A0A5K4F8B0_SCHMA Loading...

Membrane protein UL56

AlphaFold DB , UniProt , Accession A0A5K4F8B0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 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	40.8	Very low	49.8	Very low	243 Å²	243	145.3 Å²	145.3	100%	1.197	77%	0.771	S	S	*	*				0	123.5	0	-127.4	165.6	166.8	0	0	107.5	L3	M1-L3 PolarHBondContact O-N 3.2Å
2	K	36	Very low	50.3	Low	198 Å²	198	143 Å²	143	86%	0.861	76%	0.758	S	S	*	*			trans	-61	124.8	177.6	-77	171.7	171.8	173.8	0	109.7
3	L	45.3	Very low	50.7	Low	162 Å²	162	141.2 Å²	141.2	85%	0.848	74%	0.74	S	S	*	*			trans	-130.1	68.5	160.9	-109.7	146.6	0	0	0	108.7	M1	M1-L3 PolarHBondContact O-N 3.2Å
4	V	42.7	Very low	51	Low	133 Å²	133	137.1 Å²	137.1	81%	0.806	72%	0.724	S	S	*	*			trans	-67.9	114.3	155.4	175.3	0	0	0	0	106.2
5	S	44.8	Very low	51.3	Low	88 Å²	88	133.3 Å²	133.3	62%	0.615	71%	0.712	S	S	*	*			trans	170.7	12.2	145.5	66.3	0	0	0	0	117.3	Q7	S5-Q7 PolarHBondContact O-N 2.95Å
6	M	51.9	Low	51.4	Low	177 Å²	177	130.9 Å²	130.9	87%	0.872	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	16.6	-177.6	-81.8	-169.2	129.9	0	0	116.5
7	Q	54.7	Low	51.6	Low	180 Å²	180	128.5 Å²	128.5	84%	0.841	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-4.9	179.9	-77.9	-173.4	-17.2	0	0	115.6	S5	S5-Q7 PolarHBondContact O-N 2.95Å
8	S	56	Low	51.7	Low	95 Å²	95	124.7 Å²	124.7	66%	0.664	67%	0.666	S	S	*	*	S	Bend	trans	-86.4	-16.6	-174.8	58.7	0	0	0	0	115.3
9	S	58.6	Low	51.4	Low	83 Å²	83	121.7 Å²	121.7	58%	0.58	66%	0.656	S	S	*	*	H	α-helix	trans	-83.5	-25.4	-175.4	55.6	0	0	0	0	114.3	W11 L12	S9-W11 PolarHBondContact O-N 3.36Å; S9-L12 PolarHBondContact O-N 3.17Å
10	G	58.2	Low	51.1	Low	44 Å²	44	121 Å²	121	45%	0.454	65%	0.65	S	S	.	*	H	α-helix	trans	-65.7	-37.4	179.6	0	0	0	0	0	113.6	L12 F13 V14	G10-L12 VanDerWaalsContact C-N 3.35Å; G10-L12 PolarHBondContact O-N 2.98Å; G10-F13 PolarHBondContact O-N 2.88Å; G10-V14 WeakPolarHBondContact O-CG2 3.39Å; G10-V14 PolarHBondContact O-N 2.96Å
11	W	59	Low	50.9	Low	195 Å²	195	120.5 Å²	120.5	74%	0.739	65%	0.647	S	S	*	*	H	α-helix	trans	-69.7	-32.3	179.3	-71	92	0	0	0	112.8	S9 F13 V14 C15	S9-W11 PolarHBondContact O-N 3.36Å; W11-F13 VanDerWaalsContact C-N 3.29Å; W11-F13 PolarHBondContact O-N 3.28Å; W11-V14 PolarHBondContact O-N 3.11Å; W11-C15 PolarHBondContact O-N 2.88Å; W11-C15 PolarHBondContact O-SG 2.93Å; W11-C15 VanDerWaalsContact O-SG 3.35Å
12	L	55.4	Low	50.8	Low	118 Å²	118	115.9 Å²	115.9	62%	0.618	63%	0.626	S	S	*	*	H	α-helix	trans	-67.5	-33.3	178.7	-147	133.6	0	0	0	111.3	S9 G10 L16	S9-L12 PolarHBondContact O-N 3.17Å; G10-L12 VanDerWaalsContact C-N 3.35Å; G10-L12 PolarHBondContact O-N 2.98Å; L12-L16 HydrophobicContact CD2-CD1 3.92Å; L12-L16 WeakPolarHBondContact O-CB 2.95Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.09Å; L12-L16 VanDerWaalsContact O-N 3.1Å
13	F	55.9	Low	50.7	Low	119 Å²	119	110.4 Å²	110.4	52%	0.522	61%	0.612	S	S	.	*	H	α-helix	trans	-71	-40.7	174.6	-163.3	-95.2	0	0	0	112.5	G10 W11 L16 F17	G10-F13 PolarHBondContact O-N 2.88Å; W11-F13 VanDerWaalsContact C-N 3.29Å; W11-F13 PolarHBondContact O-N 3.28Å; F13-L16 PolarHBondContact O-N 3.12Å; F13-F17 HydrophobicContact CD1-CD2 4.18Å; F13-F17 AromaticContact CE1-CD2 3.69Å; F13-F17 HydrophobicContact CE1-CD2 3.69Å; F13-F17 AromaticContact CE1-CE2 3.66Å; F13-F17 HydrophobicContact CE1-CE2 3.66Å; F13-F17 HydrophobicContact CZ-CD2 4.01Å; F13-F17 AromaticContact CZ-CE2 3.65Å; F13-F17 HydrophobicContact CZ-CE2 3.65Å; F13-F17 PolarHBondContact O-N 3.22Å; F13-F17 VanDerWaalsContact O-N 3.1Å
14	V	55.3	Low	50.2	Low	85 Å²	85	108.4 Å²	108.4	52%	0.515	61%	0.606	S	S	.	*	H	α-helix	trans	-65.4	-40.7	175.7	176.8	0	0	0	0	111.4	G10 W11 S18	G10-V14 WeakPolarHBondContact O-CG2 3.39Å; G10-V14 PolarHBondContact O-N 2.96Å; W11-V14 PolarHBondContact O-N 3.11Å; V14-S18 PolarHBondContact O-N 3.42Å; V14-S18 VanDerWaalsContact O-N 3.12Å; V14-S18 PolarHBondContact O-OG 3.33Å
15	C	54.5	Low	49.9	Very low	80 Å²	80	107.2 Å²	107.2	54%	0.541	60%	0.602	S	S	.	*	H	α-helix	trans	-64.6	-42.5	175	-70.3	0	0	0	0	112.2	W11 F17 S18 S19	W11-C15 PolarHBondContact O-N 2.88Å; W11-C15 PolarHBondContact O-SG 2.93Å; W11-C15 VanDerWaalsContact O-SG 3.35Å; C15-F17 PolarHBondContact O-N 3.11Å; C15-S18 WeakPolarHBondContact O-CB 3.47Å; C15-S18 PolarHBondContact O-N 3.2Å; C15-S19 PolarHBondContact O-N 3.13Å; C15-S19 PolarHBondContact O-OG 3.14Å
16	L	53.3	Low	49.5	Very low	95 Å²	95	107.3 Å²	107.3	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-63.7	-39.2	178.4	-83.1	164.1	0	0	0	112.7	L12 F13 S19 I20	L12-L16 HydrophobicContact CD2-CD1 3.92Å; L12-L16 WeakPolarHBondContact O-CB 2.95Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.09Å; L12-L16 VanDerWaalsContact O-N 3.1Å; F13-L16 PolarHBondContact O-N 3.12Å; L16-S19 WeakPolarHBondContact CA-OG 3.43Å; L16-S19 PolarHBondContact O-N 2.79Å; L16-S19 PolarHBondContact O-OG 3.43Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 3.12Å
17	F	55.8	Low	48.5	Very low	90 Å²	90	108.3 Å²	108.3	40%	0.395	61%	0.605	S	S	.	*	H	α-helix	trans	-68.2	-35.7	175.6	-109.9	-93	0	0	0	112.9	F13 C15 S19 I20 L21 I227	F13-F17 HydrophobicContact CD1-CD2 4.18Å; F13-F17 AromaticContact CE1-CD2 3.69Å; F13-F17 HydrophobicContact CE1-CD2 3.69Å; F13-F17 AromaticContact CE1-CE2 3.66Å; F13-F17 HydrophobicContact CE1-CE2 3.66Å; F13-F17 HydrophobicContact CZ-CD2 4.01Å; F13-F17 AromaticContact CZ-CE2 3.65Å; F13-F17 HydrophobicContact CZ-CE2 3.65Å; F13-F17 PolarHBondContact O-N 3.22Å; F13-F17 VanDerWaalsContact O-N 3.1Å; C15-F17 PolarHBondContact O-N 3.11Å; F17-S19 VanDerWaalsContact C-N 3.31Å; F17-S19 PolarHBondContact O-N 3.36Å; F17-I20 PolarHBondContact O-N 3.26Å; F17-L21 PolarHBondContact O-N 3.24Å; F17-I227 HydrophobicContact CE1-CG2 4.37Å; F17-I227 HydrophobicContact CZ-CG2 4.37Å
18	S	53.2	Low	47.3	Very low	60 Å²	60	106.8 Å²	106.8	42%	0.42	59%	0.592	S	S	.	*	H	α-helix	trans	-62.5	-38.9	176	-52.9	0	0	0	0	111.7	V14 C15 L21 I22	V14-S18 PolarHBondContact O-N 3.42Å; V14-S18 VanDerWaalsContact O-N 3.12Å; V14-S18 PolarHBondContact O-OG 3.33Å; C15-S18 WeakPolarHBondContact O-CB 3.47Å; C15-S18 PolarHBondContact O-N 3.2Å; S18-L21 PolarHBondContact O-N 3.38Å; S18-I22 WeakPolarHBondContact O-CG1 3.49Å
19	S	45.9	Very low	45.9	Very low	68 Å²	68	108.4 Å²	108.4	48%	0.476	60%	0.604	S	S	.	*	H	α-helix	trans	-70.5	-28.9	177	32.4	0	0	0	0	114.2	C15 L16 F17 I22	C15-S19 PolarHBondContact O-N 3.13Å; C15-S19 PolarHBondContact O-OG 3.14Å; L16-S19 WeakPolarHBondContact CA-OG 3.43Å; L16-S19 PolarHBondContact O-N 2.79Å; L16-S19 PolarHBondContact O-OG 3.43Å; F17-S19 VanDerWaalsContact C-N 3.31Å; F17-S19 PolarHBondContact O-N 3.36Å; S19-I22 PolarHBondContact O-N 2.7Å
20	I	45.6	Very low	44.3	Very low	106 Å²	106	113.6 Å²	113.6	54%	0.544	61%	0.611	S	S	.	*	H	α-helix	trans	-75.4	-29.9	176.9	-66.9	166	0	0	0	111.3	L16 F17 I22 S23	L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 3.12Å; F17-I20 PolarHBondContact O-N 3.26Å; I20-I22 PolarHBondContact O-N 2.73Å; I20-S23 PolarHBondContact O-N 3.5Å; I20-S23 PolarHBondContact O-OG 3.45Å
21	L	45.6	Very low	42.8	Very low	112 Å²	112	119 Å²	119	59%	0.586	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-13.5	175.4	-81.5	160.4	0	0	0	113.9	F17 S18 I224	F17-L21 PolarHBondContact O-N 3.24Å; S18-L21 PolarHBondContact O-N 3.38Å; L21-I224 HydrophobicContact CD2-CD1 4.44Å
22	I	39.1	Very low	41.1	Very low	145 Å²	145	120.7 Å²	120.7	74%	0.744	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-5.8	-178.7	-60.5	168	0	0	0	112	S18 S19 I20	S18-I22 WeakPolarHBondContact O-CG1 3.49Å; S19-I22 PolarHBondContact O-N 2.7Å; I20-I22 PolarHBondContact O-N 2.73Å
23	S	33.2	Very low	39.7	Very low	83 Å²	83	122 Å²	122	58%	0.58	64%	0.639	S	S	*	*			trans	-103.4	29.7	-177.9	68.7	0	0	0	0	114.6	I20 P25	I20-S23 PolarHBondContact O-N 3.5Å; I20-S23 PolarHBondContact O-OG 3.45Å; S23-P25 WeakPolarHBondContact O-CD 3.46Å
24	V	34.9	Very low	38.1	Very low	120 Å²	120	123.9 Å²	123.9	73%	0.727	65%	0.654	S	S	*	*			trans	-76.3	106.5	165.8	-178.9	0	0	0	0	107.6	S26	V24-S26 PolarHBondContact O-N 3.19Å
25	P	36.5	Very low	36.8	Very low	109 Å²	109	126.7 Å²	126.7	71%	0.708	66%	0.664	S	S	*	*			trans	-74.2	115.9	179.9	8.1	8.8	0	0	0	107.6	S23 E27	S23-P25 WeakPolarHBondContact O-CD 3.46Å; P25-E27 PolarHBondContact O-N 2.86Å
26	S	37.8	Very low	35.5	Very low	90 Å²	90	127.6 Å²	127.6	63%	0.629	67%	0.671	S	S	*	*			trans	-60.7	107.6	166.6	65.9	0	0	0	0	108.4	V24 Y28	V24-S26 PolarHBondContact O-N 3.19Å; S26-Y28 PolarHBondContact O-N 2.88Å
27	E	29.2	Very low	34.2	Very low	197 Å²	197	130.7 Å²	130.7	92%	0.921	69%	0.688	S	S	*	*			trans	-64.7	84.3	166.7	-71.7	-171.7	159	0	0	109.3	P25	P25-E27 PolarHBondContact O-N 2.86Å
28	Y	29.7	Very low	32.9	Very low	148 Å²	148	135 Å²	135	58%	0.58	71%	0.706	S	S	*	*			trans	-114.5	114.5	160.2	-84.8	-82.3	0	0	0	107.2	S26 R30	S26-Y28 PolarHBondContact O-N 2.88Å; Y28-R30 PolarHBondContact O-N 3.44Å
29	S	28.1	Very low	31.8	Very low	129 Å²	129	139 Å²	139	90%	0.902	72%	0.717	S	S	*	*			trans	-62.5	79.5	170.2	41.1	0	0	0	0	110.6
30	R	24.9	Very low	31	Very low	193 Å²	193	145.6 Å²	145.6	73%	0.728	74%	0.737	S	S	*	*			trans	-87.9	104.7	175.5	-79.7	-179.5	168.2	167.8	-2.8	110.1	Y28 R32	Y28-R30 PolarHBondContact O-N 3.44Å; R30-R32 PolarHBondContact O-N 3.37Å
31	I	25.3	Very low	30.4	Very low	156 Å²	156	146 Å²	146	80%	0.8	74%	0.735	S	S	*	*			trans	-74.1	106.9	162.6	-63.8	172.2	0	0	0	107.5	I33	I31-I33 HydrophobicContact CG2-CG1 4.11Å; I31-I33 PolarHBondContact O-N 2.97Å
32	R	24.8	Very low	29.8	Very low	232 Å²	232	143.1 Å²	143.1	88%	0.875	72%	0.723	S	S	*	*			trans	-78.6	109.8	168.5	-94.5	-179	-165.9	167.4	6.8	108.8	R30	R30-R32 PolarHBondContact O-N 3.37Å
33	I	24.4	Very low	29.6	Very low	144 Å²	144	141.1 Å²	141.1	74%	0.738	71%	0.713	S	S	*	*			trans	-93	108.3	160.7	-57.8	178.2	0	0	0	106.3	I31 M35	I31-I33 HydrophobicContact CG2-CG1 4.11Å; I31-I33 PolarHBondContact O-N 2.97Å; I33-M35 PolarHBondContact O-N 2.93Å
34	L	23.5	Very low	29.7	Very low	160 Å²	160	139.3 Å²	139.3	84%	0.838	70%	0.695	S	S	*	*			trans	-65.6	111.6	171.9	-97.1	121.4	0	0	0	109.3
35	M	27.6	Very low	29.4	Very low	144 Å²	144	135.8 Å²	135.8	71%	0.709	68%	0.676	S	S	*	*			trans	-138.4	120.4	159.3	-78.2	-151.1	126.6	0	0	109.2	I33	I33-M35 PolarHBondContact O-N 2.93Å
36	S	27.5	Very low	29.1	Very low	98 Å²	98	136.1 Å²	136.1	69%	0.685	66%	0.664	S	S	*	*			trans	17.1	127	177.1	72.9	0	0	0	0	118.8	F38	S36-F38 PolarHBondContact O-N 3.2Å
37	D	25.4	Very low	28.9	Very low	160 Å²	160	139.8 Å²	139.8	86%	0.856	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	8.9	-168.7	-64.2	-53.8	0	0	0	120.3
38	F	28	Very low	29.1	Very low	180 Å²	180	139.4 Å²	139.4	79%	0.789	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-12.1	-175.8	-76.6	-84.8	0	0	0	115.6	S36	S36-F38 PolarHBondContact O-N 3.2Å
39	F	30.8	Very low	29.1	Very low	145 Å²	145	139.1 Å²	139.1	64%	0.636	66%	0.662	S	S	*	*			trans	-146.2	101.2	179.6	-66.6	-84.8	0	0	0	113	F41	F39-F41 HydrophobicContact CB-CD2 3.99Å; F39-F41 HydrophobicContact CB-CE2 3.42Å; F39-F41 VanDerWaalsContact CB-CE2 3.42Å; F39-F41 HydrophobicContact CB-CZ 3.97Å; F39-F41 HydrophobicContact CD1-CE2 4.47Å; F39-F41 HydrophobicContact CD1-CZ 4.18Å; F39-F41 HydrophobicContact CG-CE2 4.14Å; F39-F41 HydrophobicContact CG-CZ 4.29Å; F39-F41 PolarHBondContact O-N 2.98Å
40	K	29.8	Very low	29.2	Very low	207 Å²	207	141.9 Å²	141.9	90%	0.9	65%	0.654	S	S	*	*			trans	-84.7	97.8	170.9	-70	175.7	178.1	169.7	0	109.3	P42	K40-P42 VanDerWaalsContact O-CD 3.24Å; K40-P42 WeakPolarHBondContact O-CD 3.29Å
41	F	33.3	Very low	29.3	Very low	114 Å²	114	134.7 Å²	134.7	50%	0.5	63%	0.632	S	S	.	*			trans	-92.7	105.4	170.3	-62.4	-80.9	0	0	0	109.9	F39 L43	F39-F41 HydrophobicContact CB-CD2 3.99Å; F39-F41 HydrophobicContact CB-CE2 3.42Å; F39-F41 VanDerWaalsContact CB-CE2 3.42Å; F39-F41 HydrophobicContact CB-CZ 3.97Å; F39-F41 HydrophobicContact CD1-CE2 4.47Å; F39-F41 HydrophobicContact CD1-CZ 4.18Å; F39-F41 HydrophobicContact CG-CE2 4.14Å; F39-F41 HydrophobicContact CG-CZ 4.29Å; F39-F41 PolarHBondContact O-N 2.98Å; F41-L43 PolarHBondContact O-N 3.01Å
42	P	32.9	Very low	29.5	Very low	52 Å²	52	129.8 Å²	129.8	34%	0.338	61%	0.611	S	S	.	*			trans	-74.5	124.4	168.5	29	-30.6	0	0	0	109.6	K40	K40-P42 VanDerWaalsContact O-CD 3.24Å; K40-P42 WeakPolarHBondContact O-CD 3.29Å
43	L	33.2	Very low	29.6	Very low	103 Å²	103	120.9 Å²	120.9	54%	0.539	58%	0.581	S	S	.	*			trans	-109.2	122.4	177.5	-152.1	135.7	0	0	0	108.7	F41	F41-L43 PolarHBondContact O-N 3.01Å
44	H	35.2	Very low	30	Very low	44 Å²	44	116.2 Å²	116.2	20%	0.204	56%	0.557	C	S	.	*			trans	-116.7	105	-175.8	-72	-77.6	0	0	0	110.9	Y46	H44-Y46 HydrophobicContact CB-CD2 4.35Å; H44-Y46 HydrophobicContact CB-CE2 3.7Å
45	C	29.8	Very low	30.2	Very low	47 Å²	47	111.1 Å²	111.1	32%	0.318	53%	0.528	S	S	.	.			trans	-89.4	120.2	170.6	-67	0	0	0	0	109.8	F47	C45-F47 HydrophobicContact CB-CE2 3.97Å; C45-F47 HydrophobicContact CB-CZ 4.16Å
46	Y	30.4	Very low	30.3	Very low	115 Å²	115	106 Å²	106	45%	0.451	51%	0.509	S	S	.	.			trans	-101.2	122.7	173.1	-68.1	-89.6	0	0	0	109.7	H44 V51 L53	H44-Y46 HydrophobicContact CB-CD2 4.35Å; H44-Y46 HydrophobicContact CB-CE2 3.7Å; Y46-V51 VanDerWaalsContact O-O 3.12Å; Y46-L53 HydrophobicContact CD2-CB 3.75Å; Y46-L53 HydrophobicContact CD2-CD2 3.96Å; Y46-L53 HydrophobicContact CD2-CG 4.47Å; Y46-L53 HydrophobicContact CE2-CB 4.27Å; Y46-L53 HydrophobicContact CE2-CD2 3.63Å
47	F	32.7	Very low	30.3	Very low	167 Å²	167	107 Å²	107	73%	0.732	50%	0.503	S	S	*	.			trans	-94.7	-1	-171.5	-70.2	-86.5	0	0	0	114.7	C45	C45-F47 HydrophobicContact CB-CE2 3.97Å; C45-F47 HydrophobicContact CB-CZ 4.16Å
48	R	33.9	Very low	30.5	Very low	190 Å²	190	102.3 Å²	102.3	72%	0.717	48%	0.482	S	S	*	.	S	Bend	trans	-87.9	-14.9	-168.2	-103.1	-176.2	170.8	172.5	-1.9	116
49	H	29.5	Very low	30.7	Very low	141 Å²	141	100 Å²	100	65%	0.653	49%	0.489	S	S	*	.	S	Bend	trans	-135.5	153	170	-59.8	-69.8	0	0	0	104.7	V51	H49-V51 HydrophobicContact CB-CB 4.08Å; H49-V51 HydrophobicContact CB-CG2 3.53Å; H49-V51 PolarHBondContact O-N 3.35Å
50	Y	30.1	Very low	30.5	Very low	187 Å²	187	100.7 Å²	100.7	73%	0.733	50%	0.496	S	S	*	.	S	Bend	trans	-63.6	56.3	174.1	-64.8	-93.1	0	0	0	111.5	G69	Y50-G69 WeakPolarHBondContact O-CA 3.27Å; Y50-G69 PolarHBondContact O-N 3.47Å; Y50-G69 VanDerWaalsContact O-N 3.12Å
51	V	27.8	Very low	30.4	Very low	43 Å²	43	98.2 Å²	98.2	26%	0.261	49%	0.485	S	S	.	.			trans	-136.9	102.4	-162.7	178.1	0	0	0	0	105.8	Y46 H49 L53	Y46-V51 VanDerWaalsContact O-O 3.12Å; H49-V51 HydrophobicContact CB-CB 4.08Å; H49-V51 HydrophobicContact CB-CG2 3.53Å; H49-V51 PolarHBondContact O-N 3.35Å; V51-L53 PolarHBondContact O-N 3.39Å
52	C	28.4	Very low	30.1	Very low	53 Å²	53	97.7 Å²	97.7	36%	0.358	49%	0.491	S	S	.	.			trans	-79.8	102.2	166.4	-159.4	0	0	0	0	107
53	L	28.6	Very low	29.9	Very low	45 Å²	45	98.6 Å²	98.6	24%	0.236	50%	0.499	C	S	.	.			trans	-80.1	127	170.9	-159.1	93.9	0	0	0	108	Y46 V51	Y46-L53 HydrophobicContact CD2-CB 3.75Å; Y46-L53 HydrophobicContact CD2-CD2 3.96Å; Y46-L53 HydrophobicContact CD2-CG 4.47Å; Y46-L53 HydrophobicContact CE2-CB 4.27Å; Y46-L53 HydrophobicContact CE2-CD2 3.63Å; V51-L53 PolarHBondContact O-N 3.39Å
54	I	31.5	Very low	29.6	Very low	46 Å²	46	101.3 Å²	101.3	24%	0.236	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	101.1	171.8	-58.7	173.5	0	0	0	106.5	C123	I54-C123 HydrophobicContact CD1-CB 4.49Å; I54-C123 WeakPolarHBondContact CD1-SG 3.3Å
55	E	28.3	Very low	29.3	Very low	52 Å²	52	102.8 Å²	102.8	24%	0.243	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	108.7	174.3	-168	168	-160.9	0	0	108.8
56	A	29.4	Very low	29.2	Very low	36 Å²	36	107.7 Å²	107.7	30%	0.298	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	99	171.7	0	0	0	0	0	108.5	S58	A56-S58 PolarHBondContact O-N 2.93Å
57	Q	28.3	Very low	29.1	Very low	121 Å²	121	106.4 Å²	106.4	57%	0.565	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	104.8	163.9	-77.4	-174.1	-8.6	0	0	108.4
58	S	29	Very low	29	Very low	60 Å²	60	106.3 Å²	106.3	42%	0.42	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	147.3	156.7	77.6	0	0	0	0	108.2	A56 M60 F61	A56-S58 PolarHBondContact O-N 2.93Å; S58-M60 PolarHBondContact O-N 2.84Å; S58-F61 PolarHBondContact N-O 3.26Å; S58-F61 PolarHBondContact O-N 2.92Å; S58-F61 PolarHBondContact OG-N 3.26Å; S58-F61 PolarHBondContact OG-O 3.01Å
59	S	31.8	Very low	28.7	Very low	133 Å²	133	98.7 Å²	98.7	93%	0.93	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-0.3	-178.6	51.8	0	0	0	0	115.1
60	M	26.1	Very low	28.6	Very low	158 Å²	158	97.3 Å²	97.3	78%	0.778	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.7	-9.8	175.2	-78	-173.5	148.2	0	0	114.5	S58	S58-M60 PolarHBondContact O-N 2.84Å
61	F	29.3	Very low	28.4	Very low	155 Å²	155	94 Å²	94	68%	0.68	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.8	119.4	-179.8	-66.1	-82.4	0	0	0	111	S58 S63	S58-F61 PolarHBondContact N-O 3.26Å; S58-F61 PolarHBondContact O-N 2.92Å; S58-F61 PolarHBondContact OG-N 3.26Å; S58-F61 PolarHBondContact OG-O 3.01Å; F61-S63 PolarHBondContact O-N 3.38Å
62	T	26.1	Very low	28.3	Very low	103 Å²	103	96.5 Å²	96.5	63%	0.632	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	96.3	163	44.2	0	0	0	0	108.9	R64	T62-R64 PolarHBondContact O-N 3.5Å
63	S	28.4	Very low	28.2	Very low	72 Å²	72	98.8 Å²	98.8	50%	0.503	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.5	104	166	33.8	0	0	0	0	108.4	F61	F61-S63 PolarHBondContact O-N 3.38Å
64	R	27.8	Very low	28	Very low	159 Å²	159	101.5 Å²	101.5	60%	0.6	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.9	116.8	169.5	-66.3	-178	175.1	167.3	-1.3	108.4	T62 F66	T62-R64 PolarHBondContact O-N 3.5Å; R64-F66 HydrophobicContact CB-CD2 4.22Å; R64-F66 HydrophobicContact CB-CE2 3.59Å; R64-F66 HydrophobicContact CB-CZ 4.02Å; R64-F66 HydrophobicContact CG-CE2 4.45Å; R64-F66 HydrophobicContact CG-CZ 4.49Å
65	C	28	Very low	27.7	Very low	76 Å²	76	107.1 Å²	107.1	51%	0.514	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.8	117.7	165.7	-79.9	0	0	0	0	108.9
66	F	27.9	Very low	27.5	Very low	150 Å²	150	110.9 Å²	110.9	66%	0.658	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-102.3	118.5	173.4	-61.9	-86.8	0	0	0	108.5	R64	R64-F66 HydrophobicContact CB-CD2 4.22Å; R64-F66 HydrophobicContact CB-CE2 3.59Å; R64-F66 HydrophobicContact CB-CZ 4.02Å; R64-F66 HydrophobicContact CG-CE2 4.45Å; R64-F66 HydrophobicContact CG-CZ 4.49Å
67	I	28.8	Very low	27.2	Very low	88 Å²	88	115.3 Å²	115.3	45%	0.451	63%	0.629	S	S	.	*			trans	-138.6	118	168.4	-52	176.5	0	0	0	110	F121	I67-F121 HydrophobicContact CB-CE1 3.9Å; I67-F121 HydrophobicContact CB-CZ 4.37Å; I67-F121 HydrophobicContact CD1-CD1 3.92Å; I67-F121 HydrophobicContact CD1-CE1 3.53Å; I67-F121 HydrophobicContact CG1-CE1 4.27Å; I67-F121 HydrophobicContact CG2-CE1 3.68Å; I67-F121 HydrophobicContact CG2-CZ 3.88Å
68	Q	29.3	Very low	27	Very low	164 Å²	164	118.1 Å²	118.1	77%	0.766	64%	0.635	S	S	*	*			trans	-75.7	115.5	172.8	-176.6	176.6	4.6	0	0	108.8	T70	Q68-T70 PolarHBondContact O-N 3.37Å
69	G	29.4	Very low	26.9	Very low	30 Å²	30	123.8 Å²	123.8	31%	0.309	65%	0.652	S	S	.	*			trans	-74.1	114.8	172.8	0	0	0	0	0	110.6	Y50	Y50-G69 WeakPolarHBondContact O-CA 3.27Å; Y50-G69 PolarHBondContact O-N 3.47Å; Y50-G69 VanDerWaalsContact O-N 3.12Å
70	T	27.5	Very low	26.8	Very low	112 Å²	112	124 Å²	124	69%	0.687	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-87.7	151.8	163.9	46.7	0	0	0	0	110.2	Q68 C72	Q68-T70 PolarHBondContact O-N 3.37Å; T70-C72 PolarHBondContact O-N 3.33Å
71	S	25.1	Very low	27.1	Very low	118 Å²	118	121 Å²	121	83%	0.825	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-48.5	124.9	-177.7	32.7	0	0	0	0	113.6	P73	S71-P73 WeakPolarHBondContact O-CD 3.4Å
72	C	25.7	Very low	27.3	Very low	95 Å²	95	122.2 Å²	122.2	64%	0.642	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-87.1	119.7	171.7	-151.1	0	0	0	0	109.1	T70 L74	T70-C72 PolarHBondContact O-N 3.33Å; C72-L74 PolarHBondContact O-N 3.5Å
73	P	26	Very low	27.6	Very low	101 Å²	101	122.8 Å²	122.8	66%	0.656	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-61.9	127.2	169.7	23.5	-29.7	0	0	0	109.2	S71 I75	S71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-I75 PolarHBondContact O-N 3.09Å
74	L	24.4	Very low	27.7	Very low	102 Å²	102	127 Å²	127	53%	0.534	66%	0.656	S	S	.	*			trans	-63.9	101.7	168.7	-91.7	127.1	0	0	0	108.2	C72 Y76	C72-L74 PolarHBondContact O-N 3.5Å; L74-Y76 VanDerWaalsContact C-N 3.25Å; L74-Y76 HydrophobicContact CB-CD2 4.37Å; L74-Y76 HydrophobicContact CD2-CD2 3.38Å; L74-Y76 HydrophobicContact CD2-CE2 3.29Å; L74-Y76 HydrophobicContact CG-CD2 4.5Å; L74-Y76 PolarHBondContact O-N 2.95Å; L74-Y76 VanDerWaalsContact O-N 3.13Å
75	I	26.2	Very low	28.3	Very low	165 Å²	165	125.5 Å²	125.5	85%	0.846	66%	0.659	S	S	*	*			trans	-83.7	83.4	164.8	-56.2	175.5	0	0	0	106.2	P73	P73-I75 PolarHBondContact O-N 3.09Å
76	Y	23.1	Very low	28.6	Very low	130 Å²	130	124.9 Å²	124.9	51%	0.51	65%	0.651	S	S	.	*			trans	-84.2	140.5	158.3	-98	-89.4	0	0	0	108.7	L74 Y184	L74-Y76 VanDerWaalsContact C-N 3.25Å; L74-Y76 HydrophobicContact CB-CD2 4.37Å; L74-Y76 HydrophobicContact CD2-CD2 3.38Å; L74-Y76 HydrophobicContact CD2-CE2 3.29Å; L74-Y76 HydrophobicContact CG-CD2 4.5Å; L74-Y76 PolarHBondContact O-N 2.95Å; L74-Y76 VanDerWaalsContact O-N 3.13Å; Y76-Y184 PolarHBondContact OH-OH 2.96Å
77	D	23.7	Very low	28.8	Very low	130 Å²	130	122.9 Å²	122.9	70%	0.695	65%	0.646	S	S	*	*			trans	77.9	128.8	151.1	-99.9	-0.9	0	0	0	121.7
78	Y	24.2	Very low	29.1	Very low	180 Å²	180	122.8 Å²	122.8	71%	0.706	64%	0.643	S	S	*	*			trans	78.6	120.5	138.6	-92.7	-122.6	0	0	0	120.1
79	K	25.8	Very low	29.5	Very low	178 Å²	178	119.7 Å²	119.7	77%	0.774	63%	0.625	S	S	*	*			trans	56	61.7	145	-63.4	-176.3	-178.3	-179.1	0	116.1
80	D	29.7	Very low	29.8	Very low	139 Å²	139	121.3 Å²	121.3	74%	0.743	63%	0.626	S	S	*	*			trans	-155.1	126.6	145.6	-96.6	-32.9	0	0	0	111.8	K82	D80-K82 PolarHBondContact O-N 3.17Å
81	S	32.8	Very low	30.2	Very low	94 Å²	94	118.4 Å²	118.4	66%	0.657	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	15.9	-170.6	47	0	0	0	0	115.9
82	K	32.7	Very low	30.9	Very low	180 Å²	180	118.5 Å²	118.5	78%	0.783	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-8.1	-170.6	-70.2	-178	178.8	174.9	0	115.5	D80 R84	D80-K82 PolarHBondContact O-N 3.17Å; K82-R84 PolarHBondContact O-N 3.26Å
83	S	33	Very low	31.3	Very low	115 Å²	115	118.2 Å²	118.2	80%	0.804	59%	0.585	S	S	*	*			trans	-86.8	12.2	175.8	46.2	0	0	0	0	114.1	N85	S83-N85 PolarHBondContact O-N 3.46Å; S83-N85 VanDerWaalsContact O-N 3.09Å
84	R	30.2	Very low	31.8	Very low	161 Å²	161	116.8 Å²	116.8	61%	0.608	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-6.9	176.4	-92.1	-177	-179.7	177.2	0.9	115.8	K82 L86 E88	K82-R84 PolarHBondContact O-N 3.26Å; R84-L86 PolarHBondContact O-N 2.78Å; R84-E88 WeakPolarHBondContact CB-OE2 3.3Å; R84-E88 VanDerWaalsContact CD-OE1 3.27Å; R84-E88 WeakPolarHBondContact CD-OE1 3.45Å; R84-E88 WeakPolarHBondContact CG-OE1 3.24Å; R84-E88 IonicContact NE-OE1 3.45Å; R84-E88 VanDerWaalsContact O-CB 3.23Å; R84-E88 WeakPolarHBondContact O-CB 3.18Å; R84-E88 WeakPolarHBondContact O-CG 3.41Å; R84-E88 PolarHBondContact O-N 3.02Å
85	N	40.5	Very low	32.1	Very low	127 Å²	127	119.9 Å²	119.9	68%	0.679	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	4.9	-155.6	-94.3	-31.2	0	0	0	119.3	S83 Y89	S83-N85 PolarHBondContact O-N 3.46Å; S83-N85 VanDerWaalsContact O-N 3.09Å; N85-Y89 VanDerWaalsContact O-CB 3.26Å; N85-Y89 WeakPolarHBondContact O-CB 3.39Å
86	L	33.9	Very low	32.3	Very low	64 Å²	64	114.2 Å²	114.2	34%	0.335	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.8	-38.1	176.2	-160.7	81.4	0	0	0	113.1	R84 I90 I114 C118	R84-L86 PolarHBondContact O-N 2.78Å; L86-I90 HydrophobicContact CG-CD1 4.46Å; L86-I90 WeakPolarHBondContact O-CB 3.29Å; L86-I90 WeakPolarHBondContact O-CD1 3.46Å; L86-I90 WeakPolarHBondContact O-CG1 3.2Å; L86-I90 PolarHBondContact O-N 2.95Å; L86-I114 HydrophobicContact CD1-CG2 4.27Å; L86-C118 HydrophobicContact CD2-CB 4.46Å; L86-C118 VanDerWaalsContact CD2-SG 3.56Å
87	I	33.5	Very low	33	Very low	108 Å²	108	115.6 Å²	115.6	55%	0.554	58%	0.575	S	S	*	*	H	α-helix	trans	-78.4	-40.9	176.2	-62.9	174.4	0	0	0	110.3	Y89 I90 D91	I87-Y89 VanDerWaalsContact C-N 3.28Å; I87-Y89 PolarHBondContact O-N 3.49Å; I87-I90 PolarHBondContact O-N 3.37Å; I87-D91 WeakPolarHBondContact O-CB 3.38Å; I87-D91 PolarHBondContact O-N 3.42Å
88	E	35.5	Very low	33.5	Very low	85 Å²	85	116.9 Å²	116.9	40%	0.397	58%	0.582	S	S	.	*	H	α-helix	trans	-66.7	-30.5	168.8	-71.5	175.5	176.7	0	0	111.5	R84 D91 H92	R84-E88 WeakPolarHBondContact CB-OE2 3.3Å; R84-E88 VanDerWaalsContact CD-OE1 3.27Å; R84-E88 WeakPolarHBondContact CD-OE1 3.45Å; R84-E88 WeakPolarHBondContact CG-OE1 3.24Å; R84-E88 IonicContact NE-OE1 3.45Å; R84-E88 VanDerWaalsContact O-CB 3.23Å; R84-E88 WeakPolarHBondContact O-CB 3.18Å; R84-E88 WeakPolarHBondContact O-CG 3.41Å; R84-E88 PolarHBondContact O-N 3.02Å; E88-D91 PolarHBondContact O-N 3.35Å; E88-H92 WeakPolarHBondContact O-CB 3.47Å; E88-H92 PolarHBondContact O-CD2 3.45Å; E88-H92 VanDerWaalsContact O-CD2 3.26Å; E88-H92 PolarHBondContact O-N 3.5Å
89	Y	36.2	Very low	34	Very low	99 Å²	99	110.8 Å²	110.8	39%	0.388	57%	0.565	S	S	.	*	H	α-helix	trans	-67.4	-41.2	175.1	-172.4	-101.8	0	0	0	111.8	N85 I87 H92 I93	N85-Y89 VanDerWaalsContact O-CB 3.26Å; N85-Y89 WeakPolarHBondContact O-CB 3.39Å; I87-Y89 VanDerWaalsContact C-N 3.28Å; I87-Y89 PolarHBondContact O-N 3.49Å; Y89-H92 PolarHBondContact O-N 2.79Å; Y89-I93 HydrophobicContact CD1-CD1 3.84Å; Y89-I93 HydrophobicContact CE1-CD1 3.66Å; Y89-I93 WeakPolarHBondContact O-CD1 3.39Å; Y89-I93 VanDerWaalsContact O-CG1 3.24Å; Y89-I93 WeakPolarHBondContact O-CG1 3.23Å; Y89-I93 PolarHBondContact O-N 3.5Å; Y89-I93 VanDerWaalsContact O-N 3.12Å
90	I	36	Very low	34.3	Very low	64 Å²	64	109.2 Å²	109.2	33%	0.328	57%	0.573	S	S	.	*	H	α-helix	trans	-71.3	-36.7	174.5	-68.1	166.2	0	0	0	111.5	L86 I87 Q94 Y161	L86-I90 HydrophobicContact CG-CD1 4.46Å; L86-I90 WeakPolarHBondContact O-CB 3.29Å; L86-I90 WeakPolarHBondContact O-CD1 3.46Å; L86-I90 WeakPolarHBondContact O-CG1 3.2Å; L86-I90 PolarHBondContact O-N 2.95Å; I87-I90 PolarHBondContact O-N 3.37Å; I90-Q94 PolarHBondContact O-N 3.4Å; I90-Y161 HydrophobicContact CG2-CE1 3.95Å
91	D	37.1	Very low	34.5	Very low	51 Å²	51	106.6 Å²	106.6	27%	0.273	57%	0.566	S	S	.	*	H	α-helix	trans	-72.7	-30.5	174.4	-79.3	-28.7	0	0	0	111.6	I87 E88 Q94 M95 K159	I87-D91 WeakPolarHBondContact O-CB 3.38Å; I87-D91 PolarHBondContact O-N 3.42Å; E88-D91 PolarHBondContact O-N 3.35Å; D91-Q94 CarbonylContact O-C 3.49Å; D91-Q94 PolarHBondContact O-N 2.86Å; D91-Q94 VanDerWaalsContact O-N 3.14Å; D91-M95 WeakPolarHBondContact O-CB 3.44Å; D91-M95 WeakPolarHBondContact O-CG 3.27Å; D91-M95 PolarHBondContact O-N 2.99Å; D91-M95 VanDerWaalsContact O-N 3.11Å; D91-K159 IonicContact OD1-NZ 2.92Å; D91-K159 PolarHBondContact OD1-NZ 3.12Å
92	H	38.5	Very low	34.4	Very low	120 Å²	120	110.2 Å²	110.2	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-68.4	-35	172	-99.2	-75.3	0	0	0	112.8	E88 Y89 Q94	E88-H92 WeakPolarHBondContact O-CB 3.47Å; E88-H92 PolarHBondContact O-CD2 3.45Å; E88-H92 VanDerWaalsContact O-CD2 3.26Å; E88-H92 PolarHBondContact O-N 3.5Å; Y89-H92 PolarHBondContact O-N 2.79Å; H92-Q94 PolarHBondContact O-N 3.24Å
93	I	35.2	Very low	34.3	Very low	89 Å²	89	108.7 Å²	108.7	46%	0.456	56%	0.56	S	S	.	*	H	α-helix	trans	-66.3	-22.7	172.7	-68.7	163.6	0	0	0	110.9	Y89	Y89-I93 HydrophobicContact CD1-CD1 3.84Å; Y89-I93 HydrophobicContact CE1-CD1 3.66Å; Y89-I93 WeakPolarHBondContact O-CD1 3.39Å; Y89-I93 VanDerWaalsContact O-CG1 3.24Å; Y89-I93 WeakPolarHBondContact O-CG1 3.23Å; Y89-I93 PolarHBondContact O-N 3.5Å; Y89-I93 VanDerWaalsContact O-N 3.12Å
94	Q	35.7	Very low	34.3	Very low	71 Å²	71	110.6 Å²	110.6	33%	0.332	56%	0.556	S	S	.	*	H	α-helix	trans	-100.9	-8.4	-175.7	-115.6	-174.9	-17.7	0	0	115.2	I90 D91 H92 Y161	I90-Q94 PolarHBondContact O-N 3.4Å; D91-Q94 CarbonylContact O-C 3.49Å; D91-Q94 PolarHBondContact O-N 2.86Å; D91-Q94 VanDerWaalsContact O-N 3.14Å; H92-Q94 PolarHBondContact O-N 3.24Å; Q94-Y161 VanDerWaalsContact CD-CD1 3.48Å; Q94-Y161 HydrophobicContact CG-CD1 4.45Å; Q94-Y161 HydrophobicContact CG-CE1 4.5Å
95	M	31.5	Very low	34.5	Very low	167 Å²	167	107.3 Å²	107.3	82%	0.823	55%	0.55	S	S	*	.	S	Bend	trans	-105.4	24.1	-174.3	-77.7	-167.4	127.7	0	0	115.3	D91	D91-M95 WeakPolarHBondContact O-CB 3.44Å; D91-M95 WeakPolarHBondContact O-CG 3.27Å; D91-M95 PolarHBondContact O-N 2.99Å; D91-M95 VanDerWaalsContact O-N 3.11Å
96	S	30.1	Very low	34.4	Very low	47 Å²	47	110.2 Å²	110.2	33%	0.329	56%	0.556	S	S	.	*			trans	-119.9	68.9	164.6	57.5	0	0	0	0	111	D98	S96-D98 PolarHBondContact O-N 3.42Å; S96-D98 VanDerWaalsContact O-N 3.17Å
97	N	37.9	Very low	34.7	Very low	159 Å²	159	111.3 Å²	111.3	85%	0.85	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-8.6	164.1	-85.1	-16	0	0	0	112.5
98	D	33.9	Very low	34.6	Very low	157 Å²	157	112 Å²	112	84%	0.84	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	5.9	-173.2	-62.8	-38	0	0	0	114.9	S96	S96-D98 PolarHBondContact O-N 3.42Å; S96-D98 VanDerWaalsContact O-N 3.17Å
99	S	34.6	Very low	34.7	Very low	52 Å²	52	117.7 Å²	117.7	36%	0.364	58%	0.581	S	S	.	*			trans	-168.9	108.2	168.9	35.6	0	0	0	0	113.6	S101	S99-S101 PolarHBondContact O-N 3.31Å
100	P	32.4	Very low	34.8	Very low	145 Å²	145	115.8 Å²	115.8	94%	0.942	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	18.9	-177.5	28.8	-34.4	0	0	0	115.2
101	S	32.9	Very low	34.9	Very low	83 Å²	83	114.5 Å²	114.5	58%	0.58	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	4.6	-158.6	55.2	0	0	0	0	116.5	S99	S99-S101 PolarHBondContact O-N 3.31Å
102	K	30.4	Very low	34.7	Very low	171 Å²	171	115.4 Å²	115.4	74%	0.743	59%	0.585	S	S	*	*	S	Bend	trans	-116.1	-4.1	-168.8	-115.6	177.6	-179.5	177.5	0	118.8
103	Y	30.4	Very low	34.8	Very low	147 Å²	147	112.7 Å²	112.7	58%	0.576	58%	0.58	S	S	*	*			trans	-130.3	76.4	174.5	-64.3	-78.9	0	0	0	111.4	L105	Y103-L105 PolarHBondContact O-N 3.15Å; Y103-L105 VanDerWaalsContact O-N 3.13Å
104	H	33.1	Very low	34.8	Very low	155 Å²	155	111.4 Å²	111.4	72%	0.718	57%	0.573	S	S	*	*			trans	-65.9	108.1	158.5	-76.1	-76.4	0	0	0	107.8	K106	H104-K106 HydrophobicContact CB-CG 4.06Å; H104-K106 PolarHBondContact O-N 3.29Å
105	L	36.3	Very low	34.9	Very low	92 Å²	92	109.8 Å²	109.8	48%	0.482	57%	0.567	S	S	.	*			trans	-62	86.3	160.4	-74.9	164.8	0	0	0	106.9	Y103 D107 I111	Y103-L105 PolarHBondContact O-N 3.15Å; Y103-L105 VanDerWaalsContact O-N 3.13Å; L105-D107 PolarHBondContact O-N 3.29Å; L105-I111 HydrophobicContact CB-CD1 4.18Å; L105-I111 HydrophobicContact CD1-CD1 4.14Å; L105-I111 HydrophobicContact CD2-CD1 4.38Å; L105-I111 HydrophobicContact CD2-CG1 4.11Å; L105-I111 HydrophobicContact CG-CD1 4.48Å
106	K	37.7	Very low	35	Very low	188 Å²	188	110.6 Å²	110.6	82%	0.817	57%	0.566	S	S	*	*			trans	-69.6	-12.6	-166.5	-95.1	-175.2	174.2	-177.7	0	114.4	H104	H104-K106 HydrophobicContact CB-CG 4.06Å; H104-K106 PolarHBondContact O-N 3.29Å
107	D	39.7	Very low	35.1	Very low	87 Å²	87	116.7 Å²	116.7	47%	0.465	59%	0.586	S	S	.	*			trans	-156.6	133.4	-176.4	-124.5	-32.7	0	0	0	113.9	L105 R109 S110 I111	L105-D107 PolarHBondContact O-N 3.29Å; D107-R109 PolarHBondContact O-N 2.77Å; D107-S110 WeakPolarHBondContact O-CB 3.49Å; D107-S110 PolarHBondContact O-N 3.13Å; D107-I111 PolarHBondContact O-N 3.43Å
108	E	32.5	Very low	34.7	Very low	124 Å²	124	111.1 Å²	111.1	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-53.4	-33.9	170.6	-175.5	177.1	176.4	0	0	110.9	I111 C112	E108-I111 PolarHBondContact O-N 3.12Å; E108-C112 PolarHBondContact O-N 3.28Å
109	R	36	Very low	34.7	Very low	203 Å²	203	107 Å²	107	77%	0.766	54%	0.543	S	S	*	.	H	α-helix	trans	-65.2	-36.4	175.5	-68.3	-178.6	178.4	-175.1	0.6	113.3	D107 S113	D107-R109 PolarHBondContact O-N 2.77Å; R109-S113 VanDerWaalsContact O-CB 3.3Å; R109-S113 WeakPolarHBondContact O-CB 3.24Å; R109-S113 PolarHBondContact O-N 3.35Å
110	S	39.8	Very low	34.6	Very low	59 Å²	59	108.3 Å²	108.3	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-68.1	-42.4	178.5	-53.3	0	0	0	0	110.8	D107 S113 I114	D107-S110 WeakPolarHBondContact O-CB 3.49Å; D107-S110 PolarHBondContact O-N 3.13Å; S110-S113 PolarHBondContact O-N 3.05Å; S110-I114 WeakPolarHBondContact O-CD1 3.49Å; S110-I114 VanDerWaalsContact O-CG1 3.25Å; S110-I114 WeakPolarHBondContact O-CG1 3.26Å; S110-I114 PolarHBondContact O-N 3.3Å
111	I	36.2	Very low	34.6	Very low	37 Å²	37	106 Å²	106	19%	0.19	52%	0.521	C	S	.	.	H	α-helix	trans	-63.7	-48.9	176.4	-62	173.1	0	0	0	109.7	L105 D107 E108 S113 I114 L115	L105-I111 HydrophobicContact CB-CD1 4.18Å; L105-I111 HydrophobicContact CD1-CD1 4.14Å; L105-I111 HydrophobicContact CD2-CD1 4.38Å; L105-I111 HydrophobicContact CD2-CG1 4.11Å; L105-I111 HydrophobicContact CG-CD1 4.48Å; D107-I111 PolarHBondContact O-N 3.43Å; E108-I111 PolarHBondContact O-N 3.12Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.35Å; I111-I114 PolarHBondContact O-N 3.34Å; I111-L115 HydrophobicContact CG2-CD1 3.49Å; I111-L115 VanDerWaalsContact CG2-CD1 3.49Å; I111-L115 HydrophobicContact CG2-CG 4.25Å; I111-L115 VanDerWaalsContact O-CB 3.32Å; I111-L115 WeakPolarHBondContact O-CB 3.12Å; I111-L115 WeakPolarHBondContact O-CD1 3.25Å; I111-L115 WeakPolarHBondContact O-CG 3.32Å; I111-L115 PolarHBondContact O-N 2.8Å
112	C	34.4	Very low	34.6	Very low	70 Å²	70	104.5 Å²	104.5	47%	0.473	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-35.9	176.3	-88.9	0	0	0	0	113.7	E108 K116	E108-C112 PolarHBondContact O-N 3.28Å; C112-K116 VanDerWaalsContact O-CB 3.3Å; C112-K116 WeakPolarHBondContact O-CB 3.44Å; C112-K116 VanDerWaalsContact O-CG 3.31Å; C112-K116 WeakPolarHBondContact O-CG 3.22Å; C112-K116 PolarHBondContact O-N 3.2Å
113	S	40.9	Very low	34.6	Very low	63 Å²	63	98.4 Å²	98.4	44%	0.441	48%	0.484	S	S	.	.	H	α-helix	trans	-69.1	-43.8	178.2	-172.8	0	0	0	0	112.4	R109 S110 I111 K117	R109-S113 VanDerWaalsContact O-CB 3.3Å; R109-S113 WeakPolarHBondContact O-CB 3.24Å; R109-S113 PolarHBondContact O-N 3.35Å; S110-S113 PolarHBondContact O-N 3.05Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.35Å; S113-K117 PolarHBondContact O-N 3.33Å
114	I	34.8	Very low	34.7	Very low	62 Å²	62	94.3 Å²	94.3	32%	0.318	47%	0.472	S	S	.	.	H	α-helix	trans	-65.1	-42.5	176.7	-67	165.1	0	0	0	110.1	L86 S110 I111 K117	L86-I114 HydrophobicContact CD1-CG2 4.27Å; S110-I114 WeakPolarHBondContact O-CD1 3.49Å; S110-I114 VanDerWaalsContact O-CG1 3.25Å; S110-I114 WeakPolarHBondContact O-CG1 3.26Å; S110-I114 PolarHBondContact O-N 3.3Å; I111-I114 PolarHBondContact O-N 3.34Å; I114-K117 PolarHBondContact O-N 3.41Å
115	L	36.6	Very low	34.7	Very low	38 Å²	38	89.6 Å²	89.6	20%	0.199	46%	0.456	C	S	.	.	H	α-helix	trans	-72.3	-34.6	-178.3	-65.8	173.2	0	0	0	113.1	I111 K117 C118 S119 I120 I122	I111-L115 HydrophobicContact CG2-CD1 3.49Å; I111-L115 VanDerWaalsContact CG2-CD1 3.49Å; I111-L115 HydrophobicContact CG2-CG 4.25Å; I111-L115 VanDerWaalsContact O-CB 3.32Å; I111-L115 WeakPolarHBondContact O-CB 3.12Å; I111-L115 WeakPolarHBondContact O-CD1 3.25Å; I111-L115 WeakPolarHBondContact O-CG 3.32Å; I111-L115 PolarHBondContact O-N 2.8Å; L115-K117 PolarHBondContact O-N 2.76Å; L115-C118 PolarHBondContact O-N 3.03Å; L115-C118 VanDerWaalsContact O-N 3.15Å; L115-S119 PolarHBondContact O-N 3.48Å; L115-I120 HydrophobicContact CD2-CB 4.39Å; L115-I120 HydrophobicContact CD2-CG2 4.36Å; L115-I122 HydrophobicContact CD1-CB 4.12Å; L115-I122 HydrophobicContact CD1-CD1 3.94Å; L115-I122 HydrophobicContact CD1-CG1 4.22Å; L115-I122 HydrophobicContact CD2-CD1 3.64Å; L115-I122 HydrophobicContact CD2-CG1 4.17Å; L115-I122 HydrophobicContact CG-CD1 4.46Å
116	K	33.4	Very low	34.4	Very low	183 Å²	183	88.6 Å²	88.6	80%	0.796	46%	0.455	S	S	*	.	H	α-helix	trans	-59.6	-30.9	171.4	-87.5	-177.6	176	-175.4	0	113	C112 C118	C112-K116 VanDerWaalsContact O-CB 3.3Å; C112-K116 WeakPolarHBondContact O-CB 3.44Å; C112-K116 VanDerWaalsContact O-CG 3.31Å; C112-K116 WeakPolarHBondContact O-CG 3.22Å; C112-K116 PolarHBondContact O-N 3.2Å; K116-C118 VanDerWaalsContact C-N 3.33Å
117	K	33.5	Very low	34.4	Very low	175 Å²	175	82.1 Å²	82.1	76%	0.761	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.5	178.5	-71.6	-179.2	-179.9	-177.3	0	113.7	S113 I114 L115	S113-K117 PolarHBondContact O-N 3.33Å; I114-K117 PolarHBondContact O-N 3.41Å; L115-K117 PolarHBondContact O-N 2.76Å
118	C	29.1	Very low	34	Very low	43 Å²	43	85.3 Å²	85.3	29%	0.291	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-0.2	-171	-63.2	0	0	0	0	114.9	L86 L115 K116 I120	L86-C118 HydrophobicContact CD2-CB 4.46Å; L86-C118 VanDerWaalsContact CD2-SG 3.56Å; L115-C118 PolarHBondContact O-N 3.03Å; L115-C118 VanDerWaalsContact O-N 3.15Å; K116-C118 VanDerWaalsContact C-N 3.33Å; C118-I120 HydrophobicContact CB-CB 4.4Å; C118-I120 HydrophobicContact CB-CD1 3.85Å; C118-I120 HydrophobicContact CB-CG1 3.96Å; C118-I120 WeakPolarHBondContact O-CG1 3.31Å; C118-I120 PolarHBondContact O-N 3.46Å
119	S	33.2	Very low	34.2	Very low	70 Å²	70	84.5 Å²	84.5	49%	0.49	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	27.5	-172.4	-59.2	0	0	0	0	113.3	L115	L115-S119 PolarHBondContact O-N 3.48Å
120	I	33.1	Very low	34.3	Very low	79 Å²	79	81.8 Å²	81.8	41%	0.405	43%	0.429	S	S	.	.			trans	-96.4	114.6	175.7	-64.7	170.7	0	0	0	106.7	L115 C118 I122	L115-I120 HydrophobicContact CD2-CB 4.39Å; L115-I120 HydrophobicContact CD2-CG2 4.36Å; C118-I120 HydrophobicContact CB-CB 4.4Å; C118-I120 HydrophobicContact CB-CD1 3.85Å; C118-I120 HydrophobicContact CB-CG1 3.96Å; C118-I120 WeakPolarHBondContact O-CG1 3.31Å; C118-I120 PolarHBondContact O-N 3.46Å; I120-I122 HydrophobicContact CG2-CD1 4.48Å; I120-I122 HydrophobicContact CG2-CG1 4.14Å
121	F	32.6	Very low	34	Very low	98 Å²	98	83 Å²	83	43%	0.43	44%	0.437	S	S	.	.			trans	-92.6	118.7	-179.4	-64.9	-77.3	0	0	0	110.3	I67	I67-F121 HydrophobicContact CB-CE1 3.9Å; I67-F121 HydrophobicContact CB-CZ 4.37Å; I67-F121 HydrophobicContact CD1-CD1 3.92Å; I67-F121 HydrophobicContact CD1-CE1 3.53Å; I67-F121 HydrophobicContact CG1-CE1 4.27Å; I67-F121 HydrophobicContact CG2-CE1 3.68Å; I67-F121 HydrophobicContact CG2-CZ 3.88Å
122	I	32.6	Very low	33.7	Very low	50 Å²	50	92.3 Å²	92.3	26%	0.256	47%	0.47	S	S	.	.			trans	-119.2	117.2	175.2	-62.1	-175.1	0	0	0	107.1	L115 I120 L124 L175	L115-I122 HydrophobicContact CD1-CB 4.12Å; L115-I122 HydrophobicContact CD1-CD1 3.94Å; L115-I122 HydrophobicContact CD1-CG1 4.22Å; L115-I122 HydrophobicContact CD2-CD1 3.64Å; L115-I122 HydrophobicContact CD2-CG1 4.17Å; L115-I122 HydrophobicContact CG-CD1 4.46Å; I120-I122 HydrophobicContact CG2-CD1 4.48Å; I120-I122 HydrophobicContact CG2-CG1 4.14Å; I122-L124 HydrophobicContact CG2-CD2 4.27Å; I122-L124 HydrophobicContact CG2-CG 4.29Å; I122-L175 HydrophobicContact CD1-CD1 4.44Å; I122-L175 HydrophobicContact CG2-CD1 3.16Å; I122-L175 HydrophobicContact CG2-CG 4.24Å
123	C	30.7	Very low	33.6	Very low	43 Å²	43	92.5 Å²	92.5	29%	0.291	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.1	167.8	-83.3	0	0	0	0	109.4	I54 S176	I54-C123 HydrophobicContact CD1-CB 4.49Å; I54-C123 WeakPolarHBondContact CD1-SG 3.3Å; C123-S176 PolarHBondContact O-N 3.33Å
124	L	32.7	Very low	33.2	Very low	62 Å²	62	94.1 Å²	94.1	33%	0.325	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.9	168.5	-66.3	172.3	0	0	0	107.9	I122 Y173 L175	I122-L124 HydrophobicContact CG2-CD2 4.27Å; I122-L124 HydrophobicContact CG2-CG 4.29Å; L124-Y173 HydrophobicContact CB-CD1 4.06Å; L124-L175 HydrophobicContact CD2-CD1 3.65Å
125	S	32.4	Very low	32.9	Very low	55 Å²	55	98 Å²	98	39%	0.385	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119	172.7	-178	0	0	0	0	109.1	R174	S125-R174 PolarHBondContact N-O 3.41Å; S125-R174 PolarHBondContact O-N 3.49Å
126	P	30.2	Very low	32.6	Very low	71 Å²	71	101.6 Å²	101.6	46%	0.461	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.8	173.7	29.2	-32.4	0	0	0	109.7	Y172 Y173	P126-Y172 WeakPolarHBondContact CA-O 3.33Å; P126-Y173 HydrophobicContact CB-CD1 4.49Å; P126-Y173 HydrophobicContact CB-CE1 4.43Å
127	F	37.2	Very low	32.3	Very low	53 Å²	53	96.8 Å²	96.8	23%	0.232	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.2	169.6	60.1	-94.9	0	0	0	110.3	L133 A165 Y172 R174	F127-L133 HydrophobicContact CD2-CD1 4.06Å; F127-L133 HydrophobicContact CE2-CD1 3.18Å; F127-L133 HydrophobicContact CE2-CG 4.46Å; F127-L133 HydrophobicContact CZ-CD1 3.85Å; F127-A165 HydrophobicContact CZ-CB 4.45Å; F127-Y172 HydrophobicContact CE2-CD2 4.33Å; F127-Y172 AromaticContact CE2-CG 3.84Å; F127-Y172 HydrophobicContact CE2-CG 3.84Å; F127-Y172 HydrophobicContact CZ-CG 4.19Å; F127-Y172 PolarHBondContact N-O 3.36Å; F127-R174 HydrophobicContact CD1-CB 3.84Å; F127-R174 HydrophobicContact CE1-CB 3.76Å
128	Y	32.3	Very low	32.1	Very low	153 Å²	153	91.5 Å²	91.5	60%	0.6	47%	0.473	S	S	*	.			trans	-106.7	98.4	172.7	-65.4	-86.2	0	0	0	107.8	K171	Y128-K171 HydrophobicContact CE1-CD 4.27Å; Y128-K171 HydrophobicContact CE1-CG 3.78Å; Y128-K171 VanDerWaalsContact OH-CD 3.29Å; Y128-K171 WeakPolarHBondContact OH-CD 3.36Å; Y128-K171 WeakPolarHBondContact OH-CE 3.42Å; Y128-K171 PolarHBondContact OH-NZ 3.21Å
129	N	36.2	Very low	32	Very low	107 Å²	107	94.6 Å²	94.6	57%	0.572	49%	0.485	S	S	*	.			trans	-157.8	119.2	159.3	-123.7	-15	0	0	0	110.7
130	H	37.9	Very low	31.9	Very low	147 Å²	147	92.6 Å²	92.6	68%	0.681	47%	0.469	S	S	*	.			trans	-84.8	-7	-176.3	-83.1	-71.7	0	0	0	113.7
131	S	33.7	Very low	31.7	Very low	84 Å²	84	92 Å²	92	59%	0.587	47%	0.466	S	S	*	.	S	Bend	trans	-108.7	117.2	-174.7	48.2	0	0	0	0	110.3
132	R	30.9	Very low	31.5	Very low	232 Å²	232	92 Å²	92	88%	0.875	47%	0.466	S	S	*	.			trans	80	36.7	169.6	-56.3	-177.9	166.4	-175.6	-3.9	119	S134	R132-S134 VanDerWaalsContact C-N 3.28Å; R132-S134 PolarHBondContact O-N 3.01Å
133	L	32.6	Very low	31.4	Very low	75 Å²	75	98 Å²	98	39%	0.393	49%	0.49	S	S	.	.			trans	-92.8	62.5	156.5	-77.5	153.5	0	0	0	110.8	F127 N135	F127-L133 HydrophobicContact CD2-CD1 4.06Å; F127-L133 HydrophobicContact CE2-CD1 3.18Å; F127-L133 HydrophobicContact CE2-CG 4.46Å; F127-L133 HydrophobicContact CZ-CD1 3.85Å; L133-N135 PolarHBondContact O-N 3.35Å
134	S	32.1	Very low	31.3	Very low	96 Å²	96	106.8 Å²	106.8	67%	0.671	52%	0.517	S	S	*	.			trans	-67.3	109.3	162.8	55.4	0	0	0	0	108.2	R132 Q136	R132-S134 VanDerWaalsContact C-N 3.28Å; R132-S134 PolarHBondContact O-N 3.01Å; S134-Q136 VanDerWaalsContact C-N 3.32Å; S134-Q136 PolarHBondContact O-N 2.81Å
135	N	28.6	Very low	31.2	Very low	145 Å²	145	112.9 Å²	112.9	78%	0.775	54%	0.536	S	S	*	.			trans	40.8	49	159.1	-75.9	-12.9	0	0	0	116	L133 N137	L133-N135 PolarHBondContact O-N 3.35Å; N135-N137 VanDerWaalsContact C-N 3.34Å; N135-N137 PolarHBondContact O-N 3.48Å
136	Q	29.9	Very low	31.1	Very low	113 Å²	113	118.1 Å²	118.1	53%	0.528	56%	0.559	S	S	.	*			trans	-77	92.5	172	-71.8	-164.4	-9.5	0	0	109.2	S134 W138	S134-Q136 VanDerWaalsContact C-N 3.32Å; S134-Q136 PolarHBondContact O-N 2.81Å; Q136-W138 VanDerWaalsContact O-CD1 3.32Å; Q136-W138 PolarHBondContact O-N 3.18Å; Q136-W138 PolarHBondContact O-NE1 3.27Å
137	N	27.7	Very low	31.1	Very low	81 Å²	81	123.6 Å²	123.6	43%	0.433	58%	0.578	S	S	.	*			trans	-70.5	113	173.3	-70.3	-57	0	0	0	109.7	N135 R162	N135-N137 VanDerWaalsContact C-N 3.34Å; N135-N137 PolarHBondContact O-N 3.48Å; N137-R162 HydrophobicContact CB-CG 4.4Å
138	W	29.2	Very low	31	Very low	65 Å²	65	126 Å²	126	25%	0.246	60%	0.602	C	S	.	*			trans	-76.1	148.4	171.5	-59.1	87.1	0	0	0	110.1	Q136 Y161 R162 R174	Q136-W138 VanDerWaalsContact O-CD1 3.32Å; Q136-W138 PolarHBondContact O-N 3.18Å; Q136-W138 PolarHBondContact O-NE1 3.27Å; W138-Y161 CarbonylContact C-O 3.53Å; W138-Y161 CarbonylContact O-C 3.59Å; W138-R162 VanDerWaalsContact O-CA 3.27Å; W138-R162 WeakPolarHBondContact O-CA 3.48Å; W138-R174 HydrophobicContact CH2-CG 4.06Å; W138-R174 VanDerWaalsContact CH2-CZ 3.44Å; W138-R174 HydrophobicContact CZ2-CG 4.03Å
139	I	27.1	Very low	30.7	Very low	108 Å²	108	123.7 Å²	123.7	55%	0.554	61%	0.608	S	S	*	*			trans	-126.7	115.3	-179.2	-65.7	-179.4	0	0	0	107.7	L141 V160	I139-L141 HydrophobicContact CG2-CD2 3.39Å; I139-L141 HydrophobicContact CG2-CG 4.05Å; I139-V160 HydrophobicContact CB-CG1 3.94Å; I139-V160 HydrophobicContact CD1-CG1 4.34Å; I139-V160 HydrophobicContact CG1-CG1 3.66Å; I139-V160 HydrophobicContact CG2-CB 4.21Å; I139-V160 HydrophobicContact CG2-CG1 3.67Å; I139-V160 HydrophobicContact CG2-CG2 3.85Å
140	I	30.1	Very low	30.2	Very low	28 Å²	28	123.4 Å²	123.4	14%	0.144	62%	0.615	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.1	135.3	174.2	-52	-172.5	0	0	0	108.9	K159 V160 Y161 F163 L175 I177	I140-K159 CarbonylContact C-O 3.6Å; I140-K159 CarbonylContact O-C 3.55Å; I140-V160 CarbonylContact O-C 3.57Å; I140-V160 VanDerWaalsContact O-CA 3.29Å; I140-V160 WeakPolarHBondContact O-CA 3.19Å; I140-Y161 HydrophobicContact CB-CD2 4.32Å; I140-Y161 PolarHBondContact N-O 3.41Å; I140-Y161 WeakPolarHBondContact O-CD2 3.3Å; I140-Y161 PolarHBondContact O-N 3.3Å; I140-F163 HydrophobicContact CB-CE2 4.44Å; I140-F163 HydrophobicContact CD1-CD2 3.83Å; I140-F163 HydrophobicContact CD1-CE2 3.34Å; I140-F163 HydrophobicContact CD1-CZ 4.3Å; I140-F163 HydrophobicContact CG1-CD2 4.33Å; I140-F163 HydrophobicContact CG1-CE2 3.94Å; I140-L175 HydrophobicContact CD1-CD2 4.3Å; I140-I177 HydrophobicContact CD1-CB 3.87Å; I140-I177 HydrophobicContact CD1-CD1 3.34Å; I140-I177 HydrophobicContact CD1-CG1 3.52Å; I140-I177 HydrophobicContact CG2-CB 4.48Å; I140-I177 HydrophobicContact CG2-CD1 4.41Å
141	L	28.2	Very low	29.6	Very low	65 Å²	65	123.6 Å²	123.6	34%	0.34	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.2	121.5	-162.8	-57.7	178.5	0	0	0	112.8	I139 I157 K159 V160	I139-L141 HydrophobicContact CG2-CD2 3.39Å; I139-L141 HydrophobicContact CG2-CG 4.05Å; L141-I157 HydrophobicContact CB-CG2 3.79Å; L141-I157 HydrophobicContact CD1-CB 4.15Å; L141-I157 HydrophobicContact CD1-CD1 3.51Å; L141-I157 HydrophobicContact CD1-CG1 3.7Å; L141-I157 HydrophobicContact CD1-CG2 3.42Å; L141-I157 VanDerWaalsContact CD1-CG2 3.42Å; L141-I157 HydrophobicContact CD2-CB 4.45Å; L141-I157 HydrophobicContact CD2-CG2 3.04Å; L141-I157 HydrophobicContact CG-CG2 3.5Å; L141-I157 VanDerWaalsContact CG-CG2 3.5Å; L141-K159 WeakPolarHBondContact CA-O 3.36Å; L141-V160 HydrophobicContact CD2-CB 4.43Å; L141-V160 HydrophobicContact CD2-CG2 3.63Å
142	K	30.2	Very low	29.2	Very low	99 Å²	99	127.2 Å²	127.2	43%	0.43	63%	0.629	S	S	.	*			trans	-114.2	135.8	175.6	-168.6	177.5	-179.8	178.3	0	112.1	T158 K159 Y161	K142-T158 PolarHBondContact O-N 3.45Å; K142-T158 PolarHBondContact O-OG1 3.48Å; K142-K159 HydrophobicContact CB-CB 4.32Å; K142-K159 PolarHBondContact N-O 3.45Å; K142-K159 PolarHBondContact O-N 2.6Å; K142-Y161 HydrophobicContact CB-CE2 4.26Å
143	K	28.8	Very low	28.8	Very low	176 Å²	176	124.3 Å²	124.3	77%	0.765	62%	0.624	S	S	*	*			trans	-100.4	137.4	177.6	-176.1	177.8	-179.8	177.6	0	111.1
144	R	29	Very low	28.3	Very low	228 Å²	228	127.8 Å²	127.8	86%	0.86	64%	0.637	S	S	*	*			trans	-107.9	139.6	170.6	-152.5	179.4	-172	-178.5	2.2	109.5
145	R	31.6	Very low	27.9	Very low	189 Å²	189	132.1 Å²	132.1	71%	0.713	64%	0.639	S	S	*	*			trans	-81.9	133.1	175.5	-73.2	179.4	177.2	173.2	-2.7	109.3
146	N	30.1	Very low	27.8	Very low	165 Å²	165	132.3 Å²	132.3	88%	0.882	63%	0.63	S	S	*	*			trans	-132.7	140.5	158.1	-119.8	8.2	0	0	0	109.6
147	H	30.2	Very low	27.6	Very low	186 Å²	186	132.3 Å²	132.3	86%	0.861	63%	0.632	S	S	*	*			trans	-70.7	118.9	-174.7	-76.1	-94	0	0	0	111.5
148	S	33.8	Very low	27.6	Very low	105 Å²	105	132.3 Å²	132.3	73%	0.734	64%	0.635	S	S	*	*			trans	174.9	124.7	137.4	47.9	0	0	0	0	110.5
149	S	27.6	Very low	27.6	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	64%	0.641	S	S	*	*			trans	30.5	118	144.1	59.3	0	0	0	0	119.3
150	S	25.3	Very low	27.7	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	63%	0.634	S	S	*	*				68.2	131.7	129	152.9	0	0	0	0	117.8
151	L	24.9	Very low	27.9	Very low	151 Å²	151	131.3 Å²	131.3	79%	0.791	63%	0.632	S	S	*	*			trans	73.5	123.6	165	-82.1	149	0	0	0	117.2
152	M	25	Very low	27.9	Very low	160 Å²	160	136.5 Å²	136.5	79%	0.788	65%	0.648	S	S	*	*			trans	68.7	112.3	133.8	-135.4	176	-166.7	0	0	118.1
153	F	21.9	Very low	28.4	Very low	171 Å²	171	135 Å²	135	75%	0.75	64%	0.641	S	S	*	*			trans	53.4	146.3	143.5	-89	-97	0	0	0	120.2
154	H	24	Very low	28.8	Very low	147 Å²	147	133 Å²	133	68%	0.681	64%	0.639	S	S	*	*			trans	75.8	135.6	159.7	-71.1	-66.1	0	0	0	117.2
155	R	23.2	Very low	29.3	Very low	188 Å²	188	124.1 Å²	124.1	71%	0.709	61%	0.614	S	S	*	*			trans	78.3	132.3	141.3	-72.8	162.8	178.5	-160.9	2.2	115.8
156	Y	25.8	Very low	29.9	Very low	149 Å²	149	118 Å²	118	58%	0.584	60%	0.595	S	S	*	*			cis	-148.4	155.6	12.8	-80.7	-72.6	0	0	0	111.2
157	I	26.4	Very low	30.3	Very low	112 Å²	112	116.1 Å²	116.1	57%	0.574	58%	0.581	S	S	*	*			trans	-75.3	120.7	157.3	-70.3	167.4	0	0	0	107.3	L141	L141-I157 HydrophobicContact CB-CG2 3.79Å; L141-I157 HydrophobicContact CD1-CB 4.15Å; L141-I157 HydrophobicContact CD1-CD1 3.51Å; L141-I157 HydrophobicContact CD1-CG1 3.7Å; L141-I157 HydrophobicContact CD1-CG2 3.42Å; L141-I157 VanDerWaalsContact CD1-CG2 3.42Å; L141-I157 HydrophobicContact CD2-CB 4.45Å; L141-I157 HydrophobicContact CD2-CG2 3.04Å; L141-I157 HydrophobicContact CG-CG2 3.5Å; L141-I157 VanDerWaalsContact CG-CG2 3.5Å
158	T	28.2	Very low	30.9	Very low	81 Å²	81	109.6 Å²	109.6	50%	0.497	56%	0.556	S	S	.	*			trans	-123.1	-4.5	-168.3	35.4	0	0	0	0	118.3	K142	K142-T158 PolarHBondContact O-N 3.45Å; K142-T158 PolarHBondContact O-OG1 3.48Å
159	K	28.7	Very low	31.3	Very low	86 Å²	86	111.7 Å²	111.7	37%	0.374	56%	0.559	S	S	.	*			trans	-144.8	126.8	165.8	-78.8	-167.6	173.3	-170.6	0	108.6	D91 I140 L141 K142 Y161	D91-K159 IonicContact OD1-NZ 2.92Å; D91-K159 PolarHBondContact OD1-NZ 3.12Å; I140-K159 CarbonylContact C-O 3.6Å; I140-K159 CarbonylContact O-C 3.55Å; L141-K159 WeakPolarHBondContact CA-O 3.36Å; K142-K159 HydrophobicContact CB-CB 4.32Å; K142-K159 PolarHBondContact N-O 3.45Å; K142-K159 PolarHBondContact O-N 2.6Å; K159-Y161 HydrophobicContact CB-CE2 4.08Å
160	V	28.4	Very low	32.3	Very low	67 Å²	67	114.8 Å²	114.8	41%	0.406	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	110.3	173.9	168	0	0	0	0	106.9	I139 I140 L141 R162	I139-V160 HydrophobicContact CB-CG1 3.94Å; I139-V160 HydrophobicContact CD1-CG1 4.34Å; I139-V160 HydrophobicContact CG1-CG1 3.66Å; I139-V160 HydrophobicContact CG2-CB 4.21Å; I139-V160 HydrophobicContact CG2-CG1 3.67Å; I139-V160 HydrophobicContact CG2-CG2 3.85Å; I140-V160 CarbonylContact O-C 3.57Å; I140-V160 VanDerWaalsContact O-CA 3.29Å; I140-V160 WeakPolarHBondContact O-CA 3.19Å; L141-V160 HydrophobicContact CD2-CB 4.43Å; L141-V160 HydrophobicContact CD2-CG2 3.63Å; V160-R162 HydrophobicContact CG1-CG 4.44Å
161	Y	34.5	Very low	32.8	Very low	27 Å²	27	113.7 Å²	113.7	11%	0.106	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116	170.8	-63.9	-91.5	0	0	0	109.6	I90 Q94 W138 I140 K142 K159 F163	I90-Y161 HydrophobicContact CG2-CE1 3.95Å; Q94-Y161 VanDerWaalsContact CD-CD1 3.48Å; Q94-Y161 HydrophobicContact CG-CD1 4.45Å; Q94-Y161 HydrophobicContact CG-CE1 4.5Å; W138-Y161 CarbonylContact C-O 3.53Å; W138-Y161 CarbonylContact O-C 3.59Å; I140-Y161 HydrophobicContact CB-CD2 4.32Å; I140-Y161 PolarHBondContact N-O 3.41Å; I140-Y161 WeakPolarHBondContact O-CD2 3.3Å; I140-Y161 PolarHBondContact O-N 3.3Å; K142-Y161 HydrophobicContact CB-CE2 4.26Å; K159-Y161 HydrophobicContact CB-CE2 4.08Å; Y161-F163 HydrophobicContact CG-CE2 4.32Å; Y161-F163 HydrophobicContact CG-CZ 4.36Å
162	R	29.1	Very low	33.5	Very low	175 Å²	175	109.1 Å²	109.1	66%	0.66	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-86.1	117.2	167.2	-69.3	-177.1	-179.8	171	-0.2	108.9	N137 W138 V160	N137-R162 HydrophobicContact CB-CG 4.4Å; W138-R162 VanDerWaalsContact O-CA 3.27Å; W138-R162 WeakPolarHBondContact O-CA 3.48Å; V160-R162 HydrophobicContact CG1-CG 4.44Å
163	F	39.5	Very low	34.1	Very low	67 Å²	67	103.3 Å²	103.3	29%	0.294	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-103.7	126.4	169.6	-63.2	-86.7	0	0	0	108.3	I140 Y161 L175	I140-F163 HydrophobicContact CB-CE2 4.44Å; I140-F163 HydrophobicContact CD1-CD2 3.83Å; I140-F163 HydrophobicContact CD1-CE2 3.34Å; I140-F163 HydrophobicContact CD1-CZ 4.3Å; I140-F163 HydrophobicContact CG1-CD2 4.33Å; I140-F163 HydrophobicContact CG1-CE2 3.94Å; Y161-F163 HydrophobicContact CG-CE2 4.32Å; Y161-F163 HydrophobicContact CG-CZ 4.36Å; F163-L175 HydrophobicContact CB-CD2 4.36Å; F163-L175 HydrophobicContact CD1-CD2 3.6Å; F163-L175 HydrophobicContact CD2-CD2 3.61Å; F163-L175 HydrophobicContact CE1-CD2 3.67Å; F163-L175 HydrophobicContact CE2-CD2 3.7Å; F163-L175 HydrophobicContact CG-CD2 3.56Å; F163-L175 HydrophobicContact CZ-CD2 3.72Å
164	N	38.1	Very low	34.7	Very low	135 Å²	135	98.8 Å²	98.8	72%	0.722	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-71.6	146.3	162.4	-71.6	-22	0	0	0	108.1	I166	N164-I166 PolarHBondContact O-N 3.32Å; N164-I166 VanDerWaalsContact O-N 3.11Å
165	A	39.7	Very low	35.5	Very low	40 Å²	40	92.9 Å²	92.9	33%	0.331	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-53	123.8	172.3	0	0	0	0	0	108.6	F127 Q167 Y172	F127-A165 HydrophobicContact CZ-CB 4.45Å; A165-Q167 PolarHBondContact O-N 3.03Å; A165-Y172 HydrophobicContact CB-CD1 3.85Å
166	I	42.6	Very low	36	Very low	60 Å²	60	86.4 Å²	86.4	31%	0.308	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	114.7	178.6	-59.8	171.5	0	0	0	106.1	N164 Y172 Y173	N164-I166 PolarHBondContact O-N 3.32Å; N164-I166 VanDerWaalsContact O-N 3.11Å; I166-Y172 WeakPolarHBondContact O-CA 3.46Å; I166-Y173 WeakPolarHBondContact O-CD2 3.49Å; I166-Y173 PolarHBondContact O-N 3.38Å; I166-Y173 VanDerWaalsContact O-N 3.12Å
167	Q	40.2	Very low	36.5	Very low	126 Å²	126	82.1 Å²	82.1	59%	0.589	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	116.3	169.7	-173	179.6	1.5	0	0	108.2	A165 K171 Y172	A165-Q167 PolarHBondContact O-N 3.03Å; Q167-K171 WeakPolarHBondContact CA-O 3.45Å; Q167-Y172 HydrophobicContact CB-CE1 4.49Å
168	S	41.3	Very low	37	Very low	49 Å²	49	80.3 Å²	80.3	34%	0.343	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.2	167.7	174.9	0	0	0	0	108.2	K170 K171	S168-K170 PolarHBondContact O-N 3.28Å; S168-K171 PolarHBondContact N-O 3.32Å; S168-K171 WeakPolarHBondContact O-CA 3.34Å; S168-K171 WeakPolarHBondContact O-CB 3.48Å; S168-K171 PolarHBondContact O-N 3.41Å
169	N	42.5	Very low	37.3	Very low	150 Å²	150	82.1 Å²	82.1	80%	0.802	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	51.1	179.3	-71.6	-17.1	0	0	0	114.7	K171	N169-K171 PolarHBondContact O-N 3.21Å; N169-K171 VanDerWaalsContact O-N 3.09Å
170	K	48.9	Very low	37.4	Very low	169 Å²	169	80.9 Å²	80.9	74%	0.735	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	7.7	-176.4	-56.3	177.9	177	178.3	0	115.1	S168	S168-K170 PolarHBondContact O-N 3.28Å
171	K	36.7	Very low	37.6	Very low	77 Å²	77	83.7 Å²	83.7	34%	0.335	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.2	175.6	-53.1	-175	-169	-172.1	0	109.6	Y128 Q167 S168 N169 Y173	Y128-K171 HydrophobicContact CE1-CD 4.27Å; Y128-K171 HydrophobicContact CE1-CG 3.78Å; Y128-K171 VanDerWaalsContact OH-CD 3.29Å; Y128-K171 WeakPolarHBondContact OH-CD 3.36Å; Y128-K171 WeakPolarHBondContact OH-CE 3.42Å; Y128-K171 PolarHBondContact OH-NZ 3.21Å; Q167-K171 WeakPolarHBondContact CA-O 3.45Å; S168-K171 PolarHBondContact N-O 3.32Å; S168-K171 WeakPolarHBondContact O-CA 3.34Å; S168-K171 WeakPolarHBondContact O-CB 3.48Å; S168-K171 PolarHBondContact O-N 3.41Å; N169-K171 PolarHBondContact O-N 3.21Å; N169-K171 VanDerWaalsContact O-N 3.09Å; K171-Y173 HydrophobicContact CB-CE2 3.91Å
172	Y	38.9	Very low	37.6	Very low	55 Å²	55	88.3 Å²	88.3	22%	0.216	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.6	171.8	-64.2	-89.2	0	0	0	109.1	P126 F127 A165 I166 Q167	P126-Y172 WeakPolarHBondContact CA-O 3.33Å; F127-Y172 HydrophobicContact CE2-CD2 4.33Å; F127-Y172 AromaticContact CE2-CG 3.84Å; F127-Y172 HydrophobicContact CE2-CG 3.84Å; F127-Y172 HydrophobicContact CZ-CG 4.19Å; F127-Y172 PolarHBondContact N-O 3.36Å; A165-Y172 HydrophobicContact CB-CD1 3.85Å; I166-Y172 WeakPolarHBondContact O-CA 3.46Å; Q167-Y172 HydrophobicContact CB-CE1 4.49Å
173	Y	37.1	Very low	37.9	Very low	38 Å²	38	87.9 Å²	87.9	15%	0.149	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.8	178.8	-64.9	-98.9	0	0	0	110.1	L124 P126 I166 K171	L124-Y173 HydrophobicContact CB-CD1 4.06Å; P126-Y173 HydrophobicContact CB-CD1 4.49Å; P126-Y173 HydrophobicContact CB-CE1 4.43Å; I166-Y173 WeakPolarHBondContact O-CD2 3.49Å; I166-Y173 PolarHBondContact O-N 3.38Å; I166-Y173 VanDerWaalsContact O-N 3.12Å; K171-Y173 HydrophobicContact CB-CE2 3.91Å
174	R	35.7	Very low	37.6	Very low	77 Å²	77	88.6 Å²	88.6	29%	0.291	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.5	169.2	-174.1	175.6	177.6	174.7	1.4	108.8	S125 F127 W138	S125-R174 PolarHBondContact N-O 3.41Å; S125-R174 PolarHBondContact O-N 3.49Å; F127-R174 HydrophobicContact CD1-CB 3.84Å; F127-R174 HydrophobicContact CE1-CB 3.76Å; W138-R174 HydrophobicContact CH2-CG 4.06Å; W138-R174 VanDerWaalsContact CH2-CZ 3.44Å; W138-R174 HydrophobicContact CZ2-CG 4.03Å
175	L	39.1	Very low	37.5	Very low	23 Å²	23	88.7 Å²	88.7	12%	0.12	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.8	172.6	-170.1	79.1	0	0	0	109.1	I122 L124 I140 F163 I177	I122-L175 HydrophobicContact CD1-CD1 4.44Å; I122-L175 HydrophobicContact CG2-CD1 3.16Å; I122-L175 HydrophobicContact CG2-CG 4.24Å; L124-L175 HydrophobicContact CD2-CD1 3.65Å; I140-L175 HydrophobicContact CD1-CD2 4.3Å; F163-L175 HydrophobicContact CB-CD2 4.36Å; F163-L175 HydrophobicContact CD1-CD2 3.6Å; F163-L175 HydrophobicContact CD2-CD2 3.61Å; F163-L175 HydrophobicContact CE1-CD2 3.67Å; F163-L175 HydrophobicContact CE2-CD2 3.7Å; F163-L175 HydrophobicContact CG-CD2 3.56Å; F163-L175 HydrophobicContact CZ-CD2 3.72Å; L175-I177 HydrophobicContact CD2-CD1 4.1Å; L175-I177 HydrophobicContact CD2-CG1 4.24Å; L175-I177 HydrophobicContact CG-CG1 4.16Å
176	S	35.1	Very low	37.5	Very low	51 Å²	51	91.3 Å²	91.3	36%	0.357	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.6	171.4	-58.2	0	0	0	0	109	C123	C123-S176 PolarHBondContact O-N 3.33Å
177	I	36.5	Very low	37.1	Very low	60 Å²	60	91.4 Å²	91.4	31%	0.308	45%	0.452	S	S	.	.			trans	-103.6	111.2	174.3	-54	-171.2	0	0	0	107.9	I140 L175 I179	I140-I177 HydrophobicContact CD1-CB 3.87Å; I140-I177 HydrophobicContact CD1-CD1 3.34Å; I140-I177 HydrophobicContact CD1-CG1 3.52Å; I140-I177 HydrophobicContact CG2-CB 4.48Å; I140-I177 HydrophobicContact CG2-CD1 4.41Å; L175-I177 HydrophobicContact CD2-CD1 4.1Å; L175-I177 HydrophobicContact CD2-CG1 4.24Å; L175-I177 HydrophobicContact CG-CG1 4.16Å; I177-I179 HydrophobicContact CG2-CG1 4.24Å
178	T	36	Very low	36.9	Very low	74 Å²	74	90.2 Å²	90.2	45%	0.454	45%	0.447	S	S	.	.			trans	-100.3	116	173.7	-56.1	0	0	0	0	108.5
179	I	34.3	Very low	36.8	Very low	118 Å²	118	92.8 Å²	92.8	61%	0.605	46%	0.456	S	S	*	.			trans	-96.7	112.7	174	-54.5	176.7	0	0	0	107.4	I177 P181	I177-I179 HydrophobicContact CG2-CG1 4.24Å; I179-P181 WeakPolarHBondContact O-CD 3.44Å
180	C	31.9	Very low	36.6	Very low	60 Å²	60	91.7 Å²	91.7	41%	0.405	45%	0.446	S	S	.	.			trans	-76.2	119	170.5	-65.7	0	0	0	0	109.1	M182	C180-M182 PolarHBondContact O-N 3.3Å
181	P	31.5	Very low	36.1	Very low	126 Å²	126	89.1 Å²	89.1	82%	0.818	44%	0.435	S	S	*	.			trans	-72.8	118.8	173.9	29	-31.3	0	0	0	109.4	I179	I179-P181 WeakPolarHBondContact O-CD 3.44Å
182	M	35.3	Very low	36.3	Very low	124 Å²	124	93.2 Å²	93.2	61%	0.611	46%	0.456	S	S	*	.			trans	-116.5	137	165.6	-99.5	-178.3	154.3	0	0	109	C180 L187	C180-M182 PolarHBondContact O-N 3.3Å; M182-L187 HydrophobicContact CB-CD1 4.08Å; M182-L187 HydrophobicContact SD-CD1 4Å; M182-L187 HydrophobicContact SD-CG 4.39Å
183	R	36.1	Very low	36.2	Very low	166 Å²	166	98.1 Å²	98.1	63%	0.626	48%	0.481	S	S	*	.			trans	-73.1	131.4	169.9	-64.7	-173.4	176.5	157.5	-12.5	108.9	E185 E186 L187	R183-E185 PolarHBondContact O-N 3.43Å; R183-E186 HydrophobicContact CB-CB 4.18Å; R183-E186 HydrophobicContact CB-CG 3.87Å; R183-E186 WeakPolarHBondContact CB-OE2 3.48Å; R183-E186 WeakPolarHBondContact CD-OE1 3.45Å; R183-E186 IonicContact NE-OE1 3.66Å; R183-E186 IonicContact NH1-OE1 3.98Å; R183-E186 PolarHBondContact NH1-OE1 3.48Å; R183-E186 PolarHBondContact O-N 3.38Å; R183-L187 PolarHBondContact O-N 3.1Å
184	Y	33.3	Very low	36.5	Very low	82 Å²	82	99 Å²	99	32%	0.322	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-30.7	176	-173	-93.7	0	0	0	111.9	Y76 L187 Q188	Y76-Y184 PolarHBondContact OH-OH 2.96Å; Y184-L187 WeakPolarHBondContact O-CB 3.2Å; Y184-L187 PolarHBondContact O-N 3.25Å; Y184-Q188 VanDerWaalsContact CE1-CD 3.43Å; Y184-Q188 HydrophobicContact CE1-CG 4.07Å; Y184-Q188 PolarHBondContact O-N 3.48Å; Y184-Q188 VanDerWaalsContact O-N 3.12Å; Y184-Q188 PolarHBondContact OH-NE2 3.1Å
185	E	34.7	Very low	36.7	Very low	137 Å²	137	100.7 Å²	100.7	64%	0.64	51%	0.511	S	S	*	.	H	α-helix	trans	-69.2	-31.9	176.6	-69.1	165	174.5	0	0	112.6	R183 N189	R183-E185 PolarHBondContact O-N 3.43Å; E185-N189 WeakPolarHBondContact O-CB 3.41Å; E185-N189 PolarHBondContact O-N 3.39Å; E185-N189 PolarHBondContact O-ND2 2.71Å
186	E	39.4	Very low	36.8	Very low	96 Å²	96	105.4 Å²	105.4	45%	0.449	54%	0.54	S	S	.	.	H	α-helix	trans	-71.5	-32.8	173.8	-70	165	177.3	0	0	111.2	R183 Q190	R183-E186 HydrophobicContact CB-CB 4.18Å; R183-E186 HydrophobicContact CB-CG 3.87Å; R183-E186 WeakPolarHBondContact CB-OE2 3.48Å; R183-E186 WeakPolarHBondContact CD-OE1 3.45Å; R183-E186 IonicContact NE-OE1 3.66Å; R183-E186 IonicContact NH1-OE1 3.98Å; R183-E186 PolarHBondContact NH1-OE1 3.48Å; R183-E186 PolarHBondContact O-N 3.38Å; E186-Q190 WeakPolarHBondContact O-CG 3.47Å; E186-Q190 PolarHBondContact O-N 3.12Å
187	L	34.8	Very low	37	Very low	62 Å²	62	109 Å²	109	33%	0.325	56%	0.555	S	S	.	*	H	α-helix	trans	-74	-27.9	175.7	-92	151.9	0	0	0	114.1	M182 R183 Y184 K191	M182-L187 HydrophobicContact CB-CD1 4.08Å; M182-L187 HydrophobicContact SD-CD1 4Å; M182-L187 HydrophobicContact SD-CG 4.39Å; R183-L187 PolarHBondContact O-N 3.1Å; Y184-L187 WeakPolarHBondContact O-CB 3.2Å; Y184-L187 PolarHBondContact O-N 3.25Å; L187-K191 WeakPolarHBondContact O-CG 3.1Å
188	Q	35.2	Very low	37.2	Very low	100 Å²	100	107.5 Å²	107.5	47%	0.467	55%	0.551	S	S	.	*	H	α-helix	trans	-89.5	-37.9	177.5	-90.9	-172.9	-27.2	0	0	113	Y184 Q190 K191 Q192	Y184-Q188 VanDerWaalsContact CE1-CD 3.43Å; Y184-Q188 HydrophobicContact CE1-CG 4.07Å; Y184-Q188 PolarHBondContact O-N 3.48Å; Y184-Q188 VanDerWaalsContact O-N 3.12Å; Y184-Q188 PolarHBondContact OH-NE2 3.1Å; Q188-Q190 VanDerWaalsContact C-N 3.27Å; Q188-Q190 PolarHBondContact O-N 3.24Å; Q188-K191 PolarHBondContact O-N 2.95Å; Q188-K191 VanDerWaalsContact O-N 3.08Å; Q188-Q192 PolarHBondContact O-N 3.4Å
189	N	39.4	Very low	37.5	Very low	103 Å²	103	108.9 Å²	108.9	55%	0.551	56%	0.563	S	S	*	*	H	α-helix	trans	-68.7	-27	177.1	-73.3	-18.2	0	0	0	112.3	E185	E185-N189 WeakPolarHBondContact O-CB 3.41Å; E185-N189 PolarHBondContact O-N 3.39Å; E185-N189 PolarHBondContact O-ND2 2.71Å
190	Q	39.1	Very low	37.7	Very low	127 Å²	127	110 Å²	110	59%	0.593	57%	0.57	S	S	*	*	H	α-helix	trans	-73.8	-32.8	168.5	-75.5	-176.5	-14.2	0	0	113	E186 Q188 Q192 S194	E186-Q190 WeakPolarHBondContact O-CG 3.47Å; E186-Q190 PolarHBondContact O-N 3.12Å; Q188-Q190 VanDerWaalsContact C-N 3.27Å; Q188-Q190 PolarHBondContact O-N 3.24Å; Q190-Q192 PolarHBondContact O-N 3.41Å; Q190-S194 WeakPolarHBondContact O-CB 3.5Å; Q190-S194 PolarHBondContact O-N 3.08Å; Q190-S194 PolarHBondContact O-OG 3.08Å; Q190-S194 VanDerWaalsContact O-OG 3.08Å
191	K	38.7	Very low	38.2	Very low	115 Å²	115	112.5 Å²	112.5	50%	0.5	58%	0.579	S	S	.	*	H	α-helix	trans	-73.3	-23.2	179.6	-84.2	-173.6	174.6	-168.4	0	115.1	L187 Q188	L187-K191 WeakPolarHBondContact O-CG 3.1Å; Q188-K191 PolarHBondContact O-N 2.95Å; Q188-K191 VanDerWaalsContact O-N 3.08Å
192	Q	39.7	Very low	38.5	Very low	164 Å²	164	110.5 Å²	110.5	77%	0.766	56%	0.561	S	S	*	*	H	α-helix	trans	-94.7	-16.8	176.7	-78.5	-174.7	-16.8	0	0	113.9	Q188 Q190	Q188-Q192 PolarHBondContact O-N 3.4Å; Q190-Q192 PolarHBondContact O-N 3.41Å
193	Q	37.6	Very low	38.4	Very low	157 Å²	157	109.2 Å²	109.2	73%	0.734	56%	0.561	S	S	*	*	H	α-helix	trans	-97.6	-25.1	172.9	-73.5	178.3	-19.9	0	0	113
194	S	44.3	Very low	38.4	Very low	57 Å²	57	104.4 Å²	104.4	40%	0.399	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	15.8	-176.7	93.4	0	0	0	0	116	Q190 S198	Q190-S194 WeakPolarHBondContact O-CB 3.5Å; Q190-S194 PolarHBondContact O-N 3.08Å; Q190-S194 PolarHBondContact O-OG 3.08Å; Q190-S194 VanDerWaalsContact O-OG 3.08Å; S194-S198 WeakPolarHBondContact O-CB 3.26Å; S194-S198 PolarHBondContact O-OG 2.55Å
195	V	38.4	Very low	38.4	Very low	113 Å²	113	106.7 Å²	106.7	69%	0.685	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	-14.1	176.8	-178.7	0	0	0	0	112.7
196	V	41.1	Very low	38.4	Very low	121 Å²	121	102.5 Å²	102.5	73%	0.733	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	-18.4	-178.8	-174.9	0	0	0	0	113.4
197	N	39.8	Very low	38.1	Very low	126 Å²	126	103.2 Å²	103.2	67%	0.674	56%	0.563	S	S	*	*	S	Bend	trans	-130.2	4.4	-179.9	-75.8	-19.3	0	0	0	115.6
198	S	39.9	Very low	37.9	Very low	30 Å²	30	105.5 Å²	105.5	21%	0.21	57%	0.568	C	S	.	*	H	α-helix	trans	-95.6	-7.8	-167.5	53.7	0	0	0	0	115.9	S194 L200 D202	S194-S198 WeakPolarHBondContact O-CB 3.26Å; S194-S198 PolarHBondContact O-OG 2.55Å; S198-L200 PolarHBondContact O-N 2.92Å; S198-D202 WeakPolarHBondContact CA-OD2 3.45Å; S198-D202 WeakPolarHBondContact CB-OD2 3.07Å
199	S	42.3	Very low	37.9	Very low	102 Å²	102	105.3 Å²	105.3	71%	0.713	57%	0.57	S	S	*	*	H	α-helix	trans	-81.8	-9.5	-176.2	57.4	0	0	0	0	114.5
200	L	38.9	Very low	37.7	Very low	142 Å²	142	110.4 Å²	110.4	74%	0.743	58%	0.581	S	S	*	*	H	α-helix	trans	-135.8	-13.9	178.8	-92.8	126.7	0	0	0	115.7	S198 T204	S198-L200 PolarHBondContact O-N 2.92Å; L200-T204 PolarHBondContact O-OG1 3.16Å
201	N	42.6	Very low	37.8	Very low	113 Å²	113	109.9 Å²	109.9	60%	0.604	58%	0.577	S	S	*	*	H	α-helix	trans	-102.6	-23.8	177.7	-88	-9.4	0	0	0	114.7	T204 E205	N201-T204 WeakPolarHBondContact O-CB 3.38Å; N201-T204 PolarHBondContact O-N 3.46Å; N201-E205 PolarHBondContact O-N 3.03Å; N201-E205 VanDerWaalsContact O-N 3.08Å
202	D	37.6	Very low	38.1	Very low	83 Å²	83	107.1 Å²	107.1	44%	0.444	57%	0.568	S	S	.	*	H	α-helix	trans	-81.7	-24.2	-177.3	-81.9	-35.7	0	0	0	114.2	S198 T204 G206	S198-D202 WeakPolarHBondContact CA-OD2 3.45Å; S198-D202 WeakPolarHBondContact CB-OD2 3.07Å; D202-T204 PolarHBondContact O-N 3.06Å; D202-G206 PolarHBondContact O-N 3.28Å
203	V	34.8	Very low	38.8	Very low	98 Å²	98	102.8 Å²	102.8	59%	0.594	56%	0.556	S	S	*	*	H	α-helix	trans	-67.6	-31.5	167.1	178.2	0	0	0	0	109.8	L207	V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 WeakPolarHBondContact O-CB 3.5Å; V203-L207 WeakPolarHBondContact O-CD1 3.25Å; V203-L207 PolarHBondContact O-N 2.87Å; V203-L207 VanDerWaalsContact O-N 3.11Å
204	T	34.1	Very low	39.8	Very low	64 Å²	64	100.7 Å²	100.7	39%	0.393	55%	0.549	S	S	.	.	H	α-helix	trans	-75	-47.5	-178.3	-35.8	0	0	0	0	110.2	L200 N201 D202 G206 L207 Y208	L200-T204 PolarHBondContact O-OG1 3.16Å; N201-T204 WeakPolarHBondContact O-CB 3.38Å; N201-T204 PolarHBondContact O-N 3.46Å; D202-T204 PolarHBondContact O-N 3.06Å; T204-G206 PolarHBondContact O-N 3.42Å; T204-L207 PolarHBondContact O-N 3.43Å; T204-Y208 HydrophobicContact CG2-CD2 4.12Å; T204-Y208 HydrophobicContact CG2-CE2 3.85Å; T204-Y208 WeakPolarHBondContact O-CD2 3.37Å; T204-Y208 PolarHBondContact O-N 3.49Å
205	E	34.2	Very low	40.6	Very low	131 Å²	131	104.1 Å²	104.1	61%	0.612	55%	0.554	S	S	*	*	H	α-helix	trans	-67.9	-32.2	176.8	-85.6	-175.8	157.1	0	0	114.3	N201 Y208 L209	N201-E205 PolarHBondContact O-N 3.03Å; N201-E205 VanDerWaalsContact O-N 3.08Å; E205-Y208 PolarHBondContact O-N 3.03Å; E205-L209 PolarHBondContact O-N 3.44Å; E205-L209 VanDerWaalsContact O-N 3.16Å
206	G	35.6	Very low	42.1	Very low	49 Å²	49	104.1 Å²	104.1	51%	0.505	55%	0.549	S	S	.	.	H	α-helix	trans	-73.2	-29.2	173.3	0	0	0	0	0	114.3	D202 T204	D202-G206 PolarHBondContact O-N 3.28Å; T204-G206 PolarHBondContact O-N 3.42Å
207	L	32.4	Very low	43.6	Very low	111 Å²	111	103.9 Å²	103.9	58%	0.581	54%	0.543	S	S	*	.	H	α-helix	trans	-73.7	-33	166.1	-100.2	134.7	0	0	0	111.4	V203 T204 R210 K211	V203-L207 HydrophobicContact CG1-CD1 3.94Å; V203-L207 WeakPolarHBondContact O-CB 3.5Å; V203-L207 WeakPolarHBondContact O-CD1 3.25Å; V203-L207 PolarHBondContact O-N 2.87Å; V203-L207 VanDerWaalsContact O-N 3.11Å; T204-L207 PolarHBondContact O-N 3.43Å; L207-R210 PolarHBondContact O-N 3.2Å; L207-K211 WeakPolarHBondContact O-CB 3.46Å; L207-K211 PolarHBondContact O-N 3.42Å
208	Y	30.7	Very low	45.3	Very low	109 Å²	109	106.1 Å²	106.1	43%	0.427	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-41.3	177.4	-91.6	-75.8	0	0	0	112.9	T204 E205 R210 K211 D212	T204-Y208 HydrophobicContact CG2-CD2 4.12Å; T204-Y208 HydrophobicContact CG2-CE2 3.85Å; T204-Y208 WeakPolarHBondContact O-CD2 3.37Å; T204-Y208 PolarHBondContact O-N 3.49Å; E205-Y208 PolarHBondContact O-N 3.03Å; Y208-R210 PolarHBondContact O-N 2.89Å; Y208-K211 CarbonylContact O-C 3.58Å; Y208-K211 PolarHBondContact O-N 3.46Å; Y208-D212 WeakPolarHBondContact O-CB 3.36Å; Y208-D212 PolarHBondContact O-N 3.16Å
209	L	35	Very low	47.1	Very low	96 Å²	96	111 Å²	111	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-71.2	-28.5	178.4	-75.9	163.6	0	0	0	114.1	E205 S213	E205-L209 PolarHBondContact O-N 3.44Å; E205-L209 VanDerWaalsContact O-N 3.16Å; L209-S213 PolarHBondContact O-N 3.11Å; L209-S213 PolarHBondContact O-OG 3.48Å
210	R	35.5	Very low	48.8	Very low	210 Å²	210	109.4 Å²	109.4	79%	0.792	55%	0.545	S	S	*	.	H	α-helix	trans	-79.4	-27.4	171.6	-121.7	178.5	179.5	177.7	-0.7	112.1	L207 Y208	L207-R210 PolarHBondContact O-N 3.2Å; Y208-R210 PolarHBondContact O-N 2.89Å
211	K	40.2	Very low	50.7	Low	116 Å²	116	105 Å²	105	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-78.8	-31.2	175.6	-161.7	173.2	-172.5	-179.9	0	112.1	L207 Y208 N214 R215	L207-K211 WeakPolarHBondContact O-CB 3.46Å; L207-K211 PolarHBondContact O-N 3.42Å; Y208-K211 CarbonylContact O-C 3.58Å; Y208-K211 PolarHBondContact O-N 3.46Å; K211-N214 PolarHBondContact O-N 3.17Å; K211-R215 WeakPolarHBondContact O-CG 3.37Å; K211-R215 PolarHBondContact O-N 3.04Å; K211-R215 VanDerWaalsContact O-N 3.1Å
212	D	45.9	Very low	52.6	Low	57 Å²	57	102 Å²	102	31%	0.305	51%	0.512	S	S	.	.	H	α-helix	trans	-78.8	-28.3	177.6	-72.8	-25	0	0	0	113.1	Y208 N214 R215 I216	Y208-D212 WeakPolarHBondContact O-CB 3.36Å; Y208-D212 PolarHBondContact O-N 3.16Å; D212-N214 VanDerWaalsContact C-N 3.3Å; D212-N214 PolarHBondContact O-N 3.5Å; D212-R215 PolarHBondContact O-N 3.39Å; D212-R215 VanDerWaalsContact O-N 3.15Å; D212-R215 VanDerWaalsContact OD1-CD 3.26Å; D212-R215 WeakPolarHBondContact OD1-CD 3.29Å; D212-R215 IonicContact OD1-CZ 3.87Å; D212-R215 IonicContact OD1-NE 3.97Å; D212-R215 IonicContact OD1-NH1 2.98Å; D212-R215 PolarHBondContact OD1-NH1 3.31Å; D212-I216 WeakPolarHBondContact O-CG1 3.22Å; D212-I216 PolarHBondContact O-N 2.99Å
213	S	53.7	Low	54.8	Low	74 Å²	74	102.1 Å²	102.1	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-39.4	170.5	-57.7	0	0	0	0	111.5	L209 L217	L209-S213 PolarHBondContact O-N 3.11Å; L209-S213 PolarHBondContact O-OG 3.48Å; S213-L217 WeakPolarHBondContact O-CB 3.35Å; S213-L217 PolarHBondContact O-N 2.98Å
214	N	58.1	Low	57.1	Low	112 Å²	112	101.6 Å²	101.6	60%	0.599	51%	0.505	S	S	*	.	H	α-helix	trans	-71.5	-31	173.2	-80.2	-5.3	0	0	0	112.5	K211 D212 W218	K211-N214 PolarHBondContact O-N 3.17Å; D212-N214 VanDerWaalsContact C-N 3.3Å; D212-N214 PolarHBondContact O-N 3.5Å; N214-W218 WeakPolarHBondContact O-CB 3.41Å; N214-W218 PolarHBondContact O-N 2.92Å
215	R	60.9	Low	59.6	Low	130 Å²	130	103.2 Å²	103.2	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-69.8	-41.5	173.7	-76.9	170.4	167.5	175.3	-8.1	112.4	K211 D212 W218 F219	K211-R215 WeakPolarHBondContact O-CG 3.37Å; K211-R215 PolarHBondContact O-N 3.04Å; K211-R215 VanDerWaalsContact O-N 3.1Å; D212-R215 PolarHBondContact O-N 3.39Å; D212-R215 VanDerWaalsContact O-N 3.15Å; D212-R215 VanDerWaalsContact OD1-CD 3.26Å; D212-R215 WeakPolarHBondContact OD1-CD 3.29Å; D212-R215 IonicContact OD1-CZ 3.87Å; D212-R215 IonicContact OD1-NE 3.97Å; D212-R215 IonicContact OD1-NH1 2.98Å; D212-R215 PolarHBondContact OD1-NH1 3.31Å; R215-W218 PolarHBondContact O-N 2.8Å; R215-F219 VanDerWaalsContact O-CB 3.28Å; R215-F219 WeakPolarHBondContact O-CB 3.38Å; R215-F219 PolarHBondContact O-N 2.98Å
216	I	70.7	Confident	62	Low	112 Å²	112	99.3 Å²	99.3	57%	0.574	50%	0.501	S	S	*	.	H	α-helix	trans	-64.3	-45	174.7	-66.3	167.3	0	0	0	109.4	D212 W218 F219 V220	D212-I216 WeakPolarHBondContact O-CG1 3.22Å; D212-I216 PolarHBondContact O-N 2.99Å; I216-W218 VanDerWaalsContact C-N 3.34Å; I216-W218 PolarHBondContact O-N 3.48Å; I216-F219 PolarHBondContact O-N 3.22Å; I216-V220 HydrophobicContact CG2-CG2 4.32Å; I216-V220 WeakPolarHBondContact O-CB 3.31Å; I216-V220 VanDerWaalsContact O-CG2 3.26Å; I216-V220 WeakPolarHBondContact O-CG2 3.38Å; I216-V220 PolarHBondContact O-N 2.88Å
217	L	73.1	Confident	64.4	Low	116 Å²	116	100.2 Å²	100.2	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-61.3	-41.1	176.2	-171.5	67.8	0	0	0	112.2	S213 S221	S213-L217 WeakPolarHBondContact O-CB 3.35Å; S213-L217 PolarHBondContact O-N 2.98Å; L217-S221 WeakPolarHBondContact O-CB 3.39Å; L217-S221 PolarHBondContact O-N 3.28Å; L217-S221 PolarHBondContact O-OG 3.49Å
218	W	75.2	Confident	67	Low	174 Å²	174	101.8 Å²	101.8	66%	0.659	50%	0.496	S	S	*	.	H	α-helix	trans	-68.7	-37.8	175.9	-176.5	80.5	0	0	0	112.8	N214 R215 I216 S221 T222	N214-W218 WeakPolarHBondContact O-CB 3.41Å; N214-W218 PolarHBondContact O-N 2.92Å; R215-W218 PolarHBondContact O-N 2.8Å; I216-W218 VanDerWaalsContact C-N 3.34Å; I216-W218 PolarHBondContact O-N 3.48Å; W218-S221 WeakPolarHBondContact CA-OG 3.32Å; W218-S221 PolarHBondContact O-OG 3.49Å; W218-S221 VanDerWaalsContact O-OG 3.07Å; W218-T222 HydrophobicContact CD2-CG2 4.02Å; W218-T222 HydrophobicContact CE3-CG2 4.5Å; W218-T222 HydrophobicContact CG-CG2 4.46Å; W218-T222 HydrophobicContact CH2-CG2 4.35Å; W218-T222 HydrophobicContact CZ2-CG2 3.84Å; W218-T222 WeakPolarHBondContact O-CB 3.28Å; W218-T222 WeakPolarHBondContact O-CG2 3.5Å; W218-T222 PolarHBondContact O-N 3.45Å; W218-T222 PolarHBondContact O-OG1 3.49Å
219	F	78.4	Confident	69.8	Low	131 Å²	131	100.9 Å²	100.9	58%	0.575	50%	0.497	S	S	*	.	H	α-helix	trans	-65.8	-44.4	174.8	-176.3	-97.6	0	0	0	111.3	R215 I216 T222 L223	R215-F219 VanDerWaalsContact O-CB 3.28Å; R215-F219 WeakPolarHBondContact O-CB 3.38Å; R215-F219 PolarHBondContact O-N 2.98Å; I216-F219 PolarHBondContact O-N 3.22Å; F219-T222 WeakPolarHBondContact CA-OG1 3.49Å; F219-T222 PolarHBondContact O-OG1 3.01Å; F219-L223 VanDerWaalsContact O-CB 3.22Å; F219-L223 WeakPolarHBondContact O-CB 3.39Å; F219-L223 PolarHBondContact O-N 3.35Å
220	V	77.6	Confident	72.3	Confident	69 Å²	69	100.1 Å²	100.1	42%	0.418	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-42.6	176.8	174	0	0	0	0	110.6	I216 L223 I224	I216-V220 HydrophobicContact CG2-CG2 4.32Å; I216-V220 WeakPolarHBondContact O-CB 3.31Å; I216-V220 VanDerWaalsContact O-CG2 3.26Å; I216-V220 WeakPolarHBondContact O-CG2 3.38Å; I216-V220 PolarHBondContact O-N 2.88Å; V220-L223 PolarHBondContact O-N 3.05Å; V220-I224 HydrophobicContact CG1-CD1 3.92Å; V220-I224 WeakPolarHBondContact O-CD1 3.34Å; V220-I224 VanDerWaalsContact O-CG1 3.25Å; V220-I224 WeakPolarHBondContact O-CG1 3.09Å; V220-I224 PolarHBondContact O-N 3.27Å
221	S	78	Confident	74.6	Confident	50 Å²	50	92.8 Å²	92.8	35%	0.35	48%	0.475	S	S	.	.	H	α-helix	trans	-68.9	-41.5	179	67.5	0	0	0	0	113	L217 W218 L223 I224 I225	L217-S221 WeakPolarHBondContact O-CB 3.39Å; L217-S221 PolarHBondContact O-N 3.28Å; L217-S221 PolarHBondContact O-OG 3.49Å; W218-S221 WeakPolarHBondContact CA-OG 3.32Å; W218-S221 PolarHBondContact O-OG 3.49Å; W218-S221 VanDerWaalsContact O-OG 3.07Å; S221-L223 VanDerWaalsContact C-N 3.35Å; S221-I224 PolarHBondContact O-N 2.91Å; S221-I225 VanDerWaalsContact O-CG1 3.31Å; S221-I225 WeakPolarHBondContact O-CG1 3.33Å; S221-I225 PolarHBondContact O-N 3.49Å
222	T	82.4	Confident	76.9	Confident	49 Å²	49	89.5 Å²	89.5	30%	0.301	47%	0.467	S	S	.	.	H	α-helix	trans	-64.4	-38.7	174.7	45.9	0	0	0	0	112.1	W218 F219 I225 A226	W218-T222 HydrophobicContact CD2-CG2 4.02Å; W218-T222 HydrophobicContact CE3-CG2 4.5Å; W218-T222 HydrophobicContact CG-CG2 4.46Å; W218-T222 HydrophobicContact CH2-CG2 4.35Å; W218-T222 HydrophobicContact CZ2-CG2 3.84Å; W218-T222 WeakPolarHBondContact O-CB 3.28Å; W218-T222 WeakPolarHBondContact O-CG2 3.5Å; W218-T222 PolarHBondContact O-N 3.45Å; W218-T222 PolarHBondContact O-OG1 3.49Å; F219-T222 WeakPolarHBondContact CA-OG1 3.49Å; F219-T222 PolarHBondContact O-OG1 3.01Å; T222-I225 PolarHBondContact O-N 3.38Å; T222-A226 WeakPolarHBondContact O-CB 3.26Å; T222-A226 PolarHBondContact O-N 3.37Å
223	L	84.7	Confident	79.1	Confident	87 Å²	87	91.2 Å²	91.2	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-44.3	175.3	-176.5	64.2	0	0	0	111.9	F219 V220 S221 I225 A226 I227	F219-L223 VanDerWaalsContact O-CB 3.22Å; F219-L223 WeakPolarHBondContact O-CB 3.39Å; F219-L223 PolarHBondContact O-N 3.35Å; V220-L223 PolarHBondContact O-N 3.05Å; S221-L223 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.06Å; L223-A226 PolarHBondContact O-N 2.95Å; L223-I227 HydrophobicContact CD1-CD1 4.31Å; L223-I227 HydrophobicContact CG-CD1 4.08Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.41Å; L223-I227 PolarHBondContact O-N 3.04Å
224	I	82.7	Confident	80.7	Confident	86 Å²	86	93.5 Å²	93.5	44%	0.441	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-44.3	176.8	-68.9	166.1	0	0	0	111	L21 V220 S221 I227 F228	L21-I224 HydrophobicContact CD2-CD1 4.44Å; V220-I224 HydrophobicContact CG1-CD1 3.92Å; V220-I224 WeakPolarHBondContact O-CD1 3.34Å; V220-I224 VanDerWaalsContact O-CG1 3.25Å; V220-I224 WeakPolarHBondContact O-CG1 3.09Å; V220-I224 PolarHBondContact O-N 3.27Å; S221-I224 PolarHBondContact O-N 2.91Å; I224-I227 PolarHBondContact O-N 2.65Å; I224-F228 WeakPolarHBondContact O-CB 3.19Å; I224-F228 PolarHBondContact O-N 2.79Å
225	I	86.6	Confident	82.1	Confident	99 Å²	99	92.3 Å²	92.3	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-42.8	178.1	-66.5	165.9	0	0	0	111.1	S221 T222 L223 I227 F228 I229	S221-I225 VanDerWaalsContact O-CG1 3.31Å; S221-I225 WeakPolarHBondContact O-CG1 3.33Å; S221-I225 PolarHBondContact O-N 3.49Å; T222-I225 PolarHBondContact O-N 3.38Å; L223-I225 PolarHBondContact O-N 3.06Å; I225-I227 PolarHBondContact O-N 2.88Å; I225-F228 PolarHBondContact O-N 3.36Å; I225-I229 HydrophobicContact CG2-CD1 3.77Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 WeakPolarHBondContact O-CG1 3.37Å; I225-I229 PolarHBondContact O-N 2.84Å
226	A	84.9	Confident	83.4	Confident	49 Å²	49	91.1 Å²	91.1	41%	0.405	48%	0.477	S	S	.	.	H	α-helix	trans	-62.5	-43.1	178.7	0	0	0	0	0	112	T222 L223 T230	T222-A226 WeakPolarHBondContact O-CB 3.26Å; T222-A226 PolarHBondContact O-N 3.37Å; L223-A226 PolarHBondContact O-N 2.95Å; A226-T230 WeakPolarHBondContact O-CB 3.39Å; A226-T230 PolarHBondContact O-N 3.1Å; A226-T230 PolarHBondContact O-OG1 2.98Å
227	I	86.4	Confident	84.2	Confident	68 Å²	68	89.5 Å²	89.5	35%	0.349	47%	0.473	S	S	.	.	H	α-helix	trans	-60.6	-46.9	175.3	-68.1	166.7	0	0	0	109.9	F17 L223 I224 I225 I229 T230 T231	F17-I227 HydrophobicContact CE1-CG2 4.37Å; F17-I227 HydrophobicContact CZ-CG2 4.37Å; L223-I227 HydrophobicContact CD1-CD1 4.31Å; L223-I227 HydrophobicContact CG-CD1 4.08Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.41Å; L223-I227 PolarHBondContact O-N 3.04Å; I224-I227 PolarHBondContact O-N 2.65Å; I225-I227 PolarHBondContact O-N 2.88Å; I227-I229 PolarHBondContact O-N 3.15Å; I227-T230 PolarHBondContact O-N 3.07Å; I227-T231 PolarHBondContact O-N 2.79Å; I227-T231 PolarHBondContact O-OG1 3.25Å
228	F	85.8	Confident	85	Confident	143 Å²	143	87.4 Å²	87.4	63%	0.627	47%	0.467	S	S	*	.	H	α-helix	trans	-61.6	-44.7	-179.1	-174.3	-96	0	0	0	113.4	I224 I225 T231 S232	I224-F228 WeakPolarHBondContact O-CB 3.19Å; I224-F228 PolarHBondContact O-N 2.79Å; I225-F228 PolarHBondContact O-N 3.36Å; F228-T231 WeakPolarHBondContact CA-OG1 3.39Å; F228-T231 PolarHBondContact O-OG1 3.48Å; F228-S232 WeakPolarHBondContact O-CB 3.08Å; F228-S232 PolarHBondContact O-N 3.28Å; F228-S232 PolarHBondContact O-OG 2.87Å
229	I	89.7	Confident	85.6	Confident	91 Å²	91	83.5 Å²	83.5	47%	0.467	46%	0.459	S	S	.	.	H	α-helix	trans	-63.4	-45	176.7	-67.2	170.2	0	0	0	110.2	I225 I227 T231 S232 L233	I225-I229 HydrophobicContact CG2-CD1 3.77Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 WeakPolarHBondContact O-CG1 3.37Å; I225-I229 PolarHBondContact O-N 2.84Å; I227-I229 PolarHBondContact O-N 3.15Å; I229-T231 PolarHBondContact O-N 3.26Å; I229-S232 PolarHBondContact O-N 3.44Å; I229-L233 HydrophobicContact CG2-CD1 3.93Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 WeakPolarHBondContact O-CG 3.42Å; I229-L233 PolarHBondContact O-N 3.36Å
230	T	88.5	Confident	86.2	Confident	79 Å²	79	86.2 Å²	86.2	49%	0.485	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-44.2	-179.4	-52.3	0	0	0	0	111.3	A226 I227 S232 L233 M234	A226-T230 WeakPolarHBondContact O-CB 3.39Å; A226-T230 PolarHBondContact O-N 3.1Å; A226-T230 PolarHBondContact O-OG1 2.98Å; I227-T230 PolarHBondContact O-N 3.07Å; T230-S232 VanDerWaalsContact C-N 3.34Å; T230-S232 PolarHBondContact O-N 2.91Å; T230-L233 PolarHBondContact O-N 3.4Å; T230-M234 WeakPolarHBondContact O-CG 3.48Å; T230-M234 PolarHBondContact O-N 3.3Å
231	T	83.7	Confident	86.8	Confident	56 Å²	56	87.2 Å²	87.2	34%	0.344	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-39.1	175.3	46.2	0	0	0	0	112.2	I227 F228 I229 M234 V235	I227-T231 PolarHBondContact O-N 2.79Å; I227-T231 PolarHBondContact O-OG1 3.25Å; F228-T231 WeakPolarHBondContact CA-OG1 3.39Å; F228-T231 PolarHBondContact O-OG1 3.48Å; I229-T231 PolarHBondContact O-N 3.26Å; T231-M234 PolarHBondContact O-N 2.9Å; T231-V235 WeakPolarHBondContact O-CG2 3.34Å; T231-V235 PolarHBondContact O-N 3.08Å
232	S	88	Confident	87.3	Confident	48 Å²	48	89.7 Å²	89.7	34%	0.336	48%	0.48	S	S	.	.	H	α-helix	trans	-66.7	-41.7	178.9	-59	0	0	0	0	112	F228 I229 T230 V235 M236	F228-S232 WeakPolarHBondContact O-CB 3.08Å; F228-S232 PolarHBondContact O-N 3.28Å; F228-S232 PolarHBondContact O-OG 2.87Å; I229-S232 PolarHBondContact O-N 3.44Å; T230-S232 VanDerWaalsContact C-N 3.34Å; T230-S232 PolarHBondContact O-N 2.91Å; S232-V235 PolarHBondContact O-N 3Å; S232-M236 WeakPolarHBondContact O-CG 3.38Å; S232-M236 PolarHBondContact O-N 3Å
233	L	91.9	Very high	87.4	Confident	92 Å²	92	95.1 Å²	95.1	48%	0.482	50%	0.502	S	S	.	.	H	α-helix	trans	-62.7	-44	174.7	-74.5	168.4	0	0	0	111.7	I229 T230 V235 M236 V237	I229-L233 HydrophobicContact CG2-CD1 3.93Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 WeakPolarHBondContact O-CG 3.42Å; I229-L233 PolarHBondContact O-N 3.36Å; T230-L233 PolarHBondContact O-N 3.4Å; L233-V235 VanDerWaalsContact C-N 3.34Å; L233-V235 PolarHBondContact O-N 3.29Å; L233-M236 HydrophobicContact CD2-CE 3.62Å; L233-M236 PolarHBondContact O-N 3.44Å; L233-V237 WeakPolarHBondContact O-CG2 3.34Å; L233-V237 PolarHBondContact O-N 2.94Å
234	M	87.8	Confident	87.4	Confident	123 Å²	123	95.3 Å²	95.3	61%	0.606	51%	0.511	S	S	*	.	H	α-helix	trans	-60	-43.8	176.9	-76.1	-67.2	166.6	0	0	111.7	T230 T231 M236 V237 C238	T230-M234 WeakPolarHBondContact O-CG 3.48Å; T230-M234 PolarHBondContact O-N 3.3Å; T231-M234 PolarHBondContact O-N 2.9Å; M234-M236 PolarHBondContact O-N 3.43Å; M234-V237 PolarHBondContact O-N 3.38Å; M234-C238 WeakPolarHBondContact O-CB 3.42Å; M234-C238 PolarHBondContact O-N 2.93Å; M234-C238 PolarHBondContact O-SG 2.95Å
235	V	88.3	Confident	87.5	Confident	86 Å²	86	104.3 Å²	104.3	52%	0.521	54%	0.539	S	S	.	.	H	α-helix	trans	-62	-42.4	175.8	172.7	0	0	0	0	111.6	T231 S232 L233 C238 N239	T231-V235 WeakPolarHBondContact O-CG2 3.34Å; T231-V235 PolarHBondContact O-N 3.08Å; S232-V235 PolarHBondContact O-N 3Å; L233-V235 VanDerWaalsContact C-N 3.34Å; L233-V235 PolarHBondContact O-N 3.29Å; V235-C238 PolarHBondContact O-N 3.26Å; V235-N239 PolarHBondContact O-N 3.47Å
236	M	86.9	Confident	87.5	Confident	105 Å²	105	104.6 Å²	104.6	52%	0.517	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-40.7	176.5	-72.2	-165.1	-54.7	0	0	113	S232 L233 M234 N239 R240	S232-M236 WeakPolarHBondContact O-CG 3.38Å; S232-M236 PolarHBondContact O-N 3Å; L233-M236 HydrophobicContact CD2-CE 3.62Å; L233-M236 PolarHBondContact O-N 3.44Å; M234-M236 PolarHBondContact O-N 3.43Å; M236-N239 PolarHBondContact O-N 3.22Å; M236-R240 PolarHBondContact O-N 3.45Å
237	V	88.5	Confident	87.7	Confident	78 Å²	78	107.5 Å²	107.5	47%	0.473	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-44.8	176.6	172.6	0	0	0	0	110.3	L233 M234 N239 R240 I241	L233-V237 WeakPolarHBondContact O-CG2 3.34Å; L233-V237 PolarHBondContact O-N 2.94Å; M234-V237 PolarHBondContact O-N 3.38Å; V237-N239 VanDerWaalsContact C-N 3.34Å; V237-N239 PolarHBondContact O-N 3.05Å; V237-R240 PolarHBondContact O-N 3.4Å; V237-I241 HydrophobicContact CG1-CD1 3.86Å; V237-I241 HydrophobicContact CG1-CG1 4.48Å; V237-I241 WeakPolarHBondContact O-CG1 3.39Å; V237-I241 PolarHBondContact O-N 3.39Å
238	C	89.4	Confident	87.7	Confident	72 Å²	72	109.7 Å²	109.7	49%	0.486	56%	0.559	S	S	.	*	H	α-helix	trans	-58	-45.2	174.6	-70.7	0	0	0	0	111.8	M234 V235 R240 I241 V242	M234-C238 WeakPolarHBondContact O-CB 3.42Å; M234-C238 PolarHBondContact O-N 2.93Å; M234-C238 PolarHBondContact O-SG 2.95Å; V235-C238 PolarHBondContact O-N 3.26Å; C238-R240 PolarHBondContact O-N 3.31Å; C238-I241 PolarHBondContact O-N 3.03Å; C238-V242 WeakPolarHBondContact O-CG2 3.48Å; C238-V242 PolarHBondContact O-N 3.44Å
239	N	88.7	Confident	87.9	Confident	92 Å²	92	107.7 Å²	107.7	49%	0.492	56%	0.555	S	S	.	*	H	α-helix	trans	-61.1	-42.3	177.7	-76.1	-10.9	0	0	0	112.3	V235 M236 V237 V242 E243	V235-N239 PolarHBondContact O-N 3.47Å; M236-N239 PolarHBondContact O-N 3.22Å; V237-N239 VanDerWaalsContact C-N 3.34Å; V237-N239 PolarHBondContact O-N 3.05Å; N239-V242 PolarHBondContact O-N 2.93Å; N239-E243 PolarHBondContact O-N 3.02Å
240	R	89.7	Confident	87.7	Confident	188 Å²	188	108.8 Å²	108.8	71%	0.709	56%	0.561	S	S	*	*	H	α-helix	trans	-66.1	-37.6	177	-74.7	-173.4	178.6	179	0.5	113.2	M236 V237 C238 V242 E243 S244	M236-R240 PolarHBondContact O-N 3.45Å; V237-R240 PolarHBondContact O-N 3.4Å; C238-R240 PolarHBondContact O-N 3.31Å; R240-V242 VanDerWaalsContact C-N 3.33Å; R240-E243 PolarHBondContact O-N 3.05Å; R240-S244 PolarHBondContact O-N 3.39Å; R240-S244 VanDerWaalsContact O-N 3.1Å; R240-S244 PolarHBondContact O-OG 3.45Å
241	I	90.8	Very high	87.7	Confident	90 Å²	90	110.7 Å²	110.7	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-63.6	-44	175.3	-67.3	166.9	0	0	0	109.6	V237 C238 S244 W245	V237-I241 HydrophobicContact CG1-CD1 3.86Å; V237-I241 HydrophobicContact CG1-CG1 4.48Å; V237-I241 WeakPolarHBondContact O-CG1 3.39Å; V237-I241 PolarHBondContact O-N 3.39Å; C238-I241 PolarHBondContact O-N 3.03Å; I241-S244 PolarHBondContact O-N 2.7Å; I241-S244 PolarHBondContact O-OG 3.25Å; I241-W245 VanDerWaalsContact O-CD1 3.29Å; I241-W245 PolarHBondContact O-N 3.1Å
242	V	88.2	Confident	88	Confident	103 Å²	103	114.6 Å²	114.6	62%	0.624	58%	0.582	S	S	*	*	H	α-helix	trans	-64.9	-40	177.2	174.1	0	0	0	0	112.1	C238 N239 R240 S244 W245	C238-V242 WeakPolarHBondContact O-CG2 3.48Å; C238-V242 PolarHBondContact O-N 3.44Å; N239-V242 PolarHBondContact O-N 2.93Å; R240-V242 VanDerWaalsContact C-N 3.33Å; V242-S244 VanDerWaalsContact C-N 3.26Å; V242-S244 PolarHBondContact O-N 3.03Å; V242-W245 PolarHBondContact O-N 2.71Å
243	E	84.5	Confident	88	Confident	162 Å²	162	119.8 Å²	119.8	76%	0.757	60%	0.601	S	S	*	*	H	α-helix	trans	-67.1	-25.6	175.8	-79.1	178.4	172.8	0	0	113.4	N239 R240	N239-E243 PolarHBondContact O-N 3.02Å; R240-E243 PolarHBondContact O-N 3.05Å
244	S	84	Confident	87.6	Confident	91 Å²	91	122.1 Å²	122.1	64%	0.636	61%	0.61	S	S	*	*	H	α-helix	trans	-81.7	-14.2	178.1	70.2	0	0	0	0	114.5	R240 I241 V242	R240-S244 PolarHBondContact O-N 3.39Å; R240-S244 VanDerWaalsContact O-N 3.1Å; R240-S244 PolarHBondContact O-OG 3.45Å; I241-S244 PolarHBondContact O-N 2.7Å; I241-S244 PolarHBondContact O-OG 3.25Å; V242-S244 VanDerWaalsContact C-N 3.26Å; V242-S244 PolarHBondContact O-N 3.03Å
245	W	85.1	Confident	87.6	Confident	275 Å²	275	122 Å²	122	100%	1.042	61%	0.611	S	S	*	*			trans	-93.5	0	177.8	-85.3	49.7	0	0	0	111	I241 V242	I241-W245 VanDerWaalsContact O-CD1 3.29Å; I241-W245 PolarHBondContact O-N 3.1Å; V242-W245 PolarHBondContact O-N 2.71Å

Retrieved 245 of 245 residues in 59 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).