophobicContact CB-CG 3.81Å
84	Y	98.3	Very high	98.2	Very high	169 Å²	169	44.6 Å²	44.6	66%	0.663	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	18.8	176.9	-67	-81.3	0	0	0	113.5	I82 P91 Y104	I82-Y84 VanDerWaalsContact C-N 3.27Å; I82-Y84 PolarHBondContact O-N 3.09Å; Y84-P91 HydrophobicContact CD1-CB 4.48Å; Y84-Y104 HydrophobicContact CE2-CE1 4.2Å
85	N	98.4	Very high	98.2	Very high	33 Å²	33	44.8 Å²	44.8	18%	0.176	23%	0.226	C	C	.	.			trans	-63.4	140.8	176.4	-159.2	-78.2	0	0	0	110.6	Y48 D81 I82 M87 N88	Y48-N85 HydrophobicContact CD2-CB 4.18Å; D81-N85 WeakPolarHBondContact O-CB 3.42Å; D81-N85 PolarHBondContact O-ND2 3.43Å; I82-N85 VanDerWaalsContact O-CB 3.29Å; I82-N85 WeakPolarHBondContact O-CB 3.4Å; I82-N85 PolarHBondContact O-N 3.19Å; N85-M87 PolarHBondContact O-N 2.74Å; N85-M87 VanDerWaalsContact O-N 3.16Å; N85-M87 WeakPolarHBondContact OD1-CB 3.49Å; N85-M87 PolarHBondContact OD1-N 2.86Å; N85-N88 HydrophobicContact CB-CB 4.18Å; N85-N88 WeakPolarHBondContact O-CB 3.31Å; N85-N88 PolarHBondContact O-N 2.83Å
86	L	96.9	Very high	98.2	Very high	182 Å²	182	44.8 Å²	44.8	95%	0.953	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.1	177	-65.1	176.2	0	0	0	113.1
87	M	95.8	Very high	98.1	Very high	87 Å²	87	45.2 Å²	45.2	43%	0.429	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.5	174.5	-67	-178.4	-82.9	0	0	113.3	Y48 N85 P89 Q323	Y48-M87 HydrophobicContact CD1-CB 3.8Å; Y48-M87 HydrophobicContact CD1-CE 4.26Å; Y48-M87 HydrophobicContact CD1-SD 4.04Å; Y48-M87 HydrophobicContact CD2-CB 3.73Å; Y48-M87 HydrophobicContact CE1-CB 3.98Å; Y48-M87 VanDerWaalsContact CE2-C 3.44Å; Y48-M87 HydrophobicContact CE2-CB 3.89Å; Y48-M87 VanDerWaalsContact CE2-O 3.31Å; Y48-M87 WeakPolarHBondContact CE2-O 3.26Å; Y48-M87 HydrophobicContact CG-CB 3.66Å; Y48-M87 HydrophobicContact CG-CE 3.98Å; Y48-M87 HydrophobicContact CG-SD 4.28Å; Y48-M87 VanDerWaalsContact CZ-O 3.23Å; Y48-M87 PolarHBondContact OH-O 2.84Å; Y48-M87 VanDerWaalsContact OH-O 3.07Å; N85-M87 PolarHBondContact O-N 2.74Å; N85-M87 VanDerWaalsContact O-N 3.16Å; N85-M87 WeakPolarHBondContact OD1-CB 3.49Å; N85-M87 PolarHBondContact OD1-N 2.86Å; M87-P89 VanDerWaalsContact O-CD 3.28Å; M87-P89 WeakPolarHBondContact O-CD 3.46Å; M87-Q323 PolarHBondContact SD-NE2 3.08Å
88	N	98	Very high	98	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	23%	0.234	C	C	.	.			trans	-82.6	113	175.5	-173.1	-0.8	0	0	0	109.8	Y48 I82 A83 N85 F90 K93	Y48-N88 HydrophobicContact CE2-CB 4.03Å; I82-N88 WeakPolarHBondContact O-CB 3.38Å; I82-N88 PolarHBondContact O-ND2 3.24Å; I82-N88 VanDerWaalsContact O-ND2 3.11Å; A83-N88 PolarHBondContact O-ND2 2.85Å; N85-N88 HydrophobicContact CB-CB 4.18Å; N85-N88 WeakPolarHBondContact O-CB 3.31Å; N85-N88 PolarHBondContact O-N 2.83Å; N88-F90 PolarHBondContact ND2-O 3.41Å; N88-F90 PolarHBondContact O-N 3.35Å; N88-F90 VanDerWaalsContact O-N 3.16Å; N88-F90 PolarHBondContact OD1-N 2.82Å; N88-F90 VanDerWaalsContact OD1-N 3.09Å; N88-K93 PolarHBondContact ND2-O 3.43Å
89	P	97.1	Very high	97.8	Very high	65 Å²	65	49.5 Å²	49.5	42%	0.422	25%	0.249	S	C	.	.	S	Bend	trans	-69.8	-8.9	-179.9	29	-34.4	0	0	0	113.4	M87 P91 I230	M87-P89 VanDerWaalsContact O-CD 3.28Å; M87-P89 WeakPolarHBondContact O-CD 3.46Å; P89-P91 WeakPolarHBondContact O-CD 3.33Å; P89-I230 HydrophobicContact CG-CG1 4.07Å
90	F	98.3	Very high	97.7	Very high	62 Å²	62	49.7 Å²	49.7	27%	0.272	25%	0.252	S	S	.	.	S	Bend	trans	-119.1	82.1	177.3	-55.1	-83.2	0	0	0	110.6	N88 G92 K93 F95 T229 I230	N88-F90 PolarHBondContact ND2-O 3.41Å; N88-F90 PolarHBondContact O-N 3.35Å; N88-F90 VanDerWaalsContact O-N 3.16Å; N88-F90 PolarHBondContact OD1-N 2.82Å; N88-F90 VanDerWaalsContact OD1-N 3.09Å; F90-G92 PolarHBondContact O-N 3.48Å; F90-K93 HydrophobicContact CB-CB 4.07Å; F90-K93 HydrophobicContact CB-CD 4.42Å; F90-K93 HydrophobicContact CB-CG 4.47Å; F90-K93 PolarHBondContact O-N 2.92Å; F90-K93 VanDerWaalsContact O-N 3.12Å; F90-F95 HydrophobicContact CB-CE2 4.16Å; F90-F95 HydrophobicContact CB-CZ 4.11Å; F90-F95 HydrophobicContact CD1-CE2 4.25Å; F90-F95 HydrophobicContact CD1-CZ 4.29Å; F90-F95 HydrophobicContact CD2-CD2 4.34Å; F90-F95 AromaticContact CD2-CE2 3.45Å; F90-F95 HydrophobicContact CD2-CE2 3.45Å; F90-F95 VanDerWaalsContact CD2-CE2 3.45Å; F90-F95 HydrophobicContact CD2-CZ 4.18Å; F90-F95 AromaticContact CE2-CE2 3.8Å; F90-F95 HydrophobicContact CE2-CE2 3.8Å; F90-F95 AromaticContact CG-CE2 3.69Å; F90-F95 HydrophobicContact CG-CE2 3.69Å; F90-F95 AromaticContact CG-CZ 3.94Å; F90-F95 HydrophobicContact CG-CZ 3.94Å; F90-F95 HydrophobicContact CZ-CE2 4.33Å; F90-T229 VanDerWaalsContact CE2-OG1 3.31Å; F90-T229 WeakPolarHBondContact CE2-OG1 3.45Å; F90-I230 HydrophobicContact CD2-CD1 4.23Å; F90-I230 HydrophobicContact CD2-CG1 4.32Å; F90-I230 HydrophobicContact CE2-CD1 4.31Å; F90-I230 HydrophobicContact CE2-CG1 4.23Å
91	P	98.2	Very high	97.6	Very high	94 Å²	94	52 Å²	52	61%	0.61	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	131.7	-179.1	-25	34.1	0	0	0	112.2	A83 Y84 P89 K93	A83-P91 CarbonylContact O-C 3.58Å; Y84-P91 HydrophobicContact CD1-CB 4.48Å; P89-P91 WeakPolarHBondContact O-CD 3.33Å; P91-K93 VanDerWaalsContact C-N 3.34Å
92	G	98.2	Very high	97.6	Very high	13 Å²	13	51.8 Å²	51.8	13%	0.134	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	11	-179.6	0	0	0	0	0	115	A83 F90 Y104	A83-G92 PolarHBondContact O-N 3.46Å; F90-G92 PolarHBondContact O-N 3.48Å; G92-Y104 WeakPolarHBondContact O-CD1 3.21Å
93	K	98.6	Very high	97.5	Very high	95 Å²	95	52.4 Å²	52.4	41%	0.413	26%	0.261	S	S	.	.			trans	-127.4	146.8	-179	-55.6	-166.5	171.9	-173.9	0	113	N88 F90 P91 F95 D102	N88-K93 PolarHBondContact ND2-O 3.43Å; F90-K93 HydrophobicContact CB-CB 4.07Å; F90-K93 HydrophobicContact CB-CD 4.42Å; F90-K93 HydrophobicContact CB-CG 4.47Å; F90-K93 PolarHBondContact O-N 2.92Å; F90-K93 VanDerWaalsContact O-N 3.12Å; P91-K93 VanDerWaalsContact C-N 3.34Å; K93-F95 HydrophobicContact CB-CE1 3.8Å; K93-F95 HydrophobicContact CB-CZ 3.96Å; K93-F95 HydrophobicContact CD-CE1 4.02Å; K93-F95 HydrophobicContact CD-CZ 3.95Å; K93-D102 WeakPolarHBondContact CA-OD1 3.48Å; K93-D102 HydrophobicContact CB-CB 4.43Å; K93-D102 HydrophobicContact CD-CB 4.39Å; K93-D102 HydrophobicContact CG-CB 4.46Å; K93-D102 WeakPolarHBondContact CG-OD2 3.28Å
94	L	98.1	Very high	97.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.			trans	-132.1	133.4	169.1	-63.7	178.7	0	0	0	111.5	Y51 Q54 I82 A83 D102 W103 Y104	Y51-L94 HydrophobicContact CD2-CD2 4.36Å; Y51-L94 HydrophobicContact CE1-CD2 4.19Å; Y51-L94 HydrophobicContact CE2-CD2 3.77Å; Y51-L94 WeakPolarHBondContact OH-CA 3.47Å; Q54-L94 HydrophobicContact CB-CD1 4.24Å; I82-L94 HydrophobicContact CB-CD2 3.73Å; I82-L94 HydrophobicContact CG2-CD2 3.36Å; A83-L94 HydrophobicContact CB-CD2 4.38Å; A83-L94 HydrophobicContact CB-CG 4.13Å; L94-D102 PolarHBondContact N-OD1 3.08Å; L94-D102 WeakPolarHBondContact O-CA 3.17Å; L94-W103 PolarHBondContact O-N 3.03Å; L94-Y104 HydrophobicContact CD1-CD2 3.67Å; L94-Y104 HydrophobicContact CD1-CE2 4.42Å; L94-Y104 HydrophobicContact CD1-CG 4.34Å; L94-Y104 HydrophobicContact CG-CD2 4.08Å; L94-Y104 HydrophobicContact CG-CG 4.27Å
95	F	98.5	Very high	97.5	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-116.5	144.3	-176	-52.6	-36.9	0	0	0	110.6	Y51 A55 F90 K93 H100 K101 D102 I230	Y51-F95 VanDerWaalsContact CE1-O 3.26Å; Y51-F95 WeakPolarHBondContact CE1-O 3.27Å; Y51-F95 PolarHBondContact OH-N 3.33Å; A55-F95 WeakPolarHBondContact CB-O 3.49Å; F90-F95 HydrophobicContact CB-CE2 4.16Å; F90-F95 HydrophobicContact CB-CZ 4.11Å; F90-F95 HydrophobicContact CD1-CE2 4.25Å; F90-F95 HydrophobicContact CD1-CZ 4.29Å; F90-F95 HydrophobicContact CD2-CD2 4.34Å; F90-F95 AromaticContact CD2-CE2 3.45Å; F90-F95 HydrophobicContact CD2-CE2 3.45Å; F90-F95 VanDerWaalsContact CD2-CE2 3.45Å; F90-F95 HydrophobicContact CD2-CZ 4.18Å; F90-F95 AromaticContact CE2-CE2 3.8Å; F90-F95 HydrophobicContact CE2-CE2 3.8Å; F90-F95 AromaticContact CG-CE2 3.69Å; F90-F95 HydrophobicContact CG-CE2 3.69Å; F90-F95 AromaticContact CG-CZ 3.94Å; F90-F95 HydrophobicContact CG-CZ 3.94Å; F90-F95 HydrophobicContact CZ-CE2 4.33Å; K93-F95 HydrophobicContact CB-CE1 3.8Å; K93-F95 HydrophobicContact CB-CZ 3.96Å; K93-F95 HydrophobicContact CD-CE1 4.02Å; K93-F95 HydrophobicContact CD-CZ 3.95Å; F95-H100 VanDerWaalsContact CD1-C 3.46Å; F95-H100 HydrophobicContact CD1-CB 4.19Å; F95-H100 WeakPolarHBondContact CD1-O 3.19Å; F95-H100 HydrophobicContact CD2-CB 3.82Å; F95-H100 AromaticContact CD2-CD2 3.42Å; F95-H100 VanDerWaalsContact CD2-CD2 3.42Å; F95-H100 WeakPolarHBondContact CD2-CD2 3.19Å; F95-H100 AromaticContact CD2-CG 3.63Å; F95-H100 HydrophobicContact CE1-CB 4.12Å; F95-H100 WeakPolarHBondContact CE1-O 3.27Å; F95-H100 HydrophobicContact CE2-CB 3.74Å; F95-H100 AromaticContact CE2-CD2 3.93Å; F95-H100 AromaticContact CE2-CG 3.68Å; F95-H100 HydrophobicContact CG-CB 4.06Å; F95-H100 HydrophobicContact CZ-CB 3.9Å; F95-K101 WeakPolarHBondContact CD1-O 3.32Å; F95-D102 HydrophobicContact CE1-CB 4.18Å; F95-I230 HydrophobicContact CD2-CD1 3.65Å; F95-I230 HydrophobicContact CE2-CD1 4.27Å
96	N	97.9	Very high	97.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-114.2	4.5	-179	-162.4	-129.1	0	0	0	113.1	A55 D56 H59 W103 F224 L234 A235 Y240	A55-N96 HydrophobicContact CB-CB 4.45Å; D56-N96 PolarHBondContact N-ND2 3.03Å; D56-N96 PolarHBondContact OD1-ND2 3.22Å; H59-N96 HydrophobicContact CB-CB 4.06Å; H59-N96 PolarHBondContact ND1-OD1 2.96Å; N96-W103 HydrophobicContact CB-CG 4.48Å; N96-F224 WeakPolarHBondContact O-CD2 3.37Å; N96-L234 PolarHBondContact ND2-O 3.05Å; N96-A235 VanDerWaalsContact ND2-CB 3.26Å; N96-A235 WeakPolarHBondContact ND2-CB 3.39Å; N96-Y240 WeakPolarHBondContact O-CD2 3.41Å; N96-Y240 VanDerWaalsContact O-CE2 3.3Å; N96-Y240 WeakPolarHBondContact O-CE2 3.31Å; N96-Y240 WeakPolarHBondContact OD1-CD2 3.42Å
97	D	97.7	Very high	97.6	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.053	25%	0.248	C	C	.	.	S	Bend	trans	-163.5	-176.3	170.7	58	34.5	0	0	0	110.3	N99 H100 F224 L234 Y240 M304	D97-N99 PolarHBondContact O-N 3.04Å; D97-N99 VanDerWaalsContact OD1-CB 3.29Å; D97-N99 WeakPolarHBondContact OD1-CB 3.49Å; D97-N99 PolarHBondContact OD1-N 2.86Å; D97-H100 PolarHBondContact O-N 2.82Å; D97-F224 HydrophobicContact CB-CD1 4.39Å; D97-F224 HydrophobicContact CB-CD2 3.99Å; D97-F224 HydrophobicContact CB-CE1 4.18Å; D97-F224 HydrophobicContact CB-CE2 3.79Å; D97-F224 HydrophobicContact CB-CG 4.31Å; D97-F224 HydrophobicContact CB-CZ 3.88Å; D97-L234 VanDerWaalsContact O-CD1 3.27Å; D97-L234 WeakPolarHBondContact O-CD1 3.42Å; D97-Y240 HydrophobicContact CB-CE2 3.91Å; D97-Y240 PolarHBondContact OD2-OH 3.38Å; D97-M304 HydrophobicContact CB-CB 4.45Å
98	Y	96.9	Very high	97.7	Very high	33 Å²	33	45.3 Å²	45.3	13%	0.129	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	1.1	-178.7	-54.7	-44.3	0	0	0	115	H100 F224 C225 G226 D227 L234 M304 R307 H308	Y98-H100 PolarHBondContact O-N 2.81Å; Y98-F224 HydrophobicContact CD1-CB 4.28Å; Y98-F224 AromaticContact CD2-CD1 3.88Å; Y98-F224 HydrophobicContact CD2-CD1 3.88Å; Y98-F224 HydrophobicContact CE1-CB 3.73Å; Y98-F224 HydrophobicContact CE1-CD1 4.42Å; Y98-F224 WeakPolarHBondContact CE1-O 3.21Å; Y98-F224 HydrophobicContact CE2-CB 4.41Å; Y98-F224 AromaticContact CE2-CD1 3.7Å; Y98-F224 HydrophobicContact CE2-CD1 3.7Å; Y98-F224 HydrophobicContact CG-CD1 4.32Å; Y98-F224 AromaticContact CZ-CD1 3.98Å; Y98-F224 WeakPolarHBondContact OH-CA 3.29Å; Y98-F224 PolarHBondContact OH-O 3Å; Y98-C225 PolarHBondContact OH-N 3.34Å; Y98-G226 VanDerWaalsContact OH-CA 3.31Å; Y98-G226 WeakPolarHBondContact OH-CA 3.46Å; Y98-G226 PolarHBondContact OH-N 3.25Å; Y98-D227 HydrophobicContact CD1-CB 4.04Å; Y98-D227 WeakPolarHBondContact CD1-OD2 3.42Å; Y98-D227 HydrophobicContact CE1-CB 3.79Å; Y98-L234 HydrophobicContact CD1-CD1 3.87Å; Y98-L234 HydrophobicContact CE1-CD1 4.19Å; Y98-M304 HydrophobicContact CD2-SD 3.52Å; Y98-M304 VanDerWaalsContact CD2-SD 3.52Å; Y98-M304 HydrophobicContact CG-SD 4.11Å; Y98-R307 HydrophobicContact CE2-CG 3.81Å; Y98-H308 AromaticContact CE2-ND1 3.75Å; Y98-H308 AromaticContact CZ-ND1 3.64Å; Y98-H308 PolarHBondContact OH-ND1 3.24Å
99	N	94.9	Very high	97.7	Very high	56 Å²	56	45.6 Å²	45.6	30%	0.299	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.4	171.5	-67.6	-16.2	0	0	0	111.6	D97 K101 E301 M304	D97-N99 PolarHBondContact O-N 3.04Å; D97-N99 VanDerWaalsContact OD1-CB 3.29Å; D97-N99 WeakPolarHBondContact OD1-CB 3.49Å; D97-N99 PolarHBondContact OD1-N 2.86Å; N99-K101 PolarHBondContact O-N 3Å; N99-K101 VanDerWaalsContact O-N 3.13Å; N99-E301 VanDerWaalsContact CB-OE2 3.23Å; N99-E301 WeakPolarHBondContact CB-OE2 3.35Å; N99-E301 PolarHBondContact ND2-OE2 2.67Å; N99-M304 WeakPolarHBondContact OD1-CE 3.05Å
100	H	96	Very high	97.8	Very high	59 Å²	59	44.4 Å²	44.4	27%	0.273	24%	0.237	S	C	.	.			trans	55	31.9	178.3	-65.3	174.5	0	0	0	113.5	F95 D97 Y98 D102 D227	F95-H100 VanDerWaalsContact CD1-C 3.46Å; F95-H100 HydrophobicContact CD1-CB 4.19Å; F95-H100 WeakPolarHBondContact CD1-O 3.19Å; F95-H100 HydrophobicContact CD2-CB 3.82Å; F95-H100 AromaticContact CD2-CD2 3.42Å; F95-H100 VanDerWaalsContact CD2-CD2 3.42Å; F95-H100 WeakPolarHBondContact CD2-CD2 3.19Å; F95-H100 AromaticContact CD2-CG 3.63Å; F95-H100 HydrophobicContact CE1-CB 4.12Å; F95-H100 WeakPolarHBondContact CE1-O 3.27Å; F95-H100 HydrophobicContact CE2-CB 3.74Å; F95-H100 AromaticContact CE2-CD2 3.93Å; F95-H100 AromaticContact CE2-CG 3.68Å; F95-H100 HydrophobicContact CG-CB 4.06Å; F95-H100 HydrophobicContact CZ-CB 3.9Å; D97-H100 PolarHBondContact O-N 2.82Å; Y98-H100 PolarHBondContact O-N 2.81Å; H100-D102 PolarHBondContact O-N 3.19Å; H100-D227 IonicContact CD2-OD2 2.89Å; H100-D227 IonicContact CE1-OD2 2.87Å; H100-D227 PolarHBondContact CE1-OD2 2.9Å; H100-D227 IonicContact NE2-OD1 2.67Å; H100-D227 IonicContact NE2-OD2 2.82Å; H100-D227 PolarHBondContact NE2-OD2 3.25Å
101	K	95.8	Very high	97.8	Very high	87 Å²	87	41.7 Å²	41.7	38%	0.378	23%	0.225	S	C	.	.			trans	-67.2	122.9	166.3	178.9	171.3	174.8	-179.3	0	108.6	F95 N99 W103	F95-K101 WeakPolarHBondContact CD1-O 3.32Å; N99-K101 PolarHBondContact O-N 3Å; N99-K101 VanDerWaalsContact O-N 3.13Å; K101-W103 HydrophobicContact CD-CH2 3.88Å; K101-W103 HydrophobicContact CD-CZ2 3.63Å; K101-W103 HydrophobicContact CD-CZ3 4.39Å; K101-W103 HydrophobicContact CG-CD2 4.49Å; K101-W103 HydrophobicContact CG-CZ2 4.26Å; K101-W103 PolarHBondContact O-N 2.94Å
102	D	97.9	Very high	97.8	Very high	34 Å²	34	42.7 Å²	42.7	18%	0.182	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-71.1	117.2	176.2	-171.3	11.9	0	0	0	110.4	K93 L94 F95 H100 Y104	K93-D102 WeakPolarHBondContact CA-OD1 3.48Å; K93-D102 HydrophobicContact CB-CB 4.43Å; K93-D102 HydrophobicContact CD-CB 4.39Å; K93-D102 HydrophobicContact CG-CB 4.46Å; K93-D102 WeakPolarHBondContact CG-OD2 3.28Å; L94-D102 PolarHBondContact N-OD1 3.08Å; L94-D102 WeakPolarHBondContact O-CA 3.17Å; F95-D102 HydrophobicContact CE1-CB 4.18Å; H100-D102 PolarHBondContact O-N 3.19Å; D102-Y104 VanDerWaalsContact OD1-CB 3.29Å; D102-Y104 WeakPolarHBondContact OD1-CB 3.38Å; D102-Y104 PolarHBondContact OD1-N 3.18Å
103	W	97.9	Very high	97.8	Very high	13 Å²	13	42.8 Å²	42.8	5%	0.049	22%	0.218	C	C	.	.			trans	-100.3	-6.9	175.3	-64	109	0	0	0	112.3	C58 H59 H62 L94 N96 K101 V107	C58-W103 HydrophobicContact CB-CB 3.84Å; C58-W103 VanDerWaalsContact CB-O 3.27Å; C58-W103 WeakPolarHBondContact CB-O 3.31Å; H59-W103 HydrophobicContact CB-CD2 4.03Å; H59-W103 HydrophobicContact CB-CE3 4.45Å; H59-W103 HydrophobicContact CB-CG 4.07Å; H59-W103 AromaticContact CD2-CD2 3.79Å; H59-W103 AromaticContact CD2-CE2 3.56Å; H59-W103 AromaticContact CD2-CE3 3.78Å; H59-W103 AromaticContact CD2-CH2 3.26Å; H59-W103 WeakPolarHBondContact CD2-CH2 3.36Å; H59-W103 AromaticContact CD2-CZ2 3.31Å; H59-W103 WeakPolarHBondContact CD2-CZ2 3.42Å; H59-W103 AromaticContact CD2-CZ3 3.53Å; H59-W103 AromaticContact CE1-CZ2 3.8Å; H59-W103 AromaticContact CG-CD2 3.94Å; H59-W103 AromaticContact CG-CE2 3.74Å; H59-W103 AromaticContact CG-CZ2 3.91Å; H59-W103 AromaticContact NE2-CE2 3.9Å; H59-W103 AromaticContact NE2-CH2 3.32Å; H59-W103 VanDerWaalsContact NE2-CH2 3.32Å; H59-W103 WeakPolarHBondContact NE2-CH2 3.46Å; H59-W103 AromaticContact NE2-CZ2 3.24Å; H59-W103 WeakPolarHBondContact NE2-CZ2 3.41Å; H62-W103 HydrophobicContact CB-CE3 3.68Å; H62-W103 HydrophobicContact CB-CZ3 3.61Å; H62-W103 AromaticContact CD2-CE3 3.77Å; H62-W103 PolarHBondContact CD2-O 3.03Å; H62-W103 AromaticContact CG-CE3 3.87Å; H62-W103 PolarHBondContact NE2-O 2.94Å; H62-W103 VanDerWaalsContact NE2-O 3.08Å; L94-W103 PolarHBondContact O-N 3.03Å; N96-W103 HydrophobicContact CB-CG 4.48Å; K101-W103 HydrophobicContact CD-CH2 3.88Å; K101-W103 HydrophobicContact CD-CZ2 3.63Å; K101-W103 HydrophobicContact CD-CZ3 4.39Å; K101-W103 HydrophobicContact CG-CD2 4.49Å; K101-W103 HydrophobicContact CG-CZ2 4.26Å; K101-W103 PolarHBondContact O-N 2.94Å; W103-V107 WeakPolarHBondContact O-CG2 3.32Å
104	Y	98.7	Very high	97.8	Very high	37 Å²	37	46 Å²	46	15%	0.145	23%	0.232	C	C	.	.	S	Bend	trans	-77	-40.5	-179.8	-174.7	-109.5	0	0	0	112.2	M78 D80 A83 Y84 G92 L94 D102 G106 V107 I109	M78-Y104 HydrophobicContact CE-CD2 4.1Å; M78-Y104 HydrophobicContact CE-CE2 3.86Å; D80-Y104 WeakPolarHBondContact OD1-CE2 3.31Å; D80-Y104 VanDerWaalsContact OD1-CZ 3.29Å; D80-Y104 PolarHBondContact OD1-OH 3.44Å; D80-Y104 PolarHBondContact OD2-OH 3.21Å; A83-Y104 HydrophobicContact CB-CD1 3.73Å; A83-Y104 HydrophobicContact CB-CD2 3.79Å; A83-Y104 HydrophobicContact CB-CE1 3.59Å; A83-Y104 HydrophobicContact CB-CE2 3.64Å; A83-Y104 HydrophobicContact CB-CG 3.81Å; Y84-Y104 HydrophobicContact CE2-CE1 4.2Å; G92-Y104 WeakPolarHBondContact O-CD1 3.21Å; L94-Y104 HydrophobicContact CD1-CD2 3.67Å; L94-Y104 HydrophobicContact CD1-CE2 4.42Å; L94-Y104 HydrophobicContact CD1-CG 4.34Å; L94-Y104 HydrophobicContact CG-CD2 4.08Å; L94-Y104 HydrophobicContact CG-CG 4.27Å; D102-Y104 VanDerWaalsContact OD1-CB 3.29Å; D102-Y104 WeakPolarHBondContact OD1-CB 3.38Å; D102-Y104 PolarHBondContact OD1-N 3.18Å; Y104-G106 PolarHBondContact O-N 3.24Å; Y104-V107 WeakPolarHBondContact O-CG2 3.46Å; Y104-V107 PolarHBondContact O-N 3.45Å; Y104-I109 HydrophobicContact CE2-CD1 4.37Å
105	E	97.9	Very high	97.8	Very high	148 Å²	148	50.7 Å²	50.7	69%	0.692	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	120.8	-177.2	-173.6	178	-173.8	0	0	112.1	H62	H62-E105 PolarHBondContact CE1-O 2.87Å; H62-E105 PolarHBondContact NE2-O 3.32Å
106	G	97.6	Very high	97.8	Very high	57 Å²	57	50.5 Å²	50.5	59%	0.588	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	1.2	175.8	0	0	0	0	0	115.4	Y61 Y104 V108	Y61-G106 WeakPolarHBondContact CE1-O 3.36Å; Y104-G106 PolarHBondContact O-N 3.24Å; G106-V108 PolarHBondContact O-N 3.1Å
107	V	98.5	Very high	97.8	Very high	17 Å²	17	52 Å²	52	10%	0.103	27%	0.265	C	S	.	.			trans	-69.4	127.3	171.8	-178.2	0	0	0	0	110.4	C58 Y61 T76 M78 W103 Y104 I109	C58-V107 HydrophobicContact CB-CG2 4.12Å; Y61-V107 HydrophobicContact CD1-CB 4.24Å; Y61-V107 HydrophobicContact CD1-CG1 4.2Å; Y61-V107 HydrophobicContact CD1-CG2 3.9Å; Y61-V107 HydrophobicContact CD2-CG1 4.43Å; Y61-V107 HydrophobicContact CE1-CB 4.45Å; Y61-V107 HydrophobicContact CE1-CG2 4.45Å; Y61-V107 HydrophobicContact CG-CG1 4.12Å; Y61-V107 HydrophobicContact CG-CG2 4.42Å; T76-V107 HydrophobicContact CG2-CG1 4.3Å; M78-V107 HydrophobicContact CE-CG1 4.35Å; W103-V107 WeakPolarHBondContact O-CG2 3.32Å; Y104-V107 WeakPolarHBondContact O-CG2 3.46Å; Y104-V107 PolarHBondContact O-N 3.45Å; V107-I109 HydrophobicContact CG1-CG1 3.96Å
108	V	98.4	Very high	97.9	Very high	62 Å²	62	51.7 Å²	51.7	38%	0.376	26%	0.263	S	S	.	.			trans	-91.4	106	172	176.8	0	0	0	0	108.1	Y61 P71 T76 G106	Y61-V108 HydrophobicContact CE2-CB 4.37Å; Y61-V108 WeakPolarHBondContact OH-CG2 3.15Å; P71-V108 HydrophobicContact CB-CG2 4.49Å; T76-V108 WeakPolarHBondContact CB-O 3.37Å; T76-V108 PolarHBondContact OG1-O 3.48Å; G106-V108 PolarHBondContact O-N 3.1Å
109	I	98.5	Very high	98	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.056	29%	0.287	C	S	.	.			trans	-96.5	122	179.1	-45.5	161	0	0	0	109.1	M78 D80 Y104 V107 Y111 R112	M78-I109 HydrophobicContact CE-CD1 3.16Å; M78-I109 HydrophobicContact CE-CG1 3.52Å; M78-I109 HydrophobicContact CG-CD1 4.22Å; M78-I109 HydrophobicContact CG-CG1 4.19Å; M78-I109 HydrophobicContact CG-CG2 3.8Å; M78-I109 HydrophobicContact SD-CD1 4.43Å; M78-I109 HydrophobicContact SD-CG1 4.4Å; D80-I109 HydrophobicContact CB-CD1 4.05Å; D80-I109 VanDerWaalsContact CG-CD1 3.44Å; D80-I109 WeakPolarHBondContact OD2-CD1 3.25Å; Y104-I109 HydrophobicContact CE2-CD1 4.37Å; V107-I109 HydrophobicContact CG1-CG1 3.96Å; I109-Y111 WeakPolarHBondContact CG2-O 3.41Å; I109-R112 HydrophobicContact CB-CG 4.35Å; I109-R112 HydrophobicContact CG2-CG 3.67Å; I109-R112 PolarHBondContact O-NH1 2.92Å
110	D	98.7	Very high	98.1	Very high	40 Å²	40	55 Å²	55	21%	0.214	28%	0.277	C	S	.	.	S	Bend	trans	-91.8	-30.4	-176.5	-65.4	-70.2	0	0	0	112.7	I75 T76 K134	I75-D110 WeakPolarHBondContact CA-OD2 3.33Å; I75-D110 HydrophobicContact CG2-CB 4.39Å; T76-D110 PolarHBondContact N-OD2 2.87Å; T76-D110 PolarHBondContact O-N 3.35Å; D110-K134 HydrophobicContact CB-CB 4.14Å; D110-K134 VanDerWaalsContact CG-NZ 3.25Å; D110-K134 WeakPolarHBondContact OD1-CB 3.34Å; D110-K134 WeakPolarHBondContact OD1-CE 3.38Å; D110-K134 IonicContact OD1-NZ 2.69Å; D110-K134 PolarHBondContact OD1-NZ 3.49Å; D110-K134 IonicContact OD2-NZ 2.87Å; D110-K134 PolarHBondContact OD2-NZ 2.89Å
111	Y	98.8	Very high	98.3	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.02	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-132.6	128.1	177.6	-60.5	-92.8	0	0	0	110.3	I75 T76 M77 M78 I109 N115 V116 T120 V124 A131 G133 K134	I75-Y111 HydrophobicContact CG2-CD2 4.36Å; I75-Y111 HydrophobicContact CG2-CE2 4Å; T76-Y111 PolarHBondContact O-N 3.07Å; M77-Y111 HydrophobicContact CE-CG 4.35Å; M77-Y111 HydrophobicContact CG-CD2 3.69Å; M77-Y111 HydrophobicContact CG-CG 4.16Å; M77-Y111 HydrophobicContact SD-CD2 4.4Å; M78-Y111 PolarHBondContact N-O 3.22Å; M78-Y111 VanDerWaalsContact N-O 3.13Å; I109-Y111 WeakPolarHBondContact CG2-O 3.41Å; Y111-N115 HydrophobicContact CD1-CB 4.09Å; Y111-V116 WeakPolarHBondContact O-CG2 3.5Å; Y111-T120 HydrophobicContact CD1-CG2 3.56Å; Y111-T120 HydrophobicContact CE1-CG2 3.46Å; Y111-T120 VanDerWaalsContact CE1-CG2 3.46Å; Y111-T120 HydrophobicContact CG-CG2 4.33Å; Y111-V124 HydrophobicContact CD2-CG2 4.4Å; Y111-V124 HydrophobicContact CE1-CG2 4.41Å; Y111-V124 HydrophobicContact CE2-CG2 3.5Å; Y111-V124 WeakPolarHBondContact OH-CG2 3.39Å; Y111-A131 HydrophobicContact CE1-CB 4.32Å; Y111-A131 WeakPolarHBondContact OH-CB 3.44Å; Y111-G133 VanDerWaalsContact OH-CA 3.22Å; Y111-G133 WeakPolarHBondContact OH-CA 3.44Å; Y111-G133 PolarHBondContact OH-N 3.13Å; Y111-G133 PolarHBondContact OH-O 3.16Å; Y111-K134 WeakPolarHBondContact CE2-O 3.3Å; Y111-K134 PolarHBondContact OH-N 3.13Å; Y111-K134 PolarHBondContact OH-O 3.01Å
112	R	98.6	Very high	98.4	Very high	115 Å²	115	48.4 Å²	48.4	43%	0.434	25%	0.248	S	C	.	.			trans	-126	158.4	-178.4	-66.7	-179.9	177.5	76.6	-4.7	111.9	M78 D80 I109 K114 N115	M78-R112 WeakPolarHBondContact O-CA 3.5Å; D80-R112 HydrophobicContact CB-CB 4.43Å; D80-R112 HydrophobicContact CB-CG 3.89Å; D80-R112 VanDerWaalsContact OD2-CD 3.26Å; D80-R112 WeakPolarHBondContact OD2-CD 3.31Å; D80-R112 IonicContact OD2-CZ 2.67Å; D80-R112 IonicContact OD2-NE 3.82Å; D80-R112 PolarHBondContact OD2-NE 3.42Å; I109-R112 HydrophobicContact CB-CG 4.35Å; I109-R112 HydrophobicContact CG2-CG 3.67Å; I109-R112 PolarHBondContact O-NH1 2.92Å; R112-K114 PolarHBondContact O-N 3.45Å; R112-N115 WeakPolarHBondContact O-CB 3.42Å; R112-N115 PolarHBondContact O-N 3.26Å; R112-N115 VanDerWaalsContact O-N 3.16Å
113	G	98.2	Very high	98.5	Very high	16 Å²	16	50.3 Å²	50.3	17%	0.165	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	51.5	-132.9	175.5	0	0	0	0	0	112.5	Y79 N115 V116	Y79-G113 WeakPolarHBondContact CD2-O 3.48Å; Y79-G113 VanDerWaalsContact CE2-C 3.42Å; Y79-G113 PolarHBondContact O-N 3.22Å; G113-N115 PolarHBondContact O-N 2.99Å; G113-V116 WeakPolarHBondContact O-CB 3.47Å; G113-V116 PolarHBondContact O-N 3.49Å
114	K	97.9	Very high	98.5	Very high	162 Å²	162	49.7 Å²	49.7	70%	0.704	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-60.5	-13.9	-178.2	-63.2	-172.1	175.9	-173.4	0	115.3	R112 V116 N117	R112-K114 PolarHBondContact O-N 3.45Å; K114-V116 PolarHBondContact O-N 2.92Å; K114-N117 PolarHBondContact O-ND2 3.07Å
115	N	98.4	Very high	98.5	Very high	98 Å²	98	47.9 Å²	47.9	52%	0.524	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-80	-6.3	174.9	-62	-35.8	0	0	0	112.6	Y111 R112 G113 N117 T120	Y111-N115 HydrophobicContact CD1-CB 4.09Å; R112-N115 WeakPolarHBondContact O-CB 3.42Å; R112-N115 PolarHBondContact O-N 3.26Å; R112-N115 VanDerWaalsContact O-N 3.16Å; G113-N115 PolarHBondContact O-N 2.99Å; N115-N117 PolarHBondContact O-N 3.35Å; N115-T120 WeakPolarHBondContact O-CB 3.29Å; N115-T120 WeakPolarHBondContact O-CG2 3.39Å
116	V	98.7	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.			trans	-88.7	95.2	168.4	-175.1	0	0	0	0	107.2	M77 Y111 G113 K114 F159 P160	M77-V116 HydrophobicContact CB-CG1 4.49Å; M77-V116 HydrophobicContact CB-CG2 4.47Å; Y111-V116 WeakPolarHBondContact O-CG2 3.5Å; G113-V116 WeakPolarHBondContact O-CB 3.47Å; G113-V116 PolarHBondContact O-N 3.49Å; K114-V116 PolarHBondContact O-N 2.92Å; V116-F159 HydrophobicContact CG1-CD1 4.11Å; V116-F159 HydrophobicContact CG1-CE1 4.28Å; V116-P160 HydrophobicContact CB-CG 4.31Å; V116-P160 HydrophobicContact CG1-CG 4.14Å; V116-P160 WeakPolarHBondContact O-CD 3.44Å; V116-P160 WeakPolarHBondContact O-CG 3.47Å
117	N	98.6	Very high	98.6	Very high	32 Å²	32	42.4 Å²	42.4	17%	0.171	21%	0.208	C	C	.	.	S	Bend	trans	-152.6	162.5	178.8	58.2	67.3	0	0	0	110.1	K114 N115 K119 T120 F121 F159	K114-N117 PolarHBondContact O-ND2 3.07Å; N115-N117 PolarHBondContact O-N 3.35Å; N117-K119 VanDerWaalsContact C-N 3.33Å; N117-K119 PolarHBondContact O-N 3.47Å; N117-K119 PolarHBondContact OD1-N 3.26Å; N117-T120 VanDerWaalsContact CG-OG1 3.32Å; N117-T120 PolarHBondContact ND2-OG1 2.9Å; N117-T120 PolarHBondContact O-N 3.35Å; N117-T120 VanDerWaalsContact OD1-CB 3.31Å; N117-T120 WeakPolarHBondContact OD1-CB 3.18Å; N117-T120 PolarHBondContact OD1-N 3.37Å; N117-T120 PolarHBondContact OD1-OG1 3.36Å; N117-F121 PolarHBondContact O-N 3.07Å; N117-F159 VanDerWaalsContact CA-CD1 3.43Å
118	S	98.6	Very high	98.6	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-42.4	-174.2	71.3	0	0	0	0	112.1	T120 F121 L122 D162 E163	S118-T120 PolarHBondContact O-N 3.01Å; S118-F121 WeakPolarHBondContact O-CB 3.27Å; S118-F121 PolarHBondContact O-N 3.47Å; S118-L122 WeakPolarHBondContact O-CG 3.29Å; S118-L122 PolarHBondContact O-N 3.42Å; S118-D162 PolarHBondContact N-OD1 3.5Å; S118-D162 PolarHBondContact N-OD2 3.19Å; S118-D162 PolarHBondContact OG-OD2 3.24Å; S118-E163 VanDerWaalsContact CB-O 3.31Å; S118-E163 WeakPolarHBondContact CB-O 3.38Å; S118-E163 PolarHBondContact OG-O 2.89Å; S118-E163 VanDerWaalsContact OG-O 3.07Å
119	K	98.6	Very high	98.5	Very high	142 Å²	142	50.2 Å²	50.2	62%	0.617	24%	0.239	S	C	*	.	H	α-helix	trans	-60.2	-43.4	179	-64.8	177.4	-175.5	170.8	0	112.5	N117 L122 K123	N117-K119 VanDerWaalsContact C-N 3.33Å; N117-K119 PolarHBondContact O-N 3.47Å; N117-K119 PolarHBondContact OD1-N 3.26Å; K119-L122 PolarHBondContact O-N 3.39Å; K119-K123 WeakPolarHBondContact O-CG 3.47Å; K119-K123 PolarHBondContact O-N 2.86Å
120	T	98.7	Very high	98.4	Very high	15 Å²	15	52.9 Å²	52.9	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-42.9	178.6	-57.1	0	0	0	0	110.2	M77 Y111 N115 N117 S118 L122 K123 V124 A131	M77-T120 HydrophobicContact CE-CG2 4.02Å; Y111-T120 HydrophobicContact CD1-CG2 3.56Å; Y111-T120 HydrophobicContact CE1-CG2 3.46Å; Y111-T120 VanDerWaalsContact CE1-CG2 3.46Å; Y111-T120 HydrophobicContact CG-CG2 4.33Å; N115-T120 WeakPolarHBondContact O-CB 3.29Å; N115-T120 WeakPolarHBondContact O-CG2 3.39Å; N117-T120 VanDerWaalsContact CG-OG1 3.32Å; N117-T120 PolarHBondContact ND2-OG1 2.9Å; N117-T120 PolarHBondContact O-N 3.35Å; N117-T120 VanDerWaalsContact OD1-CB 3.31Å; N117-T120 WeakPolarHBondContact OD1-CB 3.18Å; N117-T120 PolarHBondContact OD1-N 3.37Å; N117-T120 PolarHBondContact OD1-OG1 3.36Å; S118-T120 PolarHBondContact O-N 3.01Å; T120-L122 PolarHBondContact O-N 2.96Å; T120-K123 PolarHBondContact O-N 2.87Å; T120-V124 HydrophobicContact CG2-CG2 4.45Å; T120-V124 WeakPolarHBondContact O-CB 3.25Å; T120-V124 VanDerWaalsContact O-CG2 3.31Å; T120-V124 WeakPolarHBondContact O-CG2 3.44Å; T120-V124 PolarHBondContact O-N 3.36Å; T120-A131 HydrophobicContact CG2-CB 4.33Å
121	F	98.8	Very high	98.4	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-58.2	-47.3	175.1	171.3	-118.8	0	0	0	111.9	V40 V42 M77 N117 S118 K123 V124 L125 I146 F159 L164 F169	V40-F121 HydrophobicContact CG1-CD2 4.27Å; V40-F121 HydrophobicContact CG1-CE2 3.92Å; V42-F121 HydrophobicContact CG2-CD2 3.71Å; V42-F121 HydrophobicContact CG2-CE2 3.71Å; M77-F121 HydrophobicContact CE-CB 4Å; M77-F121 HydrophobicContact SD-CB 4.02Å; M77-F121 HydrophobicContact SD-CD2 4.01Å; N117-F121 PolarHBondContact O-N 3.07Å; S118-F121 WeakPolarHBondContact O-CB 3.27Å; S118-F121 PolarHBondContact O-N 3.47Å; F121-K123 VanDerWaalsContact C-N 3.33Å; F121-K123 PolarHBondContact O-N 2.99Å; F121-V124 WeakPolarHBondContact O-CB 3.28Å; F121-V124 PolarHBondContact O-N 2.76Å; F121-L125 HydrophobicContact CD1-CD1 4.43Å; F121-L125 HydrophobicContact CD2-CG 4.27Å; F121-L125 HydrophobicContact CE1-CD1 3.84Å; F121-L125 HydrophobicContact CE2-CD1 4Å; F121-L125 HydrophobicContact CE2-CD2 3.9Å; F121-L125 HydrophobicContact CE2-CG 3.92Å; F121-L125 HydrophobicContact CZ-CD1 3.61Å; F121-L125 HydrophobicContact CZ-CD2 4.24Å; F121-L125 HydrophobicContact CZ-CG 4.07Å; F121-L125 WeakPolarHBondContact O-CG 3.39Å; F121-L125 PolarHBondContact O-N 3.08Å; F121-I146 HydrophobicContact CE2-CG2 4.37Å; F121-I146 HydrophobicContact CZ-CG2 4.13Å; F121-F159 HydrophobicContact CB-CE1 4.07Å; F121-F159 HydrophobicContact CB-CE2 4.48Å; F121-F159 HydrophobicContact CB-CZ 3.57Å; F121-F159 HydrophobicContact CD1-CE2 4.27Å; F121-F159 AromaticContact CD1-CZ 3.89Å; F121-F159 HydrophobicContact CD1-CZ 3.89Å; F121-F159 AromaticContact CG-CZ 3.82Å; F121-F159 HydrophobicContact CG-CZ 3.82Å; F121-L164 HydrophobicContact CD1-CD2 3.84Å; F121-L164 HydrophobicContact CE1-CD2 3.77Å; F121-F169 HydrophobicContact CE1-CD2 4.33Å; F121-F169 AromaticContact CE1-CE2 3.99Å; F121-F169 HydrophobicContact CE1-CE2 3.99Å; F121-F169 HydrophobicContact CZ-CE2 4.25Å
122	L	98.9	Very high	98.2	Very high	6 Å²	6	55 Å²	55	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-36.6	177.7	-63.2	-177.4	0	0	0	112.7	S118 K119 T120 L125 K126 L164 E168 F169 T172	S118-L122 WeakPolarHBondContact O-CG 3.29Å; S118-L122 PolarHBondContact O-N 3.42Å; K119-L122 PolarHBondContact O-N 3.39Å; T120-L122 PolarHBondContact O-N 2.96Å; L122-L125 PolarHBondContact O-N 2.82Å; L122-K126 WeakPolarHBondContact O-CB 3.33Å; L122-K126 WeakPolarHBondContact O-CG 3.15Å; L122-K126 PolarHBondContact O-N 3.02Å; L122-L164 HydrophobicContact CD1-CD1 3.8Å; L122-L164 HydrophobicContact CD2-CD1 3.91Å; L122-L164 HydrophobicContact CD2-CD2 4.17Å; L122-L164 HydrophobicContact CG-CD1 4.09Å; L122-E168 HydrophobicContact CD1-CG 3.61Å; L122-E168 WeakPolarHBondContact CD1-OE1 3.31Å; L122-F169 HydrophobicContact CD2-CD2 4.39Å; L122-T172 HydrophobicContact CD2-CG2 3.97Å
123	K	98.8	Very high	98	Very high	74 Å²	74	51.2 Å²	51.2	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-42.6	172.6	-73.3	178.2	176.8	-165.8	0	112.1	K119 T120 F121 L125 K126 G127 D128 S130 A131	K119-K123 WeakPolarHBondContact O-CG 3.47Å; K119-K123 PolarHBondContact O-N 2.86Å; T120-K123 PolarHBondContact O-N 2.87Å; F121-K123 VanDerWaalsContact C-N 3.33Å; F121-K123 PolarHBondContact O-N 2.99Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 3.39Å; K123-K126 PolarHBondContact O-N 2.88Å; K123-G127 PolarHBondContact O-N 3.47Å; K123-D128 HydrophobicContact CB-CB 4.06Å; K123-D128 HydrophobicContact CG-CB 4.28Å; K123-D128 PolarHBondContact O-N 3.22Å; K123-S130 WeakPolarHBondContact CD-OG 3.36Å; K123-S130 WeakPolarHBondContact CE-OG 3.42Å; K123-S130 PolarHBondContact NZ-O 3.2Å; K123-S130 PolarHBondContact NZ-OG 2.87Å; K123-A131 HydrophobicContact CB-CB 3.84Å; K123-A131 HydrophobicContact CD-CB 4.43Å
124	V	98.8	Very high	98	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.5	-50.5	174.8	163.4	0	0	0	0	110.4	V40 I75 M77 Y111 T120 F121 K126 G127 A131 V135 L136	V40-V124 HydrophobicContact CG1-CG1 4.28Å; I75-V124 HydrophobicContact CB-CG1 4.44Å; I75-V124 HydrophobicContact CD1-CG1 4.05Å; I75-V124 HydrophobicContact CG2-CG1 3.76Å; M77-V124 HydrophobicContact SD-CG2 4.36Å; Y111-V124 HydrophobicContact CD2-CG2 4.4Å; Y111-V124 HydrophobicContact CE1-CG2 4.41Å; Y111-V124 HydrophobicContact CE2-CG2 3.5Å; Y111-V124 WeakPolarHBondContact OH-CG2 3.39Å; T120-V124 HydrophobicContact CG2-CG2 4.45Å; T120-V124 WeakPolarHBondContact O-CB 3.25Å; T120-V124 VanDerWaalsContact O-CG2 3.31Å; T120-V124 WeakPolarHBondContact O-CG2 3.44Å; T120-V124 PolarHBondContact O-N 3.36Å; F121-V124 WeakPolarHBondContact O-CB 3.28Å; F121-V124 PolarHBondContact O-N 2.76Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 3.46Å; V124-G127 PolarHBondContact O-N 2.61Å; V124-G127 VanDerWaalsContact O-N 3.14Å; V124-A131 HydrophobicContact CG2-CB 4.23Å; V124-V135 HydrophobicContact CG2-CG1 4.36Å; V124-L136 VanDerWaalsContact O-CB 3.24Å; V124-L136 WeakPolarHBondContact O-CB 3.42Å; V124-L136 PolarHBondContact O-N 3.47Å
125	L	98.8	Very high	98.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-45	177.6	-67.4	-172.8	0	0	0	111.8	V40 F121 L122 K123 G127 I146 F169 T172 L176	V40-L125 HydrophobicContact CG1-CD2 4.46Å; V40-L125 HydrophobicContact CG2-CD2 4.1Å; F121-L125 HydrophobicContact CD1-CD1 4.43Å; F121-L125 HydrophobicContact CD2-CG 4.27Å; F121-L125 HydrophobicContact CE1-CD1 3.84Å; F121-L125 HydrophobicContact CE2-CD1 4Å; F121-L125 HydrophobicContact CE2-CD2 3.9Å; F121-L125 HydrophobicContact CE2-CG 3.92Å; F121-L125 HydrophobicContact CZ-CD1 3.61Å; F121-L125 HydrophobicContact CZ-CD2 4.24Å; F121-L125 HydrophobicContact CZ-CG 4.07Å; F121-L125 WeakPolarHBondContact O-CG 3.39Å; F121-L125 PolarHBondContact O-N 3.08Å; L122-L125 PolarHBondContact O-N 2.82Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 3.39Å; L125-G127 PolarHBondContact O-N 3.27Å; L125-I146 HydrophobicContact CD1-CD1 4.3Å; L125-I146 HydrophobicContact CD2-CD1 3.59Å; L125-I146 HydrophobicContact CD2-CG1 4.24Å; L125-F169 HydrophobicContact CD1-CE2 4.01Å; L125-T172 HydrophobicContact CB-CG2 4.24Å; L125-T172 HydrophobicContact CD1-CG2 4.21Å; L125-L176 HydrophobicContact CB-CD1 4.24Å; L125-L176 HydrophobicContact CB-CD2 4.43Å; L125-L176 WeakPolarHBondContact O-CD2 3.49Å
126	K	98.6	Very high	98	Very high	69 Å²	69	40.9 Å²	40.9	30%	0.3	23%	0.234	S	C	.	.	H	α-helix	trans	-70	-9.7	179.9	-68.9	173.9	-177.5	170.2	0	113.6	L122 K123 V124 D128 T172 Y175	L122-K126 WeakPolarHBondContact O-CB 3.33Å; L122-K126 WeakPolarHBondContact O-CG 3.15Å; L122-K126 PolarHBondContact O-N 3.02Å; K123-K126 PolarHBondContact O-N 2.88Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 3.46Å; K126-D128 VanDerWaalsContact C-N 3.28Å; K126-T172 WeakPolarHBondContact CE-OG1 3.18Å; K126-T172 HydrophobicContact CG-CG2 4.1Å; K126-Y175 HydrophobicContact CB-CD1 4.41Å; K126-Y175 HydrophobicContact CB-CE1 3.88Å; K126-Y175 HydrophobicContact CD-CD1 4.29Å; K126-Y175 HydrophobicContact CD-CE1 4.31Å; K126-Y175 HydrophobicContact CG-CD1 3.7Å; K126-Y175 HydrophobicContact CG-CE1 3.66Å
127	G	98.3	Very high	98	Very high	20 Å²	20	48.1 Å²	48.1	21%	0.206	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	21.4	-173.6	0	0	0	0	0	113.5	K123 V124 L125 K129 L136	K123-G127 PolarHBondContact O-N 3.47Å; V124-G127 PolarHBondContact O-N 2.61Å; V124-G127 VanDerWaalsContact O-N 3.14Å; L125-G127 PolarHBondContact O-N 3.27Å; G127-K129 PolarHBondContact O-N 3.18Å; G127-L136 VanDerWaalsContact CA-O 3.31Å; G127-L136 WeakPolarHBondContact CA-O 3.33Å
128	D	98.1	Very high	97.9	Very high	67 Å²	67	46.7 Å²	46.7	36%	0.358	26%	0.257	S	S	.	.			trans	-79.2	109.5	-179	177.5	7.5	0	0	0	110.5	K123 K126 S130 A131 V135	K123-D128 HydrophobicContact CB-CB 4.06Å; K123-D128 HydrophobicContact CG-CB 4.28Å; K123-D128 PolarHBondContact O-N 3.22Å; K126-D128 VanDerWaalsContact C-N 3.28Å; D128-S130 PolarHBondContact O-N 3.08Å; D128-S130 VanDerWaalsContact OD1-CB 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.43Å; D128-S130 PolarHBondContact OD1-N 3.21Å; D128-S130 PolarHBondContact OD1-OG 2.97Å; D128-S130 VanDerWaalsContact OD1-OG 3.13Å; D128-S130 PolarHBondContact OD2-OG 3.42Å; D128-A131 WeakPolarHBondContact O-CB 3.32Å; D128-A131 PolarHBondContact O-N 2.94Å; D128-V135 WeakPolarHBondContact O-CG1 3.44Å
129	K	96.7	Very high	97.8	Very high	176 Å²	176	47.6 Å²	47.6	77%	0.765	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.6	-18.8	179.2	-62.9	-178.7	-178.6	177.6	0	113.4	G127 A131 G132	G127-K129 PolarHBondContact O-N 3.18Å; K129-A131 PolarHBondContact O-N 3.13Å; K129-A131 VanDerWaalsContact O-N 3.13Å; K129-G132 PolarHBondContact O-N 2.98Å
130	S	97.8	Very high	97.7	Very high	68 Å²	68	47.3 Å²	47.3	48%	0.476	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-66.2	-5.7	173.3	89.2	0	0	0	0	113.6	K123 D128 G132	K123-S130 WeakPolarHBondContact CD-OG 3.36Å; K123-S130 WeakPolarHBondContact CE-OG 3.42Å; K123-S130 PolarHBondContact NZ-O 3.2Å; K123-S130 PolarHBondContact NZ-OG 2.87Å; D128-S130 PolarHBondContact O-N 3.08Å; D128-S130 VanDerWaalsContact OD1-CB 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.43Å; D128-S130 PolarHBondContact OD1-N 3.21Å; D128-S130 PolarHBondContact OD1-OG 2.97Å; D128-S130 VanDerWaalsContact OD1-OG 3.13Å; D128-S130 PolarHBondContact OD2-OG 3.42Å; S130-G132 PolarHBondContact O-N 2.67Å
131	A	97.1	Very high	97.6	Very high	13 Å²	13	51.9 Å²	51.9	11%	0.107	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-61.3	-25.5	167.8	0	0	0	0	0	112.9	Y111 T120 K123 V124 D128 K129 V135	Y111-A131 HydrophobicContact CE1-CB 4.32Å; Y111-A131 WeakPolarHBondContact OH-CB 3.44Å; T120-A131 HydrophobicContact CG2-CB 4.33Å; K123-A131 HydrophobicContact CB-CB 3.84Å; K123-A131 HydrophobicContact CD-CB 4.43Å; V124-A131 HydrophobicContact CG2-CB 4.23Å; D128-A131 WeakPolarHBondContact O-CB 3.32Å; D128-A131 PolarHBondContact O-N 2.94Å; K129-A131 PolarHBondContact O-N 3.13Å; K129-A131 VanDerWaalsContact O-N 3.13Å; A131-V135 HydrophobicContact CB-CG1 3.76Å
132	G	94.7	Very high	97.6	Very high	76 Å²	76	52.9 Å²	52.9	78%	0.784	30%	0.295	S	S	*	.	S	Bend	trans	84.7	6.2	177.7	0	0	0	0	0	115.4	K129 S130	K129-G132 PolarHBondContact O-N 2.98Å; S130-G132 PolarHBondContact O-N 2.67Å
133	G	95.6	Very high	97.6	Very high	35 Å²	35	53.5 Å²	53.5	36%	0.361	30%	0.299	S	S	.	.	S	Bend	trans	-147	-157.5	177.7	0	0	0	0	0	113.2	Y111	Y111-G133 VanDerWaalsContact OH-CA 3.22Å; Y111-G133 WeakPolarHBondContact OH-CA 3.44Å; Y111-G133 PolarHBondContact OH-N 3.13Å; Y111-G133 PolarHBondContact OH-O 3.16Å
134	K	98.3	Very high	97.6	Very high	50 Å²	50	50 Å²	50	22%	0.217	28%	0.284	C	S	.	.			trans	-63.5	135.5	174.1	-166.7	-169.2	-69	152.7	0	109.2	P71 I74 I75 D110 Y111	P71-K134 PolarHBondContact O-NZ 3.41Å; I74-K134 PolarHBondContact O-NZ 3.31Å; I75-K134 HydrophobicContact CB-CD 4.43Å; I75-K134 HydrophobicContact CG1-CB 4.28Å; I75-K134 HydrophobicContact CG1-CD 3.51Å; I75-K134 HydrophobicContact CG1-CG 3.78Å; D110-K134 HydrophobicContact CB-CB 4.14Å; D110-K134 VanDerWaalsContact CG-NZ 3.25Å; D110-K134 WeakPolarHBondContact OD1-CB 3.34Å; D110-K134 WeakPolarHBondContact OD1-CE 3.38Å; D110-K134 IonicContact OD1-NZ 2.69Å; D110-K134 PolarHBondContact OD1-NZ 3.49Å; D110-K134 IonicContact OD2-NZ 2.87Å; D110-K134 PolarHBondContact OD2-NZ 2.89Å; Y111-K134 WeakPolarHBondContact CE2-O 3.3Å; Y111-K134 PolarHBondContact OH-N 3.13Å; Y111-K134 PolarHBondContact OH-O 3.01Å
135	V	98.5	Very high	97.6	Very high	8 Å²	8	50 Å²	50	5%	0.048	28%	0.284	C	S	.	.			trans	-131.2	158.8	179.3	-60.3	0	0	0	0	109.9	I75 V124 D128 A131 K137	I75-V135 VanDerWaalsContact CD1-C 3.44Å; V124-V135 HydrophobicContact CG2-CG1 4.36Å; D128-V135 WeakPolarHBondContact O-CG1 3.44Å; A131-V135 HydrophobicContact CB-CG1 3.76Å; V135-K137 PolarHBondContact O-N 3.33Å
136	L	97.6	Very high	97.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	28%	0.284	C	S	.	.			trans	-66	117.7	-178.3	-173.2	65	0	0	0	109.4	W38 V40 I75 V124 G127 S138 V144 R181	W38-L136 HydrophobicContact CB-CD1 3.52Å; W38-L136 HydrophobicContact CD2-CD1 3.9Å; W38-L136 HydrophobicContact CE3-CD1 3.84Å; W38-L136 HydrophobicContact CG-CD1 3.79Å; V40-L136 HydrophobicContact CG2-CD1 4.48Å; I75-L136 HydrophobicContact CD1-CB 4.07Å; I75-L136 HydrophobicContact CD1-CD1 4.39Å; I75-L136 VanDerWaalsContact CD1-N 3.34Å; V124-L136 VanDerWaalsContact O-CB 3.24Å; V124-L136 WeakPolarHBondContact O-CB 3.42Å; V124-L136 PolarHBondContact O-N 3.47Å; G127-L136 VanDerWaalsContact CA-O 3.31Å; G127-L136 WeakPolarHBondContact CA-O 3.33Å; L136-S138 VanDerWaalsContact CD2-OG 3.3Å; L136-S138 WeakPolarHBondContact CD2-OG 3.03Å; L136-S138 WeakPolarHBondContact CG-OG 3.36Å; L136-V144 HydrophobicContact CD1-CG1 4.32Å; L136-V144 HydrophobicContact CD1-CG2 4.43Å; L136-V144 HydrophobicContact CD2-CG1 4.1Å; L136-V144 HydrophobicContact CD2-CG2 4.33Å; L136-R181 PolarHBondContact O-NH2 3.36Å
137	K	97.5	Very high	97.6	Very high	152 Å²	152	46.8 Å²	46.8	66%	0.661	27%	0.27	S	S	*	.			trans	-103.3	10.4	177.6	-61.4	177.9	-175.1	170.4	0	113	W38 V135	W38-K137 HydrophobicContact CH2-CB 3.69Å; W38-K137 HydrophobicContact CH2-CD 4.47Å; W38-K137 HydrophobicContact CH2-CG 4.33Å; W38-K137 HydrophobicContact CZ2-CB 3.9Å; W38-K137 HydrophobicContact CZ3-CB 4.38Å; V135-K137 PolarHBondContact O-N 3.33Å
138	S	97.5	Very high	97.6	Very high	1 Å²	1	46 Å²	46	1%	0.007	26%	0.26	C	S	.	.			trans	-59.6	147.6	176.6	63.2	0	0	0	0	111.9	L136 R181	L136-S138 VanDerWaalsContact CD2-OG 3.3Å; L136-S138 WeakPolarHBondContact CD2-OG 3.03Å; L136-S138 WeakPolarHBondContact CG-OG 3.36Å; S138-R181 CarbonylContact C-O 3.36Å; S138-R181 VanDerWaalsContact CB-O 3.28Å; S138-R181 WeakPolarHBondContact CB-O 3.29Å; S138-R181 PolarHBondContact OG-O 2.96Å
139	G	96.5	Very high	97.6	Very high	23 Å²	23	42.8 Å²	42.8	24%	0.237	24%	0.243	C	C	.	.			trans	-129.2	-161	173.6	0	0	0	0	0	111.7	N141 D142 K180 R181 Y182	G139-N141 PolarHBondContact O-N 2.68Å; G139-D142 PolarHBondContact N-OD2 2.84Å; G139-D142 PolarHBondContact O-N 3.47Å; G139-D142 VanDerWaalsContact O-N 3.08Å; G139-K180 CarbonylContact C-O 3.53Å; G139-K180 WeakPolarHBondContact CA-O 3.15Å; G139-R181 CarbonylContact O-C 3.58Å; G139-Y182 CarbonylContact O-C 3.55Å; G139-Y182 VanDerWaalsContact O-CA 3.22Å; G139-Y182 WeakPolarHBondContact O-CA 3.49Å; G139-Y182 PolarHBondContact O-N 3.35Å
140	K	97	Very high	97.7	Very high	137 Å²	137	34.6 Å²	34.6	60%	0.596	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.5	-170.4	69.2	177.3	-177.4	176.3	0	115.9	K180 S183	K140-K180 WeakPolarHBondContact CA-O 3.27Å; K140-K180 HydrophobicContact CB-CB 3.85Å; K140-K180 PolarHBondContact N-O 3.22Å; K140-S183 WeakPolarHBondContact O-CB 3.43Å
141	N	96.4	Very high	97.7	Very high	111 Å²	111	31.8 Å²	31.8	59%	0.594	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.1	2.1	-177.3	-64.8	-20.7	0	0	0	112.1	G139	G139-N141 PolarHBondContact O-N 2.68Å
142	D	97.9	Very high	97.7	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.123	18%	0.182	C	C	.	.			trans	-103.2	134.3	-175.2	-65.6	-83.7	0	0	0	110.6	N36 W38 G139 Y182 S183	N36-D142 VanDerWaalsContact CA-OD1 3.32Å; N36-D142 WeakPolarHBondContact CA-OD1 3.36Å; N36-D142 CarbonylContact O-C 3.45Å; N36-D142 WeakPolarHBondContact O-CA 3.39Å; W38-D142 PolarHBondContact NE1-OD1 2.97Å; W38-D142 VanDerWaalsContact NE1-OD1 3.13Å; G139-D142 PolarHBondContact N-OD2 2.84Å; G139-D142 PolarHBondContact O-N 3.47Å; G139-D142 VanDerWaalsContact O-N 3.08Å; D142-Y182 CarbonylContact O-C 3.51Å; D142-Y182 VanDerWaalsContact O-CA 3.27Å; D142-Y182 WeakPolarHBondContact O-CA 3.11Å; D142-S183 PolarHBondContact O-N 3.01Å
143	D	98.3	Very high	97.9	Very high	19 Å²	19	27.6 Å²	27.6	10%	0.102	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.9	172.5	-70.3	-23.8	0	0	0	109.1	N36 K37 W38 S183 K184 F288	N36-D143 PolarHBondContact O-N 3.34Å; K37-D143 WeakPolarHBondContact CA-O 3.45Å; W38-D143 PolarHBondContact N-O 3.28Å; D143-S183 WeakPolarHBondContact OD1-CB 3.35Å; D143-S183 PolarHBondContact OD1-OG 2.93Å; D143-K184 WeakPolarHBondContact CA-O 3.19Å; D143-K184 WeakPolarHBondContact OD1-CB 3.02Å; D143-K184 PolarHBondContact OD1-N 3.11Å; D143-K184 IonicContact OD1-NZ 4Å; D143-K184 IonicContact OD2-NZ 2.85Å; D143-K184 PolarHBondContact OD2-NZ 2.74Å; D143-K184 VanDerWaalsContact OD2-NZ 3.07Å; D143-F288 HydrophobicContact CB-CD1 4.07Å; D143-F288 HydrophobicContact CB-CE1 3.99Å
144	V	98.7	Very high	98	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.3	-170.4	-178.8	0	0	0	0	110.1	W38 L136 I146 K184 L185 V186	W38-V144 HydrophobicContact CB-CG2 4.28Å; W38-V144 CarbonylContact O-C 3.56Å; W38-V144 WeakPolarHBondContact O-CA 3.4Å; L136-V144 HydrophobicContact CD1-CG1 4.32Å; L136-V144 HydrophobicContact CD1-CG2 4.43Å; L136-V144 HydrophobicContact CD2-CG1 4.1Å; L136-V144 HydrophobicContact CD2-CG2 4.33Å; V144-I146 HydrophobicContact CG1-CG1 4.21Å; V144-K184 PolarHBondContact N-O 3.49Å; V144-L185 HydrophobicContact CB-CD1 3.56Å; V144-L185 HydrophobicContact CG1-CD1 3.53Å; V144-L185 CarbonylContact O-C 3.55Å; V144-L185 WeakPolarHBondContact O-CA 3.31Å; V144-V186 PolarHBondContact O-N 3Å
145	F	98.9	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.4	170.9	179.1	-121.4	0	0	0	110.1	W38 A39 V40 L41 L64 V186 Y188 W242 F288 Q289	W38-F145 PolarHBondContact O-N 2.88Å; A39-F145 CarbonylContact C-O 3.52Å; A39-F145 WeakPolarHBondContact CA-O 3.33Å; A39-F145 HydrophobicContact CB-CD1 4.39Å; V40-F145 PolarHBondContact N-O 2.91Å; L41-F145 HydrophobicContact CD2-CE1 4.31Å; L64-F145 HydrophobicContact CD1-CD1 4.11Å; L64-F145 HydrophobicContact CD1-CE1 4.4Å; L64-F145 HydrophobicContact CD2-CD1 4.35Å; L64-F145 HydrophobicContact CD2-CE1 4.49Å; F145-V186 CarbonylContact C-O 3.53Å; F145-V186 WeakPolarHBondContact CA-O 3.42Å; F145-V186 HydrophobicContact CD2-CB 4.13Å; F145-V186 HydrophobicContact CD2-CG1 3.81Å; F145-V186 HydrophobicContact CE2-CG1 4.04Å; F145-Y188 HydrophobicContact CE2-CD1 4.23Å; F145-Y188 AromaticContact CE2-CD2 3.61Å; F145-Y188 HydrophobicContact CE2-CD2 3.61Å; F145-Y188 HydrophobicContact CE2-CE1 4.46Å; F145-Y188 AromaticContact CE2-CE2 3.91Å; F145-Y188 HydrophobicContact CE2-CE2 3.91Å; F145-Y188 AromaticContact CE2-CG 3.78Å; F145-Y188 HydrophobicContact CE2-CG 3.78Å; F145-Y188 AromaticContact CZ-CD2 3.73Å; F145-Y188 HydrophobicContact CZ-CD2 3.73Å; F145-Y188 HydrophobicContact CZ-CE2 4.21Å; F145-Y188 HydrophobicContact CZ-CG 4.18Å; F145-W242 AromaticContact CE1-CH2 3.85Å; F145-W242 HydrophobicContact CE1-CH2 3.85Å; F145-W242 HydrophobicContact CE1-CZ3 4.19Å; F145-W242 AromaticContact CZ-CH2 3.73Å; F145-W242 HydrophobicContact CZ-CH2 3.73Å; F145-W242 HydrophobicContact CZ-CZ2 4.25Å; F145-W242 AromaticContact CZ-CZ3 3.88Å; F145-W242 HydrophobicContact CZ-CZ3 3.88Å; F145-F288 HydrophobicContact CB-CB 4.28Å; F145-Q289 HydrophobicContact CD1-CG 4.29Å; F145-Q289 HydrophobicContact CD2-CG 4.41Å; F145-Q289 HydrophobicContact CE1-CG 4.41Å; F145-Q289 HydrophobicContact CG-CG 4.29Å
146	I	98.9	Very high	98	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.5	173.3	-60	174.4	0	0	0	107.6	V40 F121 L125 V144 L185 V186 I187 Y188	V40-I146 HydrophobicContact CB-CG1 4.36Å; V40-I146 WeakPolarHBondContact O-CA 3.25Å; F121-I146 HydrophobicContact CE2-CG2 4.37Å; F121-I146 HydrophobicContact CZ-CG2 4.13Å; L125-I146 HydrophobicContact CD1-CD1 4.3Å; L125-I146 HydrophobicContact CD2-CD1 3.59Å; L125-I146 HydrophobicContact CD2-CG1 4.24Å; V144-I146 HydrophobicContact CG1-CG1 4.21Å; I146-L185 HydrophobicContact CD1-CD1 3.73Å; I146-L185 HydrophobicContact CD1-CD2 4.42Å; I146-L185 HydrophobicContact CG1-CD1 3.93Å; I146-V186 PolarHBondContact N-O 2.83Å; I146-I187 HydrophobicContact CB-CG1 4.35Å; I146-I187 HydrophobicContact CB-CG2 4.16Å; I146-I187 HydrophobicContact CD1-CG1 4.41Å; I146-I187 HydrophobicContact CG2-CG2 4.23Å; I146-I187 CarbonylContact O-C 3.55Å; I146-I187 VanDerWaalsContact O-CA 3.31Å; I146-I187 WeakPolarHBondContact O-CA 3.31Å; I146-Y188 PolarHBondContact O-N 2.9Å
147	Y	99	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.6	168.7	169.9	-124	0	0	0	109.4	V40 L41 V42 D56 V57 A60 T149 Y188 E190 S239 W242	V40-Y147 PolarHBondContact O-N 3.2Å; L41-Y147 WeakPolarHBondContact CA-O 3.33Å; L41-Y147 HydrophobicContact CD2-CD1 4.2Å; V42-Y147 PolarHBondContact N-O 2.98Å; D56-Y147 HydrophobicContact CB-CE1 4.36Å; D56-Y147 VanDerWaalsContact CB-OH 3.26Å; D56-Y147 WeakPolarHBondContact CB-OH 3.41Å; V57-Y147 HydrophobicContact CG2-CD1 4.35Å; V57-Y147 HydrophobicContact CG2-CE1 4.03Å; A60-Y147 HydrophobicContact CB-CD1 4.17Å; A60-Y147 HydrophobicContact CB-CE1 4.29Å; Y147-T149 HydrophobicContact CE1-CG2 3.91Å; Y147-T149 VanDerWaalsContact OH-CB 3.27Å; Y147-T149 WeakPolarHBondContact OH-CB 3.27Å; Y147-T149 WeakPolarHBondContact OH-CG2 3.44Å; Y147-Y188 WeakPolarHBondContact CA-O 3.39Å; Y147-E190 HydrophobicContact CE2-CB 4.31Å; Y147-S239 WeakPolarHBondContact OH-CB 3.44Å; Y147-S239 PolarHBondContact OH-OG 3.29Å; Y147-W242 HydrophobicContact CD1-CH2 4.46Å; Y147-W242 AromaticContact CD1-CZ2 3.77Å; Y147-W242 HydrophobicContact CD1-CZ2 3.77Å; Y147-W242 AromaticContact CD2-CZ2 3.66Å; Y147-W242 HydrophobicContact CD2-CZ2 3.66Å; Y147-W242 AromaticContact CD2-NE1 3.9Å; Y147-W242 AromaticContact CE1-CZ2 3.96Å; Y147-W242 HydrophobicContact CE1-CZ2 3.96Å; Y147-W242 AromaticContact CE2-CZ2 3.88Å; Y147-W242 HydrophobicContact CE2-CZ2 3.88Å; Y147-W242 AromaticContact CE2-NE1 3.55Å; Y147-W242 HydrophobicContact CG-CH2 4.36Å; Y147-W242 AromaticContact CG-CZ2 3.6Å; Y147-W242 HydrophobicContact CG-CZ2 3.6Å
148	F	98.9	Very high	98	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.013	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.8	176.9	178.4	-78.9	0	0	0	109.2	V42 D150 I157 A158 F159 Y188 I189 E190	V42-F148 HydrophobicContact CB-CD2 3.77Å; V42-F148 HydrophobicContact CB-CE2 4.34Å; V42-F148 HydrophobicContact CG1-CD2 3.71Å; V42-F148 HydrophobicContact CG1-CE2 3.77Å; F148-D150 HydrophobicContact CE1-CB 3.58Å; F148-D150 HydrophobicContact CZ-CB 3.6Å; F148-I157 HydrophobicContact CD1-CD1 3.77Å; F148-I157 HydrophobicContact CD2-CD1 3.96Å; F148-I157 HydrophobicContact CE1-CB 3.83Å; F148-I157 HydrophobicContact CE1-CD1 3.76Å; F148-I157 HydrophobicContact CE1-CG1 4.15Å; F148-I157 HydrophobicContact CE1-CG2 4.31Å; F148-I157 HydrophobicContact CE2-CD1 3.95Å; F148-I157 HydrophobicContact CE2-CG1 4.49Å; F148-I157 HydrophobicContact CG-CD1 3.9Å; F148-I157 HydrophobicContact CZ-CB 4.11Å; F148-I157 HydrophobicContact CZ-CD1 3.87Å; F148-I157 HydrophobicContact CZ-CG1 4.1Å; F148-A158 WeakPolarHBondContact CZ-O 3.26Å; F148-F159 HydrophobicContact CD2-CZ 4.36Å; F148-F159 HydrophobicContact CE2-CD2 4.32Å; F148-F159 HydrophobicContact CE2-CE1 4.35Å; F148-F159 AromaticContact CE2-CE2 3.7Å; F148-F159 HydrophobicContact CE2-CE2 3.7Å; F148-F159 AromaticContact CE2-CZ 3.72Å; F148-F159 HydrophobicContact CE2-CZ 3.72Å; F148-F159 HydrophobicContact CZ-CE2 4.45Å; F148-Y188 PolarHBondContact N-O 3Å; F148-I189 HydrophobicContact CB-CG1 4.49Å; F148-I189 HydrophobicContact CD1-CG2 4.14Å; F148-I189 WeakPolarHBondContact O-CA 3.31Å; F148-E190 PolarHBondContact O-N 2.89Å
149	T	98.9	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.7	174.2	179.8	0	0	0	0	112.1	V42 A43 G44 H53 D56 V57 Y147 E190 D236	V42-T149 PolarHBondContact O-N 3.26Å; A43-T149 HydrophobicContact CB-CG2 4.47Å; G44-T149 PolarHBondContact N-O 3.42Å; H53-T149 HydrophobicContact CB-CG2 4.01Å; H53-T149 PolarHBondContact CD2-OG1 3.08Å; H53-T149 VanDerWaalsContact CD2-OG1 3.26Å; H53-T149 WeakPolarHBondContact O-CG2 3.33Å; D56-T149 HydrophobicContact CB-CG2 4.43Å; V57-T149 HydrophobicContact CG2-CG2 3.8Å; Y147-T149 HydrophobicContact CE1-CG2 3.91Å; Y147-T149 VanDerWaalsContact OH-CB 3.27Å; Y147-T149 WeakPolarHBondContact OH-CB 3.27Å; Y147-T149 WeakPolarHBondContact OH-CG2 3.44Å; T149-E190 WeakPolarHBondContact CA-O 3.18Å; T149-E190 WeakPolarHBondContact OG1-CG 3.24Å; T149-D236 PolarHBondContact OG1-OD2 3.47Å
150	D	97.9	Very high	98.1	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	8%	0.078	C	C	.	.	S	Bend	trans	-168.2	-161.5	170.4	-158.9	6.4	0	0	0	112.7	G44 S45 H53 F148 A158 E190 A191	G44-D150 WeakPolarHBondContact CA-OD2 3.45Å; S45-D150 WeakPolarHBondContact CB-OD1 3.42Å; S45-D150 PolarHBondContact N-OD2 3.01Å; S45-D150 PolarHBondContact OG-OD1 2.97Å; H53-D150 IonicContact CE1-OD1 2.72Å; H53-D150 PolarHBondContact CE1-OD1 2.82Å; H53-D150 IonicContact ND1-OD1 2.7Å; H53-D150 PolarHBondContact ND1-OD1 2.87Å; F148-D150 HydrophobicContact CE1-CB 3.58Å; F148-D150 HydrophobicContact CZ-CB 3.6Å; D150-A158 VanDerWaalsContact OD2-CB 3.31Å; D150-A158 WeakPolarHBondContact OD2-CB 3.38Å; D150-E190 PolarHBondContact N-O 3.03Å; D150-A191 VanDerWaalsContact O-CA 3.25Å; D150-A191 WeakPolarHBondContact O-CA 3.49Å; D150-A191 WeakPolarHBondContact O-CB 3.36Å
151	H	97.5	Very high	98.1	Very high	10 Å²	10	14.1 Å²	14.1	5%	0.046	8%	0.077	C	C	.	.			trans	-71.2	160.7	161.3	-59.6	-77.1	0	0	0	112.5	N50 R52 H53 A158 L394	N50-H151 PolarHBondContact OD1-NE2 3.19Å; R52-H151 PolarHBondContact NH2-CE1 2.82Å; H53-H151 AromaticContact CE1-NE2 3.85Å; H151-A158 HydrophobicContact CB-CB 4.09Å; H151-A158 PolarHBondContact O-N 2.89Å; H151-L394 HydrophobicContact CB-CD2 4.22Å; H151-L394 HydrophobicContact CB-CG 4.33Å
152	G	98	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	174.5	173.4	0	0	0	0	0	111.8	N192	G152-N192 CarbonylContact C-O 3.47Å; G152-N192 WeakPolarHBondContact CA-O 3.22Å
153	A	97.8	Very high	98.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	169.5	170.5	0	0	0	0	0	108	G155 L156 F404	A153-G155 PolarHBondContact O-N 3.45Å; A153-L156 HydrophobicContact CB-CD1 3.9Å; A153-L156 HydrophobicContact CB-CG 4.08Å; A153-L156 PolarHBondContact N-O 3Å; A153-L156 VanDerWaalsContact N-O 3.11Å; A153-L156 PolarHBondContact O-N 2.93Å; A153-F404 HydrophobicContact CB-CD1 4.04Å
154	P	97.7	Very high	98.2	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.019	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	118	177.3	-32	39.1	0	0	0	113.3	E193 T380 S405 Y408	P154-E193 HydrophobicContact CG-CB 4.24Å; P154-E193 HydrophobicContact CG-CG 3.97Å; P154-T380 WeakPolarHBondContact O-CG2 3.26Å; P154-S405 WeakPolarHBondContact CG-OG 3.41Å; P154-Y408 HydrophobicContact CB-CD1 4.08Å; P154-Y408 HydrophobicContact CB-CD2 3.46Å; P154-Y408 VanDerWaalsContact CB-CD2 3.46Å; P154-Y408 HydrophobicContact CB-CE2 4.05Å; P154-Y408 HydrophobicContact CB-CG 3.48Å; P154-Y408 VanDerWaalsContact CB-CG 3.48Å; P154-Y408 HydrophobicContact CG-CG 4.42Å
155	G	97.9	Very high	98.1	Very high	4 Å²	4	9.3 Å²	9.3	4%	0.041	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	5.7	177.2	0	0	0	0	0	115.6	A153 A166 S196	A153-G155 PolarHBondContact O-N 3.45Å; G155-A166 WeakPolarHBondContact O-CB 3.4Å; G155-A166 PolarHBondContact O-N 2.98Å; G155-S196 PolarHBondContact N-OG 3.07Å
156	L	98.3	Very high	98.1	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.5	178	65	87.6	0	0	0	113.8	A153 E163 L164 Y165 Y384 L394 F404	A153-L156 HydrophobicContact CB-CD1 3.9Å; A153-L156 HydrophobicContact CB-CG 4.08Å; A153-L156 PolarHBondContact N-O 3Å; A153-L156 VanDerWaalsContact N-O 3.11Å; A153-L156 PolarHBondContact O-N 2.93Å; L156-E163 HydrophobicContact CD1-CB 4.48Å; L156-E163 HydrophobicContact CD1-CG 4.16Å; L156-L164 WeakPolarHBondContact CA-O 3.49Å; L156-Y165 HydrophobicContact CB-CD1 3.94Å; L156-Y165 HydrophobicContact CB-CE1 4.34Å; L156-Y165 HydrophobicContact CD2-CD1 4.26Å; L156-Y165 HydrophobicContact CD2-CE1 3.89Å; L156-Y384 HydrophobicContact CD2-CD1 3.73Å; L156-Y384 HydrophobicContact CD2-CD2 3.8Å; L156-Y384 HydrophobicContact CD2-CE1 3.93Å; L156-Y384 HydrophobicContact CD2-CE2 4Å; L156-Y384 HydrophobicContact CD2-CG 3.66Å; L156-L394 HydrophobicContact CD1-CD2 3.87Å; L156-F404 HydrophobicContact CD2-CE1 4.42Å
157	I	98.4	Very high	98	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.1	164.9	57.9	-176.1	0	0	0	109.6	F148 E163 L164 I189 A191 M197	F148-I157 HydrophobicContact CD1-CD1 3.77Å; F148-I157 HydrophobicContact CD2-CD1 3.96Å; F148-I157 HydrophobicContact CE1-CB 3.83Å; F148-I157 HydrophobicContact CE1-CD1 3.76Å; F148-I157 HydrophobicContact CE1-CG1 4.15Å; F148-I157 HydrophobicContact CE1-CG2 4.31Å; F148-I157 HydrophobicContact CE2-CD1 3.95Å; F148-I157 HydrophobicContact CE2-CG1 4.49Å; F148-I157 HydrophobicContact CG-CD1 3.9Å; F148-I157 HydrophobicContact CZ-CB 4.11Å; F148-I157 HydrophobicContact CZ-CD1 3.87Å; F148-I157 HydrophobicContact CZ-CG1 4.1Å; I157-E163 WeakPolarHBondContact O-CA 3.29Å; I157-L164 HydrophobicContact CD1-CD2 4.2Å; I157-L164 HydrophobicContact CG1-CB 3.92Å; I157-L164 HydrophobicContact CG1-CD2 4.46Å; I157-L164 HydrophobicContact CG1-CG 4.49Å; I157-L164 PolarHBondContact N-O 3.1Å; I157-L164 PolarHBondContact O-N 3.42Å; I157-I189 HydrophobicContact CG2-CG2 4.2Å; I157-A191 HydrophobicContact CG2-CB 4.08Å; I157-M197 HydrophobicContact CD1-CE 4.18Å; I157-M197 HydrophobicContact CG1-CE 4.04Å; I157-M197 HydrophobicContact CG2-CE 4.36Å; I157-M197 HydrophobicContact CG2-CG 3.84Å; I157-M197 HydrophobicContact CG2-SD 4.02Å
158	A	98.2	Very high	98	Very high	3 Å²	3	16 Å²	16	3%	0.025	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	155.9	-175.4	0	0	0	0	0	112.6	F148 D150 H151 L394	F148-A158 WeakPolarHBondContact CZ-O 3.26Å; D150-A158 VanDerWaalsContact OD2-CB 3.31Å; D150-A158 WeakPolarHBondContact OD2-CB 3.38Å; H151-A158 HydrophobicContact CB-CB 4.09Å; H151-A158 PolarHBondContact O-N 2.89Å; A158-L394 HydrophobicContact CB-CD2 3.9Å
159	F	98.6	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.			trans	-126.1	173.7	158.5	-89.8	-92.7	0	0	0	107.1	V42 G44 V116 N117 F121 F148 D161 D162 L164 Q395	V42-F159 HydrophobicContact CG1-CE1 3.75Å; V42-F159 HydrophobicContact CG1-CZ 3.96Å; G44-F159 CarbonylContact O-C 3.55Å; G44-F159 WeakPolarHBondContact O-CA 3.38Å; V116-F159 HydrophobicContact CG1-CD1 4.11Å; V116-F159 HydrophobicContact CG1-CE1 4.28Å; N117-F159 VanDerWaalsContact CA-CD1 3.43Å; F121-F159 HydrophobicContact CB-CE1 4.07Å; F121-F159 HydrophobicContact CB-CE2 4.48Å; F121-F159 HydrophobicContact CB-CZ 3.57Å; F121-F159 HydrophobicContact CD1-CE2 4.27Å; F121-F159 AromaticContact CD1-CZ 3.89Å; F121-F159 HydrophobicContact CD1-CZ 3.89Å; F121-F159 AromaticContact CG-CZ 3.82Å; F121-F159 HydrophobicContact CG-CZ 3.82Å; F148-F159 HydrophobicContact CD2-CZ 4.36Å; F148-F159 HydrophobicContact CE2-CD2 4.32Å; F148-F159 HydrophobicContact CE2-CE1 4.35Å; F148-F159 AromaticContact CE2-CE2 3.7Å; F148-F159 HydrophobicContact CE2-CE2 3.7Å; F148-F159 AromaticContact CE2-CZ 3.72Å; F148-F159 HydrophobicContact CE2-CZ 3.72Å; F148-F159 HydrophobicContact CZ-CE2 4.45Å; F159-D161 PolarHBondContact O-N 3.18Å; F159-D161 VanDerWaalsContact O-N 3.14Å; F159-D162 CarbonylContact C-O 3.56Å; F159-D162 WeakPolarHBondContact CA-O 3.25Å; F159-D162 WeakPolarHBondContact CB-O 3.43Å; F159-D162 WeakPolarHBondContact CB-OD1 3.32Å; F159-D162 PolarHBondContact N-O 3.11Å; F159-L164 HydrophobicContact CD2-CB 4.3Å; F159-L164 HydrophobicContact CE2-CB 4.1Å; F159-Q395 PolarHBondContact O-NE2 2.95Å
160	P	97.7	Very high	98	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.032	8%	0.082	C	C	.	.	S	Bend	trans	-62.5	-31.1	-169.5	-22.7	34.3	0	0	0	113.4	G44 Y79 V116 Q395	G44-P160 WeakPolarHBondContact O-CD 3.11Å; G44-P160 VanDerWaalsContact O-CG 3.24Å; G44-P160 WeakPolarHBondContact O-CG 3.18Å; Y79-P160 HydrophobicContact CD2-CB 3.95Å; Y79-P160 HydrophobicContact CD2-CG 3.85Å; Y79-P160 HydrophobicContact CE2-CB 4.08Å; Y79-P160 HydrophobicContact CE2-CG 4.43Å; V116-P160 HydrophobicContact CB-CG 4.31Å; V116-P160 HydrophobicContact CG1-CG 4.14Å; V116-P160 WeakPolarHBondContact O-CD 3.44Å; V116-P160 WeakPolarHBondContact O-CG 3.47Å; P160-Q395 WeakPolarHBondContact O-CG 3.12Å
161	D	96.1	Very high	98	Very high	107 Å²	107	19.9 Å²	19.9	57%	0.572	11%	0.107	S	C	*	.	S	Bend	trans	-132.4	0.1	-175.1	-62.1	-57.1	0	0	0	113	F159	F159-D161 PolarHBondContact O-N 3.18Å; F159-D161 VanDerWaalsContact O-N 3.14Å
162	D	97.4	Very high	98.1	Very high	32 Å²	32	19.4 Å²	19.4	17%	0.171	11%	0.105	C	C	.	.	S	Bend	trans	-152.2	-175	179.2	64.8	-5.5	0	0	0	112	S118 F159 Q395	S118-D162 PolarHBondContact N-OD1 3.5Å; S118-D162 PolarHBondContact N-OD2 3.19Å; S118-D162 PolarHBondContact OG-OD2 3.24Å; F159-D162 CarbonylContact C-O 3.56Å; F159-D162 WeakPolarHBondContact CA-O 3.25Å; F159-D162 WeakPolarHBondContact CB-O 3.43Å; F159-D162 WeakPolarHBondContact CB-OD1 3.32Å; F159-D162 PolarHBondContact N-O 3.11Å; D162-Q395 PolarHBondContact O-NE2 2.96Å
163	E	97.9	Very high	98.1	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.047	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.3	177.6	-58.7	75.4	-151.7	0	0	110.4	S118 L156 I157 Y384 K388 Q395	S118-E163 VanDerWaalsContact CB-O 3.31Å; S118-E163 WeakPolarHBondContact CB-O 3.38Å; S118-E163 PolarHBondContact OG-O 2.89Å; S118-E163 VanDerWaalsContact OG-O 3.07Å; L156-E163 HydrophobicContact CD1-CB 4.48Å; L156-E163 HydrophobicContact CD1-CG 4.16Å; I157-E163 WeakPolarHBondContact O-CA 3.29Å; E163-Y384 HydrophobicContact CG-CE1 3.67Å; E163-K388 IonicContact OE2-NZ 2.76Å; E163-K388 PolarHBondContact OE2-NZ 3.05Å; E163-Q395 PolarHBondContact OE1-NE2 2.88Å; E163-Q395 PolarHBondContact OE1-OE1 3.01Å
164	L	98.7	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.1	164.4	177.8	60.5	0	0	0	109.5	F121 L122 L156 I157 F159 E168 F169	F121-L164 HydrophobicContact CD1-CD2 3.84Å; F121-L164 HydrophobicContact CE1-CD2 3.77Å; L122-L164 HydrophobicContact CD1-CD1 3.8Å; L122-L164 HydrophobicContact CD2-CD1 3.91Å; L122-L164 HydrophobicContact CD2-CD2 4.17Å; L122-L164 HydrophobicContact CG-CD1 4.09Å; L156-L164 WeakPolarHBondContact CA-O 3.49Å; I157-L164 HydrophobicContact CD1-CD2 4.2Å; I157-L164 HydrophobicContact CG1-CB 3.92Å; I157-L164 HydrophobicContact CG1-CD2 4.46Å; I157-L164 HydrophobicContact CG1-CG 4.49Å; I157-L164 PolarHBondContact N-O 3.1Å; I157-L164 PolarHBondContact O-N 3.42Å; F159-L164 HydrophobicContact CD2-CB 4.3Å; F159-L164 HydrophobicContact CE2-CB 4.1Å; L164-E168 HydrophobicContact CD1-CB 4.17Å; L164-E168 HydrophobicContact CD1-CG 4.3Å; L164-F169 HydrophobicContact CD1-CB 4.23Å; L164-F169 HydrophobicContact CD2-CB 3.95Å; L164-F169 HydrophobicContact CD2-CD2 3.87Å; L164-F169 HydrophobicContact CD2-CG 4.03Å; L164-F169 HydrophobicContact CG-CB 4.04Å
165	Y	98.5	Very high	98.2	Very high	12 Å²	12	28.7 Å²	28.7	5%	0.047	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	146.6	176.8	-60.4	-74.7	0	0	0	112	L156 K167 E168 F169 E381 Y384 E385	L156-Y165 HydrophobicContact CB-CD1 3.94Å; L156-Y165 HydrophobicContact CB-CE1 4.34Å; L156-Y165 HydrophobicContact CD2-CD1 4.26Å; L156-Y165 HydrophobicContact CD2-CE1 3.89Å; Y165-K167 VanDerWaalsContact C-N 3.25Å; Y165-K167 PolarHBondContact O-N 2.79Å; Y165-E168 PolarHBondContact O-N 3.35Å; Y165-F169 PolarHBondContact O-N 3.02Å; Y165-E381 HydrophobicContact CD1-CB 4.13Å; Y165-E381 HydrophobicContact CD1-CG 3.98Å; Y165-E381 HydrophobicContact CD2-CG 3.81Å; Y165-E381 HydrophobicContact CE1-CB 4.26Å; Y165-E381 HydrophobicContact CE1-CG 3.97Å; Y165-E381 HydrophobicContact CE2-CG 3.79Å; Y165-E381 HydrophobicContact CG-CB 4.39Å; Y165-E381 HydrophobicContact CG-CG 3.9Å; Y165-Y384 HydrophobicContact CE1-CD1 4.07Å; Y165-Y384 WeakPolarHBondContact OH-CD1 3.34Å; Y165-E385 PolarHBondContact OH-OE1 3.5Å
166	A	98.5	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.3	-38.6	-179.9	0	0	0	0	0	112.6	G155 F169 M170 M197 I201 L377	G155-A166 WeakPolarHBondContact O-CB 3.4Å; G155-A166 PolarHBondContact O-N 2.98Å; A166-F169 PolarHBondContact O-N 3.04Å; A166-M170 VanDerWaalsContact O-CB 3.26Å; A166-M170 WeakPolarHBondContact O-CB 3.43Å; A166-M170 PolarHBondContact O-N 2.89Å; A166-M197 HydrophobicContact CB-CE 4.1Å; A166-M197 HydrophobicContact CB-SD 3.82Å; A166-I201 HydrophobicContact CB-CD1 3.82Å; A166-L377 HydrophobicContact CB-CD1 4.47Å; A166-L377 HydrophobicContact CB-CD2 4.24Å
167	K	97.4	Very high	98.2	Very high	63 Å²	63	32 Å²	32	27%	0.274	16%	0.157	S	C	.	.	H	α-helix	trans	-67.6	-43.5	179.2	-170.6	165	177.2	155.9	0	112.1	Y165 M170 S171 D374 D378	Y165-K167 VanDerWaalsContact C-N 3.25Å; Y165-K167 PolarHBondContact O-N 2.79Å; K167-M170 PolarHBondContact O-N 2.67Å; K167-S171 WeakPolarHBondContact O-CB 3.26Å; K167-S171 PolarHBondContact O-N 3.31Å; K167-D374 WeakPolarHBondContact CE-OD1 3.47Å; K167-D374 VanDerWaalsContact NZ-CG 3.32Å; K167-D374 IonicContact NZ-OD1 3.89Å; K167-D374 PolarHBondContact NZ-OD1 3.24Å; K167-D374 IonicContact NZ-OD2 2.62Å; K167-D374 PolarHBondContact NZ-OD2 3.4Å; K167-D378 WeakPolarHBondContact CD-OD1 3.27Å; K167-D378 VanDerWaalsContact CE-OD1 3.25Å; K167-D378 WeakPolarHBondContact CE-OD1 3.13Å; K167-D378 IonicContact NZ-OD1 3.59Å; K167-D378 PolarHBondContact NZ-OD1 3.02Å; K167-D378 IonicContact NZ-OD2 2.69Å; K167-D378 PolarHBondContact NZ-OD2 3.27Å
168	E	97.9	Very high	98.2	Very high	77 Å²	77	35.6 Å²	35.6	36%	0.36	18%	0.182	S	C	.	.	H	α-helix	trans	-65.4	-42.6	176.1	-169	-178.1	-168.2	0	0	111.6	L122 L164 Y165 S171 T172	L122-E168 HydrophobicContact CD1-CG 3.61Å; L122-E168 WeakPolarHBondContact CD1-OE1 3.31Å; L164-E168 HydrophobicContact CD1-CB 4.17Å; L164-E168 HydrophobicContact CD1-CG 4.3Å; Y165-E168 PolarHBondContact O-N 3.35Å; E168-S171 WeakPolarHBondContact O-CB 3.24Å; E168-S171 PolarHBondContact O-N 3.05Å; E168-T172 PolarHBondContact O-N 3.15Å; E168-T172 PolarHBondContact O-OG1 3.12Å
169	F	98.7	Very high	98.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-47.5	175.7	-173.8	-137.5	0	0	0	111.2	F121 L122 L125 L164 Y165 A166 S171 T172 L173 I187 I189 M197 F198	F121-F169 HydrophobicContact CE1-CD2 4.33Å; F121-F169 AromaticContact CE1-CE2 3.99Å; F121-F169 HydrophobicContact CE1-CE2 3.99Å; F121-F169 HydrophobicContact CZ-CE2 4.25Å; L122-F169 HydrophobicContact CD2-CD2 4.39Å; L125-F169 HydrophobicContact CD1-CE2 4.01Å; L164-F169 HydrophobicContact CD1-CB 4.23Å; L164-F169 HydrophobicContact CD2-CB 3.95Å; L164-F169 HydrophobicContact CD2-CD2 3.87Å; L164-F169 HydrophobicContact CD2-CG 4.03Å; L164-F169 HydrophobicContact CG-CB 4.04Å; Y165-F169 PolarHBondContact O-N 3.02Å; A166-F169 PolarHBondContact O-N 3.04Å; F169-S171 VanDerWaalsContact C-N 3.34Å; F169-S171 PolarHBondContact O-N 3.05Å; F169-T172 WeakPolarHBondContact O-CA 3.35Å; F169-T172 WeakPolarHBondContact O-CB 3.49Å; F169-T172 PolarHBondContact O-N 2.79Å; F169-L173 HydrophobicContact CD1-CD1 4.24Å; F169-L173 HydrophobicContact CD2-CG 4.4Å; F169-L173 HydrophobicContact CE1-CD1 3.98Å; F169-L173 HydrophobicContact CE2-CD1 4.47Å; F169-L173 HydrophobicContact CE2-CD2 4.05Å; F169-L173 HydrophobicContact CE2-CG 4.19Å; F169-L173 HydrophobicContact CZ-CD1 4.1Å; F169-L173 HydrophobicContact CZ-CD2 4.12Å; F169-L173 HydrophobicContact CZ-CG 4.28Å; F169-L173 WeakPolarHBondContact O-CG 3.32Å; F169-L173 PolarHBondContact O-N 2.91Å; F169-I187 HydrophobicContact CE1-CD1 4.48Å; F169-I187 HydrophobicContact CZ-CD1 4.11Å; F169-I187 HydrophobicContact CZ-CG2 4.35Å; F169-I189 HydrophobicContact CE1-CD1 4.16Å; F169-M197 HydrophobicContact CB-CE 4.17Å; F169-M197 HydrophobicContact CD1-CE 4.07Å; F169-M197 HydrophobicContact CG-CE 4.47Å; F169-F198 HydrophobicContact CD1-CE1 4.31Å; F169-F198 AromaticContact CE1-CE1 3.75Å; F169-F198 HydrophobicContact CE1-CE1 3.75Å; F169-F198 AromaticContact CE1-CZ 3.87Å; F169-F198 HydrophobicContact CE1-CZ 3.87Å
170	M	98.4	Very high	98.2	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.039	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-35.6	178.8	-161.6	58.6	-108.1	0	0	112.4	A166 K167 T172 L173 K174 L202 L206	A166-M170 VanDerWaalsContact O-CB 3.26Å; A166-M170 WeakPolarHBondContact O-CB 3.43Å; A166-M170 PolarHBondContact O-N 2.89Å; K167-M170 PolarHBondContact O-N 2.67Å; M170-T172 VanDerWaalsContact C-N 3.31Å; M170-T172 PolarHBondContact O-N 3.33Å; M170-L173 HydrophobicContact CE-CB 3.47Å; M170-L173 VanDerWaalsContact CE-CB 3.47Å; M170-L173 HydrophobicContact CE-CD1 3.96Å; M170-L173 HydrophobicContact CE-CG 4.34Å; M170-L173 PolarHBondContact O-N 2.99Å; M170-L173 HydrophobicContact SD-CB 4.48Å; M170-L173 HydrophobicContact SD-CD1 4.03Å; M170-K174 HydrophobicContact CE-CG 3.97Å; M170-K174 WeakPolarHBondContact O-CG 3.46Å; M170-K174 PolarHBondContact O-N 3.04Å; M170-L202 HydrophobicContact CE-CD1 3.81Å; M170-L202 HydrophobicContact SD-CB 4.34Å; M170-L202 HydrophobicContact SD-CD1 3.72Å; M170-L206 HydrophobicContact CE-CD1 3.48Å; M170-L206 VanDerWaalsContact CE-CD1 3.48Å
171	S	98.3	Very high	98.2	Very high	76 Å²	76	49.4 Å²	49.4	53%	0.531	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-43.5	170.6	-176.7	0	0	0	0	111.4	K167 E168 F169 K174 Y175	K167-S171 WeakPolarHBondContact O-CB 3.26Å; K167-S171 PolarHBondContact O-N 3.31Å; E168-S171 WeakPolarHBondContact O-CB 3.24Å; E168-S171 PolarHBondContact O-N 3.05Å; F169-S171 VanDerWaalsContact C-N 3.34Å; F169-S171 PolarHBondContact O-N 3.05Å; S171-K174 PolarHBondContact O-N 2.8Å; S171-Y175 PolarHBondContact O-N 3.18Å
172	T	98.8	Very high	98.3	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-44	176.1	-64.3	0	0	0	0	112.1	L122 L125 K126 E168 F169 M170 K174 Y175 L176	L122-T172 HydrophobicContact CD2-CG2 3.97Å; L125-T172 HydrophobicContact CB-CG2 4.24Å; L125-T172 HydrophobicContact CD1-CG2 4.21Å; K126-T172 WeakPolarHBondContact CE-OG1 3.18Å; K126-T172 HydrophobicContact CG-CG2 4.1Å; E168-T172 PolarHBondContact O-N 3.15Å; E168-T172 PolarHBondContact O-OG1 3.12Å; F169-T172 WeakPolarHBondContact O-CA 3.35Å; F169-T172 WeakPolarHBondContact O-CB 3.49Å; F169-T172 PolarHBondContact O-N 2.79Å; M170-T172 VanDerWaalsContact C-N 3.31Å; M170-T172 PolarHBondContact O-N 3.33Å; T172-K174 VanDerWaalsContact C-N 3.35Å; T172-K174 PolarHBondContact O-N 3.23Å; T172-Y175 WeakPolarHBondContact O-CA 3.44Å; T172-Y175 VanDerWaalsContact O-CB 3.31Å; T172-Y175 WeakPolarHBondContact O-CB 3.48Å; T172-Y175 PolarHBondContact O-N 3.09Å; T172-Y175 VanDerWaalsContact O-N 3.1Å; T172-L176 HydrophobicContact CG2-CG 4.47Å; T172-L176 WeakPolarHBondContact O-CG 3.46Å; T172-L176 PolarHBondContact O-N 2.96Å
173	L	98.8	Very high	98.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-41.5	176.2	-66.9	-179.9	0	0	0	112.4	F169 M170 Y175 L176 H177 L185 I187 F198 L202 I208	F169-L173 HydrophobicContact CD1-CD1 4.24Å; F169-L173 HydrophobicContact CD2-CG 4.4Å; F169-L173 HydrophobicContact CE1-CD1 3.98Å; F169-L173 HydrophobicContact CE2-CD1 4.47Å; F169-L173 HydrophobicContact CE2-CD2 4.05Å; F169-L173 HydrophobicContact CE2-CG 4.19Å; F169-L173 HydrophobicContact CZ-CD1 4.1Å; F169-L173 HydrophobicContact CZ-CD2 4.12Å; F169-L173 HydrophobicContact CZ-CG 4.28Å; F169-L173 WeakPolarHBondContact O-CG 3.32Å; F169-L173 PolarHBondContact O-N 2.91Å; M170-L173 HydrophobicContact CE-CB 3.47Å; M170-L173 VanDerWaalsContact CE-CB 3.47Å; M170-L173 HydrophobicContact CE-CD1 3.96Å; M170-L173 HydrophobicContact CE-CG 4.34Å; M170-L173 PolarHBondContact O-N 2.99Å; M170-L173 HydrophobicContact SD-CB 4.48Å; M170-L173 HydrophobicContact SD-CD1 4.03Å; L173-Y175 VanDerWaalsContact C-N 3.33Å; L173-Y175 PolarHBondContact O-N 3.3Å; L173-L176 HydrophobicContact CD2-CD1 4.32Å; L173-L176 PolarHBondContact O-N 3.47Å; L173-H177 PolarHBondContact O-N 3.32Å; L173-L185 HydrophobicContact CD2-CD2 3.7Å; L173-I187 HydrophobicContact CD1-CD1 3.88Å; L173-I187 HydrophobicContact CD2-CD1 3.78Å; L173-F198 HydrophobicContact CD1-CE1 4.34Å; L173-L202 HydrophobicContact CD1-CD1 4.41Å; L173-I208 HydrophobicContact CB-CD1 3.91Å; L173-I208 HydrophobicContact CD1-CD1 4.15Å; L173-I208 HydrophobicContact CD2-CD1 4.3Å; L173-I208 HydrophobicContact CG-CD1 4.34Å
174	K	98.7	Very high	98.4	Very high	114 Å²	114	47.2 Å²	47.2	50%	0.496	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-38.8	172.9	-72.5	171.8	-179.7	173.6	0	112	M170 S171 T172 H177 S178 L206	M170-K174 HydrophobicContact CE-CG 3.97Å; M170-K174 WeakPolarHBondContact O-CG 3.46Å; M170-K174 PolarHBondContact O-N 3.04Å; S171-K174 PolarHBondContact O-N 2.8Å; T172-K174 VanDerWaalsContact C-N 3.35Å; T172-K174 PolarHBondContact O-N 3.23Å; K174-H177 PolarHBondContact O-N 3.45Å; K174-S178 WeakPolarHBondContact O-CB 3.45Å; K174-S178 PolarHBondContact O-N 3.19Å; K174-S178 PolarHBondContact O-OG 2.79Å; K174-L206 HydrophobicContact CG-CD1 4.21Å
175	Y	98.7	Very high	98.4	Very high	84 Å²	84	47.2 Å²	47.2	33%	0.329	23%	0.23	S	C	.	.	H	α-helix	trans	-60.7	-48.7	173.1	170.5	-84.6	0	0	0	111.1	K126 S171 T172 L173 H177 S178 H179	K126-Y175 HydrophobicContact CB-CD1 4.41Å; K126-Y175 HydrophobicContact CB-CE1 3.88Å; K126-Y175 HydrophobicContact CD-CD1 4.29Å; K126-Y175 HydrophobicContact CD-CE1 4.31Å; K126-Y175 HydrophobicContact CG-CD1 3.7Å; K126-Y175 HydrophobicContact CG-CE1 3.66Å; S171-Y175 PolarHBondContact O-N 3.18Å; T172-Y175 WeakPolarHBondContact O-CA 3.44Å; T172-Y175 VanDerWaalsContact O-CB 3.31Å; T172-Y175 WeakPolarHBondContact O-CB 3.48Å; T172-Y175 PolarHBondContact O-N 3.09Å; T172-Y175 VanDerWaalsContact O-N 3.1Å; L173-Y175 VanDerWaalsContact C-N 3.33Å; L173-Y175 PolarHBondContact O-N 3.3Å; Y175-H177 VanDerWaalsContact C-N 3.32Å; Y175-H177 PolarHBondContact O-N 2.82Å; Y175-S178 WeakPolarHBondContact CA-OG 3.24Å; Y175-S178 PolarHBondContact O-N 2.98Å; Y175-S178 PolarHBondContact O-OG 2.77Å; Y175-H179 AromaticContact CD2-CE1 3.33Å; Y175-H179 WeakPolarHBondContact CD2-CE1 3.12Å; Y175-H179 AromaticContact CD2-ND1 3.45Å; Y175-H179 WeakPolarHBondContact CD2-ND1 3.24Å; Y175-H179 AromaticContact CD2-NE2 3.99Å; Y175-H179 HydrophobicContact CE1-CB 4.48Å; Y175-H179 AromaticContact CE2-CD2 3.77Å; Y175-H179 AromaticContact CE2-CE1 3.25Å; Y175-H179 WeakPolarHBondContact CE2-CE1 3.45Å; Y175-H179 AromaticContact CE2-CG 3.83Å; Y175-H179 AromaticContact CE2-ND1 3.51Å; Y175-H179 AromaticContact CE2-NE2 3.42Å; Y175-H179 WeakPolarHBondContact CE2-NE2 3.41Å; Y175-H179 AromaticContact CG-ND1 3.85Å; Y175-H179 AromaticContact CZ-CD2 3.87Å; Y175-H179 AromaticContact CZ-CG 3.85Å; Y175-H179 AromaticContact CZ-ND1 3.96Å; Y175-H179 WeakPolarHBondContact O-CB 2.9Å; Y175-H179 PolarHBondContact O-N 3.35Å; Y175-H179 PolarHBondContact O-ND1 3.19Å
176	L	98.7	Very high	98.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-44.6	179.1	-63.5	-176.8	0	0	0	111.9	L125 T172 L173 K180 R181 Y182	L125-L176 HydrophobicContact CB-CD1 4.24Å; L125-L176 HydrophobicContact CB-CD2 4.43Å; L125-L176 WeakPolarHBondContact O-CD2 3.49Å; T172-L176 HydrophobicContact CG2-CG 4.47Å; T172-L176 WeakPolarHBondContact O-CG 3.46Å; T172-L176 PolarHBondContact O-N 2.96Å; L173-L176 HydrophobicContact CD2-CD1 4.32Å; L173-L176 PolarHBondContact O-N 3.47Å; L176-K180 PolarHBondContact O-N 3.09Å; L176-R181 HydrophobicContact CB-CB 4.08Å; L176-R181 HydrophobicContact CB-CG 4.39Å; L176-R181 HydrophobicContact CD2-CB 4.01Å; L176-R181 HydrophobicContact CD2-CG 3.96Å; L176-R181 WeakPolarHBondContact O-CB 3.35Å; L176-R181 WeakPolarHBondContact O-CG 3.26Å; L176-R181 PolarHBondContact O-N 3.23Å; L176-Y182 HydrophobicContact CB-CD1 3.96Å; L176-Y182 HydrophobicContact CB-CE1 3.61Å
177	H	98.5	Very high	98.4	Very high	73 Å²	73	46.7 Å²	46.7	34%	0.338	23%	0.228	S	C	.	.	H	α-helix	trans	-61.5	-53.9	177.3	-175.4	73.4	0	0	0	112.2	L173 K174 Y175 H179 K180 Y182 L206	L173-H177 PolarHBondContact O-N 3.32Å; K174-H177 PolarHBondContact O-N 3.45Å; Y175-H177 VanDerWaalsContact C-N 3.32Å; Y175-H177 PolarHBondContact O-N 2.82Å; H177-H179 PolarHBondContact O-N 3.48Å; H177-K180 PolarHBondContact O-N 3.38Å; H177-Y182 HydrophobicContact CB-CE1 4.47Å; H177-Y182 WeakPolarHBondContact CB-OH 3.43Å; H177-L206 HydrophobicContact CB-CD2 3.91Å; H177-L206 VanDerWaalsContact CD2-CD2 3.49Å; H177-L206 WeakPolarHBondContact CD2-CD2 3.3Å; H177-L206 PolarHBondContact ND1-O 2.6Å
178	S	98.2	Very high	98.5	Very high	76 Å²	76	43.8 Å²	43.8	53%	0.531	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-30.1	-178.2	53	0	0	0	0	113.2	K174 Y175 K180	K174-S178 WeakPolarHBondContact O-CB 3.45Å; K174-S178 PolarHBondContact O-N 3.19Å; K174-S178 PolarHBondContact O-OG 2.79Å; Y175-S178 WeakPolarHBondContact CA-OG 3.24Å; Y175-S178 PolarHBondContact O-N 2.98Å; Y175-S178 PolarHBondContact O-OG 2.77Å; S178-K180 VanDerWaalsContact C-N 3.31Å
179	H	98.4	Very high	98.6	Very high	102 Å²	102	40.2 Å²	40.2	47%	0.472	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	10.5	176.8	-65.8	69.5	0	0	0	113	Y175 H177 R181	Y175-H179 AromaticContact CD2-CE1 3.33Å; Y175-H179 WeakPolarHBondContact CD2-CE1 3.12Å; Y175-H179 AromaticContact CD2-ND1 3.45Å; Y175-H179 WeakPolarHBondContact CD2-ND1 3.24Å; Y175-H179 AromaticContact CD2-NE2 3.99Å; Y175-H179 HydrophobicContact CE1-CB 4.48Å; Y175-H179 AromaticContact CE2-CD2 3.77Å; Y175-H179 AromaticContact CE2-CE1 3.25Å; Y175-H179 WeakPolarHBondContact CE2-CE1 3.45Å; Y175-H179 AromaticContact CE2-CG 3.83Å; Y175-H179 AromaticContact CE2-ND1 3.51Å; Y175-H179 AromaticContact CE2-NE2 3.42Å; Y175-H179 WeakPolarHBondContact CE2-NE2 3.41Å; Y175-H179 AromaticContact CG-ND1 3.85Å; Y175-H179 AromaticContact CZ-CD2 3.87Å; Y175-H179 AromaticContact CZ-CG 3.85Å; Y175-H179 AromaticContact CZ-ND1 3.96Å; Y175-H179 WeakPolarHBondContact O-CB 2.9Å; Y175-H179 PolarHBondContact O-N 3.35Å; Y175-H179 PolarHBondContact O-ND1 3.19Å; H177-H179 PolarHBondContact O-N 3.48Å; H179-R181 VanDerWaalsContact C-N 3.29Å; H179-R181 HydrophobicContact CB-CG 3.95Å; H179-R181 PolarHBondContact O-N 2.82Å
180	K	98	Very high	98.6	Very high	138 Å²	138	40 Å²	40	60%	0.6	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	48	177.5	-50.8	-178.3	179.6	178.7	0	112.3	G139 K140 L176 H177 S178 Y182	G139-K180 CarbonylContact C-O 3.53Å; G139-K180 WeakPolarHBondContact CA-O 3.15Å; K140-K180 WeakPolarHBondContact CA-O 3.27Å; K140-K180 HydrophobicContact CB-CB 3.85Å; K140-K180 PolarHBondContact N-O 3.22Å; L176-K180 PolarHBondContact O-N 3.09Å; H177-K180 PolarHBondContact O-N 3.38Å; S178-K180 VanDerWaalsContact C-N 3.31Å; K180-Y182 VanDerWaalsContact C-N 3.28Å
181	R	97.9	Very high	98.6	Very high	59 Å²	59	39.7 Å²	39.7	22%	0.223	20%	0.196	C	C	.	.			trans	-83.1	-4.1	-178.4	-59.8	-62.3	-63.3	-172.3	-1.3	113.4	L136 S138 G139 L176 H179	L136-R181 PolarHBondContact O-NH2 3.36Å; S138-R181 CarbonylContact C-O 3.36Å; S138-R181 VanDerWaalsContact CB-O 3.28Å; S138-R181 WeakPolarHBondContact CB-O 3.29Å; S138-R181 PolarHBondContact OG-O 2.96Å; G139-R181 CarbonylContact O-C 3.58Å; L176-R181 HydrophobicContact CB-CB 4.08Å; L176-R181 HydrophobicContact CB-CG 4.39Å; L176-R181 HydrophobicContact CD2-CB 4.01Å; L176-R181 HydrophobicContact CD2-CG 3.96Å; L176-R181 WeakPolarHBondContact O-CB 3.35Å; L176-R181 WeakPolarHBondContact O-CG 3.26Å; L176-R181 PolarHBondContact O-N 3.23Å; H179-R181 VanDerWaalsContact C-N 3.29Å; H179-R181 HydrophobicContact CB-CG 3.95Å; H179-R181 PolarHBondContact O-N 2.82Å
182	Y	98.5	Very high	98.6	Very high	13 Å²	13	36 Å²	36	5%	0.051	17%	0.171	C	C	.	.			trans	-156.4	160.5	174.8	59	-95.9	0	0	0	109.3	G139 D142 L176 H177 K180 L185 L206 I208	G139-Y182 CarbonylContact O-C 3.55Å; G139-Y182 VanDerWaalsContact O-CA 3.22Å; G139-Y182 WeakPolarHBondContact O-CA 3.49Å; G139-Y182 PolarHBondContact O-N 3.35Å; D142-Y182 CarbonylContact O-C 3.51Å; D142-Y182 VanDerWaalsContact O-CA 3.27Å; D142-Y182 WeakPolarHBondContact O-CA 3.11Å; L176-Y182 HydrophobicContact CB-CD1 3.96Å; L176-Y182 HydrophobicContact CB-CE1 3.61Å; H177-Y182 HydrophobicContact CB-CE1 4.47Å; H177-Y182 WeakPolarHBondContact CB-OH 3.43Å; K180-Y182 VanDerWaalsContact C-N 3.28Å; Y182-L185 HydrophobicContact CD1-CB 4.26Å; Y182-L185 HydrophobicContact CD1-CD2 4.34Å; Y182-L185 HydrophobicContact CD2-CB 3.82Å; Y182-L185 HydrophobicContact CE1-CB 4.28Å; Y182-L185 HydrophobicContact CE1-CD2 3.99Å; Y182-L185 HydrophobicContact CE2-CB 3.83Å; Y182-L185 HydrophobicContact CG-CB 4.04Å; Y182-L206 VanDerWaalsContact CE2-O 3.31Å; Y182-L206 WeakPolarHBondContact CE2-O 3.13Å; Y182-L206 PolarHBondContact OH-O 2.9Å; Y182-I208 HydrophobicContact CE2-CG1 4.4Å; Y182-I208 WeakPolarHBondContact OH-CD1 3.48Å; Y182-I208 VanDerWaalsContact OH-CG1 3.29Å; Y182-I208 WeakPolarHBondContact OH-CG1 3.49Å
183	S	98.3	Very high	98.5	Very high	43 Å²	43	36 Å²	36	30%	0.301	17%	0.171	S	C	.	.	S	Bend	trans	-83	-55.7	163.7	145.1	0	0	0	0	108.9	K140 D142 D143	K140-S183 WeakPolarHBondContact O-CB 3.43Å; D142-S183 PolarHBondContact O-N 3.01Å; D143-S183 WeakPolarHBondContact OD1-CB 3.35Å; D143-S183 PolarHBondContact OD1-OG 2.93Å
184	K	98.6	Very high	98.5	Very high	46 Å²	46	36 Å²	36	20%	0.2	17%	0.171	C	C	.	.			trans	-135.9	150.7	173.2	-51.7	-175.7	-141.1	90.4	0	111	D143 V144 M280 L283 E287 F288	D143-K184 WeakPolarHBondContact CA-O 3.19Å; D143-K184 WeakPolarHBondContact OD1-CB 3.02Å; D143-K184 PolarHBondContact OD1-N 3.11Å; D143-K184 IonicContact OD1-NZ 4Å; D143-K184 IonicContact OD2-NZ 2.85Å; D143-K184 PolarHBondContact OD2-NZ 2.74Å; D143-K184 VanDerWaalsContact OD2-NZ 3.07Å; V144-K184 PolarHBondContact N-O 3.49Å; K184-M280 HydrophobicContact CB-CE 3.77Å; K184-M280 HydrophobicContact CD-CE 4.41Å; K184-M280 HydrophobicContact CG-CE 4.5Å; K184-L283 HydrophobicContact CD-CD1 3.25Å; K184-E287 IonicContact NZ-OE2 3.58Å; K184-E287 PolarHBondContact NZ-OE2 2.65Å; K184-F288 HydrophobicContact CB-CE1 3.69Å; K184-F288 HydrophobicContact CB-CZ 3.79Å; K184-F288 HydrophobicContact CD-CZ 4.24Å
185	L	98.8	Very high	98.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127	-178	178.2	65.8	0	0	0	110.7	V144 I146 L173 Y182 I187 S207 I208 Y209	V144-L185 HydrophobicContact CB-CD1 3.56Å; V144-L185 HydrophobicContact CG1-CD1 3.53Å; V144-L185 CarbonylContact O-C 3.55Å; V144-L185 WeakPolarHBondContact O-CA 3.31Å; I146-L185 HydrophobicContact CD1-CD1 3.73Å; I146-L185 HydrophobicContact CD1-CD2 4.42Å; I146-L185 HydrophobicContact CG1-CD1 3.93Å; L173-L185 HydrophobicContact CD2-CD2 3.7Å; Y182-L185 HydrophobicContact CD1-CB 4.26Å; Y182-L185 HydrophobicContact CD1-CD2 4.34Å; Y182-L185 HydrophobicContact CD2-CB 3.82Å; Y182-L185 HydrophobicContact CE1-CB 4.28Å; Y182-L185 HydrophobicContact CE1-CD2 3.99Å; Y182-L185 HydrophobicContact CE2-CB 3.83Å; Y182-L185 HydrophobicContact CG-CB 4.04Å; L185-I187 HydrophobicContact CD1-CG1 4.37Å; L185-I187 HydrophobicContact CD2-CD1 3.89Å; L185-I187 HydrophobicContact CD2-CG1 4.16Å; L185-I187 HydrophobicContact CG-CD1 4.19Å; L185-I187 HydrophobicContact CG-CG1 3.9Å; L185-S207 PolarHBondContact N-O 2.79Å; L185-I208 HydrophobicContact CB-CG1 4.16Å; L185-I208 HydrophobicContact CD2-CD1 4.02Å; L185-I208 HydrophobicContact CD2-CG1 4.01Å; L185-I208 HydrophobicContact CD2-CG2 4.25Å; L185-I208 HydrophobicContact CG-CG1 4.5Å; L185-I208 HydrophobicContact CG-CG2 4.34Å; L185-I208 CarbonylContact O-C 3.08Å; L185-I208 VanDerWaalsContact O-CA 3.27Å; L185-I208 WeakPolarHBondContact O-CA 3.45Å; L185-Y209 PolarHBondContact O-N 3.42Å
186	V	98.9	Very high	98.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.5	171	171.2	0	0	0	0	109.5	V144 F145 I146 Y188 Y209 L256 M280 F288	V144-V186 PolarHBondContact O-N 3Å; F145-V186 CarbonylContact C-O 3.53Å; F145-V186 WeakPolarHBondContact CA-O 3.42Å; F145-V186 HydrophobicContact CD2-CB 4.13Å; F145-V186 HydrophobicContact CD2-CG1 3.81Å; F145-V186 HydrophobicContact CE2-CG1 4.04Å; I146-V186 PolarHBondContact N-O 2.83Å; V186-Y188 HydrophobicContact CG1-CD1 3.87Å; V186-Y188 HydrophobicContact CG1-CE1 3.37Å; V186-Y209 CarbonylContact C-O 3.45Å; V186-Y209 VanDerWaalsContact CA-O 3.25Å; V186-Y209 WeakPolarHBondContact CA-O 3.39Å; V186-Y209 HydrophobicContact CG1-CD1 4.43Å; V186-Y209 HydrophobicContact CG2-CD1 4.46Å; V186-L256 HydrophobicContact CG1-CD2 4.42Å; V186-L256 HydrophobicContact CG2-CD1 3.76Å; V186-L256 HydrophobicContact CG2-CD2 4.24Å; V186-M280 HydrophobicContact CG2-CE 4.21Å; V186-F288 HydrophobicContact CB-CB 4.44Å; V186-F288 HydrophobicContact CB-CD1 3.88Å; V186-F288 HydrophobicContact CB-CE1 4.28Å; V186-F288 HydrophobicContact CB-CG 4.02Å; V186-F288 HydrophobicContact CG2-CB 4.41Å; V186-F288 HydrophobicContact CG2-CD1 3.48Å; V186-F288 VanDerWaalsContact CG2-CD1 3.48Å; V186-F288 HydrophobicContact CG2-CD2 3.65Å; V186-F288 HydrophobicContact CG2-CE1 3.5Å; V186-F288 HydrophobicContact CG2-CE2 3.68Å; V186-F288 HydrophobicContact CG2-CG 3.55Å; V186-F288 HydrophobicContact CG2-CZ 3.6Å
187	I	99	Very high	98.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.6	-177.6	-47.7	176.4	0	0	0	110.6	I146 F169 L173 L185 I189 F198 I208 Y209 A210 T211	I146-I187 HydrophobicContact CB-CG1 4.35Å; I146-I187 HydrophobicContact CB-CG2 4.16Å; I146-I187 HydrophobicContact CD1-CG1 4.41Å; I146-I187 HydrophobicContact CG2-CG2 4.23Å; I146-I187 CarbonylContact O-C 3.55Å; I146-I187 VanDerWaalsContact O-CA 3.31Å; I146-I187 WeakPolarHBondContact O-CA 3.31Å; F169-I187 HydrophobicContact CE1-CD1 4.48Å; F169-I187 HydrophobicContact CZ-CD1 4.11Å; F169-I187 HydrophobicContact CZ-CG2 4.35Å; L173-I187 HydrophobicContact CD1-CD1 3.88Å; L173-I187 HydrophobicContact CD2-CD1 3.78Å; L185-I187 HydrophobicContact CD1-CG1 4.37Å; L185-I187 HydrophobicContact CD2-CD1 3.89Å; L185-I187 HydrophobicContact CD2-CG1 4.16Å; L185-I187 HydrophobicContact CG-CD1 4.19Å; L185-I187 HydrophobicContact CG-CG1 3.9Å; I187-I189 HydrophobicContact CG2-CD1 4.32Å; I187-I189 HydrophobicContact CG2-CG1 3.96Å; I187-F198 HydrophobicContact CB-CZ 4.31Å; I187-F198 HydrophobicContact CD1-CE1 4.35Å; I187-F198 HydrophobicContact CD1-CZ 4.4Å; I187-F198 HydrophobicContact CG2-CZ 3.93Å; I187-I208 HydrophobicContact CD1-CG2 3.65Å; I187-I208 HydrophobicContact CG1-CG2 4.09Å; I187-Y209 PolarHBondContact N-O 3.14Å; I187-A210 HydrophobicContact CB-CB 4.22Å; I187-A210 CarbonylContact O-C 3.48Å; I187-A210 WeakPolarHBondContact O-CA 3.49Å; I187-T211 PolarHBondContact O-N 3.45Å
188	Y	98.9	Very high	98.5	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.8	173.1	-68	-0.9	0	0	0	109.3	F145 I146 Y147 F148 V186 T211 Y238 W242 Q259	F145-Y188 HydrophobicContact CE2-CD1 4.23Å; F145-Y188 AromaticContact CE2-CD2 3.61Å; F145-Y188 HydrophobicContact CE2-CD2 3.61Å; F145-Y188 HydrophobicContact CE2-CE1 4.46Å; F145-Y188 AromaticContact CE2-CE2 3.91Å; F145-Y188 HydrophobicContact CE2-CE2 3.91Å; F145-Y188 AromaticContact CE2-CG 3.78Å; F145-Y188 HydrophobicContact CE2-CG 3.78Å; F145-Y188 AromaticContact CZ-CD2 3.73Å; F145-Y188 HydrophobicContact CZ-CD2 3.73Å; F145-Y188 HydrophobicContact CZ-CE2 4.21Å; F145-Y188 HydrophobicContact CZ-CG 4.18Å; I146-Y188 PolarHBondContact O-N 2.9Å; Y147-Y188 WeakPolarHBondContact CA-O 3.39Å; F148-Y188 PolarHBondContact N-O 3Å; V186-Y188 HydrophobicContact CG1-CD1 3.87Å; V186-Y188 HydrophobicContact CG1-CE1 3.37Å; Y188-T211 WeakPolarHBondContact CA-O 3.36Å; Y188-T211 WeakPolarHBondContact CD1-OG1 3.29Å; Y188-T211 HydrophobicContact CE1-CG2 4.23Å; Y188-T211 VanDerWaalsContact CE1-OG1 3.27Å; Y188-T211 WeakPolarHBondContact CE1-OG1 3.48Å; Y188-Y238 WeakPolarHBondContact CB-OH 3.4Å; Y188-W242 HydrophobicContact CD2-CB 4.49Å; Y188-W242 AromaticContact CD2-CD2 3.67Å; Y188-W242 HydrophobicContact CD2-CD2 3.67Å; Y188-W242 AromaticContact CD2-CE2 3.98Å; Y188-W242 AromaticContact CD2-CE3 3.97Å; Y188-W242 HydrophobicContact CD2-CE3 3.97Å; Y188-W242 AromaticContact CD2-CG 3.89Å; Y188-W242 HydrophobicContact CD2-CG 3.89Å; Y188-W242 HydrophobicContact CE2-CB 4.37Å; Y188-W242 HydrophobicContact CE2-CD2 4.04Å; Y188-W242 AromaticContact CE2-CE3 4Å; Y188-W242 HydrophobicContact CE2-CE3 4Å; Y188-W242 HydrophobicContact CE2-CG 4.19Å; Y188-Q259 PolarHBondContact OH-OE1 3.21Å
189	I	98.9	Very high	98.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117	178.8	-58.4	-169.3	0	0	0	110.1	F148 I157 F169 I187 A191 M197 F198 T211 T212 A213	F148-I189 HydrophobicContact CB-CG1 4.49Å; F148-I189 HydrophobicContact CD1-CG2 4.14Å; F148-I189 WeakPolarHBondContact O-CA 3.31Å; I157-I189 HydrophobicContact CG2-CG2 4.2Å; F169-I189 HydrophobicContact CE1-CD1 4.16Å; I187-I189 HydrophobicContact CG2-CD1 4.32Å; I187-I189 HydrophobicContact CG2-CG1 3.96Å; I189-A191 HydrophobicContact CG2-CB 4.26Å; I189-M197 HydrophobicContact CD1-CB 4.23Å; I189-M197 HydrophobicContact CD1-CG 4.38Å; I189-F198 HydrophobicContact CD1-CE2 3.52Å; I189-F198 HydrophobicContact CD1-CZ 3.47Å; I189-F198 VanDerWaalsContact CD1-CZ 3.47Å; I189-F198 HydrophobicContact CG1-CE2 3.98Å; I189-F198 HydrophobicContact CG1-CZ 4.13Å; I189-T211 PolarHBondContact N-O 3.24Å; I189-T212 HydrophobicContact CB-CG2 4.4Å; I189-T212 WeakPolarHBondContact O-CA 2.83Å; I189-A213 PolarHBondContact O-N 3.37Å
190	E	98.9	Very high	98.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.7	163.7	176.7	71.7	-94.4	0	0	109.1	Y147 F148 T149 D150 A213 S220 D236 Y238 S239	Y147-E190 HydrophobicContact CE2-CB 4.31Å; F148-E190 PolarHBondContact O-N 2.89Å; T149-E190 WeakPolarHBondContact CA-O 3.18Å; T149-E190 WeakPolarHBondContact OG1-CG 3.24Å; D150-E190 PolarHBondContact N-O 3.03Å; E190-A213 WeakPolarHBondContact OE1-CB 3.39Å; E190-S220 WeakPolarHBondContact OE1-CB 3.44Å; E190-S220 PolarHBondContact OE1-OG 2.9Å; E190-S220 VanDerWaalsContact OE1-OG 3.1Å; E190-D236 HydrophobicContact CG-CB 3.58Å; E190-D236 WeakPolarHBondContact OE2-CB 3.38Å; E190-Y238 HydrophobicContact CB-CD1 4.21Å; E190-Y238 WeakPolarHBondContact OE2-CB 3.29Å; E190-Y238 WeakPolarHBondContact OE2-CD1 3.39Å; E190-S239 WeakPolarHBondContact CB-OG 3.21Å; E190-S239 WeakPolarHBondContact CG-OG 3.49Å; E190-S239 PolarHBondContact OE2-N 2.85Å; E190-S239 PolarHBondContact OE2-OG 3.18Å
191	A	98.7	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-171.3	159.7	171.2	0	0	0	0	0	110.9	D150 I157 I189 S194	D150-A191 VanDerWaalsContact O-CA 3.25Å; D150-A191 WeakPolarHBondContact O-CA 3.49Å; D150-A191 WeakPolarHBondContact O-CB 3.36Å; I157-A191 HydrophobicContact CG2-CB 4.08Å; I189-A191 HydrophobicContact CG2-CB 4.26Å; A191-S194 WeakPolarHBondContact O-CB 3.47Å; A191-S194 PolarHBondContact O-N 3.01Å; A191-S194 PolarHBondContact O-OG 3.34Å
192	N	98.2	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	138.7	164.1	-54	-47.3	0	0	0	109.7	G152 S194 C219 S220 S312	G152-N192 CarbonylContact C-O 3.47Å; G152-N192 WeakPolarHBondContact CA-O 3.22Å; N192-S194 PolarHBondContact O-N 2.71Å; N192-C219 WeakPolarHBondContact OD1-CA 3.06Å; N192-C219 WeakPolarHBondContact OD1-CB 3.39Å; N192-S220 PolarHBondContact OD1-N 2.89Å; N192-S312 WeakPolarHBondContact OD1-CB 3.4Å
193	E	98.1	Very high	98.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	23.4	-178.9	-62.8	81.2	-155.5	0	0	114.3	P154 G195 S196 N215 S216 E218 R313	P154-E193 HydrophobicContact CG-CB 4.24Å; P154-E193 HydrophobicContact CG-CG 3.97Å; E193-G195 PolarHBondContact O-N 3.28Å; E193-S196 WeakPolarHBondContact O-CB 3.39Å; E193-S196 PolarHBondContact O-N 3.33Å; E193-S196 PolarHBondContact O-OG 3.44Å; E193-N215 CarbonylContact C-O 3.35Å; E193-N215 VanDerWaalsContact CA-O 3.23Å; E193-N215 WeakPolarHBondContact CA-O 3.26Å; E193-S216 WeakPolarHBondContact CG-O 3.29Å; E193-E218 PolarHBondContact N-O 2.84Å; E193-R313 IonicContact OE1-CZ 3.6Å; E193-R313 IonicContact OE1-NH1 2.72Å; E193-R313 PolarHBondContact OE1-NH1 3.07Å; E193-R313 IonicContact OE1-NH2 3.31Å; E193-R313 PolarHBondContact OE1-NH2 3.32Å; E193-R313 IonicContact OE2-CZ 3.75Å; E193-R313 IonicContact OE2-NH2 2.67Å; E193-R313 PolarHBondContact OE2-NH2 3.45Å
194	S	98.7	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-54.5	-29.4	-175.4	41.2	0	0	0	0	113.7	A191 N192 S196 M197 T212 A213 A214	A191-S194 WeakPolarHBondContact O-CB 3.47Å; A191-S194 PolarHBondContact O-N 3.01Å; A191-S194 PolarHBondContact O-OG 3.34Å; N192-S194 PolarHBondContact O-N 2.71Å; S194-S196 PolarHBondContact O-N 2.53Å; S194-M197 WeakPolarHBondContact O-CB 3.41Å; S194-M197 PolarHBondContact O-N 2.89Å; S194-M197 VanDerWaalsContact O-N 3.12Å; S194-T212 WeakPolarHBondContact OG-CB 3.23Å; S194-A213 PolarHBondContact OG-N 2.99Å; S194-A214 PolarHBondContact OG-N 3.42Å
195	G	98.6	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-59	-26	173.4	0	0	0	0	0	114.3	E193 M197 F198 Q199 A214 N215 Y275	E193-G195 PolarHBondContact O-N 3.28Å; G195-M197 PolarHBondContact O-N 3.19Å; G195-F198 PolarHBondContact O-N 3.41Å; G195-Q199 WeakPolarHBondContact O-CB 3.36Å; G195-Q199 PolarHBondContact O-N 3.25Å; G195-A214 PolarHBondContact N-O 2.85Å; G195-A214 VanDerWaalsContact N-O 3.16Å; G195-N215 PolarHBondContact N-O 3.46Å; G195-Y275 VanDerWaalsContact CA-OH 3.29Å; G195-Y275 WeakPolarHBondContact CA-OH 3.5Å; G195-Y275 PolarHBondContact O-OH 2.84Å
196	S	98.1	Very high	98.3	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.042	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-66.3	-18.2	177.4	70.3	0	0	0	0	113.4	G155 E193 S194 F198	G155-S196 PolarHBondContact N-OG 3.07Å; E193-S196 WeakPolarHBondContact O-CB 3.39Å; E193-S196 PolarHBondContact O-N 3.33Å; E193-S196 PolarHBondContact O-OG 3.44Å; S194-S196 PolarHBondContact O-N 2.53Å; S196-F198 PolarHBondContact O-N 3.06Å
197	M	98.7	Very high	98.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-72.2	-12.2	175.2	-62.3	-57.8	-70.7	0	0	113.7	I157 A166 F169 I189 S194 G195 I201	I157-M197 HydrophobicContact CD1-CE 4.18Å; I157-M197 HydrophobicContact CG1-CE 4.04Å; I157-M197 HydrophobicContact CG2-CE 4.36Å; I157-M197 HydrophobicContact CG2-CG 3.84Å; I157-M197 HydrophobicContact CG2-SD 4.02Å; A166-M197 HydrophobicContact CB-CE 4.1Å; A166-M197 HydrophobicContact CB-SD 3.82Å; F169-M197 HydrophobicContact CB-CE 4.17Å; F169-M197 HydrophobicContact CD1-CE 4.07Å; F169-M197 HydrophobicContact CG-CE 4.47Å; I189-M197 HydrophobicContact CD1-CB 4.23Å; I189-M197 HydrophobicContact CD1-CG 4.38Å; S194-M197 WeakPolarHBondContact O-CB 3.41Å; S194-M197 PolarHBondContact O-N 2.89Å; S194-M197 VanDerWaalsContact O-N 3.12Å; G195-M197 PolarHBondContact O-N 3.19Å; M197-I201 VanDerWaalsContact O-CD1 3.27Å; M197-I201 WeakPolarHBondContact O-CD1 3.39Å
198	F	98.7	Very high	98.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-25.5	-175.3	-56.9	-60.6	0	0	0	114.6	F169 L173 I187 I189 G195 S196 Q200 I201 L202 A210 T212 Y275	F169-F198 HydrophobicContact CD1-CE1 4.31Å; F169-F198 AromaticContact CE1-CE1 3.75Å; F169-F198 HydrophobicContact CE1-CE1 3.75Å; F169-F198 AromaticContact CE1-CZ 3.87Å; F169-F198 HydrophobicContact CE1-CZ 3.87Å; L173-F198 HydrophobicContact CD1-CE1 4.34Å; I187-F198 HydrophobicContact CB-CZ 4.31Å; I187-F198 HydrophobicContact CD1-CE1 4.35Å; I187-F198 HydrophobicContact CD1-CZ 4.4Å; I187-F198 HydrophobicContact CG2-CZ 3.93Å; I189-F198 HydrophobicContact CD1-CE2 3.52Å; I189-F198 HydrophobicContact CD1-CZ 3.47Å; I189-F198 VanDerWaalsContact CD1-CZ 3.47Å; I189-F198 HydrophobicContact CG1-CE2 3.98Å; I189-F198 HydrophobicContact CG1-CZ 4.13Å; G195-F198 PolarHBondContact O-N 3.41Å; S196-F198 PolarHBondContact O-N 3.06Å; F198-Q200 PolarHBondContact O-N 2.75Å; F198-I201 WeakPolarHBondContact O-CG1 3.27Å; F198-I201 PolarHBondContact O-N 3.07Å; F198-L202 HydrophobicContact CB-CB 3.98Å; F198-L202 HydrophobicContact CB-CD2 4.32Å; F198-L202 HydrophobicContact CD1-CB 4.01Å; F198-L202 HydrophobicContact CD1-CD2 3.69Å; F198-L202 HydrophobicContact CD1-CG 4.31Å; F198-L202 HydrophobicContact CE1-CD2 4.25Å; F198-L202 HydrophobicContact CG-CB 4.43Å; F198-L202 HydrophobicContact CG-CD2 4.14Å; F198-L202 PolarHBondContact O-N 2.98Å; F198-A210 HydrophobicContact CD1-CB 4.29Å; F198-A210 HydrophobicContact CD2-CB 3.82Å; F198-A210 HydrophobicContact CE1-CB 4.1Å; F198-A210 HydrophobicContact CE2-CB 3.61Å; F198-A210 HydrophobicContact CG-CB 4.14Å; F198-A210 HydrophobicContact CZ-CB 3.74Å; F198-T212 HydrophobicContact CD2-CG2 3.62Å; F198-T212 HydrophobicContact CE2-CG2 3.75Å; F198-Y275 HydrophobicContact CB-CD1 4.05Å; F198-Y275 HydrophobicContact CB-CD2 3.66Å; F198-Y275 HydrophobicContact CB-CE2 4.28Å; F198-Y275 HydrophobicContact CB-CG 3.52Å; F198-Y275 AromaticContact CD2-CD2 3.94Å; F198-Y275 HydrophobicContact CD2-CD2 3.94Å; F198-Y275 HydrophobicContact CD2-CE2 4.49Å; F198-Y275 HydrophobicContact CG-CD2 4.22Å; F198-Y275 HydrophobicContact CG-CG 4.4Å
199	Q	97.8	Very high	98.3	Very high	68 Å²	68	26.5 Å²	26.5	32%	0.318	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	124.2	-177	178.3	169.7	-4.9	0	0	111.1	G195 I201 S216 Y275	G195-Q199 WeakPolarHBondContact O-CB 3.36Å; G195-Q199 PolarHBondContact O-N 3.25Å; Q199-I201 PolarHBondContact O-N 2.75Å; Q199-S216 PolarHBondContact OE1-OG 3.18Å; Q199-Y275 HydrophobicContact CB-CE1 3.87Å
200	Q	96.7	Very high	98.3	Very high	148 Å²	148	26.4 Å²	26.4	69%	0.692	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	1.3	-178.7	-59.1	173.2	62.7	0	0	115.8	F198 I373	F198-Q200 PolarHBondContact O-N 2.75Å; Q200-I373 HydrophobicContact CB-CB 4.37Å; Q200-I373 HydrophobicContact CB-CG1 4.12Å; Q200-I373 HydrophobicContact CB-CG2 4.4Å
201	I	97.4	Very high	98.3	Very high	28 Å²	28	26.6 Å²	26.6	14%	0.144	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-23.9	-176.9	60.5	171.2	0	0	0	115.3	A166 M197 F198 Q199 P203 I373 L377	A166-I201 HydrophobicContact CB-CD1 3.82Å; M197-I201 VanDerWaalsContact O-CD1 3.27Å; M197-I201 WeakPolarHBondContact O-CD1 3.39Å; F198-I201 WeakPolarHBondContact O-CG1 3.27Å; F198-I201 PolarHBondContact O-N 3.07Å; Q199-I201 PolarHBondContact O-N 2.75Å; I201-P203 WeakPolarHBondContact O-CD 3.11Å; I201-I373 HydrophobicContact CG2-CD1 4.44Å; I201-I373 HydrophobicContact CG2-CG1 3.46Å; I201-I373 VanDerWaalsContact CG2-CG1 3.46Å; I201-I373 HydrophobicContact CG2-CG2 4.24Å; I201-L377 HydrophobicContact CD1-CD1 4.1Å; I201-L377 HydrophobicContact CG2-CD1 3.77Å
202	L	98.4	Very high	98.3	Very high	17 Å²	17	26.6 Å²	26.6	9%	0.089	15%	0.146	C	C	.	.	S	Bend	trans	-88.1	104.7	175.6	-177.6	63.2	0	0	0	110.3	M170 L173 F198 I208 A210	M170-L202 HydrophobicContact CE-CD1 3.81Å; M170-L202 HydrophobicContact SD-CB 4.34Å; M170-L202 HydrophobicContact SD-CD1 3.72Å; L173-L202 HydrophobicContact CD1-CD1 4.41Å; F198-L202 HydrophobicContact CB-CB 3.98Å; F198-L202 HydrophobicContact CB-CD2 4.32Å; F198-L202 HydrophobicContact CD1-CB 4.01Å; F198-L202 HydrophobicContact CD1-CD2 3.69Å; F198-L202 HydrophobicContact CD1-CG 4.31Å; F198-L202 HydrophobicContact CE1-CD2 4.25Å; F198-L202 HydrophobicContact CG-CB 4.43Å; F198-L202 HydrophobicContact CG-CD2 4.14Å; F198-L202 PolarHBondContact O-N 2.98Å; L202-I208 HydrophobicContact CD1-CB 4.14Å; L202-I208 HydrophobicContact CD1-CD1 4Å; L202-I208 HydrophobicContact CD1-CG2 4.13Å; L202-I208 HydrophobicContact CD2-CG2 4.06Å; L202-A210 HydrophobicContact CD2-CB 3.87Å
203	P	97.4	Very high	98.3	Very high	47 Å²	47	26.6 Å²	26.6	31%	0.305	15%	0.146	S	C	.	.			trans	-74.5	155.5	178.9	33.8	-38.9	0	0	0	111.7	I201 N205 L206	I201-P203 WeakPolarHBondContact O-CD 3.11Å; P203-N205 VanDerWaalsContact C-N 3.29Å; P203-N205 WeakPolarHBondContact CB-OD1 3.27Å; P203-N205 PolarHBondContact O-N 2.85Å; P203-L206 HydrophobicContact CG-CD1 3.5Å; P203-L206 HydrophobicContact CG-CG 3.76Å
204	S	97.7	Very high	98.3	Very high	70 Å²	70	26.5 Å²	26.5	49%	0.49	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.6	-176.5	56.8	0	0	0	0	114.9	D277	S204-D277 VanDerWaalsContact O-CB 3.28Å; S204-D277 WeakPolarHBondContact O-CB 3.44Å
205	N	97.8	Very high	98.3	Very high	111 Å²	111	27.9 Å²	27.9	59%	0.594	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	9	-175.6	69.5	-27.4	0	0	0	114.3	P203	P203-N205 VanDerWaalsContact C-N 3.29Å; P203-N205 WeakPolarHBondContact CB-OD1 3.27Å; P203-N205 PolarHBondContact O-N 2.85Å
206	L	98.4	Very high	98.2	Very high	14 Å²	14	28.8 Å²	28.8	7%	0.073	16%	0.16	C	C	.	.	S	Bend	trans	-95.1	1.5	179.5	-63.8	176.9	0	0	0	114	M170 K174 H177 Y182 P203 I208	M170-L206 HydrophobicContact CE-CD1 3.48Å; M170-L206 VanDerWaalsContact CE-CD1 3.48Å; K174-L206 HydrophobicContact CG-CD1 4.21Å; H177-L206 HydrophobicContact CB-CD2 3.91Å; H177-L206 VanDerWaalsContact CD2-CD2 3.49Å; H177-L206 WeakPolarHBondContact CD2-CD2 3.3Å; H177-L206 PolarHBondContact ND1-O 2.6Å; Y182-L206 VanDerWaalsContact CE2-O 3.31Å; Y182-L206 WeakPolarHBondContact CE2-O 3.13Å; Y182-L206 PolarHBondContact OH-O 2.9Å; P203-L206 HydrophobicContact CG-CD1 3.5Å; P203-L206 HydrophobicContact CG-CG 3.76Å; L206-I208 HydrophobicContact CB-CD1 3.8Å; L206-I208 HydrophobicContact CB-CG1 3.79Å; L206-I208 HydrophobicContact CD1-CD1 4.16Å; L206-I208 WeakPolarHBondContact O-CG1 3.33Å; L206-I208 PolarHBondContact O-N 2.72Å
207	S	98.4	Very high	98.2	Very high	41 Å²	41	33.4 Å²	33.4	29%	0.287	19%	0.188	S	C	.	.	S	Bend	trans	55.2	41.9	-172.4	-57.8	0	0	0	0	112.2	L185	L185-S207 PolarHBondContact N-O 2.79Å
208	I	98.8	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.3	177	-53.9	179.7	0	0	0	108.4	L173 Y182 L185 I187 L202 L206 G276 D277	L173-I208 HydrophobicContact CB-CD1 3.91Å; L173-I208 HydrophobicContact CD1-CD1 4.15Å; L173-I208 HydrophobicContact CD2-CD1 4.3Å; L173-I208 HydrophobicContact CG-CD1 4.34Å; Y182-I208 HydrophobicContact CE2-CG1 4.4Å; Y182-I208 WeakPolarHBondContact OH-CD1 3.48Å; Y182-I208 VanDerWaalsContact OH-CG1 3.29Å; Y182-I208 WeakPolarHBondContact OH-CG1 3.49Å; L185-I208 HydrophobicContact CB-CG1 4.16Å; L185-I208 HydrophobicContact CD2-CD1 4.02Å; L185-I208 HydrophobicContact CD2-CG1 4.01Å; L185-I208 HydrophobicContact CD2-CG2 4.25Å; L185-I208 HydrophobicContact CG-CG1 4.5Å; L185-I208 HydrophobicContact CG-CG2 4.34Å; L185-I208 CarbonylContact O-C 3.08Å; L185-I208 VanDerWaalsContact O-CA 3.27Å; L185-I208 WeakPolarHBondContact O-CA 3.45Å; I187-I208 HydrophobicContact CD1-CG2 3.65Å; I187-I208 HydrophobicContact CG1-CG2 4.09Å; L202-I208 HydrophobicContact CD1-CB 4.14Å; L202-I208 HydrophobicContact CD1-CD1 4Å; L202-I208 HydrophobicContact CD1-CG2 4.13Å; L202-I208 HydrophobicContact CD2-CG2 4.06Å; L206-I208 HydrophobicContact CB-CD1 3.8Å; L206-I208 HydrophobicContact CB-CG1 3.79Å; L206-I208 HydrophobicContact CD1-CD1 4.16Å; L206-I208 WeakPolarHBondContact O-CG1 3.33Å; L206-I208 PolarHBondContact O-N 2.72Å; I208-G276 CarbonylContact O-C 3.43Å; I208-G276 WeakPolarHBondContact O-CA 3.3Å; I208-D277 PolarHBondContact O-N 3.29Å
209	Y	98.8	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.7	170.6	-179.8	-84.4	0	0	0	108.6	L185 V186 I187 T211 L256 R274 M280	L185-Y209 PolarHBondContact O-N 3.42Å; V186-Y209 CarbonylContact C-O 3.45Å; V186-Y209 VanDerWaalsContact CA-O 3.25Å; V186-Y209 WeakPolarHBondContact CA-O 3.39Å; V186-Y209 HydrophobicContact CG1-CD1 4.43Å; V186-Y209 HydrophobicContact CG2-CD1 4.46Å; I187-Y209 PolarHBondContact N-O 3.14Å; Y209-T211 HydrophobicContact CD1-CG2 4.3Å; Y209-T211 HydrophobicContact CE1-CG2 3.51Å; Y209-L256 HydrophobicContact CD1-CD1 4.1Å; Y209-L256 HydrophobicContact CE1-CB 4.12Å; Y209-L256 HydrophobicContact CE1-CD1 4.34Å; Y209-L256 HydrophobicContact CE2-CB 4.42Å; Y209-L256 HydrophobicContact CG-CD1 4.19Å; Y209-L256 PolarHBondContact OH-O 3.29Å; Y209-R274 HydrophobicContact CE1-CG 4.45Å; Y209-R274 VanDerWaalsContact CE2-CD 3.45Å; Y209-R274 HydrophobicContact CE2-CG 3.97Å; Y209-R274 WeakPolarHBondContact OH-CD 3.39Å; Y209-M280 HydrophobicContact CD2-CB 4.01Å; Y209-M280 HydrophobicContact CG-CB 4.38Å
210	A	98.9	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.1	-179.4	0	0	0	0	0	111.6	I187 F198 L202 R274 Y275	I187-A210 HydrophobicContact CB-CB 4.22Å; I187-A210 CarbonylContact O-C 3.48Å; I187-A210 WeakPolarHBondContact O-CA 3.49Å; F198-A210 HydrophobicContact CD1-CB 4.29Å; F198-A210 HydrophobicContact CD2-CB 3.82Å; F198-A210 HydrophobicContact CE1-CB 4.1Å; F198-A210 HydrophobicContact CE2-CB 3.61Å; F198-A210 HydrophobicContact CG-CB 4.14Å; F198-A210 HydrophobicContact CZ-CB 3.74Å; L202-A210 HydrophobicContact CD2-CB 3.87Å; A210-R274 CarbonylContact O-C 3.54Å; A210-R274 VanDerWaalsContact O-CA 3.27Å; A210-R274 WeakPolarHBondContact O-CA 3.39Å; A210-Y275 PolarHBondContact N-O 3.39Å; A210-Y275 VanDerWaalsContact N-O 3.1Å; A210-Y275 PolarHBondContact O-N 3.38Å
211	T	98.9	Very high	98.1	Very high	4 Å²	4	29 Å²	29	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.9	166.1	68.8	0	0	0	0	110.3	I187 Y188 I189 Y209 Y238 Y260 Q273 R274	I187-T211 PolarHBondContact O-N 3.45Å; Y188-T211 WeakPolarHBondContact CA-O 3.36Å; Y188-T211 WeakPolarHBondContact CD1-OG1 3.29Å; Y188-T211 HydrophobicContact CE1-CG2 4.23Å; Y188-T211 VanDerWaalsContact CE1-OG1 3.27Å; Y188-T211 WeakPolarHBondContact CE1-OG1 3.48Å; I189-T211 PolarHBondContact N-O 3.24Å; Y209-T211 HydrophobicContact CD1-CG2 4.3Å; Y209-T211 HydrophobicContact CE1-CG2 3.51Å; T211-Y238 PolarHBondContact O-OH 3.02Å; T211-Y238 PolarHBondContact OG1-OH 3.43Å; T211-Y260 HydrophobicContact CG2-CD2 3.88Å; T211-Q273 VanDerWaalsContact CA-O 3.22Å; T211-Q273 WeakPolarHBondContact CA-O 3.46Å; T211-Q273 WeakPolarHBondContact CB-O 3.46Å; T211-R274 HydrophobicContact CG2-CB 4.28Å; T211-R274 HydrophobicContact CG2-CG 4.24Å
212	T	98.9	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.3	-173.8	63.4	0	0	0	0	110.4	I189 S194 F198 A214 V272 Q273 Y275	I189-T212 HydrophobicContact CB-CG2 4.4Å; I189-T212 WeakPolarHBondContact O-CA 2.83Å; S194-T212 WeakPolarHBondContact OG-CB 3.23Å; F198-T212 HydrophobicContact CD2-CG2 3.62Å; F198-T212 HydrophobicContact CE2-CG2 3.75Å; T212-A214 VanDerWaalsContact C-N 3.25Å; T212-A214 PolarHBondContact O-N 3.03Å; T212-A214 PolarHBondContact OG1-O 3.5Å; T212-V272 VanDerWaalsContact O-CA 3.29Å; T212-V272 WeakPolarHBondContact O-CA 3.34Å; T212-V272 WeakPolarHBondContact O-CG1 3.34Å; T212-Q273 PolarHBondContact N-O 2.73Å; T212-Q273 VanDerWaalsContact N-O 3.11Å; T212-Q273 PolarHBondContact O-N 2.69Å; T212-Q273 WeakPolarHBondContact OG1-CB 3.29Å; T212-Y275 HydrophobicContact CG2-CD2 4.24Å; T212-Y275 HydrophobicContact CG2-CE2 3.99Å
213	A	98.9	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-62.8	-31.4	179.7	0	0	0	0	0	114.1	I189 E190 S194 Y238 S270	I189-A213 PolarHBondContact O-N 3.37Å; E190-A213 WeakPolarHBondContact OE1-CB 3.39Å; S194-A213 PolarHBondContact OG-N 2.99Å; A213-Y238 VanDerWaalsContact CA-CG 3.45Å; A213-Y238 VanDerWaalsContact CB-CB 3.49Å; A213-Y238 HydrophobicContact CB-CD1 3.55Å; A213-Y238 HydrophobicContact CB-CD2 4.31Å; A213-Y238 HydrophobicContact CB-CE1 4.33Å; A213-Y238 HydrophobicContact CB-CG 3.53Å; A213-S270 WeakPolarHBondContact O-CB 3.34Å; A213-S270 PolarHBondContact O-OG 2.9Å
214	A	98.7	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-135.7	164.3	-175.8	0	0	0	0	0	111.4	S194 G195 T212 E218 H271	S194-A214 PolarHBondContact OG-N 3.42Å; G195-A214 PolarHBondContact N-O 2.85Å; G195-A214 VanDerWaalsContact N-O 3.16Å; T212-A214 VanDerWaalsContact C-N 3.25Å; T212-A214 PolarHBondContact O-N 3.03Å; T212-A214 PolarHBondContact OG1-O 3.5Å; A214-E218 HydrophobicContact CB-CG 3.81Å; A214-H271 CarbonylContact C-O 3.38Å
215	N	98.4	Very high	98.3	Very high	28 Å²	28	21.4 Å²	21.4	15%	0.15	12%	0.119	C	C	.	.			trans	-71.5	-173.1	165.1	71.3	43	0	0	0	111.1	E193 G195 T217 E218 H271 Q273	E193-N215 CarbonylContact C-O 3.35Å; E193-N215 VanDerWaalsContact CA-O 3.23Å; E193-N215 WeakPolarHBondContact CA-O 3.26Å; G195-N215 PolarHBondContact N-O 3.46Å; N215-T217 VanDerWaalsContact C-N 3.26Å; N215-T217 PolarHBondContact O-N 3.49Å; N215-T217 WeakPolarHBondContact OD1-CA 3.44Å; N215-T217 PolarHBondContact OD1-N 3Å; N215-T217 PolarHBondContact OD1-OG1 2.86Å; N215-E218 VanDerWaalsContact CG-OE1 3.3Å; N215-E218 PolarHBondContact N-OE1 2.68Å; N215-E218 VanDerWaalsContact N-OE1 3.09Å; N215-E218 PolarHBondContact ND2-OE1 2.87Å; N215-E218 VanDerWaalsContact ND2-OE1 3.09Å; N215-E218 PolarHBondContact ND2-OE2 3.07Å; N215-E218 WeakPolarHBondContact OD1-CG 3.1Å; N215-E218 PolarHBondContact OD1-N 3.1Å; N215-H271 HydrophobicContact CB-CB 4.45Å; N215-H271 PolarHBondContact N-O 3.11Å; N215-Q273 HydrophobicContact CB-CG 3.87Å
216	S	97.3	Very high	98.3	Very high	20 Å²	20	17.2 Å²	17.2	14%	0.14	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1	-176.1	52.9	0	0	0	0	115.2	E193 Q199	E193-S216 WeakPolarHBondContact CG-O 3.29Å; Q199-S216 PolarHBondContact OE1-OG 3.18Å
217	T	96.3	Very high	98.3	Very high	103 Å²	103	16.6 Å²	16.6	63%	0.632	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.1	5.9	-167.4	58.2	0	0	0	0	114.4	N215	N215-T217 VanDerWaalsContact C-N 3.26Å; N215-T217 PolarHBondContact O-N 3.49Å; N215-T217 WeakPolarHBondContact OD1-CA 3.44Å; N215-T217 PolarHBondContact OD1-N 3Å; N215-T217 PolarHBondContact OD1-OG1 2.86Å
218	E	97.1	Very high	98.2	Very high	39 Å²	39	19.3 Å²	19.3	18%	0.182	12%	0.115	C	C	.	.	S	Bend	trans	-138.3	161.5	-175.4	75.1	-165.5	174.2	0	0	113.1	E193 A214 N215 H271	E193-E218 PolarHBondContact N-O 2.84Å; A214-E218 HydrophobicContact CB-CG 3.81Å; N215-E218 VanDerWaalsContact CG-OE1 3.3Å; N215-E218 PolarHBondContact N-OE1 2.68Å; N215-E218 VanDerWaalsContact N-OE1 3.09Å; N215-E218 PolarHBondContact ND2-OE1 2.87Å; N215-E218 VanDerWaalsContact ND2-OE1 3.09Å; N215-E218 PolarHBondContact ND2-OE2 3.07Å; N215-E218 WeakPolarHBondContact OD1-CG 3.1Å; N215-E218 PolarHBondContact OD1-N 3.1Å; E218-H271 WeakPolarHBondContact OE1-CA 3.49Å; E218-H271 VanDerWaalsContact OE1-CB 3.23Å; E218-H271 WeakPolarHBondContact OE1-CB 3.21Å; E218-H271 IonicContact OE1-CG 2.8Å; E218-H271 PolarHBondContact OE1-N 2.85Å; E218-H271 IonicContact OE1-ND1 3.88Å; E218-H271 PolarHBondContact OE1-ND1 3.29Å; E218-H271 IonicContact OE2-CE1 3.39Å; E218-H271 IonicContact OE2-CG 3.55Å; E218-H271 IonicContact OE2-ND1 3.29Å; E218-H271 PolarHBondContact OE2-ND1 3.49Å
219	C	97.3	Very high	98	Very high	20 Å²	20	22 Å²	22	14%	0.135	13%	0.132	C	C	.	.			trans	-66.6	155	173	-61.6	0	0	0	0	112.4	N192 S270 R313	N192-C219 WeakPolarHBondContact OD1-CA 3.06Å; N192-C219 WeakPolarHBondContact OD1-CB 3.39Å; C219-S270 WeakPolarHBondContact O-CB 3.37Å; C219-R313 VanDerWaalsContact SG-CZ 3.51Å; C219-R313 PolarHBondContact SG-NH1 3.01Å
220	S	98.2	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.			trans	-85.3	175	152	72.2	0	0	0	0	110.6	E190 N192 S312	E190-S220 WeakPolarHBondContact OE1-CB 3.44Å; E190-S220 PolarHBondContact OE1-OG 2.9Å; E190-S220 VanDerWaalsContact OE1-OG 3.1Å; N192-S220 PolarHBondContact OD1-N 2.89Å; S220-S312 VanDerWaalsContact C-OG 3.3Å; S220-S312 PolarHBondContact O-N 3.47Å; S220-S312 VanDerWaalsContact O-N 3.15Å; S220-S312 PolarHBondContact O-OG 2.94Å; S220-S312 PolarHBondContact OG-OG 3.03Å; S220-S312 VanDerWaalsContact OG-OG 3.1Å
221	Y	98.7	Very high	98	Very high	68 Å²	68	22.7 Å²	22.7	27%	0.267	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.4	-176.7	-75	-102.6	0	0	0	110.6	L237 L269 A311	Y221-L237 VanDerWaalsContact O-CB 3.23Å; Y221-L237 WeakPolarHBondContact O-CB 3.28Å; Y221-L237 PolarHBondContact O-N 3.34Å; Y221-L269 HydrophobicContact CD1-CB 3.9Å; Y221-L269 HydrophobicContact CD1-CD1 3.71Å; Y221-L269 HydrophobicContact CD1-CG 4.42Å; Y221-L269 HydrophobicContact CD2-CB 3.58Å; Y221-L269 HydrophobicContact CE1-CB 4.15Å; Y221-L269 HydrophobicContact CE1-CD1 4.27Å; Y221-L269 HydrophobicContact CE2-CB 3.87Å; Y221-L269 WeakPolarHBondContact CE2-O 3.38Å; Y221-L269 HydrophobicContact CG-CB 3.61Å; Y221-L269 HydrophobicContact CG-CD1 4Å; Y221-L269 HydrophobicContact CG-CG 4.47Å; Y221-A311 HydrophobicContact CD1-CB 4.11Å; Y221-A311 HydrophobicContact CE1-CB 3.72Å
222	S	98.7	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	159.3	170.8	-47.8	0	0	0	0	111	R52 A235 D236 S309 I310 I315	R52-S222 VanDerWaalsContact CD-CB 3.47Å; R52-S222 WeakPolarHBondContact CD-OG 3.47Å; R52-S222 PolarHBondContact NE-OG 3.31Å; S222-A235 WeakPolarHBondContact CA-O 3.23Å; S222-A235 WeakPolarHBondContact CB-O 3.5Å; S222-D236 WeakPolarHBondContact CB-OD1 3.44Å; S222-D236 PolarHBondContact OG-OD1 3.01Å; S222-S309 CarbonylContact O-C 3.45Å; S222-S309 WeakPolarHBondContact O-CA 3.35Å; S222-S309 VanDerWaalsContact O-CB 3.22Å; S222-S309 WeakPolarHBondContact O-CB 3.18Å; S222-I310 PolarHBondContact N-O 3.05Å; S222-I310 PolarHBondContact O-N 3.3Å; S222-I315 VanDerWaalsContact CB-CD1 3.49Å; S222-I315 WeakPolarHBondContact OG-CD1 2.98Å
223	T	98.7	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	174.9	-176.4	-160.8	0	0	0	0	111.7	C225 C233 L234 A235 L237 P306 R307 S309	T223-C225 VanDerWaalsContact C-N 3.26Å; T223-C225 PolarHBondContact O-N 3.08Å; T223-C233 WeakPolarHBondContact O-CB 3.4Å; T223-L234 PolarHBondContact O-N 3.26Å; T223-A235 HydrophobicContact CG2-CB 4.13Å; T223-A235 PolarHBondContact N-O 3.2Å; T223-A235 PolarHBondContact O-N 3.06Å; T223-L237 HydrophobicContact CG2-CD1 4.38Å; T223-P306 HydrophobicContact CG2-CB 3.98Å; T223-P306 HydrophobicContact CG2-CG 4.47Å; T223-P306 WeakPolarHBondContact OG1-CB 3.48Å; T223-R307 PolarHBondContact OG1-N 2.57Å; T223-R307 VanDerWaalsContact OG1-N 3.15Å; T223-R307 PolarHBondContact OG1-O 3.5Å; T223-S309 PolarHBondContact OG1-OG 3.4Å; T223-S309 VanDerWaalsContact OG1-OG 3.06Å
224	F	98.6	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.			trans	56.2	37.7	-170.6	-53.8	-62.4	0	0	0	113.3	N96 D97 Y98 G226 L234 A235 Y240 M304 P306 R307	N96-F224 WeakPolarHBondContact O-CD2 3.37Å; D97-F224 HydrophobicContact CB-CD1 4.39Å; D97-F224 HydrophobicContact CB-CD2 3.99Å; D97-F224 HydrophobicContact CB-CE1 4.18Å; D97-F224 HydrophobicContact CB-CE2 3.79Å; D97-F224 HydrophobicContact CB-CG 4.31Å; D97-F224 HydrophobicContact CB-CZ 3.88Å; Y98-F224 HydrophobicContact CD1-CB 4.28Å; Y98-F224 AromaticContact CD2-CD1 3.88Å; Y98-F224 HydrophobicContact CD2-CD1 3.88Å; Y98-F224 HydrophobicContact CE1-CB 3.73Å; Y98-F224 HydrophobicContact CE1-CD1 4.42Å; Y98-F224 WeakPolarHBondContact CE1-O 3.21Å; Y98-F224 HydrophobicContact CE2-CB 4.41Å; Y98-F224 AromaticContact CE2-CD1 3.7Å; Y98-F224 HydrophobicContact CE2-CD1 3.7Å; Y98-F224 HydrophobicContact CG-CD1 4.32Å; Y98-F224 AromaticContact CZ-CD1 3.98Å; Y98-F224 WeakPolarHBondContact OH-CA 3.29Å; Y98-F224 PolarHBondContact OH-O 3Å; F224-G226 VanDerWaalsContact C-N 3.25Å; F224-G226 PolarHBondContact O-N 3.12Å; F224-L234 HydrophobicContact CB-CB 3.9Å; F224-L234 HydrophobicContact CB-CD1 4.2Å; F224-L234 HydrophobicContact CB-CG 4.13Å; F224-A235 HydrophobicContact CD2-CB 3.93Å; F224-A235 HydrophobicContact CE2-CB 4.37Å; F224-Y240 HydrophobicContact CD2-CD2 4.42Å; F224-Y240 HydrophobicContact CD2-CE2 4.46Å; F224-Y240 AromaticContact CE2-CD1 3.85Å; F224-Y240 HydrophobicContact CE2-CD1 3.85Å; F224-Y240 AromaticContact CE2-CD2 3.6Å; F224-Y240 HydrophobicContact CE2-CD2 3.6Å; F224-Y240 AromaticContact CE2-CE1 3.76Å; F224-Y240 HydrophobicContact CE2-CE1 3.76Å; F224-Y240 AromaticContact CE2-CE2 3.51Å; F224-Y240 HydrophobicContact CE2-CE2 3.51Å; F224-Y240 AromaticContact CE2-CG 3.76Å; F224-Y240 HydrophobicContact CE2-CG 3.76Å; F224-Y240 AromaticContact CE2-CZ 3.58Å; F224-Y240 HydrophobicContact CZ-CD1 4.13Å; F224-Y240 HydrophobicContact CZ-CD2 4.46Å; F224-Y240 AromaticContact CZ-CE1 3.69Å; F224-Y240 HydrophobicContact CZ-CE1 3.69Å; F224-Y240 HydrophobicContact CZ-CE2 4.07Å; F224-Y240 HydrophobicContact CZ-CG 4.48Å; F224-Y240 AromaticContact CZ-CZ 3.64Å; F224-M304 HydrophobicContact CD1-SD 4.49Å; F224-M304 HydrophobicContact CE1-CB 4.06Å; F224-M304 HydrophobicContact CE1-CG 3.93Å; F224-M304 HydrophobicContact CE1-SD 4.01Å; F224-M304 HydrophobicContact CZ-CB 4.17Å; F224-M304 HydrophobicContact CZ-CG 4.49Å; F224-P306 HydrophobicContact CZ-CB 4.49Å; F224-P306 HydrophobicContact CZ-CG 4.39Å; F224-R307 WeakPolarHBondContact CA-O 3.39Å; F224-R307 PolarHBondContact N-O 3.49Å
225	C	98.6	Very high	97.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	11.8	-176.7	-45.3	0	0	0	0	114.5	Y98 T223 C233 H308 I310 H318 R322	Y98-C225 PolarHBondContact OH-N 3.34Å; T223-C225 VanDerWaalsContact C-N 3.26Å; T223-C225 PolarHBondContact O-N 3.08Å; C225-C233 HydrophobicContact CB-CB 3.99Å; C225-C233 WeakPolarHBondContact CB-SG 3.4Å; C225-C233 WeakPolarHBondContact SG-CB 3.26Å; C225-C233 CovalentContact SG-SG 2.03Å; C225-C233 PolarHBondContact SG-SG 3.44Å; C225-H308 WeakPolarHBondContact CB-O 3.33Å; C225-H308 PolarHBondContact N-O 3.39Å; C225-H308 PolarHBondContact SG-O 3.06Å; C225-I310 HydrophobicContact CB-CG1 3.88Å; C225-H318 WeakPolarHBondContact CB-NE2 3.26Å; C225-H318 PolarHBondContact O-NE2 2.85Å; C225-R322 VanDerWaalsContact O-CD 3.32Å; C225-R322 WeakPolarHBondContact O-CD 3.25Å
226	G	98	Very high	97.9	Very high	23 Å²	23	21.2 Å²	21.2	24%	0.237	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	16	-175.1	0	0	0	0	0	114.1	Y98 F224	Y98-G226 VanDerWaalsContact OH-CA 3.31Å; Y98-G226 WeakPolarHBondContact OH-CA 3.46Å; Y98-G226 PolarHBondContact OH-N 3.25Å; F224-G226 VanDerWaalsContact C-N 3.25Å; F224-G226 PolarHBondContact O-N 3.12Å
227	D	97.8	Very high	98	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.122	C	C	.	.			trans	-58.4	130	-177.2	-169.9	-86.5	0	0	0	112	Y98 H100 T229 I230 L234 R322	Y98-D227 HydrophobicContact CD1-CB 4.04Å; Y98-D227 WeakPolarHBondContact CD1-OD2 3.42Å; Y98-D227 HydrophobicContact CE1-CB 3.79Å; H100-D227 IonicContact CD2-OD2 2.89Å; H100-D227 IonicContact CE1-OD2 2.87Å; H100-D227 PolarHBondContact CE1-OD2 2.9Å; H100-D227 IonicContact NE2-OD1 2.67Å; H100-D227 IonicContact NE2-OD2 2.82Å; H100-D227 PolarHBondContact NE2-OD2 3.25Å; D227-T229 PolarHBondContact O-N 3.31Å; D227-T229 VanDerWaalsContact O-N 3.07Å; D227-T229 WeakPolarHBondContact OD1-CA 3.45Å; D227-T229 PolarHBondContact OD1-N 2.86Å; D227-T229 PolarHBondContact OD1-OG1 2.6Å; D227-I230 HydrophobicContact CB-CB 3.97Å; D227-I230 VanDerWaalsContact O-O 3.1Å; D227-I230 PolarHBondContact OD1-N 3.47Å; D227-L234 HydrophobicContact CB-CD1 4.34Å; D227-R322 PolarHBondContact O-NH2 3.19Å
228	P	96	Very high	98.1	Very high	99 Å²	99	15.6 Å²	15.6	64%	0.643	9%	0.092	S	C	*	.	S	Bend	trans	-66.4	-12.2	-175.4	27.6	-36	0	0	0	114.4	M326	P228-M326 WeakPolarHBondContact O-CE 3.43Å
229	T	96.1	Very high	98.2	Very high	57 Å²	57	13.7 Å²	13.7	35%	0.35	8%	0.083	S	C	.	.	S	Bend	trans	-123.1	-35.4	-175.8	55.1	0	0	0	0	113.2	F90 D227	F90-T229 VanDerWaalsContact CE2-OG1 3.31Å; F90-T229 WeakPolarHBondContact CE2-OG1 3.45Å; D227-T229 PolarHBondContact O-N 3.31Å; D227-T229 VanDerWaalsContact O-N 3.07Å; D227-T229 WeakPolarHBondContact OD1-CA 3.45Å; D227-T229 PolarHBondContact OD1-N 2.86Å; D227-T229 PolarHBondContact OD1-OG1 2.6Å
230	I	98.1	Very high	98.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.077	C	C	.	.			trans	-91.5	129.1	177.7	-64.9	168.7	0	0	0	109.3	Y51 P89 F90 F95 D227 T232 L234	Y51-I230 HydrophobicContact CD2-CG2 4.48Å; Y51-I230 HydrophobicContact CE2-CD1 4.39Å; Y51-I230 HydrophobicContact CE2-CG2 4.41Å; P89-I230 HydrophobicContact CG-CG1 4.07Å; F90-I230 HydrophobicContact CD2-CD1 4.23Å; F90-I230 HydrophobicContact CD2-CG1 4.32Å; F90-I230 HydrophobicContact CE2-CD1 4.31Å; F90-I230 HydrophobicContact CE2-CG1 4.23Å; F95-I230 HydrophobicContact CD2-CD1 3.65Å; F95-I230 HydrophobicContact CE2-CD1 4.27Å; D227-I230 HydrophobicContact CB-CB 3.97Å; D227-I230 VanDerWaalsContact O-O 3.1Å; D227-I230 PolarHBondContact OD1-N 3.47Å; I230-T232 VanDerWaalsContact C-N 3.32Å; I230-T232 HydrophobicContact CG2-CG2 3.9Å; I230-T232 PolarHBondContact O-N 3.3Å; I230-L234 HydrophobicContact CB-CD2 4.03Å; I230-L234 HydrophobicContact CD1-CD2 3.6Å; I230-L234 HydrophobicContact CG1-CD2 4.41Å; I230-L234 HydrophobicContact CG2-CD2 3.62Å
231	T	98	Very high	98.3	Very high	14 Å²	14	13.5 Å²	13.5	9%	0.086	8%	0.081	C	C	.	.	S	Bend	trans	-89	4.9	-171.1	50.7	0	0	0	0	113.8	Y48 T319 R322 Q323 M326	Y48-T231 VanDerWaalsContact CE1-OG1 3.29Å; Y48-T231 WeakPolarHBondContact CE1-OG1 3.43Å; Y48-T231 PolarHBondContact OH-N 2.78Å; T231-T319 VanDerWaalsContact O-CA 3.29Å; T231-T319 WeakPolarHBondContact O-CA 3.49Å; T231-R322 HydrophobicContact CG2-CB 4.19Å; T231-R322 WeakPolarHBondContact O-CB 3.31Å; T231-R322 WeakPolarHBondContact O-CD 3.43Å; T231-Q323 HydrophobicContact CG2-CG 3.76Å; T231-Q323 WeakPolarHBondContact OG1-CG 3.39Å; T231-M326 HydrophobicContact CG2-CE 3.98Å; T231-M326 HydrophobicContact CG2-SD 3.59Å; T231-M326 VanDerWaalsContact CG2-SD 3.59Å
232	T	98.2	Very high	98.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-129.1	-176.3	179.2	-172.2	0	0	0	0	111.1	Y48 P49 Y51 I230 T319	Y48-T232 HydrophobicContact CD1-CG2 4.3Å; Y48-T232 HydrophobicContact CE1-CG2 3.87Å; P49-T232 PolarHBondContact O-OG1 3.2Å; Y51-T232 VanDerWaalsContact CB-CG2 3.42Å; Y51-T232 HydrophobicContact CD2-CG2 4.17Å; Y51-T232 HydrophobicContact CG-CG2 3.95Å; I230-T232 VanDerWaalsContact C-N 3.32Å; I230-T232 HydrophobicContact CG2-CG2 3.9Å; I230-T232 PolarHBondContact O-N 3.3Å; T232-T319 PolarHBondContact OG1-OG1 2.94Å
233	C	98.7	Very high	98.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.068	C	C	.	.			trans	-79.5	144	175.5	-53.5	0	0	0	0	111.9	T223 C225	T223-C233 WeakPolarHBondContact O-CB 3.4Å; C225-C233 HydrophobicContact CB-CB 3.99Å; C225-C233 WeakPolarHBondContact CB-SG 3.4Å; C225-C233 WeakPolarHBondContact SG-CB 3.26Å; C225-C233 CovalentContact SG-SG 2.03Å; C225-C233 PolarHBondContact SG-SG 3.44Å
234	L	98.8	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-93.2	-20.1	-176.8	-53.6	-179.1	0	0	0	113.8	Y51 A55 N96 D97 Y98 T223 F224 D227 I230	Y51-L234 HydrophobicContact CD1-CD2 4.24Å; Y51-L234 HydrophobicContact CE1-CD2 3.84Å; A55-L234 VanDerWaalsContact CB-O 3.31Å; A55-L234 WeakPolarHBondContact CB-O 3.3Å; N96-L234 PolarHBondContact ND2-O 3.05Å; D97-L234 VanDerWaalsContact O-CD1 3.27Å; D97-L234 WeakPolarHBondContact O-CD1 3.42Å; Y98-L234 HydrophobicContact CD1-CD1 3.87Å; Y98-L234 HydrophobicContact CE1-CD1 4.19Å; T223-L234 PolarHBondContact O-N 3.26Å; F224-L234 HydrophobicContact CB-CB 3.9Å; F224-L234 HydrophobicContact CB-CD1 4.2Å; F224-L234 HydrophobicContact CB-CG 4.13Å; D227-L234 HydrophobicContact CB-CD1 4.34Å; I230-L234 HydrophobicContact CB-CD2 4.03Å; I230-L234 HydrophobicContact CD1-CD2 3.6Å; I230-L234 HydrophobicContact CG1-CD2 4.41Å; I230-L234 HydrophobicContact CG2-CD2 3.62Å
235	A	98.8	Very high	98.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.5	-178.7	0	0	0	0	0	111.8	D56 N96 S222 T223 F224 Y240	D56-A235 WeakPolarHBondContact OD1-CA 3.42Å; D56-A235 WeakPolarHBondContact OD1-CB 3.49Å; N96-A235 VanDerWaalsContact ND2-CB 3.26Å; N96-A235 WeakPolarHBondContact ND2-CB 3.39Å; S222-A235 WeakPolarHBondContact CA-O 3.23Å; S222-A235 WeakPolarHBondContact CB-O 3.5Å; T223-A235 HydrophobicContact CG2-CB 4.13Å; T223-A235 PolarHBondContact N-O 3.2Å; T223-A235 PolarHBondContact O-N 3.06Å; F224-A235 HydrophobicContact CD2-CB 3.93Å; F224-A235 HydrophobicContact CE2-CB 4.37Å; A235-Y240 HydrophobicContact CB-CD2 3.99Å; A235-Y240 HydrophobicContact CB-CG 4.35Å
236	D	98.9	Very high	98	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	144.5	160.2	-66	-66.8	0	0	0	112.1	R52 H53 D56 T149 E190 S222 S239 Y240	R52-D236 WeakPolarHBondContact CD-OD1 3.11Å; R52-D236 WeakPolarHBondContact CG-OD2 3.31Å; R52-D236 IonicContact NE-OD1 2.74Å; R52-D236 PolarHBondContact NE-OD1 3.42Å; R52-D236 IonicContact NE-OD2 3.89Å; H53-D236 IonicContact CD2-OD2 3.58Å; H53-D236 PolarHBondContact CD2-OD2 3.47Å; H53-D236 IonicContact NE2-OD2 3.47Å; D56-D236 PolarHBondContact OD1-N 2.93Å; D56-D236 WeakPolarHBondContact OD2-CB 2.95Å; D56-D236 PolarHBondContact OD2-N 2.67Å; T149-D236 PolarHBondContact OG1-OD2 3.47Å; E190-D236 HydrophobicContact CG-CB 3.58Å; E190-D236 WeakPolarHBondContact OE2-CB 3.38Å; S222-D236 WeakPolarHBondContact CB-OD1 3.44Å; S222-D236 PolarHBondContact OG-OD1 3.01Å; D236-S239 PolarHBondContact O-N 3.47Å; D236-Y240 VanDerWaalsContact O-CB 3.28Å; D236-Y240 WeakPolarHBondContact O-CB 3.42Å; D236-Y240 PolarHBondContact O-N 2.86Å
237	L	98.8	Very high	97.9	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-51.6	-169.9	178.5	61.7	0	0	0	111.7	Y221 T223 S239 N241 T267 L269 P306	Y221-L237 VanDerWaalsContact O-CB 3.23Å; Y221-L237 WeakPolarHBondContact O-CB 3.28Å; Y221-L237 PolarHBondContact O-N 3.34Å; T223-L237 HydrophobicContact CG2-CD1 4.38Å; L237-S239 VanDerWaalsContact C-N 3.34Å; L237-N241 WeakPolarHBondContact O-CB 3.16Å; L237-N241 PolarHBondContact O-N 3.06Å; L237-N241 VanDerWaalsContact O-N 3.16Å; L237-N241 PolarHBondContact O-ND2 2.97Å; L237-T267 HydrophobicContact CD2-CG2 4.12Å; L237-T267 HydrophobicContact CG-CG2 4.13Å; L237-L269 HydrophobicContact CD2-CB 4.04Å; L237-L269 HydrophobicContact CD2-CD1 4.06Å; L237-L269 HydrophobicContact CD2-CG 4.08Å; L237-P306 HydrophobicContact CD1-CB 3.42Å; L237-P306 VanDerWaalsContact CD1-CB 3.42Å; L237-P306 HydrophobicContact CD1-CG 3.77Å
238	Y	98.9	Very high	97.6	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-64.3	-43.9	177.4	159	-94.1	0	0	0	110.7	Y188 E190 T211 A213 N241 W242 V263 V272	Y188-Y238 WeakPolarHBondContact CB-OH 3.4Å; E190-Y238 HydrophobicContact CB-CD1 4.21Å; E190-Y238 WeakPolarHBondContact OE2-CB 3.29Å; E190-Y238 WeakPolarHBondContact OE2-CD1 3.39Å; T211-Y238 PolarHBondContact O-OH 3.02Å; T211-Y238 PolarHBondContact OG1-OH 3.43Å; A213-Y238 VanDerWaalsContact CA-CG 3.45Å; A213-Y238 VanDerWaalsContact CB-CB 3.49Å; A213-Y238 HydrophobicContact CB-CD1 3.55Å; A213-Y238 HydrophobicContact CB-CD2 4.31Å; A213-Y238 HydrophobicContact CB-CE1 4.33Å; A213-Y238 HydrophobicContact CB-CG 3.53Å; Y238-N241 PolarHBondContact O-N 3.21Å; Y238-W242 AromaticContact CE1-CD1 3.73Å; Y238-W242 VanDerWaalsContact O-CD1 3.31Å; Y238-W242 PolarHBondContact O-N 3.34Å; Y238-W242 VanDerWaalsContact O-N 3.09Å; Y238-V263 HydrophobicContact CD2-CG1 3.47Å; Y238-V263 VanDerWaalsContact CD2-CG1 3.47Å; Y238-V263 HydrophobicContact CE2-CG1 3.65Å; Y238-V272 HydrophobicContact CD2-CG1 4.04Å; Y238-V272 HydrophobicContact CD2-CG2 3.82Å; Y238-V272 HydrophobicContact CE2-CG1 3.83Å; Y238-V272 HydrophobicContact CE2-CG2 4.45Å
239	S	98.9	Very high	97.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.9	-54.4	178.7	-66.2	0	0	0	0	112.5	D56 Y147 E190 D236 L237 N241 W242 I243	D56-S239 VanDerWaalsContact OD2-CB 3.31Å; D56-S239 WeakPolarHBondContact OD2-CB 3.2Å; Y147-S239 WeakPolarHBondContact OH-CB 3.44Å; Y147-S239 PolarHBondContact OH-OG 3.29Å; E190-S239 WeakPolarHBondContact CB-OG 3.21Å; E190-S239 WeakPolarHBondContact CG-OG 3.49Å; E190-S239 PolarHBondContact OE2-N 2.85Å; E190-S239 PolarHBondContact OE2-OG 3.18Å; D236-S239 PolarHBondContact O-N 3.47Å; L237-S239 VanDerWaalsContact C-N 3.34Å; S239-N241 VanDerWaalsContact C-N 3.28Å; S239-N241 PolarHBondContact O-N 3.11Å; S239-W242 VanDerWaalsContact CA-CD1 3.47Å; S239-W242 VanDerWaalsContact O-CD1 3.23Å; S239-W242 PolarHBondContact O-N 3.43Å; S239-W242 PolarHBondContact O-NE1 3.1Å; S239-I243 WeakPolarHBondContact O-CB 3.06Å; S239-I243 WeakPolarHBondContact O-CD1 3.21Å; S239-I243 WeakPolarHBondContact O-CG1 2.89Å; S239-I243 PolarHBondContact O-N 3.06Å
240	Y	98.8	Very high	97.4	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-55.6	-45.4	177.3	-171.3	-96.4	0	0	0	111.7	N96 D97 F224 A235 D236 W242 I243 V244 M304 P306	N96-Y240 WeakPolarHBondContact O-CD2 3.41Å; N96-Y240 VanDerWaalsContact O-CE2 3.3Å; N96-Y240 WeakPolarHBondContact O-CE2 3.31Å; N96-Y240 WeakPolarHBondContact OD1-CD2 3.42Å; D97-Y240 HydrophobicContact CB-CE2 3.91Å; D97-Y240 PolarHBondContact OD2-OH 3.38Å; F224-Y240 HydrophobicContact CD2-CD2 4.42Å; F224-Y240 HydrophobicContact CD2-CE2 4.46Å; F224-Y240 AromaticContact CE2-CD1 3.85Å; F224-Y240 HydrophobicContact CE2-CD1 3.85Å; F224-Y240 AromaticContact CE2-CD2 3.6Å; F224-Y240 HydrophobicContact CE2-CD2 3.6Å; F224-Y240 AromaticContact CE2-CE1 3.76Å; F224-Y240 HydrophobicContact CE2-CE1 3.76Å; F224-Y240 AromaticContact CE2-CE2 3.51Å; F224-Y240 HydrophobicContact CE2-CE2 3.51Å; F224-Y240 AromaticContact CE2-CG 3.76Å; F224-Y240 HydrophobicContact CE2-CG 3.76Å; F224-Y240 AromaticContact CE2-CZ 3.58Å; F224-Y240 HydrophobicContact CZ-CD1 4.13Å; F224-Y240 HydrophobicContact CZ-CD2 4.46Å; F224-Y240 AromaticContact CZ-CE1 3.69Å; F224-Y240 HydrophobicContact CZ-CE1 3.69Å; F224-Y240 HydrophobicContact CZ-CE2 4.07Å; F224-Y240 HydrophobicContact CZ-CG 4.48Å; F224-Y240 AromaticContact CZ-CZ 3.64Å; A235-Y240 HydrophobicContact CB-CD2 3.99Å; A235-Y240 HydrophobicContact CB-CG 4.35Å; D236-Y240 VanDerWaalsContact O-CB 3.28Å; D236-Y240 WeakPolarHBondContact O-CB 3.42Å; D236-Y240 PolarHBondContact O-N 2.86Å; Y240-W242 PolarHBondContact O-N 3Å; Y240-I243 PolarHBondContact O-N 2.75Å; Y240-V244 HydrophobicContact CD1-CG2 3.95Å; Y240-V244 HydrophobicContact CD2-CG2 4.33Å; Y240-V244 HydrophobicContact CE1-CB 4.43Å; Y240-V244 HydrophobicContact CE1-CG2 3.55Å; Y240-V244 HydrophobicContact CE2-CG2 3.97Å; Y240-V244 HydrophobicContact CG-CG2 4.34Å; Y240-V244 VanDerWaalsContact O-CB 3.29Å; Y240-V244 WeakPolarHBondContact O-CB 3.07Å; Y240-V244 WeakPolarHBondContact O-CG2 3.17Å; Y240-V244 PolarHBondContact O-N 2.85Å; Y240-M304 WeakPolarHBondContact CE1-O 3.3Å; Y240-M304 PolarHBondContact OH-N 3.16Å; Y240-M304 VanDerWaalsContact OH-N 3.11Å; Y240-M304 PolarHBondContact OH-O 2.89Å; Y240-P306 HydrophobicContact CD1-CG 3.85Å; Y240-P306 HydrophobicContact CE1-CG 4.3Å
241	N	98.7	Very high	97.2	Very high	14 Å²	14	15.4 Å²	15.4	8%	0.075	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-44.7	-177.3	-75.2	-26.6	0	0	0	112.9	L237 Y238 S239 D245 V263 E266 T267	L237-N241 WeakPolarHBondContact O-CB 3.16Å; L237-N241 PolarHBondContact O-N 3.06Å; L237-N241 VanDerWaalsContact O-N 3.16Å; L237-N241 PolarHBondContact O-ND2 2.97Å; Y238-N241 PolarHBondContact O-N 3.21Å; S239-N241 VanDerWaalsContact C-N 3.28Å; S239-N241 PolarHBondContact O-N 3.11Å; N241-D245 WeakPolarHBondContact O-CB 3.45Å; N241-D245 PolarHBondContact O-N 3.04Å; N241-V263 HydrophobicContact CB-CG1 4.27Å; N241-E266 HydrophobicContact CB-CB 4.32Å; N241-E266 PolarHBondContact ND2-O 3.18Å; N241-T267 PolarHBondContact ND2-N 3.29Å; N241-T267 PolarHBondContact ND2-OG1 3.35Å
242	W	98.7	Very high	97.1	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-73.6	-36.4	178.1	81.3	-104.5	0	0	0	111.9	A60 F145 Y147 Y188 Y238 S239 Y240 D245 S246 V263	A60-W242 HydrophobicContact CB-CH2 3.78Å; A60-W242 HydrophobicContact CB-CZ2 4.12Å; F145-W242 AromaticContact CE1-CH2 3.85Å; F145-W242 HydrophobicContact CE1-CH2 3.85Å; F145-W242 HydrophobicContact CE1-CZ3 4.19Å; F145-W242 AromaticContact CZ-CH2 3.73Å; F145-W242 HydrophobicContact CZ-CH2 3.73Å; F145-W242 HydrophobicContact CZ-CZ2 4.25Å; F145-W242 AromaticContact CZ-CZ3 3.88Å; F145-W242 HydrophobicContact CZ-CZ3 3.88Å; Y147-W242 HydrophobicContact CD1-CH2 4.46Å; Y147-W242 AromaticContact CD1-CZ2 3.77Å; Y147-W242 HydrophobicContact CD1-CZ2 3.77Å; Y147-W242 AromaticContact CD2-CZ2 3.66Å; Y147-W242 HydrophobicContact CD2-CZ2 3.66Å; Y147-W242 AromaticContact CD2-NE1 3.9Å; Y147-W242 AromaticContact CE1-CZ2 3.96Å; Y147-W242 HydrophobicContact CE1-CZ2 3.96Å; Y147-W242 AromaticContact CE2-CZ2 3.88Å; Y147-W242 HydrophobicContact CE2-CZ2 3.88Å; Y147-W242 AromaticContact CE2-NE1 3.55Å; Y147-W242 HydrophobicContact CG-CH2 4.36Å; Y147-W242 AromaticContact CG-CZ2 3.6Å; Y147-W242 HydrophobicContact CG-CZ2 3.6Å; Y188-W242 HydrophobicContact CD2-CB 4.49Å; Y188-W242 AromaticContact CD2-CD2 3.67Å; Y188-W242 HydrophobicContact CD2-CD2 3.67Å; Y188-W242 AromaticContact CD2-CE2 3.98Å; Y188-W242 AromaticContact CD2-CE3 3.97Å; Y188-W242 HydrophobicContact CD2-CE3 3.97Å; Y188-W242 AromaticContact CD2-CG 3.89Å; Y188-W242 HydrophobicContact CD2-CG 3.89Å; Y188-W242 HydrophobicContact CE2-CB 4.37Å; Y188-W242 HydrophobicContact CE2-CD2 4.04Å; Y188-W242 AromaticContact CE2-CE3 4Å; Y188-W242 HydrophobicContact CE2-CE3 4Å; Y188-W242 HydrophobicContact CE2-CG 4.19Å; Y238-W242 AromaticContact CE1-CD1 3.73Å; Y238-W242 VanDerWaalsContact O-CD1 3.31Å; Y238-W242 PolarHBondContact O-N 3.34Å; Y238-W242 VanDerWaalsContact O-N 3.09Å; S239-W242 VanDerWaalsContact CA-CD1 3.47Å; S239-W242 VanDerWaalsContact O-CD1 3.23Å; S239-W242 PolarHBondContact O-N 3.43Å; S239-W242 PolarHBondContact O-NE1 3.1Å; Y240-W242 PolarHBondContact O-N 3Å; W242-D245 PolarHBondContact O-N 3.33Å; W242-S246 WeakPolarHBondContact O-CB 3.25Å; W242-S246 PolarHBondContact O-N 3.13Å; W242-S246 PolarHBondContact O-OG 3.22Å; W242-V263 HydrophobicContact CB-CG1 4.29Å; W242-V263 HydrophobicContact CB-CG2 3.67Å
243	I	98.4	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-46.7	179	-66.9	165.2	0	0	0	109.8	D56 H59 A60 V63 S239 Y240 S246 Q247	D56-I243 HydrophobicContact CB-CD1 4.17Å; D56-I243 WeakPolarHBondContact O-CD1 3.47Å; H59-I243 HydrophobicContact CB-CG2 4.25Å; H59-I243 WeakPolarHBondContact ND1-CG2 3.32Å; A60-I243 HydrophobicContact CB-CD1 4.07Å; A60-I243 HydrophobicContact CB-CG1 4.16Å; V63-I243 HydrophobicContact CB-CG2 4.5Å; V63-I243 HydrophobicContact CG2-CG2 3.72Å; S239-I243 WeakPolarHBondContact O-CB 3.06Å; S239-I243 WeakPolarHBondContact O-CD1 3.21Å; S239-I243 WeakPolarHBondContact O-CG1 2.89Å; S239-I243 PolarHBondContact O-N 3.06Å; Y240-I243 PolarHBondContact O-N 2.75Å; I243-S246 PolarHBondContact O-N 2.85Å; I243-Q247 WeakPolarHBondContact O-CB 3.35Å; I243-Q247 PolarHBondContact O-N 2.87Å
244	V	96.8	Very high	96.9	Very high	21 Å²	21	24.6 Å²	24.6	13%	0.127	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-39.9	178.4	160.4	0	0	0	0	112.6	Y240 S246 Q247 T248 P303	Y240-V244 HydrophobicContact CD1-CG2 3.95Å; Y240-V244 HydrophobicContact CD2-CG2 4.33Å; Y240-V244 HydrophobicContact CE1-CB 4.43Å; Y240-V244 HydrophobicContact CE1-CG2 3.55Å; Y240-V244 HydrophobicContact CE2-CG2 3.97Å; Y240-V244 HydrophobicContact CG-CG2 4.34Å; Y240-V244 VanDerWaalsContact O-CB 3.29Å; Y240-V244 WeakPolarHBondContact O-CB 3.07Å; Y240-V244 WeakPolarHBondContact O-CG2 3.17Å; Y240-V244 PolarHBondContact O-N 2.85Å; V244-S246 VanDerWaalsContact C-N 3.28Å; V244-S246 PolarHBondContact O-N 3.2Å; V244-Q247 PolarHBondContact O-N 3.28Å; V244-T248 HydrophobicContact CG1-CG2 4.44Å; V244-T248 WeakPolarHBondContact O-CB 3.26Å; V244-T248 WeakPolarHBondContact O-CG2 3.43Å; V244-T248 PolarHBondContact O-N 3.02Å; V244-T248 PolarHBondContact O-OG1 2.82Å; V244-P303 HydrophobicContact CB-CB 4.2Å; V244-P303 HydrophobicContact CB-CG 4.45Å; V244-P303 HydrophobicContact CG1-CB 3.27Å; V244-P303 HydrophobicContact CG1-CG 3.37Å; V244-P303 HydrophobicContact CG2-CB 3.84Å; V244-P303 HydrophobicContact CG2-CG 4.38Å
245	D	96.7	Very high	96.9	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.032	13%	0.129	C	C	.	.	H	α-helix	trans	-56.5	-47.8	172.4	178.9	-91.5	0	0	0	109.8	N241 W242 Q247 T248 H249 R254 Q259	N241-D245 WeakPolarHBondContact O-CB 3.45Å; N241-D245 PolarHBondContact O-N 3.04Å; W242-D245 PolarHBondContact O-N 3.33Å; D245-Q247 PolarHBondContact O-N 2.69Å; D245-T248 PolarHBondContact O-N 3.26Å; D245-T248 PolarHBondContact O-OG1 3.15Å; D245-H249 WeakPolarHBondContact O-CB 3.49Å; D245-H249 PolarHBondContact O-N 3.11Å; D245-H249 PolarHBondContact O-ND1 2.98Å; D245-H249 IonicContact OD2-CE1 3.79Å; D245-H249 IonicContact OD2-ND1 2.75Å; D245-R254 IonicContact OD1-NE 3.73Å; D245-R254 IonicContact OD2-CZ 3.75Å; D245-R254 IonicContact OD2-NE 3.5Å; D245-R254 PolarHBondContact OD2-NE 3.24Å; D245-R254 IonicContact OD2-NH2 2.67Å; D245-R254 PolarHBondContact OD2-NH2 2.72Å; D245-Q259 WeakPolarHBondContact OD1-CB 3.47Å; D245-Q259 VanDerWaalsContact OD1-CG 3.29Å; D245-Q259 WeakPolarHBondContact OD1-CG 3.2Å; D245-Q259 PolarHBondContact OD1-NE2 3.43Å
246	S	96.8	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-35.8	177.9	-72.9	0	0	0	0	113.7	K67 W242 I243 V244 Q259 Q289	K67-S246 WeakPolarHBondContact CE-O 3.25Å; K67-S246 PolarHBondContact NZ-O 3.42Å; K67-S246 VanDerWaalsContact NZ-O 3.11Å; W242-S246 WeakPolarHBondContact O-CB 3.25Å; W242-S246 PolarHBondContact O-N 3.13Å; W242-S246 PolarHBondContact O-OG 3.22Å; I243-S246 PolarHBondContact O-N 2.85Å; V244-S246 VanDerWaalsContact C-N 3.28Å; V244-S246 PolarHBondContact O-N 3.2Å; S246-Q259 PolarHBondContact OG-NE2 3.44Å; S246-Q289 VanDerWaalsContact CB-OE1 3.24Å; S246-Q289 PolarHBondContact OG-OE1 2.56Å
247	Q	94.3	Very high	96.9	Very high	29 Å²	29	27.4 Å²	27.4	14%	0.136	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-48.9	176.8	-177.3	-176	-19.1	0	0	111	H59 V63 K67 I243 V244 D245	H59-Q247 PolarHBondContact NE2-OE1 3.49Å; V63-Q247 HydrophobicContact CG2-CB 3.88Å; V63-Q247 HydrophobicContact CG2-CG 4.31Å; K67-Q247 PolarHBondContact NZ-O 2.78Å; I243-Q247 WeakPolarHBondContact O-CB 3.35Å; I243-Q247 PolarHBondContact O-N 2.87Å; V244-Q247 PolarHBondContact O-N 3.28Å; D245-Q247 PolarHBondContact O-N 2.69Å
248	T	92.7	Very high	96.9	Very high	64 Å²	64	31.1 Å²	31.1	39%	0.393	16%	0.155	S	C	.	.	H	α-helix	trans	-87	-18.3	-166	52.2	0	0	0	0	115.3	V244 D245 P303	V244-T248 HydrophobicContact CG1-CG2 4.44Å; V244-T248 WeakPolarHBondContact O-CB 3.26Å; V244-T248 WeakPolarHBondContact O-CG2 3.43Å; V244-T248 PolarHBondContact O-N 3.02Å; V244-T248 PolarHBondContact O-OG1 2.82Å; D245-T248 PolarHBondContact O-N 3.26Å; D245-T248 PolarHBondContact O-OG1 3.15Å; T248-P303 HydrophobicContact CG2-CG 3.36Å
249	H	93.2	Very high	96.9	Very high	66 Å²	66	31 Å²	31	31%	0.306	16%	0.155	S	C	.	.	S	Bend	trans	-101.7	155	-177.6	-66.8	83.1	0	0	0	113.5	K67 D245 L251 R254	K67-H249 PolarHBondContact NZ-O 2.99Å; D245-H249 WeakPolarHBondContact O-CB 3.49Å; D245-H249 PolarHBondContact O-N 3.11Å; D245-H249 PolarHBondContact O-ND1 2.98Å; D245-H249 IonicContact OD2-CE1 3.79Å; D245-H249 IonicContact OD2-ND1 2.75Å; H249-L251 HydrophobicContact CB-CD2 4.49Å; H249-L251 PolarHBondContact O-N 2.96Å; H249-R254 HydrophobicContact CB-CB 4.45Å; H249-R254 HydrophobicContact CB-CG 4.41Å
250	H	93.6	Very high	96.9	Very high	99 Å²	99	32.5 Å²	32.5	46%	0.458	16%	0.161	S	C	.	.			trans	-72.8	106.5	163.9	-57.7	115	0	0	0	109	T252 Q253 R254 D293	H250-T252 PolarHBondContact O-N 3.37Å; H250-Q253 HydrophobicContact CB-CB 4.45Å; H250-Q253 HydrophobicContact CB-CG 4.45Å; H250-Q253 PolarHBondContact O-N 3.49Å; H250-R254 PolarHBondContact O-N 3.31Å; H250-D293 IonicContact CD2-OD1 3.2Å; H250-D293 PolarHBondContact CD2-OD1 3.46Å; H250-D293 IonicContact CG-OD1 3.44Å
251	L	95.5	Very high	96.9	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.1	-171.6	-56.1	-173.2	0	0	0	113.2	K67 H249 Q253 V285 S286 Q289	K67-L251 HydrophobicContact CB-CD1 4.26Å; K67-L251 HydrophobicContact CD-CD1 3.82Å; K67-L251 HydrophobicContact CD-CG 4.11Å; K67-L251 HydrophobicContact CG-CD1 3.72Å; H249-L251 HydrophobicContact CB-CD2 4.49Å; H249-L251 PolarHBondContact O-N 2.96Å; L251-Q253 PolarHBondContact O-N 2.8Å; L251-V285 HydrophobicContact CB-CB 4.29Å; L251-V285 HydrophobicContact CD1-CG1 4.14Å; L251-V285 HydrophobicContact CD2-CB 4.17Å; L251-V285 HydrophobicContact CD2-CG1 3.97Å; L251-V285 HydrophobicContact CG-CG1 4.44Å; L251-S286 WeakPolarHBondContact O-CB 3.37Å; L251-S286 PolarHBondContact O-N 3.14Å; L251-S286 PolarHBondContact O-OG 3.42Å; L251-Q289 HydrophobicContact CD1-CB 3.96Å
252	T	95.6	Very high	96.9	Very high	39 Å²	39	40.8 Å²	40.8	24%	0.239	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.3	170.5	51.8	0	0	0	0	112.6	H250 Y284 S286	H250-T252 PolarHBondContact O-N 3.37Å; T252-Y284 VanDerWaalsContact O-CD1 3.32Å; T252-Y284 WeakPolarHBondContact O-CD1 3.4Å; T252-Y284 WeakPolarHBondContact O-CE1 3.46Å; T252-S286 WeakPolarHBondContact CA-OG 3.48Å
253	Q	95.8	Very high	96.9	Very high	134 Å²	134	40.9 Å²	40.9	63%	0.626	20%	0.198	S	C	*	.	S	Bend	trans	-122	-0.7	-179	-58	178.3	5.4	0	0	112.7	H250 L251 Q258	H250-Q253 HydrophobicContact CB-CB 4.45Å; H250-Q253 HydrophobicContact CB-CG 4.45Å; H250-Q253 PolarHBondContact O-N 3.49Å; L251-Q253 PolarHBondContact O-N 2.8Å; Q253-Q258 PolarHBondContact O-OE1 3.43Å
254	R	96.8	Very high	96.9	Very high	34 Å²	34	45 Å²	45	13%	0.128	22%	0.216	C	C	.	.			trans	-107.2	119.2	-179.4	-168.4	68.4	166.8	171.7	-4	109.6	D245 H249 H250 E262 Y284 V285	D245-R254 IonicContact OD1-NE 3.73Å; D245-R254 IonicContact OD2-CZ 3.75Å; D245-R254 IonicContact OD2-NE 3.5Å; D245-R254 PolarHBondContact OD2-NE 3.24Å; D245-R254 IonicContact OD2-NH2 2.67Å; D245-R254 PolarHBondContact OD2-NH2 2.72Å; H249-R254 HydrophobicContact CB-CB 4.45Å; H249-R254 HydrophobicContact CB-CG 4.41Å; H250-R254 PolarHBondContact O-N 3.31Å; R254-E262 IonicContact NH2-OE2 3.61Å; R254-Y284 CarbonylContact O-C 3.59Å; R254-Y284 WeakPolarHBondContact O-CA 3.24Å; R254-V285 HydrophobicContact CB-CG2 4.34Å; R254-V285 HydrophobicContact CG-CG2 4.1Å; R254-V285 WeakPolarHBondContact O-CG2 3.02Å; R254-V285 PolarHBondContact O-N 3.26Å
255	T	98.6	Very high	97	Very high	24 Å²	24	50.7 Å²	50.7	15%	0.147	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-85.7	158.1	175.8	72.7	0	0	0	0	112.1	D257 Q258 Q259 L283 Y284	T255-D257 PolarHBondContact O-N 3.47Å; T255-Q258 WeakPolarHBondContact O-CB 3.42Å; T255-Q258 PolarHBondContact O-N 3.09Å; T255-Q258 VanDerWaalsContact O-N 3.08Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.48Å; T255-Q258 PolarHBondContact OG1-N 3.16Å; T255-Q259 PolarHBondContact O-N 2.81Å; T255-L283 CarbonylContact C-O 3.14Å; T255-L283 VanDerWaalsContact CA-O 3.24Å; T255-L283 WeakPolarHBondContact CA-O 3.41Å; T255-L283 WeakPolarHBondContact CB-O 3.46Å; T255-Y284 HydrophobicContact CG2-CD1 4.05Å; T255-Y284 HydrophobicContact CG2-CE1 4Å
256	L	98.8	Very high	97	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56	-37.8	172.8	-70.3	175.1	0	0	0	111.9	V186 Y209 Y260 M280 L283 V285 F288	V186-L256 HydrophobicContact CG1-CD2 4.42Å; V186-L256 HydrophobicContact CG2-CD1 3.76Å; V186-L256 HydrophobicContact CG2-CD2 4.24Å; Y209-L256 HydrophobicContact CD1-CD1 4.1Å; Y209-L256 HydrophobicContact CE1-CB 4.12Å; Y209-L256 HydrophobicContact CE1-CD1 4.34Å; Y209-L256 HydrophobicContact CE2-CB 4.42Å; Y209-L256 HydrophobicContact CG-CD1 4.19Å; Y209-L256 PolarHBondContact OH-O 3.29Å; L256-Y260 VanDerWaalsContact O-CB 3.26Å; L256-Y260 WeakPolarHBondContact O-CB 3.34Å; L256-Y260 PolarHBondContact O-N 3.02Å; L256-M280 WeakPolarHBondContact CD1-O 3.41Å; L256-L283 HydrophobicContact CD1-CB 4.45Å; L256-L283 PolarHBondContact N-O 3.26Å; L256-V285 HydrophobicContact CD2-CG2 4.19Å; L256-F288 HydrophobicContact CD1-CD2 4.23Å; L256-F288 HydrophobicContact CD1-CE2 3.8Å; L256-F288 HydrophobicContact CD2-CD2 4.41Å
257	D	98.7	Very high	97.1	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.193	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-35.5	175.9	-86.3	-2.2	0	0	0	113.5	T255 K261 R274 G281	T255-D257 PolarHBondContact O-N 3.47Å; D257-K261 WeakPolarHBondContact O-CB 3.46Å; D257-K261 VanDerWaalsContact O-CG 3.23Å; D257-K261 WeakPolarHBondContact O-CG 3.38Å; D257-K261 PolarHBondContact O-N 3.41Å; D257-K261 VanDerWaalsContact O-N 3.1Å; D257-R274 IonicContact OD1-CZ 2.94Å; D257-R274 IonicContact OD1-NH1 3.51Å; D257-R274 PolarHBondContact OD1-NH1 2.87Å; D257-R274 IonicContact OD2-NH1 3.46Å; D257-G281 VanDerWaalsContact CB-O 3.26Å; D257-G281 WeakPolarHBondContact CB-O 3.26Å; D257-G281 VanDerWaalsContact CG-CA 3.48Å; D257-G281 VanDerWaalsContact CG-O 3.32Å; D257-G281 PolarHBondContact N-O 3.34Å; D257-G281 WeakPolarHBondContact OD1-CA 3.3Å
258	Q	98.8	Very high	97.2	Very high	80 Å²	80	57.8 Å²	57.8	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-69.1	-48.3	176.1	-74.3	170.5	-24.2	0	0	110.6	Q253 T255 Y260 K261 E262	Q253-Q258 PolarHBondContact O-OE1 3.43Å; T255-Q258 WeakPolarHBondContact O-CB 3.42Å; T255-Q258 PolarHBondContact O-N 3.09Å; T255-Q258 VanDerWaalsContact O-N 3.08Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.48Å; T255-Q258 PolarHBondContact OG1-N 3.16Å; Q258-Y260 PolarHBondContact O-N 3.1Å; Q258-K261 PolarHBondContact O-N 3.14Å; Q258-E262 PolarHBondContact O-N 3.23Å
259	Q	98.7	Very high	97.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-48.1	174.7	175.3	167.4	88.3	0	0	111.1	Y188 D245 S246 T255 K261 E262 V263 V285	Y188-Q259 PolarHBondContact OH-OE1 3.21Å; D245-Q259 WeakPolarHBondContact OD1-CB 3.47Å; D245-Q259 VanDerWaalsContact OD1-CG 3.29Å; D245-Q259 WeakPolarHBondContact OD1-CG 3.2Å; D245-Q259 PolarHBondContact OD1-NE2 3.43Å; S246-Q259 PolarHBondContact OG-NE2 3.44Å; T255-Q259 PolarHBondContact O-N 2.81Å; Q259-K261 VanDerWaalsContact C-N 3.34Å; Q259-K261 PolarHBondContact O-N 2.93Å; Q259-E262 WeakPolarHBondContact O-CB 3.37Å; Q259-E262 PolarHBondContact O-N 2.95Å; Q259-V263 HydrophobicContact CG-CG2 3.98Å; Q259-V263 WeakPolarHBondContact O-CB 3.5Å; Q259-V263 VanDerWaalsContact O-CG2 3.26Å; Q259-V263 WeakPolarHBondContact O-CG2 3.5Å; Q259-V263 PolarHBondContact O-N 3.1Å; Q259-V285 HydrophobicContact CB-CG2 4.08Å
260	Y	98.8	Very high	97.8	Very high	30 Å²	30	55.5 Å²	55.5	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-44.5	178.1	167.1	-105.9	0	0	0	112.7	T211 L256 Q258 E262 K264 V272 R274	T211-Y260 HydrophobicContact CG2-CD2 3.88Å; L256-Y260 VanDerWaalsContact O-CB 3.26Å; L256-Y260 WeakPolarHBondContact O-CB 3.34Å; L256-Y260 PolarHBondContact O-N 3.02Å; Q258-Y260 PolarHBondContact O-N 3.1Å; Y260-E262 VanDerWaalsContact C-N 3.34Å; Y260-E262 PolarHBondContact O-N 2.69Å; Y260-K264 HydrophobicContact CE1-CD 4.28Å; Y260-K264 HydrophobicContact CE2-CD 4.29Å; Y260-K264 WeakPolarHBondContact O-CB 3.13Å; Y260-K264 PolarHBondContact O-N 3.11Å; Y260-K264 PolarHBondContact OH-NZ 2.84Å; Y260-V272 HydrophobicContact CD2-CG1 4.11Å; Y260-V272 HydrophobicContact CE2-CG1 3.88Å; Y260-R274 HydrophobicContact CD2-CB 4.12Å; Y260-R274 HydrophobicContact CE1-CB 4.38Å; Y260-R274 HydrophobicContact CE2-CB 3.68Å
261	K	98.7	Very high	98	Very high	140 Å²	140	56 Å²	56	61%	0.609	26%	0.262	S	S	*	.	H	α-helix	trans	-64.7	-38.6	178.6	-75.5	171.3	-176	176.9	0	112.4	D257 Q258 Q259 R265	D257-K261 WeakPolarHBondContact O-CB 3.46Å; D257-K261 VanDerWaalsContact O-CG 3.23Å; D257-K261 WeakPolarHBondContact O-CG 3.38Å; D257-K261 PolarHBondContact O-N 3.41Å; D257-K261 VanDerWaalsContact O-N 3.1Å; Q258-K261 PolarHBondContact O-N 3.14Å; Q259-K261 VanDerWaalsContact C-N 3.34Å; Q259-K261 PolarHBondContact O-N 2.93Å; K261-R265 WeakPolarHBondContact O-CB 3.29Å; K261-R265 PolarHBondContact O-N 3.09Å
262	E	98.5	Very high	98.2	Very high	50 Å²	50	55.9 Å²	55.9	23%	0.234	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-56.2	176.3	-171.2	71.6	-172	0	0	111	R254 Q258 Q259 Y260 K264 R265 E266	R254-E262 IonicContact NH2-OE2 3.61Å; Q258-E262 PolarHBondContact O-N 3.23Å; Q259-E262 WeakPolarHBondContact O-CB 3.37Å; Q259-E262 PolarHBondContact O-N 2.95Å; Y260-E262 VanDerWaalsContact C-N 3.34Å; Y260-E262 PolarHBondContact O-N 2.69Å; E262-K264 VanDerWaalsContact C-N 3.26Å; E262-K264 PolarHBondContact O-N 2.62Å; E262-R265 WeakPolarHBondContact O-CA 3.1Å; E262-R265 WeakPolarHBondContact O-CB 3.5Å; E262-R265 PolarHBondContact O-N 3.03Å; E262-R265 IonicContact OE1-CZ 3.41Å; E262-R265 IonicContact OE1-NH1 3.55Å; E262-R265 IonicContact OE1-NH2 3.27Å; E262-R265 PolarHBondContact OE1-NH2 3.39Å; E262-R265 IonicContact OE2-CZ 3.84Å; E262-R265 IonicContact OE2-NH1 2.87Å; E262-R265 PolarHBondContact OE2-NH1 3.29Å; E262-R265 IonicContact OE2-NH2 3.24Å; E262-R265 PolarHBondContact OE2-NH2 3.46Å; E262-E266 PolarHBondContact O-N 2.97Å
263	V	98.6	Very high	98.3	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-38.8	-179	173.7	0	0	0	0	111.2	Y238 N241 W242 Q259 R265 E266 T267 V272	Y238-V263 HydrophobicContact CD2-CG1 3.47Å; Y238-V263 VanDerWaalsContact CD2-CG1 3.47Å; Y238-V263 HydrophobicContact CE2-CG1 3.65Å; N241-V263 HydrophobicContact CB-CG1 4.27Å; W242-V263 HydrophobicContact CB-CG1 4.29Å; W242-V263 HydrophobicContact CB-CG2 3.67Å; Q259-V263 HydrophobicContact CG-CG2 3.98Å; Q259-V263 WeakPolarHBondContact O-CB 3.5Å; Q259-V263 VanDerWaalsContact O-CG2 3.26Å; Q259-V263 WeakPolarHBondContact O-CG2 3.5Å; Q259-V263 PolarHBondContact O-N 3.1Å; V263-R265 VanDerWaalsContact C-N 3.28Å; V263-R265 PolarHBondContact O-N 2.82Å; V263-E266 PolarHBondContact O-N 2.78Å; V263-T267 WeakPolarHBondContact O-CB 3.32Å; V263-T267 PolarHBondContact O-N 2.96Å; V263-T267 PolarHBondContact O-OG1 3.18Å; V263-V272 HydrophobicContact CG1-CG2 4.48Å
264	K	98.6	Very high	98.4	Very high	86 Å²	86	53.3 Å²	53.3	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-30.4	174.1	-179.4	165.5	-173.9	151.1	0	113.4	Y260 E262 V272	Y260-K264 HydrophobicContact CE1-CD 4.28Å; Y260-K264 HydrophobicContact CE2-CD 4.29Å; Y260-K264 WeakPolarHBondContact O-CB 3.13Å; Y260-K264 PolarHBondContact O-N 3.11Å; Y260-K264 PolarHBondContact OH-NZ 2.84Å; E262-K264 VanDerWaalsContact C-N 3.26Å; E262-K264 PolarHBondContact O-N 2.62Å; K264-V272 HydrophobicContact CB-CB 4.04Å; K264-V272 HydrophobicContact CB-CG1 4.45Å; K264-V272 HydrophobicContact CG-CB 4.21Å; K264-V272 PolarHBondContact NZ-O 3.21Å
265	R	98.3	Very high	98.5	Very high	142 Å²	142	53.2 Å²	53.2	54%	0.536	24%	0.244	S	C	.	.	H	α-helix	trans	-79.5	-40.5	177.1	-171.3	-174.1	69.1	-119.7	3.8	111.6	K261 E262 V263	K261-R265 WeakPolarHBondContact O-CB 3.29Å; K261-R265 PolarHBondContact O-N 3.09Å; E262-R265 WeakPolarHBondContact O-CA 3.1Å; E262-R265 WeakPolarHBondContact O-CB 3.5Å; E262-R265 PolarHBondContact O-N 3.03Å; E262-R265 IonicContact OE1-CZ 3.41Å; E262-R265 IonicContact OE1-NH1 3.55Å; E262-R265 IonicContact OE1-NH2 3.27Å; E262-R265 PolarHBondContact OE1-NH2 3.39Å; E262-R265 IonicContact OE2-CZ 3.84Å; E262-R265 IonicContact OE2-NH1 2.87Å; E262-R265 PolarHBondContact OE2-NH1 3.29Å; E262-R265 IonicContact OE2-NH2 3.24Å; E262-R265 PolarHBondContact OE2-NH2 3.46Å; V263-R265 VanDerWaalsContact C-N 3.28Å; V263-R265 PolarHBondContact O-N 2.82Å
266	E	97.9	Very high	98.5	Very high	61 Å²	61	52.7 Å²	52.7	29%	0.285	24%	0.243	S	C	.	.	H	α-helix	trans	-79.1	-21	-179.1	-59.3	-54.8	137.5	0	0	112.9	N241 E262 V263 D268	N241-E266 HydrophobicContact CB-CB 4.32Å; N241-E266 PolarHBondContact ND2-O 3.18Å; E262-E266 PolarHBondContact O-N 2.97Å; V263-E266 PolarHBondContact O-N 2.78Å; E266-D268 PolarHBondContact O-N 3.43Å
267	T	98.4	Very high	98.5	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	25%	0.246	C	C	.	.			trans	-92.9	83.8	172.7	-49	0	0	0	0	108.8	L237 N241 V263 S270 V272	L237-T267 HydrophobicContact CD2-CG2 4.12Å; L237-T267 HydrophobicContact CG-CG2 4.13Å; N241-T267 PolarHBondContact ND2-N 3.29Å; N241-T267 PolarHBondContact ND2-OG1 3.35Å; V263-T267 WeakPolarHBondContact O-CB 3.32Å; V263-T267 PolarHBondContact O-N 2.96Å; V263-T267 PolarHBondContact O-OG1 3.18Å; T267-S270 VanDerWaalsContact O-O 3.06Å; T267-V272 HydrophobicContact CG2-CG2 3.73Å
268	D	97.3	Very high	98.4	Very high	120 Å²	120	54.8 Å²	54.8	64%	0.642	26%	0.257	S	S	*	.			trans	-96.4	-0.4	-168.4	63.5	-13.1	0	0	0	115	E266	E266-D268 PolarHBondContact O-N 3.43Å
269	L	98.4	Very high	98.4	Very high	75 Å²	75	59 Å²	59	39%	0.393	27%	0.27	S	S	.	.	S	Bend	trans	-103.7	-15.7	179.9	-61.1	178.7	0	0	0	114.2	Y221 L237	Y221-L269 HydrophobicContact CD1-CB 3.9Å; Y221-L269 HydrophobicContact CD1-CD1 3.71Å; Y221-L269 HydrophobicContact CD1-CG 4.42Å; Y221-L269 HydrophobicContact CD2-CB 3.58Å; Y221-L269 HydrophobicContact CE1-CB 4.15Å; Y221-L269 HydrophobicContact CE1-CD1 4.27Å; Y221-L269 HydrophobicContact CE2-CB 3.87Å; Y221-L269 WeakPolarHBondContact CE2-O 3.38Å; Y221-L269 HydrophobicContact CG-CB 3.61Å; Y221-L269 HydrophobicContact CG-CD1 4Å; Y221-L269 HydrophobicContact CG-CG 4.47Å; L237-L269 HydrophobicContact CD2-CB 4.04Å; L237-L269 HydrophobicContact CD2-CD1 4.06Å; L237-L269 HydrophobicContact CD2-CG 4.08Å
270	S	98.5	Very high	98.4	Very high	7 Å²	7	59.4 Å²	59.4	5%	0.049	27%	0.272	C	S	.	.	S	Bend	trans	-138.6	162.2	173.7	57.5	0	0	0	0	110.3	A213 C219 T267 V272	A213-S270 WeakPolarHBondContact O-CB 3.34Å; A213-S270 PolarHBondContact O-OG 2.9Å; C219-S270 WeakPolarHBondContact O-CB 3.37Å; T267-S270 VanDerWaalsContact O-O 3.06Å; S270-V272 PolarHBondContact O-N 3.18Å
271	H	98.7	Very high	98.3	Very high	109 Å²	109	58 Å²	58	51%	0.505	27%	0.266	S	S	.	.			trans	-96.1	93	-174.9	-59.5	91.7	0	0	0	110.8	A214 N215 E218 Q273	A214-H271 CarbonylContact C-O 3.38Å; N215-H271 HydrophobicContact CB-CB 4.45Å; N215-H271 PolarHBondContact N-O 3.11Å; E218-H271 WeakPolarHBondContact OE1-CA 3.49Å; E218-H271 VanDerWaalsContact OE1-CB 3.23Å; E218-H271 WeakPolarHBondContact OE1-CB 3.21Å; E218-H271 IonicContact OE1-CG 2.8Å; E218-H271 PolarHBondContact OE1-N 2.85Å; E218-H271 IonicContact OE1-ND1 3.88Å; E218-H271 PolarHBondContact OE1-ND1 3.29Å; E218-H271 IonicContact OE2-CE1 3.39Å; E218-H271 IonicContact OE2-CG 3.55Å; E218-H271 IonicContact OE2-ND1 3.29Å; E218-H271 PolarHBondContact OE2-ND1 3.49Å; H271-Q273 WeakPolarHBondContact O-CG 3.41Å; H271-Q273 PolarHBondContact O-N 3.34Å; H271-Q273 PolarHBondContact O-NE2 3.18Å
272	V	98.8	Very high	98.3	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	27%	0.272	C	S	.	.			trans	-53.5	125.4	172.8	-176.2	0	0	0	0	110.5	T212 Y238 Y260 V263 K264 T267 S270	T212-V272 VanDerWaalsContact O-CA 3.29Å; T212-V272 WeakPolarHBondContact O-CA 3.34Å; T212-V272 WeakPolarHBondContact O-CG1 3.34Å; Y238-V272 HydrophobicContact CD2-CG1 4.04Å; Y238-V272 HydrophobicContact CD2-CG2 3.82Å; Y238-V272 HydrophobicContact CE2-CG1 3.83Å; Y238-V272 HydrophobicContact CE2-CG2 4.45Å; Y260-V272 HydrophobicContact CD2-CG1 4.11Å; Y260-V272 HydrophobicContact CE2-CG1 3.88Å; V263-V272 HydrophobicContact CG1-CG2 4.48Å; K264-V272 HydrophobicContact CB-CB 4.04Å; K264-V272 HydrophobicContact CB-CG1 4.45Å; K264-V272 HydrophobicContact CG-CB 4.21Å; K264-V272 PolarHBondContact NZ-O 3.21Å; T267-V272 HydrophobicContact CG2-CG2 3.73Å; S270-V272 PolarHBondContact O-N 3.18Å
273	Q	98.7	Very high	98.3	Very high	51 Å²	51	58.9 Å²	58.9	24%	0.238	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	165.5	-179.9	-58	-59.7	-50.2	0	0	111.9	T211 T212 N215 H271 Y275	T211-Q273 VanDerWaalsContact CA-O 3.22Å; T211-Q273 WeakPolarHBondContact CA-O 3.46Å; T211-Q273 WeakPolarHBondContact CB-O 3.46Å; T212-Q273 PolarHBondContact N-O 2.73Å; T212-Q273 VanDerWaalsContact N-O 3.11Å; T212-Q273 PolarHBondContact O-N 2.69Å; T212-Q273 WeakPolarHBondContact OG1-CB 3.29Å; N215-Q273 HydrophobicContact CB-CG 3.87Å; H271-Q273 WeakPolarHBondContact O-CG 3.41Å; H271-Q273 PolarHBondContact O-N 3.34Å; H271-Q273 PolarHBondContact O-NE2 3.18Å; Q273-Y275 HydrophobicContact CB-CD2 4.31Å; Q273-Y275 HydrophobicContact CB-CE2 3.38Å; Q273-Y275 WeakPolarHBondContact CB-OH 3.35Å; Q273-Y275 HydrophobicContact CG-CE2 4.31Å; Q273-Y275 WeakPolarHBondContact CG-OH 3.46Å
274	R	98.5	Very high	98.3	Very high	67 Å²	67	64 Å²	64	25%	0.253	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.4	177.4	179.7	179.9	73.6	-179	18.7	110.7	Y209 A210 T211 D257 Y260	Y209-R274 HydrophobicContact CE1-CG 4.45Å; Y209-R274 VanDerWaalsContact CE2-CD 3.45Å; Y209-R274 HydrophobicContact CE2-CG 3.97Å; Y209-R274 WeakPolarHBondContact OH-CD 3.39Å; A210-R274 CarbonylContact O-C 3.54Å; A210-R274 VanDerWaalsContact O-CA 3.27Å; A210-R274 WeakPolarHBondContact O-CA 3.39Å; T211-R274 HydrophobicContact CG2-CB 4.28Å; T211-R274 HydrophobicContact CG2-CG 4.24Å; D257-R274 IonicContact OD1-CZ 2.94Å; D257-R274 IonicContact OD1-NH1 3.51Å; D257-R274 PolarHBondContact OD1-NH1 2.87Å; D257-R274 IonicContact OD2-NH1 3.46Å; Y260-R274 HydrophobicContact CD2-CB 4.12Å; Y260-R274 HydrophobicContact CE1-CB 4.38Å; Y260-R274 HydrophobicContact CE2-CB 3.68Å
275	Y	98.7	Very high	98.3	Very high	32 Å²	32	59.9 Å²	59.9	13%	0.125	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	170.5	-175.1	-54.6	-84.3	0	0	0	112.5	G195 F198 Q199 A210 T212 Q273	G195-Y275 VanDerWaalsContact CA-OH 3.29Å; G195-Y275 WeakPolarHBondContact CA-OH 3.5Å; G195-Y275 PolarHBondContact O-OH 2.84Å; F198-Y275 HydrophobicContact CB-CD1 4.05Å; F198-Y275 HydrophobicContact CB-CD2 3.66Å; F198-Y275 HydrophobicContact CB-CE2 4.28Å; F198-Y275 HydrophobicContact CB-CG 3.52Å; F198-Y275 AromaticContact CD2-CD2 3.94Å; F198-Y275 HydrophobicContact CD2-CD2 3.94Å; F198-Y275 HydrophobicContact CD2-CE2 4.49Å; F198-Y275 HydrophobicContact CG-CD2 4.22Å; F198-Y275 HydrophobicContact CG-CG 4.4Å; Q199-Y275 HydrophobicContact CB-CE1 3.87Å; A210-Y275 PolarHBondContact N-O 3.39Å; A210-Y275 VanDerWaalsContact N-O 3.1Å; A210-Y275 PolarHBondContact O-N 3.38Å; T212-Y275 HydrophobicContact CG2-CD2 4.24Å; T212-Y275 HydrophobicContact CG2-CE2 3.99Å; Q273-Y275 HydrophobicContact CB-CD2 4.31Å; Q273-Y275 HydrophobicContact CB-CE2 3.38Å; Q273-Y275 WeakPolarHBondContact CB-OH 3.35Å; Q273-Y275 HydrophobicContact CG-CE2 4.31Å; Q273-Y275 WeakPolarHBondContact CG-OH 3.46Å
276	G	98.5	Very high	98.2	Very high	14 Å²	14	53.4 Å²	53.4	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.8	-142.4	176	0	0	0	0	0	114	I208 T278	I208-G276 CarbonylContact O-C 3.43Å; I208-G276 WeakPolarHBondContact O-CA 3.3Å; G276-T278 PolarHBondContact O-N 3.03Å
277	D	98.3	Very high	98.2	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.059	24%	0.244	C	C	.	.			trans	-78	87.1	-179.8	-166.8	-9.9	0	0	0	111.2	S204 I208 R279 M280	S204-D277 VanDerWaalsContact O-CB 3.28Å; S204-D277 WeakPolarHBondContact O-CB 3.44Å; I208-D277 PolarHBondContact O-N 3.29Å; D277-R279 PolarHBondContact O-N 3.17Å; D277-R279 VanDerWaalsContact OD1-CB 3.25Å; D277-R279 WeakPolarHBondContact OD1-CB 3.11Å; D277-R279 WeakPolarHBondContact OD1-CG 3.46Å; D277-R279 IonicContact OD1-CZ 3.19Å; D277-R279 PolarHBondContact OD1-N 2.86Å; D277-R279 VanDerWaalsContact OD1-N 3.08Å; D277-R279 IonicContact OD1-NE 2.95Å; D277-R279 PolarHBondContact OD1-NE 2.9Å; D277-R279 IonicContact OD1-NH2 3.89Å; D277-R279 PolarHBondContact OD1-NH2 3.04Å; D277-R279 IonicContact OD2-CZ 3.02Å; D277-R279 IonicContact OD2-NE 3.58Å; D277-R279 PolarHBondContact OD2-NE 2.65Å; D277-R279 IonicContact OD2-NH2 3.65Å; D277-R279 PolarHBondContact OD2-NH2 2.84Å; D277-M280 HydrophobicContact CB-CG 4.08Å; D277-M280 HydrophobicContact CB-SD 4.01Å; D277-M280 VanDerWaalsContact O-CB 3.29Å; D277-M280 WeakPolarHBondContact O-CB 3.2Å; D277-M280 PolarHBondContact O-N 3.16Å
278	T	96.6	Very high	98.2	Very high	68 Å²	68	52.2 Å²	52.2	42%	0.417	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61.4	-15.6	179	58.7	0	0	0	0	114.2	G276 M280 G281	G276-T278 PolarHBondContact O-N 3.03Å; T278-M280 PolarHBondContact O-N 2.81Å; T278-G281 PolarHBondContact O-N 3.2Å
279	R	98.2	Very high	98.2	Very high	170 Å²	170	46.5 Å²	46.5	64%	0.642	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-67.5	-27.3	174.6	-57.7	169.4	-64.9	180	3.8	111.6	D277 G281 K282	D277-R279 PolarHBondContact O-N 3.17Å; D277-R279 VanDerWaalsContact OD1-CB 3.25Å; D277-R279 WeakPolarHBondContact OD1-CB 3.11Å; D277-R279 WeakPolarHBondContact OD1-CG 3.46Å; D277-R279 IonicContact OD1-CZ 3.19Å; D277-R279 PolarHBondContact OD1-N 2.86Å; D277-R279 VanDerWaalsContact OD1-N 3.08Å; D277-R279 IonicContact OD1-NE 2.95Å; D277-R279 PolarHBondContact OD1-NE 2.9Å; D277-R279 IonicContact OD1-NH2 3.89Å; D277-R279 PolarHBondContact OD1-NH2 3.04Å; D277-R279 IonicContact OD2-CZ 3.02Å; D277-R279 IonicContact OD2-NE 3.58Å; D277-R279 PolarHBondContact OD2-NE 2.65Å; D277-R279 IonicContact OD2-NH2 3.65Å; D277-R279 PolarHBondContact OD2-NH2 2.84Å; R279-G281 PolarHBondContact O-N 2.92Å; R279-G281 VanDerWaalsContact O-N 3.15Å; R279-K282 PolarHBondContact O-N 3.45Å
280	M	98.5	Very high	98.1	Very high	9 Å²	9	42.9 Å²	42.9	4%	0.044	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.8	-18.3	171.8	-67.4	177.2	55.8	0	0	112.3	K184 V186 Y209 L256 D277 T278 K282 L283 F288	K184-M280 HydrophobicContact CB-CE 3.77Å; K184-M280 HydrophobicContact CD-CE 4.41Å; K184-M280 HydrophobicContact CG-CE 4.5Å; V186-M280 HydrophobicContact CG2-CE 4.21Å; Y209-M280 HydrophobicContact CD2-CB 4.01Å; Y209-M280 HydrophobicContact CG-CB 4.38Å; L256-M280 WeakPolarHBondContact CD1-O 3.41Å; D277-M280 HydrophobicContact CB-CG 4.08Å; D277-M280 HydrophobicContact CB-SD 4.01Å; D277-M280 VanDerWaalsContact O-CB 3.29Å; D277-M280 WeakPolarHBondContact O-CB 3.2Å; D277-M280 PolarHBondContact O-N 3.16Å; T278-M280 PolarHBondContact O-N 2.81Å; M280-K282 PolarHBondContact O-N 3.48Å; M280-L283 HydrophobicContact CB-CD1 3.88Å; M280-L283 HydrophobicContact CB-CG 4.49Å; M280-L283 HydrophobicContact CE-CD1 4.34Å; M280-L283 HydrophobicContact CG-CD1 3.99Å; M280-L283 WeakPolarHBondContact O-CB 3.26Å; M280-L283 VanDerWaalsContact O-CG 3.29Å; M280-L283 WeakPolarHBondContact O-CG 3.05Å; M280-L283 PolarHBondContact O-N 3.22Å; M280-F288 HydrophobicContact CE-CE1 4.25Å; M280-F288 HydrophobicContact CE-CZ 3.78Å
281	G	98.4	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-52.9	-23	174.9	0	0	0	0	0	115.4	D257 T278 R279	D257-G281 VanDerWaalsContact CB-O 3.26Å; D257-G281 WeakPolarHBondContact CB-O 3.26Å; D257-G281 VanDerWaalsContact CG-CA 3.48Å; D257-G281 VanDerWaalsContact CG-O 3.32Å; D257-G281 PolarHBondContact N-O 3.34Å; D257-G281 WeakPolarHBondContact OD1-CA 3.3Å; T278-G281 PolarHBondContact O-N 3.2Å; R279-G281 PolarHBondContact O-N 2.92Å; R279-G281 VanDerWaalsContact O-N 3.15Å
282	K	98.4	Very high	97.5	Very high	168 Å²	168	44.4 Å²	44.4	73%	0.73	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-82	-14.8	176.8	-61.6	-179.3	-178.7	-179.6	0	114	R279 M280	R279-K282 PolarHBondContact O-N 3.45Å; M280-K282 PolarHBondContact O-N 3.48Å
283	L	98.4	Very high	96.6	Very high	41 Å²	41	47.9 Å²	47.9	22%	0.215	22%	0.215	C	C	.	.	S	Bend	trans	-70.8	154.8	177.6	-59.5	176.3	0	0	0	110.5	K184 T255 L256 M280 E287 F288	K184-L283 HydrophobicContact CD-CD1 3.25Å; T255-L283 CarbonylContact C-O 3.14Å; T255-L283 VanDerWaalsContact CA-O 3.24Å; T255-L283 WeakPolarHBondContact CA-O 3.41Å; T255-L283 WeakPolarHBondContact CB-O 3.46Å; L256-L283 HydrophobicContact CD1-CB 4.45Å; L256-L283 PolarHBondContact N-O 3.26Å; M280-L283 HydrophobicContact CB-CD1 3.88Å; M280-L283 HydrophobicContact CB-CG 4.49Å; M280-L283 HydrophobicContact CE-CD1 4.34Å; M280-L283 HydrophobicContact CG-CD1 3.99Å; M280-L283 WeakPolarHBondContact O-CB 3.26Å; M280-L283 VanDerWaalsContact O-CG 3.29Å; M280-L283 WeakPolarHBondContact O-CG 3.05Å; M280-L283 PolarHBondContact O-N 3.22Å; L283-E287 WeakPolarHBondContact CB-OE1 3.31Å; L283-F288 HydrophobicContact CB-CE2 4.29Å; L283-F288 HydrophobicContact CD1-CE2 4.24Å; L283-F288 HydrophobicContact CD1-CZ 4.11Å
284	Y	98.4	Very high	95	Very high	109 Å²	109	49.4 Å²	49.4	43%	0.427	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-80	143	179.2	-68.6	-67.5	0	0	0	110.9	T252 R254 T255 S286 E287	T252-Y284 VanDerWaalsContact O-CD1 3.32Å; T252-Y284 WeakPolarHBondContact O-CD1 3.4Å; T252-Y284 WeakPolarHBondContact O-CE1 3.46Å; R254-Y284 CarbonylContact O-C 3.59Å; R254-Y284 WeakPolarHBondContact O-CA 3.24Å; T255-Y284 HydrophobicContact CG2-CD1 4.05Å; T255-Y284 HydrophobicContact CG2-CE1 4Å; Y284-S286 WeakPolarHBondContact CB-OG 3.18Å; Y284-S286 PolarHBondContact O-N 3.5Å; Y284-E287 PolarHBondContact N-OE1 2.83Å; Y284-E287 VanDerWaalsContact N-OE1 3.07Å; Y284-E287 WeakPolarHBondContact O-CB 3.47Å; Y284-E287 PolarHBondContact O-N 2.85Å; Y284-E287 VanDerWaalsContact O-N 3.08Å
285	V	98.3	Very high	92.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.1	175.5	-179.8	0	0	0	0	110.1	L251 R254 L256 Q259 E287 F288 Q289	L251-V285 HydrophobicContact CB-CB 4.29Å; L251-V285 HydrophobicContact CD1-CG1 4.14Å; L251-V285 HydrophobicContact CD2-CB 4.17Å; L251-V285 HydrophobicContact CD2-CG1 3.97Å; L251-V285 HydrophobicContact CG-CG1 4.44Å; R254-V285 HydrophobicContact CB-CG2 4.34Å; R254-V285 HydrophobicContact CG-CG2 4.1Å; R254-V285 WeakPolarHBondContact O-CG2 3.02Å; R254-V285 PolarHBondContact O-N 3.26Å; L256-V285 HydrophobicContact CD2-CG2 4.19Å; Q259-V285 HydrophobicContact CB-CG2 4.08Å; V285-E287 PolarHBondContact O-N 3.44Å; V285-F288 PolarHBondContact O-N 2.55Å; V285-Q289 HydrophobicContact CG1-CB 4.01Å; V285-Q289 HydrophobicContact CG1-CG 3.96Å; V285-Q289 PolarHBondContact O-N 3.29Å
286	S	97.5	Very high	90.5	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-24.1	178.1	52.8	0	0	0	0	114.8	K37 L251 T252 Y284 F288 G290	K37-S286 WeakPolarHBondContact CD-O 3.4Å; K37-S286 VanDerWaalsContact CE-O 3.25Å; K37-S286 WeakPolarHBondContact CE-O 3.18Å; K37-S286 PolarHBondContact NZ-O 2.96Å; L251-S286 WeakPolarHBondContact O-CB 3.37Å; L251-S286 PolarHBondContact O-N 3.14Å; L251-S286 PolarHBondContact O-OG 3.42Å; T252-S286 WeakPolarHBondContact CA-OG 3.48Å; Y284-S286 WeakPolarHBondContact CB-OG 3.18Å; Y284-S286 PolarHBondContact O-N 3.5Å; S286-F288 PolarHBondContact O-N 3.18Å; S286-G290 WeakPolarHBondContact CA-O 3.29Å; S286-G290 VanDerWaalsContact CB-O 3.27Å; S286-G290 WeakPolarHBondContact CB-O 3.27Å; S286-G290 CarbonylContact O-C 3.53Å; S286-G290 PolarHBondContact O-N 3.36Å
287	E	97	Very high	88.2	Confident	38 Å²	38	56 Å²	56	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-26.1	174.5	-68.4	177.6	-121.4	0	0	111.5	K37 K184 L283 Y284 V285	K37-E287 WeakPolarHBondContact CD-O 3.28Å; K37-E287 WeakPolarHBondContact CG-O 3.22Å; K184-E287 IonicContact NZ-OE2 3.58Å; K184-E287 PolarHBondContact NZ-OE2 2.65Å; L283-E287 WeakPolarHBondContact CB-OE1 3.31Å; Y284-E287 PolarHBondContact N-OE1 2.83Å; Y284-E287 VanDerWaalsContact N-OE1 3.07Å; Y284-E287 WeakPolarHBondContact O-CB 3.47Å; Y284-E287 PolarHBondContact O-N 2.85Å; Y284-E287 VanDerWaalsContact O-N 3.08Å; V285-E287 PolarHBondContact O-N 3.44Å
288	F	98.4	Very high	85.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-114.3	-33.4	-174.2	-56.5	-81.6	0	0	0	113.3	I69 D143 F145 K184 V186 L256 M280 L283 V285 S286	I69-F288 WeakPolarHBondContact CD1-O 3.34Å; D143-F288 HydrophobicContact CB-CD1 4.07Å; D143-F288 HydrophobicContact CB-CE1 3.99Å; F145-F288 HydrophobicContact CB-CB 4.28Å; K184-F288 HydrophobicContact CB-CE1 3.69Å; K184-F288 HydrophobicContact CB-CZ 3.79Å; K184-F288 HydrophobicContact CD-CZ 4.24Å; V186-F288 HydrophobicContact CB-CB 4.44Å; V186-F288 HydrophobicContact CB-CD1 3.88Å; V186-F288 HydrophobicContact CB-CE1 4.28Å; V186-F288 HydrophobicContact CB-CG 4.02Å; V186-F288 HydrophobicContact CG2-CB 4.41Å; V186-F288 HydrophobicContact CG2-CD1 3.48Å; V186-F288 VanDerWaalsContact CG2-CD1 3.48Å; V186-F288 HydrophobicContact CG2-CD2 3.65Å; V186-F288 HydrophobicContact CG2-CE1 3.5Å; V186-F288 HydrophobicContact CG2-CE2 3.68Å; V186-F288 HydrophobicContact CG2-CG 3.55Å; V186-F288 HydrophobicContact CG2-CZ 3.6Å; L256-F288 HydrophobicContact CD1-CD2 4.23Å; L256-F288 HydrophobicContact CD1-CE2 3.8Å; L256-F288 HydrophobicContact CD2-CD2 4.41Å; M280-F288 HydrophobicContact CE-CE1 4.25Å; M280-F288 HydrophobicContact CE-CZ 3.78Å; L283-F288 HydrophobicContact CB-CE2 4.29Å; L283-F288 HydrophobicContact CD1-CE2 4.24Å; L283-F288 HydrophobicContact CD1-CZ 4.11Å; V285-F288 PolarHBondContact O-N 2.55Å; S286-F288 PolarHBondContact O-N 3.18Å
289	Q	97.8	Very high	83.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-113.4	9	-171.4	-59.3	-172.3	16.5	0	0	113.9	L64 K67 F145 S246 L251 V285	L64-Q289 HydrophobicContact CD2-CB 3.63Å; L64-Q289 HydrophobicContact CD2-CG 3.92Å; K67-Q289 WeakPolarHBondContact CB-O 3.31Å; F145-Q289 HydrophobicContact CD1-CG 4.29Å; F145-Q289 HydrophobicContact CD2-CG 4.41Å; F145-Q289 HydrophobicContact CE1-CG 4.41Å; F145-Q289 HydrophobicContact CG-CG 4.29Å; S246-Q289 VanDerWaalsContact CB-OE1 3.24Å; S246-Q289 PolarHBondContact OG-OE1 2.56Å; L251-Q289 HydrophobicContact CD1-CB 3.96Å; V285-Q289 HydrophobicContact CG1-CB 4.01Å; V285-Q289 HydrophobicContact CG1-CG 3.96Å; V285-Q289 PolarHBondContact O-N 3.29Å
290	G	96.1	Very high	81.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.314	C	S	.	.			trans	98.2	148.7	176.7	0	0	0	0	0	113.6	D34 K67 S286	D34-G290 WeakPolarHBondContact OD1-CA 3.14Å; K67-G290 CarbonylContact O-C 3.59Å; K67-G290 WeakPolarHBondContact O-CA 3.42Å; S286-G290 WeakPolarHBondContact CA-O 3.29Å; S286-G290 VanDerWaalsContact CB-O 3.27Å; S286-G290 WeakPolarHBondContact CB-O 3.27Å; S286-G290 CarbonylContact O-C 3.53Å; S286-G290 PolarHBondContact O-N 3.36Å
291	S	93.2	Very high	80.4	Confident	15 Å²	15	67 Å²	67	11%	0.105	34%	0.34	C	S	.	.			trans	-109	-2	-174.5	36.2	0	0	0	0	114.7	V32 D34 K37 K67 D293	V32-S291 PolarHBondContact O-OG 3.44Å; D34-S291 PolarHBondContact OD1-N 3.08Å; D34-S291 PolarHBondContact OD1-OG 3Å; K37-S291 PolarHBondContact NZ-OG 3.2Å; K67-S291 PolarHBondContact O-N 3.28Å; K67-S291 VanDerWaalsContact O-N 3.08Å; S291-D293 PolarHBondContact O-N 3.4Å; S291-D293 VanDerWaalsContact O-N 3.09Å
292	R	91.1	Very high	79.3	Confident	132 Å²	132	72 Å²	72	50%	0.498	37%	0.372	S	S	.	.			trans	-67.2	114.5	179.6	-170.8	175.5	69.2	-177.2	1.4	110.2	R65 S66 K67 K294	R65-R292 PolarHBondContact O-NH2 3.18Å; S66-R292 VanDerWaalsContact C-NH2 3.29Å; S66-R292 VanDerWaalsContact O-CZ 3.26Å; S66-R292 PolarHBondContact O-NE 2.04Å; S66-R292 PolarHBondContact O-NH2 2.9Å; K67-R292 VanDerWaalsContact C-CB 3.49Å; K67-R292 VanDerWaalsContact O-CB 3.32Å; K67-R292 WeakPolarHBondContact O-CB 3.07Å; K67-R292 PolarHBondContact O-N 3.08Å; R292-K294 PolarHBondContact O-N 3.17Å
293	D	80.4	Confident	78.5	Confident	75 Å²	75	66.3 Å²	66.3	40%	0.401	35%	0.352	S	S	.	.			trans	-71.1	116.4	165.7	-68.8	-35.4	0	0	0	108.3	H250 S291 S295	H250-D293 IonicContact CD2-OD1 3.2Å; H250-D293 PolarHBondContact CD2-OD1 3.46Å; H250-D293 IonicContact CG-OD1 3.44Å; S291-D293 PolarHBondContact O-N 3.4Å; S291-D293 VanDerWaalsContact O-N 3.09Å; D293-S295 PolarHBondContact O-N 3.09Å
294	K	64.6	Low	78.3	Confident	82 Å²	82	66.2 Å²	66.2	36%	0.357	35%	0.351	S	S	.	.			trans	-68.6	116.9	171.1	-172.3	179.3	173.9	-177.3	0	106.4	R292 S296 D300	R292-K294 PolarHBondContact O-N 3.17Å; K294-S296 WeakPolarHBondContact CE-O 3.29Å; K294-S296 PolarHBondContact O-N 3.16Å; K294-D300 IonicContact NZ-OD1 3.07Å; K294-D300 PolarHBondContact NZ-OD1 3.04Å; K294-D300 IonicContact NZ-OD2 2.75Å; K294-D300 PolarHBondContact NZ-OD2 2.95Å
295	S	51.9	Low	78.1	Confident	125 Å²	125	68.6 Å²	68.6	87%	0.874	36%	0.364	S	S	*	.	S	Bend	trans	-64.5	-4.3	-174.5	55.3	0	0	0	0	115.1	D293	D293-S295 PolarHBondContact O-N 3.09Å
296	S	49.7	Very low	77.9	Confident	44 Å²	44	70 Å²	70	31%	0.308	37%	0.372	S	S	.	.			trans	-156.2	114.9	167.8	45.9	0	0	0	0	110.5	K294	K294-S296 WeakPolarHBondContact CE-O 3.29Å; K294-S296 PolarHBondContact O-N 3.16Å
297	S	50.6	Low	77.9	Confident	83 Å²	83	75.6 Å²	75.6	58%	0.58	39%	0.393	S	S	*	.			trans	-80.3	-6.6	157.4	55.5	0	0	0	0	111.8	N299 D300	S297-N299 PolarHBondContact O-N 3.09Å; S297-D300 PolarHBondContact O-N 3.07Å
298	E	46.7	Very low	77.9	Confident	177 Å²	177	78.7 Å²	78.7	83%	0.827	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.6	-174.2	-68.4	-176.1	164.9	0	0	114.5
299	N	50	Low	77.9	Confident	144 Å²	144	80.4 Å²	80.4	77%	0.77	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-5.6	178.4	-67.6	-35.4	0	0	0	114.1	S297	S297-N299 PolarHBondContact O-N 3.09Å
300	D	63.3	Low	77.9	Confident	45 Å²	45	82.5 Å²	82.5	24%	0.241	43%	0.43	C	S	.	.	S	Bend	trans	-86.8	127.9	173.6	-69.4	-25.2	0	0	0	108.3	K294 S297	K294-D300 IonicContact NZ-OD1 3.07Å; K294-D300 PolarHBondContact NZ-OD1 3.04Å; K294-D300 IonicContact NZ-OD2 2.75Å; K294-D300 PolarHBondContact NZ-OD2 2.95Å; S297-D300 PolarHBondContact O-N 3.07Å
301	E	68.4	Low	78	Confident	124 Å²	124	83.2 Å²	83.2	58%	0.579	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-54	140.2	170.8	-77.8	-177.8	161.1	0	0	110.3	N99	N99-E301 VanDerWaalsContact CB-OE2 3.23Å; N99-E301 WeakPolarHBondContact CB-OE2 3.35Å; N99-E301 PolarHBondContact ND2-OE2 2.67Å
302	P	75.7	Confident	78.2	Confident	105 Å²	105	82.6 Å²	82.6	68%	0.682	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-59.3	139.1	178.2	25.5	-33.2	0	0	0	109.2
303	P	82.1	Confident	78.4	Confident	48 Å²	48	78.2 Å²	78.2	31%	0.312	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-56.7	144.2	176.8	-18.2	25.7	0	0	0	111.6	V244 T248	V244-P303 HydrophobicContact CB-CB 4.2Å; V244-P303 HydrophobicContact CB-CG 4.45Å; V244-P303 HydrophobicContact CG1-CB 3.27Å; V244-P303 HydrophobicContact CG1-CG 3.37Å; V244-P303 HydrophobicContact CG2-CB 3.84Å; V244-P303 HydrophobicContact CG2-CG 4.38Å; T248-P303 HydrophobicContact CG2-CG 3.36Å
304	M	92.3	Very high	79.2	Confident	39 Å²	39	77.4 Å²	77.4	19%	0.192	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-84.7	138.2	-179.9	-168.9	170.2	-55.5	0	0	110.4	D97 Y98 N99 F224 Y240 P306	D97-M304 HydrophobicContact CB-CB 4.45Å; Y98-M304 HydrophobicContact CD2-SD 3.52Å; Y98-M304 VanDerWaalsContact CD2-SD 3.52Å; Y98-M304 HydrophobicContact CG-SD 4.11Å; N99-M304 WeakPolarHBondContact OD1-CE 3.05Å; F224-M304 HydrophobicContact CD1-SD 4.49Å; F224-M304 HydrophobicContact CE1-CB 4.06Å; F224-M304 HydrophobicContact CE1-CG 3.93Å; F224-M304 HydrophobicContact CE1-SD 4.01Å; F224-M304 HydrophobicContact CZ-CB 4.17Å; F224-M304 HydrophobicContact CZ-CG 4.49Å; Y240-M304 WeakPolarHBondContact CE1-O 3.3Å; Y240-M304 PolarHBondContact OH-N 3.16Å; Y240-M304 VanDerWaalsContact OH-N 3.11Å; Y240-M304 PolarHBondContact OH-O 2.89Å; M304-P306 WeakPolarHBondContact O-CD 3.3Å
305	K	94.2	Very high	80.8	Confident	159 Å²	159	73.5 Å²	73.5	69%	0.691	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-64	128.3	169.9	-171.2	170.8	-177.3	171.8	0	110
306	P	96.1	Very high	82.9	Confident	28 Å²	28	68.4 Å²	68.4	18%	0.182	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-49.9	138.7	173.3	-32.1	38.6	0	0	0	113	T223 F224 L237 Y240 M304	T223-P306 HydrophobicContact CG2-CB 3.98Å; T223-P306 HydrophobicContact CG2-CG 4.47Å; T223-P306 WeakPolarHBondContact OG1-CB 3.48Å; F224-P306 HydrophobicContact CZ-CB 4.49Å; F224-P306 HydrophobicContact CZ-CG 4.39Å; L237-P306 HydrophobicContact CD1-CB 3.42Å; L237-P306 VanDerWaalsContact CD1-CB 3.42Å; L237-P306 HydrophobicContact CD1-CG 3.77Å; Y240-P306 HydrophobicContact CD1-CG 3.85Å; Y240-P306 HydrophobicContact CE1-CG 4.3Å; M304-P306 WeakPolarHBondContact O-CD 3.3Å
307	R	96.1	Very high	85.2	Confident	125 Å²	125	67.8 Å²	67.8	47%	0.472	35%	0.35	S	S	.	.			trans	-158.6	160.1	177.8	59.1	179.6	172	163.1	-0.6	111.4	Y98 T223 F224	Y98-R307 HydrophobicContact CE2-CG 3.81Å; T223-R307 PolarHBondContact OG1-N 2.57Å; T223-R307 VanDerWaalsContact OG1-N 3.15Å; T223-R307 PolarHBondContact OG1-O 3.5Å; F224-R307 WeakPolarHBondContact CA-O 3.39Å; F224-R307 PolarHBondContact N-O 3.49Å
308	H	97.5	Very high	87.4	Confident	102 Å²	102	65.6 Å²	65.6	47%	0.472	33%	0.331	S	S	.	.	S	Bend	trans	59.9	52.3	-174.6	-43.3	130	0	0	0	111.2	Y98 C225	Y98-H308 AromaticContact CE2-ND1 3.75Å; Y98-H308 AromaticContact CZ-ND1 3.64Å; Y98-H308 PolarHBondContact OH-ND1 3.24Å; C225-H308 WeakPolarHBondContact CB-O 3.33Å; C225-H308 PolarHBondContact N-O 3.39Å; C225-H308 PolarHBondContact SG-O 3.06Å
309	S	98.4	Very high	89.8	Confident	36 Å²	36	57.3 Å²	57.3	25%	0.252	29%	0.292	S	S	.	.			trans	-83.1	143.1	-177.2	-54.9	0	0	0	0	112.1	S222 T223	S222-S309 CarbonylContact O-C 3.45Å; S222-S309 WeakPolarHBondContact O-CA 3.35Å; S222-S309 VanDerWaalsContact O-CB 3.22Å; S222-S309 WeakPolarHBondContact O-CB 3.18Å; T223-S309 PolarHBondContact OG1-OG 3.4Å; T223-S309 VanDerWaalsContact OG1-OG 3.06Å
310	I	98.3	Very high	92.1	Very high	45 Å²	45	51 Å²	51	23%	0.231	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.6	-177	-58.7	-66.1	0	0	0	108.2	S222 C225 S312 D314 I315 H318	S222-I310 PolarHBondContact N-O 3.05Å; S222-I310 PolarHBondContact O-N 3.3Å; C225-I310 HydrophobicContact CB-CG1 3.88Å; I310-S312 PolarHBondContact O-N 3.33Å; I310-D314 HydrophobicContact CG2-CB 4.03Å; I310-I315 HydrophobicContact CG2-CG1 4.12Å; I310-H318 HydrophobicContact CG2-CB 4.33Å
311	A	98	Very high	93.7	Very high	15 Å²	15	53.7 Å²	53.7	12%	0.124	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	137.2	174.8	0	0	0	0	0	110.1	Y221 R313 D314	Y221-A311 HydrophobicContact CD1-CB 4.11Å; Y221-A311 HydrophobicContact CE1-CB 3.72Å; A311-R313 PolarHBondContact O-N 3.39Å; A311-D314 PolarHBondContact O-N 3.34Å
312	S	97.2	Very high	95.1	Very high	2 Å²	2	50 Å²	50	1%	0.014	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-54.8	-30.3	-171.7	-57.4	0	0	0	0	113.7	N192 S220 I310 D314	N192-S312 WeakPolarHBondContact OD1-CB 3.4Å; S220-S312 VanDerWaalsContact C-OG 3.3Å; S220-S312 PolarHBondContact O-N 3.47Å; S220-S312 VanDerWaalsContact O-N 3.15Å; S220-S312 PolarHBondContact O-OG 2.94Å; S220-S312 PolarHBondContact OG-OG 3.03Å; S220-S312 VanDerWaalsContact OG-OG 3.1Å; I310-S312 PolarHBondContact O-N 3.33Å; S312-D314 PolarHBondContact O-N 3.3Å
313	R	95.9	Very high	96.1	Very high	40 Å²	40	46.5 Å²	46.5	15%	0.151	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-68.1	-29.8	178.5	-66.3	-178.1	174.5	130.1	7.5	114.4	E193 C219 A311 P398 G401 G402	E193-R313 IonicContact OE1-CZ 3.6Å; E193-R313 IonicContact OE1-NH1 2.72Å; E193-R313 PolarHBondContact OE1-NH1 3.07Å; E193-R313 IonicContact OE1-NH2 3.31Å; E193-R313 PolarHBondContact OE1-NH2 3.32Å; E193-R313 IonicContact OE2-CZ 3.75Å; E193-R313 IonicContact OE2-NH2 2.67Å; E193-R313 PolarHBondContact OE2-NH2 3.45Å; C219-R313 VanDerWaalsContact SG-CZ 3.51Å; C219-R313 PolarHBondContact SG-NH1 3.01Å; A311-R313 PolarHBondContact O-N 3.39Å; R313-P398 HydrophobicContact CB-CB 4.47Å; R313-P398 HydrophobicContact CG-CB 4.43Å; R313-G401 VanDerWaalsContact NH2-C 3.31Å; R313-G402 VanDerWaalsContact CZ-N 3.27Å; R313-G402 VanDerWaalsContact NH2-N 3.15Å
314	D	97	Very high	96.9	Very high	58 Å²	58	44.7 Å²	44.7	31%	0.31	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-91.8	-5.4	-173.7	-68.5	-47.2	0	0	0	113	I310 A311 S312 L317 H318 R347	I310-D314 HydrophobicContact CG2-CB 4.03Å; A311-D314 PolarHBondContact O-N 3.34Å; S312-D314 PolarHBondContact O-N 3.3Å; D314-L317 PolarHBondContact O-N 2.79Å; D314-L317 VanDerWaalsContact O-N 3.08Å; D314-H318 PolarHBondContact O-N 2.86Å; D314-R347 IonicContact OD1-CZ 3.59Å; D314-R347 IonicContact OD1-NH1 2.73Å; D314-R347 PolarHBondContact OD1-NH1 2.89Å; D314-R347 IonicContact OD1-NH2 3.24Å
315	I	97.5	Very high	97.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-41.2	-174.5	-65.8	170.5	0	0	0	113.8	P49 S222 I310 L317 H318 T319	P49-I315 VanDerWaalsContact O-CG2 3.3Å; P49-I315 WeakPolarHBondContact O-CG2 3.01Å; S222-I315 VanDerWaalsContact CB-CD1 3.49Å; S222-I315 WeakPolarHBondContact OG-CD1 2.98Å; I310-I315 HydrophobicContact CG2-CG1 4.12Å; I315-L317 VanDerWaalsContact C-N 3.26Å; I315-L317 PolarHBondContact O-N 3.39Å; I315-H318 PolarHBondContact O-N 3.11Å; I315-T319 VanDerWaalsContact O-CB 3.31Å; I315-T319 WeakPolarHBondContact O-CB 3.15Å; I315-T319 PolarHBondContact O-N 3.45Å; I315-T319 PolarHBondContact O-OG1 2.94Å
316	P	96.2	Very high	97.1	Very high	17 Å²	17	44.5 Å²	44.5	11%	0.11	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-35.8	175.9	-26.2	36.1	0	0	0	113.3	L320 P398	P316-L320 PolarHBondContact O-N 2.8Å; P316-P398 HydrophobicContact CG-CG 4Å
317	L	97.1	Very high	97	Very high	32 Å²	32	44.8 Å²	44.8	17%	0.168	22%	0.217	C	C	.	.	H	α-helix	trans	-76.4	-43	177.2	-61.8	180	0	0	0	111.2	D314 I315 T319 L320 H321 L340 K343 L344	D314-L317 PolarHBondContact O-N 2.79Å; D314-L317 VanDerWaalsContact O-N 3.08Å; I315-L317 VanDerWaalsContact C-N 3.26Å; I315-L317 PolarHBondContact O-N 3.39Å; L317-T319 VanDerWaalsContact C-N 3.29Å; L317-T319 PolarHBondContact O-N 3.41Å; L317-L320 PolarHBondContact O-N 2.84Å; L317-H321 WeakPolarHBondContact O-CB 3.46Å; L317-H321 PolarHBondContact O-N 2.95Å; L317-L340 HydrophobicContact CD2-CD1 3.88Å; L317-K343 HydrophobicContact CD2-CB 3.73Å; L317-K343 HydrophobicContact CD2-CD 4.24Å; L317-L344 HydrophobicContact CD1-CD2 4.07Å; L317-L344 HydrophobicContact CD2-CD2 4.35Å
318	H	97.7	Very high	96.9	Very high	36 Å²	36	47.1 Å²	47.1	17%	0.167	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-44.4	173	178.2	70.1	0	0	0	111.6	C225 I310 D314 I315 L320 H321 R322	C225-H318 WeakPolarHBondContact CB-NE2 3.26Å; C225-H318 PolarHBondContact O-NE2 2.85Å; I310-H318 HydrophobicContact CG2-CB 4.33Å; D314-H318 PolarHBondContact O-N 2.86Å; I315-H318 PolarHBondContact O-N 3.11Å; H318-L320 PolarHBondContact O-N 2.88Å; H318-H321 WeakPolarHBondContact O-CB 3.47Å; H318-H321 PolarHBondContact O-N 3.08Å; H318-R322 VanDerWaalsContact NE2-CD 3.29Å; H318-R322 WeakPolarHBondContact NE2-CD 3.46Å; H318-R322 WeakPolarHBondContact O-CG 3.3Å; H318-R322 PolarHBondContact O-N 3.38Å
319	T	97.9	Very high	96.8	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-49.2	179.1	-57.7	0	0	0	0	111.3	Y48 P49 T231 T232 I315 L317 H321 R322 Q323	Y48-T319 HydrophobicContact CD1-CG2 4.32Å; Y48-T319 HydrophobicContact CE1-CG2 4.41Å; P49-T319 HydrophobicContact CG-CG2 4.39Å; T231-T319 VanDerWaalsContact O-CA 3.29Å; T231-T319 WeakPolarHBondContact O-CA 3.49Å; T232-T319 PolarHBondContact OG1-OG1 2.94Å; I315-T319 VanDerWaalsContact O-CB 3.31Å; I315-T319 WeakPolarHBondContact O-CB 3.15Å; I315-T319 PolarHBondContact O-N 3.45Å; I315-T319 PolarHBondContact O-OG1 2.94Å; L317-T319 VanDerWaalsContact C-N 3.29Å; L317-T319 PolarHBondContact O-N 3.41Å; T319-H321 VanDerWaalsContact C-N 3.33Å; T319-H321 PolarHBondContact O-N 2.59Å; T319-R322 PolarHBondContact O-N 3.33Å; T319-Q323 VanDerWaalsContact O-CG 3.32Å; T319-Q323 WeakPolarHBondContact O-CG 3.23Å; T319-Q323 PolarHBondContact O-N 3.26Å
320	L	97.5	Very high	96.7	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-42.2	175.4	-76.6	175.9	0	0	0	112	P316 L317 H318 R322 Q323 I324 L336 I339 L340 K343	P316-L320 PolarHBondContact O-N 2.8Å; L317-L320 PolarHBondContact O-N 2.84Å; H318-L320 PolarHBondContact O-N 2.88Å; L320-R322 VanDerWaalsContact C-N 3.33Å; L320-R322 PolarHBondContact O-N 2.82Å; L320-Q323 PolarHBondContact O-N 2.82Å; L320-I324 WeakPolarHBondContact O-CD1 3.47Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 2.99Å; L320-I324 PolarHBondContact O-N 3.03Å; L320-L336 HydrophobicContact CD2-CD2 4.11Å; L320-I339 HydrophobicContact CD1-CG2 3.87Å; L320-I339 HydrophobicContact CD2-CB 4.46Å; L320-I339 HydrophobicContact CD2-CG2 3.88Å; L320-L340 HydrophobicContact CB-CD1 4.43Å; L320-L340 HydrophobicContact CD1-CB 4.28Å; L320-L340 HydrophobicContact CD1-CD1 4.29Å; L320-K343 HydrophobicContact CD1-CD 3.49Å; L320-K343 VanDerWaalsContact CD1-CD 3.49Å; L320-K343 HydrophobicContact CD1-CG 4.14Å
321	H	97.7	Very high	96.7	Very high	102 Å²	102	52.7 Å²	52.7	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-59	-46	177.3	180	68.9	0	0	0	111.1	L317 H318 T319 Q323 I324 M325	L317-H321 WeakPolarHBondContact O-CB 3.46Å; L317-H321 PolarHBondContact O-N 2.95Å; H318-H321 WeakPolarHBondContact O-CB 3.47Å; H318-H321 PolarHBondContact O-N 3.08Å; T319-H321 VanDerWaalsContact C-N 3.33Å; T319-H321 PolarHBondContact O-N 2.59Å; H321-Q323 PolarHBondContact O-N 3.49Å; H321-I324 PolarHBondContact O-N 2.74Å; H321-M325 VanDerWaalsContact O-CG 3.26Å; H321-M325 WeakPolarHBondContact O-CG 3.39Å; H321-M325 PolarHBondContact O-N 3.27Å
322	R	97.7	Very high	96.6	Very high	47 Å²	47	55.6 Å²	55.6	18%	0.177	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-44.5	175.1	-69.7	-166.8	67.9	74.9	4.8	112.1	C225 D227 T231 H318 T319 L320 I324 M325 M326	C225-R322 VanDerWaalsContact O-CD 3.32Å; C225-R322 WeakPolarHBondContact O-CD 3.25Å; D227-R322 PolarHBondContact O-NH2 3.19Å; T231-R322 HydrophobicContact CG2-CB 4.19Å; T231-R322 WeakPolarHBondContact O-CB 3.31Å; T231-R322 WeakPolarHBondContact O-CD 3.43Å; H318-R322 VanDerWaalsContact NE2-CD 3.29Å; H318-R322 WeakPolarHBondContact NE2-CD 3.46Å; H318-R322 WeakPolarHBondContact O-CG 3.3Å; H318-R322 PolarHBondContact O-N 3.38Å; T319-R322 PolarHBondContact O-N 3.33Å; L320-R322 VanDerWaalsContact C-N 3.33Å; L320-R322 PolarHBondContact O-N 2.82Å; R322-I324 VanDerWaalsContact C-N 3.34Å; R322-I324 PolarHBondContact O-N 3.27Å; R322-M325 PolarHBondContact O-N 3.2Å; R322-M326 HydrophobicContact CB-SD 4.39Å; R322-M326 VanDerWaalsContact O-CB 3.31Å; R322-M326 WeakPolarHBondContact O-CB 3.18Å; R322-M326 VanDerWaalsContact O-CG 3.24Å; R322-M326 WeakPolarHBondContact O-CG 3.38Å; R322-M326 PolarHBondContact O-N 2.88Å
323	Q	97	Very high	96.6	Very high	30 Å²	30	59.8 Å²	59.8	14%	0.14	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-43.8	176.3	-70.6	173.9	-16.3	0	0	112.3	M87 T231 T319 L320 H321 M325 M326 T327 L336	M87-Q323 PolarHBondContact SD-NE2 3.08Å; T231-Q323 HydrophobicContact CG2-CG 3.76Å; T231-Q323 WeakPolarHBondContact OG1-CG 3.39Å; T319-Q323 VanDerWaalsContact O-CG 3.32Å; T319-Q323 WeakPolarHBondContact O-CG 3.23Å; T319-Q323 PolarHBondContact O-N 3.26Å; L320-Q323 PolarHBondContact O-N 2.82Å; H321-Q323 PolarHBondContact O-N 3.49Å; Q323-M325 VanDerWaalsContact C-N 3.32Å; Q323-M325 PolarHBondContact O-N 3.1Å; Q323-M326 PolarHBondContact O-N 3.04Å; Q323-T327 WeakPolarHBondContact O-CG2 3.39Å; Q323-T327 PolarHBondContact O-N 3.15Å; Q323-L336 HydrophobicContact CB-CD1 3.83Å; Q323-L336 HydrophobicContact CB-CD2 4.28Å
324	I	97.5	Very high	96.7	Very high	11 Å²	11	60.9 Å²	60.9	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-39.4	176.6	-69.6	163.5	0	0	0	111.6	L320 H321 R322 K333 L336 M337 L340	L320-I324 WeakPolarHBondContact O-CD1 3.47Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 2.99Å; L320-I324 PolarHBondContact O-N 3.03Å; H321-I324 PolarHBondContact O-N 2.74Å; R322-I324 VanDerWaalsContact C-N 3.34Å; R322-I324 PolarHBondContact O-N 3.27Å; I324-K333 HydrophobicContact CG2-CG 4.07Å; I324-L336 HydrophobicContact CD1-CB 4.21Å; I324-L336 HydrophobicContact CG1-CB 3.47Å; I324-L336 VanDerWaalsContact CG1-CB 3.47Å; I324-L336 HydrophobicContact CG1-CD1 4.32Å; I324-M337 HydrophobicContact CD1-CG 4.01Å; I324-M337 HydrophobicContact CG1-CG 4.34Å; I324-M337 HydrophobicContact CG2-CG 4.12Å; I324-L340 HydrophobicContact CD1-CB 4.13Å; I324-L340 HydrophobicContact CD1-CD2 3.79Å
325	M	96.2	Very high	96.7	Very high	126 Å²	126	64 Å²	64	62%	0.621	33%	0.332	S	S	*	.	H	α-helix	trans	-77.4	-28.5	-178.2	-68	-59.2	-68.8	0	0	112.9	H321 R322 Q323	H321-M325 VanDerWaalsContact O-CG 3.26Å; H321-M325 WeakPolarHBondContact O-CG 3.39Å; H321-M325 PolarHBondContact O-N 3.27Å; R322-M325 PolarHBondContact O-N 3.2Å; Q323-M325 VanDerWaalsContact C-N 3.32Å; Q323-M325 PolarHBondContact O-N 3.1Å
326	M	94.6	Very high	96.8	Very high	68 Å²	68	65.2 Å²	65.2	34%	0.335	34%	0.338	S	S	.	.	H	α-helix	trans	-94.7	-17.7	-175.6	-67.9	174.7	57.7	0	0	113.7	P228 T231 R322 Q323	P228-M326 WeakPolarHBondContact O-CE 3.43Å; T231-M326 HydrophobicContact CG2-CE 3.98Å; T231-M326 HydrophobicContact CG2-SD 3.59Å; T231-M326 VanDerWaalsContact CG2-SD 3.59Å; R322-M326 HydrophobicContact CB-SD 4.39Å; R322-M326 VanDerWaalsContact O-CB 3.31Å; R322-M326 WeakPolarHBondContact O-CB 3.18Å; R322-M326 VanDerWaalsContact O-CG 3.24Å; R322-M326 WeakPolarHBondContact O-CG 3.38Å; R322-M326 PolarHBondContact O-N 2.88Å; Q323-M326 PolarHBondContact O-N 3.04Å
327	T	94.5	Very high	96.8	Very high	33 Å²	33	69.6 Å²	69.6	20%	0.202	36%	0.359	C	S	.	.			trans	-75.7	132.2	175.5	-172.8	0	0	0	0	111.9	Q323 N329 D332 K333 L336	Q323-T327 WeakPolarHBondContact O-CG2 3.39Å; Q323-T327 PolarHBondContact O-N 3.15Å; T327-N329 PolarHBondContact OG1-N 3.01Å; T327-D332 HydrophobicContact CG2-CB 4.45Å; T327-K333 HydrophobicContact CG2-CB 3.79Å; T327-K333 HydrophobicContact CG2-CG 4.33Å; T327-L336 HydrophobicContact CG2-CD1 4.19Å
328	N	93.8	Very high	96.9	Very high	174 Å²	174	73.9 Å²	73.9	93%	0.93	38%	0.378	S	S	*	.			trans	-90.8	-7.8	171.9	-68.3	-41.7	0	0	0	112.5
329	N	96.1	Very high	96.9	Very high	67 Å²	67	74.5 Å²	74.5	36%	0.358	38%	0.382	S	S	.	.			trans	-88.6	120.9	-179.6	179.7	-15.3	0	0	0	110	T327 E331 D332 K333	T327-N329 PolarHBondContact OG1-N 3.01Å; N329-E331 VanDerWaalsContact C-N 3.33Å; N329-E331 PolarHBondContact O-N 3.04Å; N329-E331 WeakPolarHBondContact OD1-CB 3.38Å; N329-E331 PolarHBondContact OD1-N 2.92Å; N329-D332 HydrophobicContact CB-CB 3.95Å; N329-D332 VanDerWaalsContact CB-OD2 3.23Å; N329-D332 WeakPolarHBondContact CB-OD2 3.45Å; N329-D332 VanDerWaalsContact CG-OD2 3.3Å; N329-D332 VanDerWaalsContact ND2-CG 3.33Å; N329-D332 PolarHBondContact ND2-OD2 2.84Å; N329-D332 PolarHBondContact O-N 3.46Å; N329-D332 PolarHBondContact OD1-N 2.88Å; N329-K333 WeakPolarHBondContact O-CB 3.37Å; N329-K333 PolarHBondContact O-N 3.39Å
330	A	96.5	Very high	96.9	Very high	79 Å²	79	76.1 Å²	76.1	65%	0.653	39%	0.39	S	S	*	.	H	α-helix	trans	-64.8	-34	-179.2	0	0	0	0	0	113.3	S334	A330-S334 WeakPolarHBondContact O-CB 3.47Å; A330-S334 PolarHBondContact O-N 2.72Å
331	E	97.2	Very high	96.9	Very high	155 Å²	155	76.9 Å²	76.9	72%	0.724	40%	0.401	S	S	*	.	H	α-helix	trans	-69.4	-48.5	177.3	-64.4	179.4	-178.7	0	0	110.5	N329 K333 S334 F335	N329-E331 VanDerWaalsContact C-N 3.33Å; N329-E331 PolarHBondContact O-N 3.04Å; N329-E331 WeakPolarHBondContact OD1-CB 3.38Å; N329-E331 PolarHBondContact OD1-N 2.92Å; E331-K333 VanDerWaalsContact C-N 3.28Å; E331-K333 PolarHBondContact O-N 3.27Å; E331-S334 PolarHBondContact O-N 2.7Å; E331-F335 WeakPolarHBondContact O-CB 3.13Å; E331-F335 PolarHBondContact O-N 2.98Å
332	D	95.9	Very high	96.9	Very high	75 Å²	75	77.5 Å²	77.5	40%	0.401	41%	0.407	S	S	.	.	H	α-helix	trans	-59.2	-42.5	175.3	-65.7	-24.1	0	0	0	110.8	T327 N329 S334 F335 L336	T327-D332 HydrophobicContact CG2-CB 4.45Å; N329-D332 HydrophobicContact CB-CB 3.95Å; N329-D332 VanDerWaalsContact CB-OD2 3.23Å; N329-D332 WeakPolarHBondContact CB-OD2 3.45Å; N329-D332 VanDerWaalsContact CG-OD2 3.3Å; N329-D332 VanDerWaalsContact ND2-CG 3.33Å; N329-D332 PolarHBondContact ND2-OD2 2.84Å; N329-D332 PolarHBondContact O-N 3.46Å; N329-D332 PolarHBondContact OD1-N 2.88Å; D332-S334 PolarHBondContact O-N 3.26Å; D332-F335 PolarHBondContact O-N 2.79Å; D332-L336 WeakPolarHBondContact O-CB 3.14Å; D332-L336 VanDerWaalsContact O-CG 3.23Å; D332-L336 WeakPolarHBondContact O-CG 3.32Å; D332-L336 PolarHBondContact O-N 3.28Å
333	K	97.8	Very high	96.8	Very high	91 Å²	91	78.1 Å²	78.1	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-58.7	-49.4	176.2	-170.1	173.7	-177.2	167.7	0	111.6	I324 T327 N329 E331 F335 L336 M337	I324-K333 HydrophobicContact CG2-CG 4.07Å; T327-K333 HydrophobicContact CG2-CB 3.79Å; T327-K333 HydrophobicContact CG2-CG 4.33Å; N329-K333 WeakPolarHBondContact O-CB 3.37Å; N329-K333 PolarHBondContact O-N 3.39Å; E331-K333 VanDerWaalsContact C-N 3.28Å; E331-K333 PolarHBondContact O-N 3.27Å; K333-F335 VanDerWaalsContact C-N 3.33Å; K333-F335 PolarHBondContact O-N 3.4Å; K333-L336 PolarHBondContact O-N 3.27Å; K333-M337 HydrophobicContact CG-SD 4.47Å; K333-M337 WeakPolarHBondContact O-CB 3.33Å; K333-M337 VanDerWaalsContact O-CG 3.29Å; K333-M337 WeakPolarHBondContact O-CG 3.46Å; K333-M337 PolarHBondContact O-N 3.27Å
334	S	97.9	Very high	96.8	Very high	62 Å²	62	80.3 Å²	80.3	43%	0.434	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-43.7	178	-178.5	0	0	0	0	111.5	A330 E331 D332 M337 Q338	A330-S334 WeakPolarHBondContact O-CB 3.47Å; A330-S334 PolarHBondContact O-N 2.72Å; E331-S334 PolarHBondContact O-N 2.7Å; D332-S334 PolarHBondContact O-N 3.26Å; S334-M337 PolarHBondContact O-N 2.82Å; S334-Q338 WeakPolarHBondContact O-CG 2.99Å; S334-Q338 PolarHBondContact O-N 2.86Å; S334-Q338 VanDerWaalsContact O-N 3.11Å
335	F	97.8	Very high	96.9	Very high	124 Å²	124	86.6 Å²	86.6	54%	0.544	45%	0.45	S	S	.	.	H	α-helix	trans	-64.2	-46.8	178.3	-177.9	-115.4	0	0	0	112.2	E331 D332 K333 M337 Q338 I339	E331-F335 WeakPolarHBondContact O-CB 3.13Å; E331-F335 PolarHBondContact O-N 2.98Å; D332-F335 PolarHBondContact O-N 2.79Å; K333-F335 VanDerWaalsContact C-N 3.33Å; K333-F335 PolarHBondContact O-N 3.4Å; F335-M337 VanDerWaalsContact C-N 3.32Å; F335-M337 PolarHBondContact O-N 2.74Å; F335-Q338 WeakPolarHBondContact O-CB 3.45Å; F335-Q338 PolarHBondContact O-N 3.42Å; F335-Q338 VanDerWaalsContact O-N 3.1Å; F335-I339 HydrophobicContact CD1-CD1 3.95Å; F335-I339 HydrophobicContact CE1-CD1 3.54Å; F335-I339 HydrophobicContact CE1-CG1 4.46Å; F335-I339 HydrophobicContact CZ-CD1 3.88Å; F335-I339 HydrophobicContact CZ-CG1 4.43Å; F335-I339 PolarHBondContact O-N 2.04Å
336	L	97.9	Very high	96.9	Very high	25 Å²	25	83.9 Å²	83.9	13%	0.131	43%	0.433	C	S	.	.	H	α-helix	trans	-62.6	-37.2	176.3	-71	167.3	0	0	0	112.3	L320 Q323 I324 T327 D332 K333 Q338 I339 L340	L320-L336 HydrophobicContact CD2-CD2 4.11Å; Q323-L336 HydrophobicContact CB-CD1 3.83Å; Q323-L336 HydrophobicContact CB-CD2 4.28Å; I324-L336 HydrophobicContact CD1-CB 4.21Å; I324-L336 HydrophobicContact CG1-CB 3.47Å; I324-L336 VanDerWaalsContact CG1-CB 3.47Å; I324-L336 HydrophobicContact CG1-CD1 4.32Å; T327-L336 HydrophobicContact CG2-CD1 4.19Å; D332-L336 WeakPolarHBondContact O-CB 3.14Å; D332-L336 VanDerWaalsContact O-CG 3.23Å; D332-L336 WeakPolarHBondContact O-CG 3.32Å; D332-L336 PolarHBondContact O-N 3.28Å; K333-L336 PolarHBondContact O-N 3.27Å; L336-Q338 VanDerWaalsContact C-N 3.31Å; L336-Q338 PolarHBondContact O-N 2.83Å; L336-I339 PolarHBondContact O-N 3.41Å; L336-L340 PolarHBondContact O-N 3.29Å
337	M	97.9	Very high	96.9	Very high	110 Å²	110	84.8 Å²	84.8	54%	0.542	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-36.6	173.3	-75.1	-178.9	72.5	0	0	112.3	I324 K333 S334 F335 L340 G341	I324-M337 HydrophobicContact CD1-CG 4.01Å; I324-M337 HydrophobicContact CG1-CG 4.34Å; I324-M337 HydrophobicContact CG2-CG 4.12Å; K333-M337 HydrophobicContact CG-SD 4.47Å; K333-M337 WeakPolarHBondContact O-CB 3.33Å; K333-M337 VanDerWaalsContact O-CG 3.29Å; K333-M337 WeakPolarHBondContact O-CG 3.46Å; K333-M337 PolarHBondContact O-N 3.27Å; S334-M337 PolarHBondContact O-N 2.82Å; F335-M337 VanDerWaalsContact C-N 3.32Å; F335-M337 PolarHBondContact O-N 2.74Å; M337-L340 PolarHBondContact O-N 3.15Å; M337-G341 PolarHBondContact O-N 3.3Å
338	Q	98.1	Very high	97.1	Very high	122 Å²	122	87.3 Å²	87.3	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-65.7	-43.1	173.2	-67.5	174.2	42.7	0	0	111.5	S334 F335 L336 L340 G341 L342	S334-Q338 WeakPolarHBondContact O-CG 2.99Å; S334-Q338 PolarHBondContact O-N 2.86Å; S334-Q338 VanDerWaalsContact O-N 3.11Å; F335-Q338 WeakPolarHBondContact O-CB 3.45Å; F335-Q338 PolarHBondContact O-N 3.42Å; F335-Q338 VanDerWaalsContact O-N 3.1Å; L336-Q338 VanDerWaalsContact C-N 3.31Å; L336-Q338 PolarHBondContact O-N 2.83Å; Q338-L340 VanDerWaalsContact C-N 3.34Å; Q338-L340 PolarHBondContact O-N 3.22Å; Q338-G341 PolarHBondContact O-N 3.41Å; Q338-L342 WeakPolarHBondContact O-CG 3.48Å; Q338-L342 PolarHBondContact O-N 2.84Å
339	I	97.6	Very high	97.2	Very high	49 Å²	49	83.5 Å²	83.5	25%	0.251	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-44.4	175.1	-64.4	172.1	0	0	0	110.8	L320 F335 L336 G341 L342 K343	L320-I339 HydrophobicContact CD1-CG2 3.87Å; L320-I339 HydrophobicContact CD2-CB 4.46Å; L320-I339 HydrophobicContact CD2-CG2 3.88Å; F335-I339 HydrophobicContact CD1-CD1 3.95Å; F335-I339 HydrophobicContact CE1-CD1 3.54Å; F335-I339 HydrophobicContact CE1-CG1 4.46Å; F335-I339 HydrophobicContact CZ-CD1 3.88Å; F335-I339 HydrophobicContact CZ-CG1 4.43Å; F335-I339 PolarHBondContact O-N 2.04Å; L336-I339 PolarHBondContact O-N 3.41Å; I339-G341 VanDerWaalsContact C-N 3.33Å; I339-G341 PolarHBondContact O-N 3.46Å; I339-L342 PolarHBondContact O-N 3.37Å; I339-K343 PolarHBondContact O-N 3.22Å
340	L	97.6	Very high	97.3	Very high	37 Å²	37	80.3 Å²	80.3	19%	0.194	41%	0.407	C	S	.	.	H	α-helix	trans	-58.7	-45.7	175.6	177.9	61.3	0	0	0	111.1	L317 L320 I324 L336 M337 Q338 L342 K343 L344	L317-L340 HydrophobicContact CD2-CD1 3.88Å; L320-L340 HydrophobicContact CB-CD1 4.43Å; L320-L340 HydrophobicContact CD1-CB 4.28Å; L320-L340 HydrophobicContact CD1-CD1 4.29Å; I324-L340 HydrophobicContact CD1-CB 4.13Å; I324-L340 HydrophobicContact CD1-CD2 3.79Å; L336-L340 PolarHBondContact O-N 3.29Å; M337-L340 PolarHBondContact O-N 3.15Å; Q338-L340 VanDerWaalsContact C-N 3.34Å; Q338-L340 PolarHBondContact O-N 3.22Å; L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 PolarHBondContact O-N 2.82Å; L340-K343 PolarHBondContact O-N 2.94Å; L340-L344 HydrophobicContact CD1-CD1 4.32Å; L340-L344 HydrophobicContact CD1-CG 4.27Å; L340-L344 HydrophobicContact CG-CD1 4.13Å; L340-L344 WeakPolarHBondContact O-CG 3.33Å; L340-L344 PolarHBondContact O-N 2.95Å
341	G	98	Very high	97.3	Very high	28 Å²	28	80 Å²	80	29%	0.289	39%	0.392	S	S	.	.	H	α-helix	trans	-58.5	-39.1	175.4	0	0	0	0	0	113.2	M337 Q338 I339 K345	M337-G341 PolarHBondContact O-N 3.3Å; Q338-G341 PolarHBondContact O-N 3.41Å; I339-G341 VanDerWaalsContact C-N 3.33Å; I339-G341 PolarHBondContact O-N 3.46Å; G341-K345 VanDerWaalsContact O-CG 3.3Å; G341-K345 WeakPolarHBondContact O-CG 3.23Å; G341-K345 PolarHBondContact O-N 2.7Å; G341-K345 VanDerWaalsContact O-N 3.07Å
342	L	97.5	Very high	97.3	Very high	115 Å²	115	76.4 Å²	76.4	60%	0.602	38%	0.378	S	S	*	.	H	α-helix	trans	-66.9	-41.2	174.8	-68.9	173.8	0	0	0	112.3	Q338 I339 L340 K345 R346	Q338-L342 WeakPolarHBondContact O-CG 3.48Å; Q338-L342 PolarHBondContact O-N 2.84Å; I339-L342 PolarHBondContact O-N 3.37Å; L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 PolarHBondContact O-N 2.82Å; L342-K345 PolarHBondContact O-N 3.09Å; L342-R346 PolarHBondContact O-N 3.23Å
343	K	96.5	Very high	97.4	Very high	60 Å²	60	73.5 Å²	73.5	26%	0.261	36%	0.363	S	S	.	.	H	α-helix	trans	-66.7	-39.8	177	-71.9	-161.6	-172.2	-84.7	0	112.5	L317 L320 I339 L340 R346 R347	L317-K343 HydrophobicContact CD2-CB 3.73Å; L317-K343 HydrophobicContact CD2-CD 4.24Å; L320-K343 HydrophobicContact CD1-CD 3.49Å; L320-K343 VanDerWaalsContact CD1-CD 3.49Å; L320-K343 HydrophobicContact CD1-CG 4.14Å; I339-K343 PolarHBondContact O-N 3.22Å; L340-K343 PolarHBondContact O-N 2.94Å; K343-R346 WeakPolarHBondContact O-CB 3.44Å; K343-R346 PolarHBondContact O-N 3.09Å; K343-R347 PolarHBondContact O-N 2.98Å
344	L	97	Very high	97.4	Very high	75 Å²	75	69.4 Å²	69.4	39%	0.393	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-46.7	175.3	-70.7	172.2	0	0	0	111.3	L317 L340 R346 R347 D348	L317-L344 HydrophobicContact CD1-CD2 4.07Å; L317-L344 HydrophobicContact CD2-CD2 4.35Å; L340-L344 HydrophobicContact CD1-CD1 4.32Å; L340-L344 HydrophobicContact CD1-CG 4.27Å; L340-L344 HydrophobicContact CG-CD1 4.13Å; L340-L344 WeakPolarHBondContact O-CG 3.33Å; L340-L344 PolarHBondContact O-N 2.95Å; L344-R346 PolarHBondContact O-N 3.24Å; L344-R347 WeakPolarHBondContact O-CB 3.23Å; L344-R347 PolarHBondContact O-N 3.42Å; L344-D348 PolarHBondContact O-N 3.39Å
345	K	97.7	Very high	97.4	Very high	144 Å²	144	71.7 Å²	71.7	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-57.2	-37.2	174.2	-74.9	175.1	-179.4	-178	0	112.9	G341 L342 L349	G341-K345 VanDerWaalsContact O-CG 3.3Å; G341-K345 WeakPolarHBondContact O-CG 3.23Å; G341-K345 PolarHBondContact O-N 2.7Å; G341-K345 VanDerWaalsContact O-N 3.07Å; L342-K345 PolarHBondContact O-N 3.09Å; K345-L349 WeakPolarHBondContact O-CB 3.19Å; K345-L349 PolarHBondContact O-N 3.28Å
346	R	96.3	Very high	97.4	Very high	68 Å²	68	69.9 Å²	69.9	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-67.1	-41.6	175.6	-176.5	-179.2	65.1	174.5	11.3	111.7	L342 K343 L344 D348 L349 I350 Q396	L342-R346 PolarHBondContact O-N 3.23Å; K343-R346 WeakPolarHBondContact O-CB 3.44Å; K343-R346 PolarHBondContact O-N 3.09Å; L344-R346 PolarHBondContact O-N 3.24Å; R346-D348 VanDerWaalsContact C-N 3.34Å; R346-L349 WeakPolarHBondContact O-CB 3.42Å; R346-L349 PolarHBondContact O-N 2.98Å; R346-I350 HydrophobicContact CG-CD1 4.08Å; R346-I350 VanDerWaalsContact O-CG1 3.29Å; R346-I350 WeakPolarHBondContact O-CG1 3.38Å; R346-I350 PolarHBondContact O-N 2.92Å; R346-Q396 PolarHBondContact NH1-O 2.99Å; R346-Q396 PolarHBondContact NH2-O 3.37Å
347	R	96.2	Very high	97.4	Very high	87 Å²	87	68.7 Å²	68.7	33%	0.328	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-45.6	175	-179.5	173.3	168.3	155.6	-1	111	D314 K343 L344 L349 I350 E351 E399	D314-R347 IonicContact OD1-CZ 3.59Å; D314-R347 IonicContact OD1-NH1 2.73Å; D314-R347 PolarHBondContact OD1-NH1 2.89Å; D314-R347 IonicContact OD1-NH2 3.24Å; K343-R347 PolarHBondContact O-N 2.98Å; L344-R347 WeakPolarHBondContact O-CB 3.23Å; L344-R347 PolarHBondContact O-N 3.42Å; R347-L349 VanDerWaalsContact C-N 3.35Å; R347-L349 PolarHBondContact O-N 3.28Å; R347-I350 PolarHBondContact O-N 3.46Å; R347-E351 PolarHBondContact O-N 2.83Å; R347-E399 HydrophobicContact CG-CG 4.38Å
348	D	97	Very high	97.4	Very high	86 Å²	86	65.4 Å²	65.4	46%	0.46	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-43.9	175.2	-61.4	-21.4	0	0	0	111.3	L344 R346 I350 E351 D352	L344-D348 PolarHBondContact O-N 3.39Å; R346-D348 VanDerWaalsContact C-N 3.34Å; D348-I350 PolarHBondContact O-N 2.88Å; D348-E351 PolarHBondContact O-N 2.83Å; D348-D352 WeakPolarHBondContact O-CB 3.41Å; D348-D352 PolarHBondContact O-N 3.19Å
349	L	97	Very high	97.4	Very high	94 Å²	94	66.5 Å²	66.5	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-42.6	176.8	177.9	64.8	0	0	0	112.3	K345 R346 R347 T353 F392	K345-L349 WeakPolarHBondContact O-CB 3.19Å; K345-L349 PolarHBondContact O-N 3.28Å; R346-L349 WeakPolarHBondContact O-CB 3.42Å; R346-L349 PolarHBondContact O-N 2.98Å; R347-L349 VanDerWaalsContact C-N 3.35Å; R347-L349 PolarHBondContact O-N 3.28Å; L349-T353 VanDerWaalsContact O-CB 3.25Å; L349-T353 WeakPolarHBondContact O-CB 3.31Å; L349-T353 PolarHBondContact O-N 3.22Å; L349-T353 PolarHBondContact O-OG1 3.21Å; L349-F392 HydrophobicContact CD2-CE1 4.06Å; L349-F392 HydrophobicContact CD2-CZ 4.06Å; L349-F392 HydrophobicContact CG-CE1 4.37Å; L349-F392 HydrophobicContact CG-CZ 3.9Å
350	I	97	Very high	97.4	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-47.8	176.4	-67.7	163	0	0	0	109.9	R346 R347 D348 D352 T353 M354 F392 A397 E399 V400	R346-I350 HydrophobicContact CG-CD1 4.08Å; R346-I350 VanDerWaalsContact O-CG1 3.29Å; R346-I350 WeakPolarHBondContact O-CG1 3.38Å; R346-I350 PolarHBondContact O-N 2.92Å; R347-I350 PolarHBondContact O-N 3.46Å; D348-I350 PolarHBondContact O-N 2.88Å; I350-D352 PolarHBondContact O-N 3.37Å; I350-T353 PolarHBondContact O-N 3.49Å; I350-M354 WeakPolarHBondContact O-CB 3.3Å; I350-M354 VanDerWaalsContact O-CG 3.24Å; I350-M354 WeakPolarHBondContact O-CG 3.38Å; I350-M354 PolarHBondContact O-N 3.17Å; I350-F392 HydrophobicContact CB-CD2 4.35Å; I350-F392 HydrophobicContact CB-CE2 4.29Å; I350-F392 HydrophobicContact CD1-CG 4.38Å; I350-F392 HydrophobicContact CG1-CB 4.49Å; I350-F392 HydrophobicContact CG1-CD1 3.93Å; I350-F392 HydrophobicContact CG1-CD2 3.67Å; I350-F392 HydrophobicContact CG1-CE1 4.05Å; I350-F392 HydrophobicContact CG1-CE2 3.79Å; I350-F392 HydrophobicContact CG1-CG 3.75Å; I350-F392 HydrophobicContact CG1-CZ 3.99Å; I350-F392 HydrophobicContact CG2-CD2 4.38Å; I350-A397 HydrophobicContact CD1-CB 3.6Å; I350-E399 HydrophobicContact CD1-CG 3.81Å; I350-V400 HydrophobicContact CD1-CG2 3.99Å; I350-V400 HydrophobicContact CG2-CG2 4.4Å
351	E	96.9	Very high	97.4	Very high	72 Å²	72	63.2 Å²	63.2	34%	0.336	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-46.8	179.5	-175.3	-178.9	151.6	0	0	111.9	R347 D348 M354 K355	R347-E351 PolarHBondContact O-N 2.83Å; D348-E351 PolarHBondContact O-N 2.83Å; E351-M354 PolarHBondContact O-N 3.5Å; E351-K355 WeakPolarHBondContact O-CG 3.46Å; E351-K355 PolarHBondContact O-N 3.06Å; E351-K355 WeakPolarHBondContact OE1-CE 3.47Å; E351-K355 IonicContact OE1-NZ 2.7Å; E351-K355 PolarHBondContact OE1-NZ 3.09Å
352	D	97.8	Very high	97.3	Very high	81 Å²	81	67.4 Å²	67.4	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-68.1	-38.4	-179.8	-74.9	-15	0	0	0	112.2	D348 I350 M354 K355 L356	D348-D352 WeakPolarHBondContact O-CB 3.41Å; D348-D352 PolarHBondContact O-N 3.19Å; I350-D352 PolarHBondContact O-N 3.37Å; D352-M354 VanDerWaalsContact C-N 3.28Å; D352-M354 PolarHBondContact O-N 3.21Å; D352-K355 PolarHBondContact O-N 3.25Å; D352-K355 IonicContact OD1-NZ 3.29Å; D352-K355 PolarHBondContact OD1-NZ 3.02Å; D352-L356 WeakPolarHBondContact O-CG 3.43Å; D352-L356 PolarHBondContact O-N 3.27Å
353	T	97.9	Very high	97.2	Very high	14 Å²	14	68.1 Å²	68.1	9%	0.086	33%	0.329	C	S	.	.	H	α-helix	trans	-56.8	-45.8	171.5	-61.7	0	0	0	0	110.5	L349 I350 L356 I357 F392 I427 C428	L349-T353 VanDerWaalsContact O-CB 3.25Å; L349-T353 WeakPolarHBondContact O-CB 3.31Å; L349-T353 PolarHBondContact O-N 3.22Å; L349-T353 PolarHBondContact O-OG1 3.21Å; I350-T353 PolarHBondContact O-N 3.49Å; T353-L356 WeakPolarHBondContact O-CB 3.41Å; T353-L356 PolarHBondContact O-N 3.49Å; T353-I357 HydrophobicContact CG2-CD1 4.14Å; T353-I357 WeakPolarHBondContact O-CG1 3.44Å; T353-I357 PolarHBondContact O-N 3.3Å; T353-F392 HydrophobicContact CG2-CE2 3.97Å; T353-I427 HydrophobicContact CG2-CG2 3.91Å; T353-C428 VanDerWaalsContact CG2-SG 3.51Å
354	M	97.6	Very high	97.2	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-67.5	-39.1	179.8	-72.3	-67.5	-42.5	0	0	112.7	I350 E351 D352 L356 I357 V358 F387 H403 L407	I350-M354 WeakPolarHBondContact O-CB 3.3Å; I350-M354 VanDerWaalsContact O-CG 3.24Å; I350-M354 WeakPolarHBondContact O-CG 3.38Å; I350-M354 PolarHBondContact O-N 3.17Å; E351-M354 PolarHBondContact O-N 3.5Å; D352-M354 VanDerWaalsContact C-N 3.28Å; D352-M354 PolarHBondContact O-N 3.21Å; M354-L356 VanDerWaalsContact C-N 3.28Å; M354-L356 PolarHBondContact O-N 2.84Å; M354-I357 PolarHBondContact O-N 3.42Å; M354-I357 HydrophobicContact SD-CD1 4.06Å; M354-V358 WeakPolarHBondContact O-CG2 3.42Å; M354-V358 PolarHBondContact O-N 2.81Å; M354-F387 HydrophobicContact SD-CE2 3.53Å; M354-F387 VanDerWaalsContact SD-CE2 3.53Å; M354-F387 HydrophobicContact SD-CZ 3.8Å; M354-H403 HydrophobicContact CB-CB 4.42Å; M354-H403 HydrophobicContact CE-CB 4.21Å; M354-H403 WeakPolarHBondContact CE-O 3.29Å; M354-H403 HydrophobicContact CG-CB 3.66Å; M354-H403 HydrophobicContact SD-CB 4.14Å; M354-L407 HydrophobicContact CE-CD1 4.48Å; M354-L407 HydrophobicContact CE-CD2 4.01Å; M354-L407 HydrophobicContact CE-CG 3.98Å
355	K	97.8	Very high	97	Very high	109 Å²	109	72.8 Å²	72.8	47%	0.474	35%	0.35	S	S	.	.	H	α-helix	trans	-59.4	-39.2	171.7	-72.6	171.4	-172.6	152.3	0	111.9	E351 D352 K359	E351-K355 WeakPolarHBondContact O-CG 3.46Å; E351-K355 PolarHBondContact O-N 3.06Å; E351-K355 WeakPolarHBondContact OE1-CE 3.47Å; E351-K355 IonicContact OE1-NZ 2.7Å; E351-K355 PolarHBondContact OE1-NZ 3.09Å; D352-K355 PolarHBondContact O-N 3.25Å; D352-K355 IonicContact OD1-NZ 3.29Å; D352-K355 PolarHBondContact OD1-NZ 3.02Å; K355-K359 WeakPolarHBondContact O-CB 3.46Å; K355-K359 PolarHBondContact O-N 3.43Å
356	L	98.3	Very high	96.8	Very high	87 Å²	87	72 Å²	72	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-68.2	-41.8	176.6	-70	175.6	0	0	0	112.2	D352 T353 M354 K359 V360 I427	D352-L356 WeakPolarHBondContact O-CG 3.43Å; D352-L356 PolarHBondContact O-N 3.27Å; T353-L356 WeakPolarHBondContact O-CB 3.41Å; T353-L356 PolarHBondContact O-N 3.49Å; M354-L356 VanDerWaalsContact C-N 3.28Å; M354-L356 PolarHBondContact O-N 2.84Å; L356-K359 WeakPolarHBondContact O-CB 3.48Å; L356-K359 PolarHBondContact O-N 3.35Å; L356-V360 PolarHBondContact O-N 2.87Å; L356-I427 HydrophobicContact CB-CD1 3.87Å; L356-I427 HydrophobicContact CB-CG1 4.06Å; L356-I427 HydrophobicContact CB-CG2 3.92Å; L356-I427 HydrophobicContact CD1-CG2 4.16Å
357	I	98	Very high	96.8	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-48.4	174.2	-68.4	166	0	0	0	110.2	T353 M354 K359 V360 M361 F387 L407 A423 I424 I427	T353-I357 HydrophobicContact CG2-CD1 4.14Å; T353-I357 WeakPolarHBondContact O-CG1 3.44Å; T353-I357 PolarHBondContact O-N 3.3Å; M354-I357 PolarHBondContact O-N 3.42Å; M354-I357 HydrophobicContact SD-CD1 4.06Å; I357-K359 VanDerWaalsContact C-N 3.27Å; I357-K359 PolarHBondContact O-N 3.49Å; I357-V360 WeakPolarHBondContact O-CB 3.32Å; I357-V360 PolarHBondContact O-N 2.79Å; I357-V360 VanDerWaalsContact O-N 3.07Å; I357-M361 HydrophobicContact CG2-CG 4.3Å; I357-M361 WeakPolarHBondContact O-CG 3.42Å; I357-M361 PolarHBondContact O-N 2.73Å; I357-F387 HydrophobicContact CD1-CD2 4.42Å; I357-F387 HydrophobicContact CD1-CE2 3.97Å; I357-L407 HydrophobicContact CG2-CD2 4Å; I357-A423 HydrophobicContact CG2-CB 4.3Å; I357-I424 HydrophobicContact CD1-CG1 4.14Å; I357-I427 HydrophobicContact CG1-CB 4.12Å; I357-I427 HydrophobicContact CG1-CG1 4.02Å; I357-I427 HydrophobicContact CG1-CG2 4.41Å
358	V	97.6	Very high	96.7	Very high	40 Å²	40	73.6 Å²	73.6	24%	0.242	37%	0.374	C	S	.	.	H	α-helix	trans	-57.3	-41.2	176	169	0	0	0	0	111.5	M354 V360 M361 N362 T406	M354-V358 WeakPolarHBondContact O-CG2 3.42Å; M354-V358 PolarHBondContact O-N 2.81Å; V358-V360 VanDerWaalsContact C-N 3.32Å; V358-V360 PolarHBondContact O-N 2.62Å; V358-M361 PolarHBondContact O-N 2.78Å; V358-N362 PolarHBondContact O-N 3.33Å; V358-N362 PolarHBondContact O-ND2 3.31Å; V358-N362 PolarHBondContact O-OD1 3.07Å; V358-T406 HydrophobicContact CG2-CG2 3.7Å
359	K	97.8	Very high	96.6	Very high	146 Å²	146	74.7 Å²	74.7	64%	0.635	38%	0.384	S	S	*	.	H	α-helix	trans	-63.1	-37.1	177.1	-175.7	178.9	179	-179.2	0	112.6	K355 L356 I357 N363	K355-K359 WeakPolarHBondContact O-CB 3.46Å; K355-K359 PolarHBondContact O-N 3.43Å; L356-K359 WeakPolarHBondContact O-CB 3.48Å; L356-K359 PolarHBondContact O-N 3.35Å; I357-K359 VanDerWaalsContact C-N 3.27Å; I357-K359 PolarHBondContact O-N 3.49Å; K359-N363 PolarHBondContact O-ND2 2.03Å
360	V	97.7	Very high	96.6	Very high	17 Å²	17	77.6 Å²	77.6	10%	0.103	39%	0.392	C	S	.	.	H	α-helix	trans	-66.1	-51.9	173.8	175.8	0	0	0	0	109.5	L356 I357 V358 N362 N363 A423 K426 I427	L356-V360 PolarHBondContact O-N 2.87Å; I357-V360 WeakPolarHBondContact O-CB 3.32Å; I357-V360 PolarHBondContact O-N 2.79Å; I357-V360 VanDerWaalsContact O-N 3.07Å; V358-V360 VanDerWaalsContact C-N 3.32Å; V358-V360 PolarHBondContact O-N 2.62Å; V360-N362 PolarHBondContact O-N 3.31Å; V360-N363 PolarHBondContact O-N 2.75Å; V360-N363 PolarHBondContact O-ND2 3.26Å; V360-A423 HydrophobicContact CB-CB 4.04Å; V360-A423 HydrophobicContact CG1-CB 3.66Å; V360-K426 HydrophobicContact CG1-CD 4.26Å; V360-K426 HydrophobicContact CG2-CD 4.11Å; V360-I427 HydrophobicContact CG2-CD1 3.99Å; V360-I427 HydrophobicContact CG2-CG1 4.3Å
361	M	97.5	Very high	96.6	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-57.6	-32.5	-179.6	-69.5	-59.1	-58.9	0	0	113.6	I357 V358 N363 E364 Y410 Y415 T419 I420 A423	I357-M361 HydrophobicContact CG2-CG 4.3Å; I357-M361 WeakPolarHBondContact O-CG 3.42Å; I357-M361 PolarHBondContact O-N 2.73Å; V358-M361 PolarHBondContact O-N 2.78Å; M361-N363 PolarHBondContact O-N 3.41Å; M361-N363 VanDerWaalsContact O-N 3.15Å; M361-E364 WeakPolarHBondContact O-CB 3.29Å; M361-E364 PolarHBondContact O-N 2.9Å; M361-E364 HydrophobicContact SD-CG 4.33Å; M361-Y410 HydrophobicContact CB-CE1 4.08Å; M361-Y410 HydrophobicContact CB-CE2 3.93Å; M361-Y410 HydrophobicContact CE-CD1 4.19Å; M361-Y410 HydrophobicContact CE-CD2 4.27Å; M361-Y410 HydrophobicContact CE-CE1 4.5Å; M361-Y410 HydrophobicContact CE-CG 4.08Å; M361-Y410 HydrophobicContact CG-CD2 4.16Å; M361-Y410 HydrophobicContact CG-CE2 3.71Å; M361-Y415 HydrophobicContact CE-CD1 3.49Å; M361-Y415 VanDerWaalsContact CE-CD1 3.49Å; M361-Y415 HydrophobicContact CE-CE1 3.85Å; M361-Y415 HydrophobicContact CE-CG 3.89Å; M361-T419 HydrophobicContact CE-CG2 4.31Å; M361-I420 HydrophobicContact CE-CG1 3.85Å; M361-I420 HydrophobicContact SD-CG1 4.31Å; M361-A423 HydrophobicContact CG-CB 4.13Å; M361-A423 HydrophobicContact SD-CB 3.74Å
362	N	96.5	Very high	96.6	Very high	116 Å²	116	79.2 Å²	79.2	62%	0.62	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.1	176.3	-73	-13.7	0	0	0	114.2	V358 V360	V358-N362 PolarHBondContact O-N 3.33Å; V358-N362 PolarHBondContact O-ND2 3.31Å; V358-N362 PolarHBondContact O-OD1 3.07Å; V360-N362 PolarHBondContact O-N 3.31Å
363	N	95	Very high	96.6	Very high	129 Å²	129	77.3 Å²	77.3	69%	0.69	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-6.2	173.9	-48.8	-67.8	0	0	0	112.7	K359 V360 M361	K359-N363 PolarHBondContact O-ND2 2.03Å; V360-N363 PolarHBondContact O-N 2.75Å; V360-N363 PolarHBondContact O-ND2 3.26Å; M361-N363 PolarHBondContact O-N 3.41Å; M361-N363 VanDerWaalsContact O-N 3.15Å
364	E	95.8	Very high	96.5	Very high	69 Å²	69	80.7 Å²	80.7	32%	0.322	42%	0.416	S	S	.	.	S	Bend	trans	-77.3	153.9	177.5	-61	-57.3	140.9	0	0	110.5	M361 I366 Y415 T419	M361-E364 WeakPolarHBondContact O-CB 3.29Å; M361-E364 PolarHBondContact O-N 2.9Å; M361-E364 HydrophobicContact SD-CG 4.33Å; E364-I366 PolarHBondContact O-N 3.04Å; E364-Y415 HydrophobicContact CB-CE1 4.13Å; E364-T419 HydrophobicContact CB-CG2 4.11Å; E364-T419 HydrophobicContact CG-CG2 3.72Å
365	E	94.1	Very high	96.5	Very high	165 Å²	165	85.6 Å²	85.6	77%	0.771	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-66.5	128.4	176.5	-171.7	175.3	176.6	0	0	110.2	P367	E365-P367 WeakPolarHBondContact O-CD 3.36Å
366	I	93.7	Very high	96.5	Very high	127 Å²	127	80.6 Å²	80.6	65%	0.651	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-69.6	125.1	179.9	-58.8	173.3	0	0	0	108.7	E364 N368	E364-I366 PolarHBondContact O-N 3.04Å; I366-N368 PolarHBondContact O-N 3.31Å
367	P	94.8	Very high	96.5	Very high	36 Å²	36	77 Å²	77	23%	0.234	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-58.6	139.1	176.5	-21.6	29.8	0	0	0	112.1	E365 T369 D413 Y415	E365-P367 WeakPolarHBondContact O-CD 3.36Å; P367-T369 VanDerWaalsContact C-N 3.28Å; P367-T369 PolarHBondContact O-N 3.31Å; P367-D413 WeakPolarHBondContact CB-O 3.39Å; P367-Y415 VanDerWaalsContact CD-CE2 3.48Å; P367-Y415 HydrophobicContact CG-CD1 3.95Å; P367-Y415 HydrophobicContact CG-CD2 3.72Å; P367-Y415 HydrophobicContact CG-CE1 4.16Å; P367-Y415 HydrophobicContact CG-CE2 3.94Å; P367-Y415 HydrophobicContact CG-CG 3.74Å
368	N	94.1	Very high	96.5	Very high	153 Å²	153	80.3 Å²	80.3	82%	0.818	42%	0.417	S	S	*	.	S	Bend	trans	-75.5	-16.2	179.2	-69.6	-50.6	0	0	0	113.6	I366	I366-N368 PolarHBondContact O-N 3.31Å
369	T	95.6	Very high	96.5	Very high	109 Å²	109	79 Å²	79	67%	0.669	41%	0.409	S	S	*	.	S	Bend	trans	-140.8	136.5	-175.1	54.9	0	0	0	0	111.1	P367	P367-T369 VanDerWaalsContact C-N 3.28Å; P367-T369 PolarHBondContact O-N 3.31Å
370	K	96.8	Very high	96.5	Very high	155 Å²	155	72.1 Å²	72.1	67%	0.674	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-66	149	172.2	-65.5	-159.9	171.8	-130.9	0	111.8	D413	K370-D413 IonicContact NZ-OD1 2.77Å; K370-D413 PolarHBondContact NZ-OD1 3.24Å
371	A	97.2	Very high	96.5	Very high	25 Å²	25	74.5 Å²	74.5	21%	0.207	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-71.4	148.8	173.9	0	0	0	0	0	111.5	Q375 T376 C411 A412	A371-Q375 HydrophobicContact CB-CB 3.97Å; A371-T376 WeakPolarHBondContact CB-OG1 3.03Å; A371-C411 WeakPolarHBondContact CB-O 3.47Å; A371-A412 PolarHBondContact N-O 2.86Å; A371-A412 VanDerWaalsContact N-O 3.09Å
372	T	97.4	Very high	96.6	Very high	80 Å²	80	76.9 Å²	76.9	49%	0.491	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69.2	159.1	162.8	63	0	0	0	0	110.1	D374 Q375 T376	T372-D374 PolarHBondContact O-N 3.37Å; T372-Q375 PolarHBondContact O-N 2.8Å; T372-Q375 VanDerWaalsContact O-N 3.1Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.31Å; T372-Q375 PolarHBondContact OG1-N 3.08Å; T372-Q375 PolarHBondContact OG1-OE1 2.92Å; T372-T376 PolarHBondContact O-N 3.06Å; T372-T376 PolarHBondContact O-OG1 2.92Å
373	I	96.6	Very high	96.6	Very high	42 Å²	42	71.4 Å²	71.4	22%	0.215	38%	0.377	C	S	.	.	H	α-helix	trans	-56.2	-35.8	178.7	-173.4	58.9	0	0	0	113.1	Q200 I201 T376 L377	Q200-I373 HydrophobicContact CB-CB 4.37Å; Q200-I373 HydrophobicContact CB-CG1 4.12Å; Q200-I373 HydrophobicContact CB-CG2 4.4Å; I201-I373 HydrophobicContact CG2-CD1 4.44Å; I201-I373 HydrophobicContact CG2-CG1 3.46Å; I201-I373 VanDerWaalsContact CG2-CG1 3.46Å; I201-I373 HydrophobicContact CG2-CG2 4.24Å; I373-T376 PolarHBondContact O-N 3.15Å; I373-L377 HydrophobicContact CD1-CG 4.3Å; I373-L377 HydrophobicContact CG1-CD1 4.33Å; I373-L377 VanDerWaalsContact O-CG 3.3Å; I373-L377 WeakPolarHBondContact O-CG 3.4Å; I373-L377 PolarHBondContact O-N 2.96Å
374	D	96.4	Very high	96.8	Very high	84 Å²	84	65.2 Å²	65.2	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-43.8	178.1	-166.7	57	0	0	0	111.5	K167 T372 L377 D378	K167-D374 WeakPolarHBondContact CE-OD1 3.47Å; K167-D374 VanDerWaalsContact NZ-CG 3.32Å; K167-D374 IonicContact NZ-OD1 3.89Å; K167-D374 PolarHBondContact NZ-OD1 3.24Å; K167-D374 IonicContact NZ-OD2 2.62Å; K167-D374 PolarHBondContact NZ-OD2 3.4Å; T372-D374 PolarHBondContact O-N 3.37Å; D374-L377 PolarHBondContact O-N 2.68Å; D374-D378 PolarHBondContact O-N 3.03Å
375	Q	97.8	Very high	96.9	Very high	108 Å²	108	65.8 Å²	65.8	51%	0.505	35%	0.346	S	S	.	.	H	α-helix	trans	-64.4	-40.6	174.2	-71.3	166.9	-44	0	0	112.1	A371 T372 L377 D378 C379	A371-Q375 HydrophobicContact CB-CB 3.97Å; T372-Q375 PolarHBondContact O-N 2.8Å; T372-Q375 VanDerWaalsContact O-N 3.1Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.31Å; T372-Q375 PolarHBondContact OG1-N 3.08Å; T372-Q375 PolarHBondContact OG1-OE1 2.92Å; Q375-L377 VanDerWaalsContact C-N 3.32Å; Q375-L377 PolarHBondContact O-N 3.49Å; Q375-D378 PolarHBondContact O-N 3.3Å; Q375-C379 VanDerWaalsContact O-CB 3.3Å; Q375-C379 WeakPolarHBondContact O-CB 3.33Å; Q375-C379 PolarHBondContact O-N 3.32Å
376	T	98.1	Very high	97	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-45	176.1	-58.1	0	0	0	0	110.7	A371 T372 I373 C379 T380 Y408 C411 A412	A371-T376 WeakPolarHBondContact CB-OG1 3.03Å; T372-T376 PolarHBondContact O-N 3.06Å; T372-T376 PolarHBondContact O-OG1 2.92Å; I373-T376 PolarHBondContact O-N 3.15Å; T376-C379 PolarHBondContact O-N 3.48Å; T376-T380 VanDerWaalsContact O-CB 3.26Å; T376-T380 WeakPolarHBondContact O-CB 3.42Å; T376-T380 PolarHBondContact O-N 3.02Å; T376-T380 PolarHBondContact O-OG1 3.31Å; T376-Y408 HydrophobicContact CG2-CD2 4.37Å; T376-Y408 HydrophobicContact CG2-CE1 4.16Å; T376-Y408 HydrophobicContact CG2-CE2 3.8Å; T376-C411 HydrophobicContact CG2-CB 4.13Å; T376-A412 HydrophobicContact CG2-CB 3.93Å
377	L	97.8	Very high	97.2	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-69	-40.3	-179.9	-69.2	176.9	0	0	0	112.5	A166 I201 I373 D374 Q375 C379 T380 E381 Y408	A166-L377 HydrophobicContact CB-CD1 4.47Å; A166-L377 HydrophobicContact CB-CD2 4.24Å; I201-L377 HydrophobicContact CD1-CD1 4.1Å; I201-L377 HydrophobicContact CG2-CD1 3.77Å; I373-L377 HydrophobicContact CD1-CG 4.3Å; I373-L377 HydrophobicContact CG1-CD1 4.33Å; I373-L377 VanDerWaalsContact O-CG 3.3Å; I373-L377 WeakPolarHBondContact O-CG 3.4Å; I373-L377 PolarHBondContact O-N 2.96Å; D374-L377 PolarHBondContact O-N 2.68Å; Q375-L377 VanDerWaalsContact C-N 3.32Å; Q375-L377 PolarHBondContact O-N 3.49Å; L377-C379 VanDerWaalsContact C-N 3.34Å; L377-T380 PolarHBondContact O-N 3.35Å; L377-E381 PolarHBondContact O-N 2.94Å; L377-Y408 HydrophobicContact CD2-CE2 4.46Å
378	D	97.9	Very high	97.3	Very high	71 Å²	71	54.5 Å²	54.5	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-43.5	174.4	-74.9	-21.7	0	0	0	111.8	K167 D374 Q375 S382	K167-D378 WeakPolarHBondContact CD-OD1 3.27Å; K167-D378 VanDerWaalsContact CE-OD1 3.25Å; K167-D378 WeakPolarHBondContact CE-OD1 3.13Å; K167-D378 IonicContact NZ-OD1 3.59Å; K167-D378 PolarHBondContact NZ-OD1 3.02Å; K167-D378 IonicContact NZ-OD2 2.69Å; K167-D378 PolarHBondContact NZ-OD2 3.27Å; D374-D378 PolarHBondContact O-N 3.03Å; Q375-D378 PolarHBondContact O-N 3.3Å; D378-S382 PolarHBondContact O-N 3.03Å
379	C	98.5	Very high	97.4	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-46	174.1	174.5	0	0	0	0	111.2	Q375 T376 L377 E381 S382 V383 C411	Q375-C379 VanDerWaalsContact O-CB 3.3Å; Q375-C379 WeakPolarHBondContact O-CB 3.33Å; Q375-C379 PolarHBondContact O-N 3.32Å; T376-C379 PolarHBondContact O-N 3.48Å; L377-C379 VanDerWaalsContact C-N 3.34Å; C379-E381 PolarHBondContact O-N 3.07Å; C379-S382 PolarHBondContact O-N 3.15Å; C379-V383 VanDerWaalsContact O-CB 3.3Å; C379-V383 WeakPolarHBondContact O-CB 3.11Å; C379-V383 WeakPolarHBondContact O-CG2 3.04Å; C379-V383 PolarHBondContact O-N 3.41Å; C379-C411 HydrophobicContact CB-CB 3.56Å; C379-C411 WeakPolarHBondContact CB-SG 3.39Å; C379-C411 WeakPolarHBondContact SG-CA 3.29Å; C379-C411 WeakPolarHBondContact SG-CB 3.4Å; C379-C411 CovalentContact SG-SG 2.04Å; C379-C411 PolarHBondContact SG-SG 3.4Å
380	T	97.6	Very high	97.5	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-45.6	-178.3	-62.2	0	0	0	0	111.6	P154 T376 L377 V383 Y384 F404 Y408 C411	P154-T380 WeakPolarHBondContact O-CG2 3.26Å; T376-T380 VanDerWaalsContact O-CB 3.26Å; T376-T380 WeakPolarHBondContact O-CB 3.42Å; T376-T380 PolarHBondContact O-N 3.02Å; T376-T380 PolarHBondContact O-OG1 3.31Å; L377-T380 PolarHBondContact O-N 3.35Å; T380-V383 PolarHBondContact O-N 3.46Å; T380-Y384 WeakPolarHBondContact O-CB 3.45Å; T380-Y384 PolarHBondContact O-N 3.23Å; T380-F404 HydrophobicContact CG2-CE1 3.46Å; T380-F404 VanDerWaalsContact CG2-CE1 3.46Å; T380-F404 HydrophobicContact CG2-CZ 3.59Å; T380-Y408 HydrophobicContact CG2-CD2 3.78Å; T380-Y408 HydrophobicContact CG2-CE2 4.45Å; T380-Y408 VanDerWaalsContact OG1-CD2 3.26Å; T380-Y408 WeakPolarHBondContact OG1-CD2 3.46Å; T380-C411 PolarHBondContact N-SG 2.74Å; T380-C411 VanDerWaalsContact N-SG 3.44Å
381	E	97.9	Very high	97.4	Very high	67 Å²	67	44.1 Å²	44.1	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-50.4	177.3	-178.1	171	157	0	0	110.8	Y165 L377 C379 V383 Y384 E385	Y165-E381 HydrophobicContact CD1-CB 4.13Å; Y165-E381 HydrophobicContact CD1-CG 3.98Å; Y165-E381 HydrophobicContact CD2-CG 3.81Å; Y165-E381 HydrophobicContact CE1-CB 4.26Å; Y165-E381 HydrophobicContact CE1-CG 3.97Å; Y165-E381 HydrophobicContact CE2-CG 3.79Å; Y165-E381 HydrophobicContact CG-CB 4.39Å; Y165-E381 HydrophobicContact CG-CG 3.9Å; L377-E381 PolarHBondContact O-N 2.94Å; C379-E381 PolarHBondContact O-N 3.07Å; E381-V383 VanDerWaalsContact C-N 3.34Å; E381-V383 PolarHBondContact O-N 3.17Å; E381-Y384 PolarHBondContact O-N 3.31Å; E381-E385 WeakPolarHBondContact O-CG 3.25Å; E381-E385 PolarHBondContact O-N 3.39Å
382	S	98.3	Very high	97.4	Very high	51 Å²	51	44.2 Å²	44.2	36%	0.357	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-42.3	178.1	179.2	0	0	0	0	112.9	D378 C379 Q386 N421	D378-S382 PolarHBondContact O-N 3.03Å; C379-S382 PolarHBondContact O-N 3.15Å; S382-Q386 PolarHBondContact O-N 2.84Å; S382-Q386 VanDerWaalsContact O-N 3.17Å; S382-N421 PolarHBondContact OG-ND2 2.94Å
383	V	98.2	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-40	-179.6	169.2	0	0	0	0	111.4	C379 T380 E381 Q386 F387 F404 L407 A417 I420 N421 I424	C379-V383 VanDerWaalsContact O-CB 3.3Å; C379-V383 WeakPolarHBondContact O-CB 3.11Å; C379-V383 WeakPolarHBondContact O-CG2 3.04Å; C379-V383 PolarHBondContact O-N 3.41Å; T380-V383 PolarHBondContact O-N 3.46Å; E381-V383 VanDerWaalsContact C-N 3.34Å; E381-V383 PolarHBondContact O-N 3.17Å; V383-Q386 PolarHBondContact O-N 3.32Å; V383-F387 VanDerWaalsContact O-CB 3.32Å; V383-F387 WeakPolarHBondContact O-CB 3.22Å; V383-F387 PolarHBondContact O-N 3.04Å; V383-F404 HydrophobicContact CG1-CE2 4.22Å; V383-L407 HydrophobicContact CG1-CB 3.9Å; V383-L407 HydrophobicContact CG1-CD1 3.89Å; V383-L407 HydrophobicContact CG1-CG 4.42Å; V383-A417 HydrophobicContact CG2-CB 4.06Å; V383-I420 HydrophobicContact CB-CG2 4.45Å; V383-I420 HydrophobicContact CG1-CG2 3.64Å; V383-I420 HydrophobicContact CG2-CB 3.85Å; V383-I420 HydrophobicContact CG2-CD1 3.95Å; V383-I420 HydrophobicContact CG2-CG2 3.84Å; V383-N421 WeakPolarHBondContact CA-OD1 3.46Å; V383-I424 HydrophobicContact CG1-CD1 3.87Å
384	Y	97.8	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-42.4	176.1	-169.4	-102	0	0	0	111.7	L156 E163 Y165 T380 E381 Q386 F387 K388 L394 F404	L156-Y384 HydrophobicContact CD2-CD1 3.73Å; L156-Y384 HydrophobicContact CD2-CD2 3.8Å; L156-Y384 HydrophobicContact CD2-CE1 3.93Å; L156-Y384 HydrophobicContact CD2-CE2 4Å; L156-Y384 HydrophobicContact CD2-CG 3.66Å; E163-Y384 HydrophobicContact CG-CE1 3.67Å; Y165-Y384 HydrophobicContact CE1-CD1 4.07Å; Y165-Y384 WeakPolarHBondContact OH-CD1 3.34Å; T380-Y384 WeakPolarHBondContact O-CB 3.45Å; T380-Y384 PolarHBondContact O-N 3.23Å; E381-Y384 PolarHBondContact O-N 3.31Å; Y384-Q386 VanDerWaalsContact C-N 3.3Å; Y384-Q386 PolarHBondContact O-N 3.45Å; Y384-F387 PolarHBondContact O-N 3.4Å; Y384-K388 HydrophobicContact CD1-CD 4.07Å; Y384-K388 HydrophobicContact CE1-CB 4.23Å; Y384-K388 HydrophobicContact CE1-CD 3.77Å; Y384-K388 HydrophobicContact CE1-CG 4.45Å; Y384-K388 WeakPolarHBondContact O-CB 3.44Å; Y384-K388 WeakPolarHBondContact O-CG 3.44Å; Y384-K388 PolarHBondContact O-N 2.9Å; Y384-L394 WeakPolarHBondContact OH-CB 3.04Å; Y384-L394 PolarHBondContact OH-N 3.17Å; Y384-F404 HydrophobicContact CD2-CD1 4.2Å; Y384-F404 AromaticContact CD2-CD2 3.68Å; Y384-F404 HydrophobicContact CD2-CD2 3.68Å; Y384-F404 HydrophobicContact CD2-CE1 4.05Å; Y384-F404 AromaticContact CD2-CE2 3.56Å; Y384-F404 HydrophobicContact CD2-CE2 3.56Å; Y384-F404 HydrophobicContact CD2-CG 4.04Å; Y384-F404 AromaticContact CD2-CZ 3.76Å; Y384-F404 HydrophobicContact CD2-CZ 3.76Å; Y384-F404 HydrophobicContact CE2-CD2 4.41Å; Y384-F404 HydrophobicContact CG-CE2 4.15Å; Y384-F404 HydrophobicContact CG-CZ 4.09Å
385	E	97.7	Very high	97	Very high	80 Å²	80	39 Å²	39	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-56.8	-43.8	175.1	-73.9	-64	148.6	0	0	111.9	Y165 E381 K388 S389	Y165-E385 PolarHBondContact OH-OE1 3.5Å; E381-E385 WeakPolarHBondContact O-CG 3.25Å; E381-E385 PolarHBondContact O-N 3.39Å; E385-K388 VanDerWaalsContact CD-NZ 3.29Å; E385-K388 WeakPolarHBondContact O-CG 3.39Å; E385-K388 WeakPolarHBondContact OE1-CE 3.49Å; E385-K388 IonicContact OE1-NZ 3.94Å; E385-K388 PolarHBondContact OE1-NZ 3.25Å; E385-K388 WeakPolarHBondContact OE2-CE 3.4Å; E385-K388 IonicContact OE2-NZ 3.41Å; E385-K388 PolarHBondContact OE2-NZ 3.1Å; E385-S389 VanDerWaalsContact O-CB 3.24Å; E385-S389 WeakPolarHBondContact O-CB 3.36Å; E385-S389 PolarHBondContact O-N 3.4Å; E385-S389 VanDerWaalsContact O-N 3.1Å
386	Q	97.8	Very high	96.7	Very high	42 Å²	42	38.7 Å²	38.7	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-45.4	175	-171.4	66.3	36.7	0	0	111.9	S382 V383 Y384 S389 K390 N421 I424 I425	S382-Q386 PolarHBondContact O-N 2.84Å; S382-Q386 VanDerWaalsContact O-N 3.17Å; V383-Q386 PolarHBondContact O-N 3.32Å; Y384-Q386 VanDerWaalsContact C-N 3.3Å; Y384-Q386 PolarHBondContact O-N 3.45Å; Q386-S389 PolarHBondContact O-N 2.87Å; Q386-K390 WeakPolarHBondContact O-CG 3.23Å; Q386-K390 PolarHBondContact O-N 2.92Å; Q386-N421 HydrophobicContact CB-CB 4.38Å; Q386-N421 WeakPolarHBondContact CB-OD1 3.02Å; Q386-N421 HydrophobicContact CG-CB 3.92Å; Q386-N421 WeakPolarHBondContact CG-OD1 3.41Å; Q386-I424 HydrophobicContact CG-CB 4.36Å; Q386-I424 HydrophobicContact CG-CG2 3.95Å; Q386-I425 HydrophobicContact CG-CG1 4.43Å
387	F	97.3	Very high	96.5	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-45.7	-178.6	-171.1	-92.8	0	0	0	111.8	M354 I357 V383 Y384 S389 K390 C391 F392 V400 L407 I424	M354-F387 HydrophobicContact SD-CE2 3.53Å; M354-F387 VanDerWaalsContact SD-CE2 3.53Å; M354-F387 HydrophobicContact SD-CZ 3.8Å; I357-F387 HydrophobicContact CD1-CD2 4.42Å; I357-F387 HydrophobicContact CD1-CE2 3.97Å; V383-F387 VanDerWaalsContact O-CB 3.32Å; V383-F387 WeakPolarHBondContact O-CB 3.22Å; V383-F387 PolarHBondContact O-N 3.04Å; Y384-F387 PolarHBondContact O-N 3.4Å; F387-S389 VanDerWaalsContact C-N 3.31Å; F387-S389 PolarHBondContact O-N 3.46Å; F387-K390 PolarHBondContact O-N 3.41Å; F387-C391 HydrophobicContact CD1-CB 4.38Å; F387-C391 HydrophobicContact CD2-CB 4.06Å; F387-C391 HydrophobicContact CE1-CB 4.14Å; F387-C391 HydrophobicContact CE2-CB 3.81Å; F387-C391 HydrophobicContact CG-CB 4.35Å; F387-C391 HydrophobicContact CZ-CB 3.86Å; F387-C391 WeakPolarHBondContact O-CA 3.42Å; F387-C391 WeakPolarHBondContact O-CB 3.23Å; F387-C391 PolarHBondContact O-N 3.3Å; F387-F392 WeakPolarHBondContact CD1-O 3.42Å; F387-F392 HydrophobicContact CE1-CB 4.16Å; F387-F392 HydrophobicContact CE1-CD2 4.25Å; F387-F392 AromaticContact CZ-CD2 3.98Å; F387-F392 HydrophobicContact CZ-CD2 3.98Å; F387-F392 PolarHBondContact O-N 3.45Å; F387-V400 HydrophobicContact CD1-CG1 4.27Å; F387-V400 HydrophobicContact CE1-CG1 3.73Å; F387-L407 HydrophobicContact CB-CD1 4.45Å; F387-L407 HydrophobicContact CD2-CD1 3.71Å; F387-L407 HydrophobicContact CE2-CD1 4.22Å; F387-L407 HydrophobicContact CG-CD1 4.18Å; F387-I424 HydrophobicContact CB-CD1 4.18Å; F387-I424 HydrophobicContact CD2-CD1 4.24Å; F387-I424 HydrophobicContact CD2-CG1 4.33Å
388	K	95.8	Very high	96.4	Very high	49 Å²	49	38.5 Å²	38.5	21%	0.213	20%	0.201	C	C	.	.	H	α-helix	trans	-69.4	-30.4	178.3	80.9	174.4	171.5	-174.8	0	112.5	E163 Y384 E385 F392 T393	E163-K388 IonicContact OE2-NZ 2.76Å; E163-K388 PolarHBondContact OE2-NZ 3.05Å; Y384-K388 HydrophobicContact CD1-CD 4.07Å; Y384-K388 HydrophobicContact CE1-CB 4.23Å; Y384-K388 HydrophobicContact CE1-CD 3.77Å; Y384-K388 HydrophobicContact CE1-CG 4.45Å; Y384-K388 WeakPolarHBondContact O-CB 3.44Å; Y384-K388 WeakPolarHBondContact O-CG 3.44Å; Y384-K388 PolarHBondContact O-N 2.9Å; E385-K388 VanDerWaalsContact CD-NZ 3.29Å; E385-K388 WeakPolarHBondContact O-CG 3.39Å; E385-K388 WeakPolarHBondContact OE1-CE 3.49Å; E385-K388 IonicContact OE1-NZ 3.94Å; E385-K388 PolarHBondContact OE1-NZ 3.25Å; E385-K388 WeakPolarHBondContact OE2-CE 3.4Å; E385-K388 IonicContact OE2-NZ 3.41Å; E385-K388 PolarHBondContact OE2-NZ 3.1Å; K388-F392 WeakPolarHBondContact CA-O 3.35Å; K388-T393 HydrophobicContact CB-CG2 4.16Å
389	S	96.6	Very high	96.2	Very high	84 Å²	84	36.2 Å²	36.2	59%	0.587	19%	0.188	S	C	*	.	H	α-helix	trans	-72.9	-31.7	176.4	177.6	0	0	0	0	113.4	E385 Q386 F387	E385-S389 VanDerWaalsContact O-CB 3.24Å; E385-S389 WeakPolarHBondContact O-CB 3.36Å; E385-S389 PolarHBondContact O-N 3.4Å; E385-S389 VanDerWaalsContact O-N 3.1Å; Q386-S389 PolarHBondContact O-N 2.87Å; F387-S389 VanDerWaalsContact C-N 3.31Å; F387-S389 PolarHBondContact O-N 3.46Å
390	K	97	Very high	96	Very high	94 Å²	94	35.7 Å²	35.7	41%	0.409	18%	0.184	S	C	.	.	H	α-helix	trans	-109.4	-37.1	-172.3	-61.7	-57.9	-177.4	176.8	0	114.2	Q386 F387 I424 C428	Q386-K390 WeakPolarHBondContact O-CG 3.23Å; Q386-K390 PolarHBondContact O-N 2.92Å; F387-K390 PolarHBondContact O-N 3.41Å; K390-I424 HydrophobicContact CB-CG2 4.27Å; K390-C428 HydrophobicContact CB-CB 3.8Å
391	C	96.6	Very high	95.8	Very high	21 Å²	21	35.6 Å²	35.6	14%	0.142	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-87.6	-173.6	-46.3	0	0	0	0	110.6	F387 C428	F387-C391 HydrophobicContact CD1-CB 4.38Å; F387-C391 HydrophobicContact CD2-CB 4.06Å; F387-C391 HydrophobicContact CE1-CB 4.14Å; F387-C391 HydrophobicContact CE2-CB 3.81Å; F387-C391 HydrophobicContact CG-CB 4.35Å; F387-C391 HydrophobicContact CZ-CB 3.86Å; F387-C391 WeakPolarHBondContact O-CA 3.42Å; F387-C391 WeakPolarHBondContact O-CB 3.23Å; F387-C391 PolarHBondContact O-N 3.3Å; C391-C428 HydrophobicContact CB-CB 4.01Å; C391-C428 WeakPolarHBondContact CB-SG 3.36Å; C391-C428 WeakPolarHBondContact SG-CB 3.44Å; C391-C428 CovalentContact SG-SG 2.04Å; C391-C428 PolarHBondContact SG-SG 3.24Å
392	F	96.6	Very high	95.4	Very high	26 Å²	26	33.5 Å²	33.5	11%	0.114	18%	0.18	C	C	.	.			trans	-147	151.5	-167.1	-48.4	-74.9	0	0	0	111.5	L349 I350 T353 F387 K388 V400	L349-F392 HydrophobicContact CD2-CE1 4.06Å; L349-F392 HydrophobicContact CD2-CZ 4.06Å; L349-F392 HydrophobicContact CG-CE1 4.37Å; L349-F392 HydrophobicContact CG-CZ 3.9Å; I350-F392 HydrophobicContact CB-CD2 4.35Å; I350-F392 HydrophobicContact CB-CE2 4.29Å; I350-F392 HydrophobicContact CD1-CG 4.38Å; I350-F392 HydrophobicContact CG1-CB 4.49Å; I350-F392 HydrophobicContact CG1-CD1 3.93Å; I350-F392 HydrophobicContact CG1-CD2 3.67Å; I350-F392 HydrophobicContact CG1-CE1 4.05Å; I350-F392 HydrophobicContact CG1-CE2 3.79Å; I350-F392 HydrophobicContact CG1-CG 3.75Å; I350-F392 HydrophobicContact CG1-CZ 3.99Å; I350-F392 HydrophobicContact CG2-CD2 4.38Å; T353-F392 HydrophobicContact CG2-CE2 3.97Å; F387-F392 WeakPolarHBondContact CD1-O 3.42Å; F387-F392 HydrophobicContact CE1-CB 4.16Å; F387-F392 HydrophobicContact CE1-CD2 4.25Å; F387-F392 AromaticContact CZ-CD2 3.98Å; F387-F392 HydrophobicContact CZ-CD2 3.98Å; F387-F392 PolarHBondContact O-N 3.45Å; K388-F392 WeakPolarHBondContact CA-O 3.35Å; F392-V400 HydrophobicContact CB-CG2 3.64Å
393	T	95.6	Very high	95.2	Very high	30 Å²	30	33.2 Å²	33.2	18%	0.184	17%	0.173	C	C	.	.			trans	-105.2	155.3	177.5	66.5	0	0	0	0	111.3	K388 Q395 Q396 A397	K388-T393 HydrophobicContact CB-CG2 4.16Å; T393-Q395 VanDerWaalsContact C-N 3.28Å; T393-Q395 PolarHBondContact O-N 3.29Å; T393-Q396 PolarHBondContact O-N 3.45Å; T393-Q396 VanDerWaalsContact OG1-CB 3.3Å; T393-Q396 WeakPolarHBondContact OG1-CB 3.24Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.31Å; T393-Q396 PolarHBondContact OG1-N 3.49Å; T393-Q396 VanDerWaalsContact OG1-N 3.14Å; T393-Q396 PolarHBondContact OG1-OE1 2.96Å; T393-Q396 VanDerWaalsContact OG1-OE1 3.09Å; T393-A397 PolarHBondContact O-N 3.19Å
394	L	94.4	Very high	94.9	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-33.6	176.4	-177.9	61.1	0	0	0	111.8	H151 L156 A158 Y384 A397	H151-L394 HydrophobicContact CB-CD2 4.22Å; H151-L394 HydrophobicContact CB-CG 4.33Å; L156-L394 HydrophobicContact CD1-CD2 3.87Å; A158-L394 HydrophobicContact CB-CD2 3.9Å; Y384-L394 WeakPolarHBondContact OH-CB 3.04Å; Y384-L394 PolarHBondContact OH-N 3.17Å; L394-A397 CarbonylContact O-C 3.26Å; L394-A397 VanDerWaalsContact O-C 3.26Å; L394-A397 PolarHBondContact O-N 3.23Å
395	Q	92.5	Very high	94.8	Very high	66 Å²	66	34.4 Å²	34.4	31%	0.308	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-33.2	178.9	-62.1	76.3	7.6	0	0	111.8	F159 P160 D162 E163 T393	F159-Q395 PolarHBondContact O-NE2 2.95Å; P160-Q395 WeakPolarHBondContact O-CG 3.12Å; D162-Q395 PolarHBondContact O-NE2 2.96Å; E163-Q395 PolarHBondContact OE1-NE2 2.88Å; E163-Q395 PolarHBondContact OE1-OE1 3.01Å; T393-Q395 VanDerWaalsContact C-N 3.28Å; T393-Q395 PolarHBondContact O-N 3.29Å
396	Q	91.6	Very high	94.7	Very high	101 Å²	101	33 Å²	33	47%	0.472	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-40.3	173.1	-78.1	164	-18.2	0	0	111.7	R346 T393	R346-Q396 PolarHBondContact NH1-O 2.99Å; R346-Q396 PolarHBondContact NH2-O 3.37Å; T393-Q396 PolarHBondContact O-N 3.45Å; T393-Q396 VanDerWaalsContact OG1-CB 3.3Å; T393-Q396 WeakPolarHBondContact OG1-CB 3.24Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.31Å; T393-Q396 PolarHBondContact OG1-N 3.49Å; T393-Q396 VanDerWaalsContact OG1-N 3.14Å; T393-Q396 PolarHBondContact OG1-OE1 2.96Å; T393-Q396 VanDerWaalsContact OG1-OE1 3.09Å
397	A	93.9	Very high	94.7	Very high	1 Å²	1	31 Å²	31	1%	0.008	17%	0.169	C	C	.	.			trans	-156.2	103.6	-164	0	0	0	0	0	111	I350 T393 L394 E399 V400	I350-A397 HydrophobicContact CD1-CB 3.6Å; T393-A397 PolarHBondContact O-N 3.19Å; L394-A397 CarbonylContact O-C 3.26Å; L394-A397 VanDerWaalsContact O-C 3.26Å; L394-A397 PolarHBondContact O-N 3.23Å; A397-E399 VanDerWaalsContact C-OE2 3.31Å; A397-E399 WeakPolarHBondContact CA-OE2 3.39Å; A397-E399 VanDerWaalsContact CB-CD 3.46Å; A397-E399 HydrophobicContact CB-CG 4.17Å; A397-E399 WeakPolarHBondContact CB-OE1 3.43Å; A397-E399 PolarHBondContact O-N 3.48Å; A397-E399 VanDerWaalsContact O-N 3.08Å; A397-V400 HydrophobicContact CB-CG2 3.94Å; A397-V400 VanDerWaalsContact O-CB 3.25Å; A397-V400 WeakPolarHBondContact O-CB 3.49Å; A397-V400 VanDerWaalsContact O-CG2 3.3Å; A397-V400 WeakPolarHBondContact O-CG2 3.25Å; A397-V400 PolarHBondContact O-N 2.93Å
398	P	94.1	Very high	94.7	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.058	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.7	179	-30.3	38.6	0	0	0	114.8	R313 P316 V400 G401	R313-P398 HydrophobicContact CB-CB 4.47Å; R313-P398 HydrophobicContact CG-CB 4.43Å; P316-P398 HydrophobicContact CG-CG 4Å; P398-V400 PolarHBondContact O-N 3.17Å; P398-G401 PolarHBondContact O-N 3.45Å
399	E	93.9	Very high	94.7	Very high	23 Å²	23	34.5 Å²	34.5	11%	0.107	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-24	174.6	62.4	-89.8	-151.9	0	0	113.6	R347 I350 A397 G401 G402 H403	R347-E399 HydrophobicContact CG-CG 4.38Å; I350-E399 HydrophobicContact CD1-CG 3.81Å; A397-E399 VanDerWaalsContact C-OE2 3.31Å; A397-E399 WeakPolarHBondContact CA-OE2 3.39Å; A397-E399 VanDerWaalsContact CB-CD 3.46Å; A397-E399 HydrophobicContact CB-CG 4.17Å; A397-E399 WeakPolarHBondContact CB-OE1 3.43Å; A397-E399 PolarHBondContact O-N 3.48Å; A397-E399 VanDerWaalsContact O-N 3.08Å; E399-G401 PolarHBondContact O-N 3.34Å; E399-G402 PolarHBondContact O-N 3.5Å; E399-H403 PolarHBondContact O-CD2 3.07Å; E399-H403 PolarHBondContact O-N 3.46Å
400	V	95.7	Very high	94.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-54.5	-41.4	173.7	169	0	0	0	0	110.9	I350 F387 F392 A397 P398 G402 H403 F404	I350-V400 HydrophobicContact CD1-CG2 3.99Å; I350-V400 HydrophobicContact CG2-CG2 4.4Å; F387-V400 HydrophobicContact CD1-CG1 4.27Å; F387-V400 HydrophobicContact CE1-CG1 3.73Å; F392-V400 HydrophobicContact CB-CG2 3.64Å; A397-V400 HydrophobicContact CB-CG2 3.94Å; A397-V400 VanDerWaalsContact O-CB 3.25Å; A397-V400 WeakPolarHBondContact O-CB 3.49Å; A397-V400 VanDerWaalsContact O-CG2 3.3Å; A397-V400 WeakPolarHBondContact O-CG2 3.25Å; A397-V400 PolarHBondContact O-N 2.93Å; P398-V400 PolarHBondContact O-N 3.17Å; V400-G402 PolarHBondContact O-N 2.98Å; V400-H403 PolarHBondContact O-N 2.9Å; V400-F404 WeakPolarHBondContact O-CB 3.26Å; V400-F404 PolarHBondContact O-N 3.2Å
401	G	91.9	Very high	94.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-34.1	179.3	0	0	0	0	0	113	R313 P398 E399 F404	R313-G401 VanDerWaalsContact NH2-C 3.31Å; P398-G401 PolarHBondContact O-N 3.45Å; E399-G401 PolarHBondContact O-N 3.34Å; G401-F404 PolarHBondContact O-N 3.06Å
402	G	91.1	Very high	94.9	Very high	23 Å²	23	27.4 Å²	27.4	24%	0.237	15%	0.148	C	C	.	.	H	α-helix	trans	-72.5	-39.4	179.8	0	0	0	0	0	112.7	R313 E399 V400 F404 S405	R313-G402 VanDerWaalsContact CZ-N 3.27Å; R313-G402 VanDerWaalsContact NH2-N 3.15Å; E399-G402 PolarHBondContact O-N 3.5Å; V400-G402 PolarHBondContact O-N 2.98Å; G402-F404 VanDerWaalsContact C-N 3.34Å; G402-S405 WeakPolarHBondContact O-CB 3.31Å; G402-S405 PolarHBondContact O-OG 2.92Å
403	H	92.1	Very high	95	Very high	45 Å²	45	29.2 Å²	29.2	21%	0.208	16%	0.159	C	C	.	.	H	α-helix	trans	-73.1	-29.3	173.6	-68.7	-66.8	0	0	0	112.7	M354 E399 V400 S405 T406	M354-H403 HydrophobicContact CB-CB 4.42Å; M354-H403 HydrophobicContact CE-CB 4.21Å; M354-H403 WeakPolarHBondContact CE-O 3.29Å; M354-H403 HydrophobicContact CG-CB 3.66Å; M354-H403 HydrophobicContact SD-CB 4.14Å; E399-H403 PolarHBondContact O-CD2 3.07Å; E399-H403 PolarHBondContact O-N 3.46Å; V400-H403 PolarHBondContact O-N 2.9Å; H403-S405 PolarHBondContact O-N 2.93Å; H403-T406 WeakPolarHBondContact O-CB 3.32Å; H403-T406 PolarHBondContact O-N 2.87Å; H403-T406 PolarHBondContact O-OG1 3.49Å
404	F	93.5	Very high	95.1	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-26.2	177.6	-170.4	-109.7	0	0	0	112.7	A153 L156 T380 V383 Y384 V400 G401 G402 T406 L407 Y408	A153-F404 HydrophobicContact CB-CD1 4.04Å; L156-F404 HydrophobicContact CD2-CE1 4.42Å; T380-F404 HydrophobicContact CG2-CE1 3.46Å; T380-F404 VanDerWaalsContact CG2-CE1 3.46Å; T380-F404 HydrophobicContact CG2-CZ 3.59Å; V383-F404 HydrophobicContact CG1-CE2 4.22Å; Y384-F404 HydrophobicContact CD2-CD1 4.2Å; Y384-F404 AromaticContact CD2-CD2 3.68Å; Y384-F404 HydrophobicContact CD2-CD2 3.68Å; Y384-F404 HydrophobicContact CD2-CE1 4.05Å; Y384-F404 AromaticContact CD2-CE2 3.56Å; Y384-F404 HydrophobicContact CD2-CE2 3.56Å; Y384-F404 HydrophobicContact CD2-CG 4.04Å; Y384-F404 AromaticContact CD2-CZ 3.76Å; Y384-F404 HydrophobicContact CD2-CZ 3.76Å; Y384-F404 HydrophobicContact CE2-CD2 4.41Å; Y384-F404 HydrophobicContact CG-CE2 4.15Å; Y384-F404 HydrophobicContact CG-CZ 4.09Å; V400-F404 WeakPolarHBondContact O-CB 3.26Å; V400-F404 PolarHBondContact O-N 3.2Å; G401-F404 PolarHBondContact O-N 3.06Å; G402-F404 VanDerWaalsContact C-N 3.34Å; F404-T406 PolarHBondContact O-N 3.01Å; F404-T406 VanDerWaalsContact O-N 3.15Å; F404-L407 HydrophobicContact CD2-CB 4.1Å; F404-L407 HydrophobicContact CD2-CD1 3.91Å; F404-L407 HydrophobicContact CD2-CG 4.4Å; F404-L407 HydrophobicContact CE2-CB 4.03Å; F404-L407 HydrophobicContact CE2-CD1 4.07Å; F404-L407 PolarHBondContact O-N 3.27Å; F404-Y408 PolarHBondContact O-N 3.27Å
405	S	94.4	Very high	95.3	Very high	25 Å²	25	30.2 Å²	30.2	18%	0.175	17%	0.166	C	C	.	.	H	α-helix	trans	-53.5	-32.1	170.5	-57.9	0	0	0	0	113.8	P154 G402 H403 N409	P154-S405 WeakPolarHBondContact CG-OG 3.41Å; G402-S405 WeakPolarHBondContact O-CB 3.31Å; G402-S405 PolarHBondContact O-OG 2.92Å; H403-S405 PolarHBondContact O-N 2.93Å; S405-N409 WeakPolarHBondContact O-CB 3.46Å; S405-N409 PolarHBondContact O-N 3.49Å; S405-N409 PolarHBondContact O-ND2 3.47Å
406	T	96.4	Very high	95.5	Very high	50 Å²	50	30.7 Å²	30.7	31%	0.307	17%	0.174	S	C	.	.	H	α-helix	trans	-66.2	-42.4	174.3	-57.3	0	0	0	0	111.8	V358 H403 F404 N409 Y410	V358-T406 HydrophobicContact CG2-CG2 3.7Å; H403-T406 WeakPolarHBondContact O-CB 3.32Å; H403-T406 PolarHBondContact O-N 2.87Å; H403-T406 PolarHBondContact O-OG1 3.49Å; F404-T406 PolarHBondContact O-N 3.01Å; F404-T406 VanDerWaalsContact O-N 3.15Å; T406-N409 PolarHBondContact O-N 2.85Å; T406-Y410 HydrophobicContact CG2-CD2 4.47Å; T406-Y410 HydrophobicContact CG2-CE2 3.86Å; T406-Y410 WeakPolarHBondContact O-CD2 3.44Å; T406-Y410 PolarHBondContact O-N 3.24Å
407	L	97.3	Very high	95.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.4	-40.1	179	-57.9	-175.2	0	0	0	111.7	M354 I357 V383 F387 F404 N409 Y410 C411 I420 I424	M354-L407 HydrophobicContact CE-CD1 4.48Å; M354-L407 HydrophobicContact CE-CD2 4.01Å; M354-L407 HydrophobicContact CE-CG 3.98Å; I357-L407 HydrophobicContact CG2-CD2 4Å; V383-L407 HydrophobicContact CG1-CB 3.9Å; V383-L407 HydrophobicContact CG1-CD1 3.89Å; V383-L407 HydrophobicContact CG1-CG 4.42Å; F387-L407 HydrophobicContact CB-CD1 4.45Å; F387-L407 HydrophobicContact CD2-CD1 3.71Å; F387-L407 HydrophobicContact CE2-CD1 4.22Å; F387-L407 HydrophobicContact CG-CD1 4.18Å; F404-L407 HydrophobicContact CD2-CB 4.1Å; F404-L407 HydrophobicContact CD2-CD1 3.91Å; F404-L407 HydrophobicContact CD2-CG 4.4Å; F404-L407 HydrophobicContact CE2-CB 4.03Å; F404-L407 HydrophobicContact CE2-CD1 4.07Å; F404-L407 PolarHBondContact O-N 3.27Å; L407-N409 VanDerWaalsContact C-N 3.27Å; L407-N409 PolarHBondContact O-N 2.95Å; L407-Y410 HydrophobicContact CD2-CD2 4.19Å; L407-Y410 PolarHBondContact O-N 3.04Å; L407-C411 PolarHBondContact O-N 2.77Å; L407-C411 VanDerWaalsContact O-N 3.09Å; L407-I420 HydrophobicContact CD2-CG2 4.11Å; L407-I424 HydrophobicContact CD1-CD1 4.14Å
408	Y	97.5	Very high	96	Very high	39 Å²	39	33.5 Å²	33.5	15%	0.153	19%	0.19	C	C	.	.	H	α-helix	trans	-56.2	-42.3	170.8	-179.5	-86.2	0	0	0	111.8	P154 T376 L377 T380 F404 Y410 C411 A412	P154-Y408 HydrophobicContact CB-CD1 4.08Å; P154-Y408 HydrophobicContact CB-CD2 3.46Å; P154-Y408 VanDerWaalsContact CB-CD2 3.46Å; P154-Y408 HydrophobicContact CB-CE2 4.05Å; P154-Y408 HydrophobicContact CB-CG 3.48Å; P154-Y408 VanDerWaalsContact CB-CG 3.48Å; P154-Y408 HydrophobicContact CG-CG 4.42Å; T376-Y408 HydrophobicContact CG2-CD2 4.37Å; T376-Y408 HydrophobicContact CG2-CE1 4.16Å; T376-Y408 HydrophobicContact CG2-CE2 3.8Å; L377-Y408 HydrophobicContact CD2-CE2 4.46Å; T380-Y408 HydrophobicContact CG2-CD2 3.78Å; T380-Y408 HydrophobicContact CG2-CE2 4.45Å; T380-Y408 VanDerWaalsContact OG1-CD2 3.26Å; T380-Y408 WeakPolarHBondContact OG1-CD2 3.46Å; F404-Y408 PolarHBondContact O-N 3.27Å; Y408-Y410 PolarHBondContact O-N 3.41Å; Y408-C411 WeakPolarHBondContact O-CB 3.24Å; Y408-C411 PolarHBondContact O-N 3.27Å; Y408-A412 PolarHBondContact O-N 3.3Å
409	N	97	Very high	96.2	Very high	85 Å²	85	34.6 Å²	34.6	46%	0.455	20%	0.197	S	C	.	.	H	α-helix	trans	-65.5	-37.3	178.1	-71.9	-22.1	0	0	0	112.5	S405 T406 L407 C411 A412 D413	S405-N409 WeakPolarHBondContact O-CB 3.46Å; S405-N409 PolarHBondContact O-N 3.49Å; S405-N409 PolarHBondContact O-ND2 3.47Å; T406-N409 PolarHBondContact O-N 2.85Å; L407-N409 VanDerWaalsContact C-N 3.27Å; L407-N409 PolarHBondContact O-N 2.95Å; N409-C411 VanDerWaalsContact C-N 3.34Å; N409-C411 PolarHBondContact O-N 2.98Å; N409-A412 PolarHBondContact O-N 2.92Å; N409-D413 WeakPolarHBondContact O-CB 3.49Å; N409-D413 PolarHBondContact O-N 3Å
410	Y	98.1	Very high	96.4	Very high	24 Å²	24	33.5 Å²	33.5	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-44.4	171.5	-69.1	-49.9	0	0	0	111.6	M361 T406 L407 Y408 A412 D413 G414 Y415	M361-Y410 HydrophobicContact CB-CE1 4.08Å; M361-Y410 HydrophobicContact CB-CE2 3.93Å; M361-Y410 HydrophobicContact CE-CD1 4.19Å; M361-Y410 HydrophobicContact CE-CD2 4.27Å; M361-Y410 HydrophobicContact CE-CE1 4.5Å; M361-Y410 HydrophobicContact CE-CG 4.08Å; M361-Y410 HydrophobicContact CG-CD2 4.16Å; M361-Y410 HydrophobicContact CG-CE2 3.71Å; T406-Y410 HydrophobicContact CG2-CD2 4.47Å; T406-Y410 HydrophobicContact CG2-CE2 3.86Å; T406-Y410 WeakPolarHBondContact O-CD2 3.44Å; T406-Y410 PolarHBondContact O-N 3.24Å; L407-Y410 HydrophobicContact CD2-CD2 4.19Å; L407-Y410 PolarHBondContact O-N 3.04Å; Y408-Y410 PolarHBondContact O-N 3.41Å; Y410-A412 VanDerWaalsContact C-N 3.31Å; Y410-A412 PolarHBondContact O-N 3.41Å; Y410-D413 PolarHBondContact O-N 3.44Å; Y410-G414 PolarHBondContact O-N 3.28Å; Y410-Y415 AromaticContact CD1-CD2 3.87Å; Y410-Y415 HydrophobicContact CD1-CD2 3.87Å; Y410-Y415 AromaticContact CD1-CE2 3.77Å; Y410-Y415 HydrophobicContact CD1-CE2 3.77Å; Y410-Y415 HydrophobicContact CE1-CE2 4.46Å; Y410-Y415 HydrophobicContact CG-CD2 4.37Å; Y410-Y415 WeakPolarHBondContact O-CB 3.48Å; Y410-Y415 VanDerWaalsContact O-CD2 3.31Å; Y410-Y415 WeakPolarHBondContact O-CD2 3.33Å; Y410-Y415 PolarHBondContact O-N 2.94Å
411	C	98.2	Very high	96.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-44.4	172.8	-71.6	0	0	0	0	111.9	A371 T376 C379 T380 L407 Y408 N409 D413 G414	A371-C411 WeakPolarHBondContact CB-O 3.47Å; T376-C411 HydrophobicContact CG2-CB 4.13Å; C379-C411 HydrophobicContact CB-CB 3.56Å; C379-C411 WeakPolarHBondContact CB-SG 3.39Å; C379-C411 WeakPolarHBondContact SG-CA 3.29Å; C379-C411 WeakPolarHBondContact SG-CB 3.4Å; C379-C411 CovalentContact SG-SG 2.04Å; C379-C411 PolarHBondContact SG-SG 3.4Å; T380-C411 PolarHBondContact N-SG 2.74Å; T380-C411 VanDerWaalsContact N-SG 3.44Å; L407-C411 PolarHBondContact O-N 2.77Å; L407-C411 VanDerWaalsContact O-N 3.09Å; Y408-C411 WeakPolarHBondContact O-CB 3.24Å; Y408-C411 PolarHBondContact O-N 3.27Å; N409-C411 VanDerWaalsContact C-N 3.34Å; N409-C411 PolarHBondContact O-N 2.98Å; C411-D413 PolarHBondContact O-N 3.21Å; C411-G414 PolarHBondContact O-N 3.01Å; C411-G414 VanDerWaalsContact O-N 3.17Å
412	A	97.5	Very high	96.8	Very high	25 Å²	25	39.5 Å²	39.5	21%	0.207	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-34	179.3	0	0	0	0	0	113.5	A371 T376 Y408 N409 Y410 G414	A371-A412 PolarHBondContact N-O 2.86Å; A371-A412 VanDerWaalsContact N-O 3.09Å; T376-A412 HydrophobicContact CG2-CB 3.93Å; Y408-A412 PolarHBondContact O-N 3.3Å; N409-A412 PolarHBondContact O-N 2.92Å; Y410-A412 VanDerWaalsContact C-N 3.31Å; Y410-A412 PolarHBondContact O-N 3.41Å; A412-G414 PolarHBondContact O-N 2.98Å
413	D	97.8	Very high	97.2	Very high	64 Å²	64	38.5 Å²	38.5	34%	0.342	21%	0.21	S	C	.	.	H	α-helix	trans	-77.1	-3.3	176.5	-73.8	-25.2	0	0	0	113	P367 K370 N409 Y410 C411 Y415	P367-D413 WeakPolarHBondContact CB-O 3.39Å; K370-D413 IonicContact NZ-OD1 2.77Å; K370-D413 PolarHBondContact NZ-OD1 3.24Å; N409-D413 WeakPolarHBondContact O-CB 3.49Å; N409-D413 PolarHBondContact O-N 3Å; Y410-D413 PolarHBondContact O-N 3.44Å; C411-D413 PolarHBondContact O-N 3.21Å; D413-Y415 HydrophobicContact CB-CD2 4.27Å; D413-Y415 HydrophobicContact CB-CE2 4.29Å
414	G	98	Very high	97.5	Very high	23 Å²	23	36.4 Å²	36.4	24%	0.237	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	9.2	170.8	0	0	0	0	0	115	Y410 C411 A412	Y410-G414 PolarHBondContact O-N 3.28Å; C411-G414 PolarHBondContact O-N 3.01Å; C411-G414 VanDerWaalsContact O-N 3.17Å; A412-G414 PolarHBondContact O-N 2.98Å
415	Y	98.3	Very high	97.7	Very high	29 Å²	29	40 Å²	40	11%	0.114	22%	0.219	C	C	.	.			trans	-67.4	143	173.1	-69.4	-93.6	0	0	0	109.5	M361 E364 P367 Y410 D413 T419	M361-Y415 HydrophobicContact CE-CD1 3.49Å; M361-Y415 VanDerWaalsContact CE-CD1 3.49Å; M361-Y415 HydrophobicContact CE-CE1 3.85Å; M361-Y415 HydrophobicContact CE-CG 3.89Å; E364-Y415 HydrophobicContact CB-CE1 4.13Å; P367-Y415 VanDerWaalsContact CD-CE2 3.48Å; P367-Y415 HydrophobicContact CG-CD1 3.95Å; P367-Y415 HydrophobicContact CG-CD2 3.72Å; P367-Y415 HydrophobicContact CG-CE1 4.16Å; P367-Y415 HydrophobicContact CG-CE2 3.94Å; P367-Y415 HydrophobicContact CG-CG 3.74Å; Y410-Y415 AromaticContact CD1-CD2 3.87Å; Y410-Y415 HydrophobicContact CD1-CD2 3.87Å; Y410-Y415 AromaticContact CD1-CE2 3.77Å; Y410-Y415 HydrophobicContact CD1-CE2 3.77Å; Y410-Y415 HydrophobicContact CE1-CE2 4.46Å; Y410-Y415 HydrophobicContact CG-CD2 4.37Å; Y410-Y415 WeakPolarHBondContact O-CB 3.48Å; Y410-Y415 VanDerWaalsContact O-CD2 3.31Å; Y410-Y415 WeakPolarHBondContact O-CD2 3.33Å; Y410-Y415 PolarHBondContact O-N 2.94Å; D413-Y415 HydrophobicContact CB-CD2 4.27Å; D413-Y415 HydrophobicContact CB-CE2 4.29Å; Y415-T419 HydrophobicContact CD1-CG2 4.47Å
416	T	97.6	Very high	97.8	Very high	76 Å²	76	46.3 Å²	46.3	47%	0.466	24%	0.243	S	C	.	.			trans	-75.9	151.2	177.1	75.8	0	0	0	0	110.6	E418 T419 I420	T416-E418 PolarHBondContact O-N 2.95Å; T416-T419 PolarHBondContact O-N 3.27Å; T416-T419 PolarHBondContact OG1-N 2.86Å; T416-T419 PolarHBondContact OG1-OG1 3.2Å; T416-I420 WeakPolarHBondContact O-CG1 3.48Å; T416-I420 PolarHBondContact O-N 3.03Å
417	A	98.1	Very high	97.9	Very high	20 Å²	20	46.5 Å²	46.5	17%	0.165	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-34.3	173.3	0	0	0	0	0	111.8	V383 I420 N421	V383-A417 HydrophobicContact CG2-CB 4.06Å; A417-I420 PolarHBondContact O-N 2.99Å; A417-N421 VanDerWaalsContact O-ND2 3.14Å; A417-N421 PolarHBondContact O-OD1 3.46Å; A417-N421 PolarHBondContact O-ND2 3.43Å; A417-N421 PolarHBondContact O-N 2.96Å; A417-N421 WeakPolarHBondContact O-CB 3.45Å
418	E	98.1	Very high	97.9	Very high	141 Å²	141	48 Å²	48	66%	0.659	25%	0.252	S	S	*	.	H	α-helix	trans	-58.5	-53.7	176.3	-175.9	172.8	-165.1	0	0	111.4	T416 I420 N421 E422	T416-E418 PolarHBondContact O-N 2.95Å; E418-I420 VanDerWaalsContact C-N 3.35Å; E418-I420 PolarHBondContact O-N 3.28Å; E418-N421 PolarHBondContact O-N 3.2Å; E418-N421 VanDerWaalsContact O-N 3.17Å; E418-E422 WeakPolarHBondContact O-CG 3.46Å; E418-E422 PolarHBondContact O-N 2.91Å
419	T	98	Very high	97.4	Very high	32 Å²	32	50.9 Å²	50.9	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-56.9	-45.9	178	-52.4	0	0	0	0	112.2	M361 E364 Y415 T416 E422 A423	M361-T419 HydrophobicContact CE-CG2 4.31Å; E364-T419 HydrophobicContact CB-CG2 4.11Å; E364-T419 HydrophobicContact CG-CG2 3.72Å; Y415-T419 HydrophobicContact CD1-CG2 4.47Å; T416-T419 PolarHBondContact O-N 3.27Å; T416-T419 PolarHBondContact OG1-N 2.86Å; T416-T419 PolarHBondContact OG1-OG1 3.2Å; T419-E422 PolarHBondContact O-N 3.36Å; T419-A423 PolarHBondContact O-N 3.45Å
420	I	98.3	Very high	97.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-40.8	179.9	-58.6	163.6	0	0	0	110.5	M361 V383 L407 T416 A417 E418 E422 A423 I424	M361-I420 HydrophobicContact CE-CG1 3.85Å; M361-I420 HydrophobicContact SD-CG1 4.31Å; V383-I420 HydrophobicContact CB-CG2 4.45Å; V383-I420 HydrophobicContact CG1-CG2 3.64Å; V383-I420 HydrophobicContact CG2-CB 3.85Å; V383-I420 HydrophobicContact CG2-CD1 3.95Å; V383-I420 HydrophobicContact CG2-CG2 3.84Å; L407-I420 HydrophobicContact CD2-CG2 4.11Å; T416-I420 WeakPolarHBondContact O-CG1 3.48Å; T416-I420 PolarHBondContact O-N 3.03Å; A417-I420 PolarHBondContact O-N 2.99Å; E418-I420 VanDerWaalsContact C-N 3.35Å; E418-I420 PolarHBondContact O-N 3.28Å; I420-E422 PolarHBondContact O-N 2.88Å; I420-A423 WeakPolarHBondContact O-CB 3.42Å; I420-A423 PolarHBondContact O-N 2.92Å; I420-I424 HydrophobicContact CG2-CD1 4.04Å; I420-I424 WeakPolarHBondContact O-CG1 3.43Å; I420-I424 PolarHBondContact O-N 3.49Å
421	N	98.3	Very high	97.3	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.102	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-36.2	179	-73.1	-17.5	0	0	0	112.2	S382 V383 Q386 A417 E418 A423 I424 I425	S382-N421 PolarHBondContact OG-ND2 2.94Å; V383-N421 WeakPolarHBondContact CA-OD1 3.46Å; Q386-N421 HydrophobicContact CB-CB 4.38Å; Q386-N421 WeakPolarHBondContact CB-OD1 3.02Å; Q386-N421 HydrophobicContact CG-CB 3.92Å; Q386-N421 WeakPolarHBondContact CG-OD1 3.41Å; A417-N421 VanDerWaalsContact O-ND2 3.14Å; A417-N421 PolarHBondContact O-OD1 3.46Å; A417-N421 PolarHBondContact O-ND2 3.43Å; A417-N421 PolarHBondContact O-N 2.96Å; A417-N421 WeakPolarHBondContact O-CB 3.45Å; E418-N421 PolarHBondContact O-N 3.2Å; E418-N421 VanDerWaalsContact O-N 3.17Å; N421-A423 VanDerWaalsContact C-N 3.34Å; N421-I424 PolarHBondContact O-N 2.88Å; N421-I425 WeakPolarHBondContact O-CB 3.33Å; N421-I425 WeakPolarHBondContact O-CD1 3.29Å; N421-I425 WeakPolarHBondContact O-CG1 3.42Å; N421-I425 PolarHBondContact O-N 3.44Å
422	E	98	Very high	97.3	Very high	108 Å²	108	53.3 Å²	53.3	51%	0.505	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-43.3	172.2	-74.3	-177.6	165.5	0	0	111.6	E418 T419 I420 I425 K426	E418-E422 WeakPolarHBondContact O-CG 3.46Å; E418-E422 PolarHBondContact O-N 2.91Å; T419-E422 PolarHBondContact O-N 3.36Å; I420-E422 PolarHBondContact O-N 2.88Å; E422-I425 PolarHBondContact O-N 3.37Å; E422-K426 WeakPolarHBondContact O-CB 3.34Å; E422-K426 PolarHBondContact O-N 3.37Å; E422-K426 VanDerWaalsContact O-CB 3.3Å
423	A	98.1	Very high	97.3	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-42.3	174.7	0	0	0	0	0	111.9	I357 V360 M361 T419 I420 N421 K426 I427	I357-A423 HydrophobicContact CG2-CB 4.3Å; V360-A423 HydrophobicContact CB-CB 4.04Å; V360-A423 HydrophobicContact CG1-CB 3.66Å; M361-A423 HydrophobicContact CG-CB 4.13Å; M361-A423 HydrophobicContact SD-CB 3.74Å; T419-A423 PolarHBondContact O-N 3.45Å; I420-A423 WeakPolarHBondContact O-CB 3.42Å; I420-A423 PolarHBondContact O-N 2.92Å; N421-A423 VanDerWaalsContact C-N 3.34Å; A423-K426 PolarHBondContact O-N 2.97Å; A423-I427 WeakPolarHBondContact O-CG1 3.49Å; A423-I427 PolarHBondContact O-N 3.29Å
424	I	98.2	Very high	97.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-49.6	175.2	-69.8	166.6	0	0	0	111	I357 V383 Q386 F387 K390 L407 I420 N421 K426 I427 C428	I357-I424 HydrophobicContact CD1-CG1 4.14Å; V383-I424 HydrophobicContact CG1-CD1 3.87Å; Q386-I424 HydrophobicContact CG-CB 4.36Å; Q386-I424 HydrophobicContact CG-CG2 3.95Å; F387-I424 HydrophobicContact CB-CD1 4.18Å; F387-I424 HydrophobicContact CD2-CD1 4.24Å; F387-I424 HydrophobicContact CD2-CG1 4.33Å; K390-I424 HydrophobicContact CB-CG2 4.27Å; L407-I424 HydrophobicContact CD1-CD1 4.14Å; I420-I424 HydrophobicContact CG2-CD1 4.04Å; I420-I424 WeakPolarHBondContact O-CG1 3.43Å; I420-I424 PolarHBondContact O-N 3.49Å; N421-I424 PolarHBondContact O-N 2.88Å; I424-K426 VanDerWaalsContact C-N 3.3Å; I424-K426 PolarHBondContact O-N 3.2Å; I424-I427 PolarHBondContact O-N 2.99Å; I424-C428 WeakPolarHBondContact O-CB 3.3Å; I424-C428 PolarHBondContact O-N 2.97Å
425	I	98	Very high	97.2	Very high	78 Å²	78	56.5 Å²	56.5	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-39.3	179.8	-69.2	162.7	0	0	0	110.7	Q386 N421 E422 I427 G429	Q386-I425 HydrophobicContact CG-CG1 4.43Å; N421-I425 WeakPolarHBondContact O-CB 3.33Å; N421-I425 WeakPolarHBondContact O-CD1 3.29Å; N421-I425 WeakPolarHBondContact O-CG1 3.42Å; N421-I425 PolarHBondContact O-N 3.44Å; E422-I425 PolarHBondContact O-N 3.37Å; I425-I427 PolarHBondContact O-N 3.11Å; I425-G429 WeakPolarHBondContact O-CA 3.12Å; I425-G429 PolarHBondContact O-N 2.7Å
426	K	97.8	Very high	97.1	Very high	156 Å²	156	58.4 Å²	58.4	68%	0.678	34%	0.337	S	S	*	.	H	α-helix	trans	-62.2	-31.9	179	-176.5	173.2	-178.8	174.7	0	113.2	V360 E422 A423 I424	V360-K426 HydrophobicContact CG1-CD 4.26Å; V360-K426 HydrophobicContact CG2-CD 4.11Å; E422-K426 WeakPolarHBondContact O-CB 3.34Å; E422-K426 PolarHBondContact O-N 3.37Å; E422-K426 VanDerWaalsContact O-CB 3.3Å; A423-K426 PolarHBondContact O-N 2.97Å; I424-K426 VanDerWaalsContact C-N 3.3Å; I424-K426 PolarHBondContact O-N 3.2Å
427	I	97.7	Very high	97.1	Very high	54 Å²	54	57.1 Å²	57.1	28%	0.277	33%	0.327	S	S	.	.	H	α-helix	trans	-95.3	-38.8	-176.9	-58.8	-51.6	0	0	0	112.3	T353 L356 I357 V360 A423 I424 I425	T353-I427 HydrophobicContact CG2-CG2 3.91Å; L356-I427 HydrophobicContact CB-CD1 3.87Å; L356-I427 HydrophobicContact CB-CG1 4.06Å; L356-I427 HydrophobicContact CB-CG2 3.92Å; L356-I427 HydrophobicContact CD1-CG2 4.16Å; I357-I427 HydrophobicContact CG1-CB 4.12Å; I357-I427 HydrophobicContact CG1-CG1 4.02Å; I357-I427 HydrophobicContact CG1-CG2 4.41Å; V360-I427 HydrophobicContact CG2-CD1 3.99Å; V360-I427 HydrophobicContact CG2-CG1 4.3Å; A423-I427 WeakPolarHBondContact O-CG1 3.49Å; A423-I427 PolarHBondContact O-N 3.29Å; I424-I427 PolarHBondContact O-N 2.99Å; I425-I427 PolarHBondContact O-N 3.11Å
428	C	97.1	Very high	97	Very high	32 Å²	32	60.2 Å²	60.2	22%	0.216	34%	0.34	C	S	.	.	H	α-helix	trans	-109.5	-5.8	-173.1	-57.3	0	0	0	0	114.7	T353 K390 C391 I424	T353-C428 VanDerWaalsContact CG2-SG 3.51Å; K390-C428 HydrophobicContact CB-CB 3.8Å; C391-C428 HydrophobicContact CB-CB 4.01Å; C391-C428 WeakPolarHBondContact CB-SG 3.36Å; C391-C428 WeakPolarHBondContact SG-CB 3.44Å; C391-C428 CovalentContact SG-SG 2.04Å; C391-C428 PolarHBondContact SG-SG 3.24Å; I424-C428 WeakPolarHBondContact O-CB 3.3Å; I424-C428 PolarHBondContact O-N 2.97Å
429	G	86.3	Confident	96.9	Very high	100 Å²	100	52.8 Å²	52.8	100%	1.031	31%	0.311	S	S	*	.			trans	-87.8	0	-171.1	0	0	0	0	0	116.2	I425	I425-G429 WeakPolarHBondContact O-CA 3.12Å; I425-G429 PolarHBondContact O-N 2.7Å

Retrieved 429 of 429 residues in 313.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).