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Noggin

Inhibitor of bone morphogenetic proteins (BMP) signaling which is required for growth and patterning of the neural tube and somite. Essential for cartilage morphogenesis and joint formation. Inhibits chondrocyte differentiation through its interaction with GDF5 and, probably, GDF6^1,2.

AlphaFold DB , UniProt , Accession Q13253, Species HUMAN (Homo sapiens, Human), Gene NOG, Length 232 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	67.8	Low	238 Å²	238	125.5 Å²	125.5	100%	1.172	68%	0.675	S	S	*	*				0	88.5	0	-68.5	-179.3	-165.9	0	0	107.6	R3	M1-R3 PolarHBondContact O-N 3.25Å
2	E	55.3	Low	69.2	Low	201 Å²	201	130.3 Å²	130.3	94%	0.939	68%	0.679	S	S	*	*			trans	-71.1	109.4	178.6	-73.8	172.8	106.5	0	0	109.2	C4	E2-C4 PolarHBondContact O-N 3.23Å
3	R	60.8	Low	70.3	Confident	242 Å²	242	124.3 Å²	124.3	91%	0.913	66%	0.66	S	S	*	*			trans	-73.6	109.5	172.9	-76.9	178.9	175.4	174.6	-1.2	107.8	M1 P5	M1-R3 PolarHBondContact O-N 3.25Å; R3-P5 VanDerWaalsContact O-CD 3.24Å; R3-P5 WeakPolarHBondContact O-CD 3.24Å
4	C	62.4	Low	71.4	Confident	83 Å²	83	122.9 Å²	122.9	56%	0.561	65%	0.653	S	S	*	*			trans	-66.4	113.5	-179.7	-146.6	0	0	0	0	110.2	E2 S6	E2-C4 PolarHBondContact O-N 3.23Å; C4-S6 PolarHBondContact O-N 3.3Å; C4-S6 PolarHBondContact SG-OG 2.81Å
5	P	66.1	Low	72.2	Confident	112 Å²	112	121.3 Å²	121.3	73%	0.727	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-8.7	179.9	28.3	-33.5	0	0	0	113.2	R3 L7	R3-P5 VanDerWaalsContact O-CD 3.24Å; R3-P5 WeakPolarHBondContact O-CD 3.24Å; P5-L7 PolarHBondContact O-N 2.83Å
6	S	68.8	Low	72.9	Confident	63 Å²	63	118.8 Å²	118.8	44%	0.441	64%	0.639	S	S	.	*	H	α-helix	trans	-69.4	-28.3	-177.2	57.5	0	0	0	0	114	C4 G8 V9 T10	C4-S6 PolarHBondContact O-N 3.3Å; C4-S6 PolarHBondContact SG-OG 2.81Å; S6-G8 VanDerWaalsContact C-N 3.35Å; S6-G8 PolarHBondContact O-N 3.21Å; S6-V9 PolarHBondContact O-N 2.91Å; S6-T10 PolarHBondContact O-N 3.43Å; S6-T10 VanDerWaalsContact O-N 3.17Å; S6-T10 PolarHBondContact O-OG1 3.19Å
7	L	71.5	Confident	73.6	Confident	114 Å²	114	115.8 Å²	115.8	60%	0.597	63%	0.626	S	S	*	*	H	α-helix	trans	-66.2	-34.4	179.9	-90.6	149.2	0	0	0	113	P5 T10 L11	P5-L7 PolarHBondContact O-N 2.83Å; L7-T10 PolarHBondContact O-OG1 3.06Å; L7-T10 VanDerWaalsContact O-OG1 3.06Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 WeakPolarHBondContact O-CD1 3.47Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.16Å
8	G	74.1	Confident	74	Confident	42 Å²	42	115.8 Å²	115.8	43%	0.433	62%	0.624	S	S	.	*	H	α-helix	trans	-68.6	-40.3	178	0	0	0	0	0	112.2	S6 Y12	S6-G8 VanDerWaalsContact C-N 3.35Å; S6-G8 PolarHBondContact O-N 3.21Å; G8-Y12 PolarHBondContact O-N 3.46Å
9	V	78.6	Confident	74.1	Confident	104 Å²	104	112.3 Å²	112.3	63%	0.63	62%	0.619	S	S	*	*	H	α-helix	trans	-70.1	-40.8	-178.8	-176.6	0	0	0	0	111.1	S6 Y12 A13	S6-V9 PolarHBondContact O-N 2.91Å; V9-Y12 PolarHBondContact O-N 3.15Å; V9-A13 WeakPolarHBondContact O-CB 3.37Å; V9-A13 PolarHBondContact O-N 3.26Å
10	T	79.9	Confident	74.2	Confident	76 Å²	76	113.9 Å²	113.9	47%	0.466	63%	0.625	S	S	.	*	H	α-helix	trans	-67.4	-39.2	177.7	50.4	0	0	0	0	112.4	S6 L7 A13 L14	S6-T10 PolarHBondContact O-N 3.43Å; S6-T10 VanDerWaalsContact O-N 3.17Å; S6-T10 PolarHBondContact O-OG1 3.19Å; L7-T10 PolarHBondContact O-OG1 3.06Å; L7-T10 VanDerWaalsContact O-OG1 3.06Å; T10-A13 PolarHBondContact O-N 3.45Å; T10-L14 WeakPolarHBondContact O-CB 3.26Å; T10-L14 PolarHBondContact O-N 3.49Å
11	L	82.5	Confident	74.1	Confident	105 Å²	105	117.9 Å²	117.9	55%	0.55	63%	0.631	S	S	.	*	H	α-helix	trans	-63.1	-45.1	173.4	-81.7	164.5	0	0	0	111.8	L7 A13 L14 V15	L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 WeakPolarHBondContact O-CD1 3.47Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.16Å; L11-A13 PolarHBondContact O-N 3.41Å; L11-L14 PolarHBondContact O-N 3.46Å; L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 2.81Å
12	Y	84.7	Confident	74.8	Confident	183 Å²	183	109.9 Å²	109.9	72%	0.718	60%	0.603	S	S	*	*	H	α-helix	trans	-61.3	-44.3	176.2	-111.7	-85.5	0	0	0	112.1	G8 V9 L14 V15 V16	G8-Y12 PolarHBondContact O-N 3.46Å; V9-Y12 PolarHBondContact O-N 3.15Å; Y12-L14 PolarHBondContact O-N 3.2Å; Y12-V15 PolarHBondContact O-N 2.68Å; Y12-V16 WeakPolarHBondContact O-CG2 3.41Å; Y12-V16 PolarHBondContact O-N 2.68Å
13	A	84.5	Confident	75	Confident	53 Å²	53	105.8 Å²	105.8	44%	0.438	59%	0.592	S	S	.	*	H	α-helix	trans	-61.9	-42.3	177.2	0	0	0	0	0	111.9	V9 T10 L11 V16 V17	V9-A13 WeakPolarHBondContact O-CB 3.37Å; V9-A13 PolarHBondContact O-N 3.26Å; T10-A13 PolarHBondContact O-N 3.45Å; L11-A13 PolarHBondContact O-N 3.41Å; A13-V16 PolarHBondContact O-N 3Å; A13-V17 WeakPolarHBondContact O-CB 3.49Å; A13-V17 VanDerWaalsContact O-CG2 3.24Å; A13-V17 WeakPolarHBondContact O-CG2 3.44Å; A13-V17 PolarHBondContact O-N 3.29Å
14	L	85.6	Confident	74.9	Confident	105 Å²	105	100.2 Å²	100.2	55%	0.55	59%	0.587	S	S	.	*	H	α-helix	trans	-61.7	-43.2	175.3	-85.6	164.6	0	0	0	112.2	T10 L11 Y12 V17 L18	T10-L14 WeakPolarHBondContact O-CB 3.26Å; T10-L14 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 3.46Å; Y12-L14 PolarHBondContact O-N 3.2Å; L14-V17 PolarHBondContact O-N 2.76Å; L14-L18 WeakPolarHBondContact O-CB 3.32Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.31Å
15	V	83.6	Confident	74.6	Confident	98 Å²	98	100.7 Å²	100.7	59%	0.594	60%	0.597	S	S	*	*	H	α-helix	trans	-64.4	-42.2	177.6	173.1	0	0	0	0	111.3	L11 Y12 L18 G19	L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 2.81Å; Y12-V15 PolarHBondContact O-N 2.68Å; V15-L18 PolarHBondContact O-N 3.36Å; V15-G19 PolarHBondContact O-N 3.05Å
16	V	83.3	Confident	74.3	Confident	81 Å²	81	98.8 Å²	98.8	49%	0.491	60%	0.597	S	S	.	*	H	α-helix	trans	-64.4	-43	176.2	173.3	0	0	0	0	111	Y12 A13 L18 G19 L20	Y12-V16 WeakPolarHBondContact O-CG2 3.41Å; Y12-V16 PolarHBondContact O-N 2.68Å; A13-V16 PolarHBondContact O-N 3Å; V16-L18 PolarHBondContact O-N 2.96Å; V16-G19 PolarHBondContact O-N 3.4Å; V16-L20 HydrophobicContact CG1-CD1 3.88Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 WeakPolarHBondContact O-CB 3.29Å; V16-L20 VanDerWaalsContact O-CG 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.47Å; V16-L20 PolarHBondContact O-N 3.44Å
17	V	83.7	Confident	73.9	Confident	69 Å²	69	99.2 Å²	99.2	42%	0.418	61%	0.612	S	S	.	*	H	α-helix	trans	-65.1	-39.5	177.1	171.3	0	0	0	0	111.5	A13 L14 R21	A13-V17 WeakPolarHBondContact O-CB 3.49Å; A13-V17 VanDerWaalsContact O-CG2 3.24Å; A13-V17 WeakPolarHBondContact O-CG2 3.44Å; A13-V17 PolarHBondContact O-N 3.29Å; L14-V17 PolarHBondContact O-N 2.76Å; V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 WeakPolarHBondContact O-CG 3.34Å; V17-R21 PolarHBondContact O-N 3.48Å
18	L	81.5	Confident	74.1	Confident	115 Å²	115	102.4 Å²	102.4	60%	0.602	62%	0.624	S	S	*	*	H	α-helix	trans	-67	-41	174.9	-73.7	168.9	0	0	0	111.7	L14 V15 V16 R21 A22	L14-L18 WeakPolarHBondContact O-CB 3.32Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.31Å; V15-L18 PolarHBondContact O-N 3.36Å; V16-L18 PolarHBondContact O-N 2.96Å; L18-R21 CarbonylContact O-C 3.51Å; L18-R21 PolarHBondContact O-N 3.47Å; L18-A22 PolarHBondContact O-N 3.17Å
19	G	75.2	Confident	74.3	Confident	50 Å²	50	108 Å²	108	52%	0.515	64%	0.638	S	S	.	*	H	α-helix	trans	-64.6	-37.8	175.9	0	0	0	0	0	113	V15 V16 R21 A22	V15-G19 PolarHBondContact O-N 3.05Å; V16-G19 PolarHBondContact O-N 3.4Å; G19-R21 VanDerWaalsContact C-N 3.32Å; G19-A22 PolarHBondContact O-N 3.13Å
20	L	76.9	Confident	74.5	Confident	143 Å²	143	113.2 Å²	113.2	75%	0.749	65%	0.648	S	S	*	*	H	α-helix	trans	-72.8	-24	174.6	-70.3	169.5	0	0	0	113	V16	V16-L20 HydrophobicContact CG1-CD1 3.88Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 WeakPolarHBondContact O-CB 3.29Å; V16-L20 VanDerWaalsContact O-CG 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.47Å; V16-L20 PolarHBondContact O-N 3.44Å
21	R	71	Confident	74.8	Confident	198 Å²	198	115.1 Å²	115.1	75%	0.747	66%	0.655	S	S	*	*	H	α-helix	trans	-90.9	-11.1	174.7	-74.1	-169.6	179.9	-172.9	2.2	113.9	V17 L18 G19 T23	V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 WeakPolarHBondContact O-CG 3.34Å; V17-R21 PolarHBondContact O-N 3.48Å; L18-R21 CarbonylContact O-C 3.51Å; L18-R21 PolarHBondContact O-N 3.47Å; G19-R21 VanDerWaalsContact C-N 3.32Å; R21-T23 PolarHBondContact O-N 2.94Å
22	A	60.5	Low	74.9	Confident	70 Å²	70	117.2 Å²	117.2	58%	0.579	66%	0.661	S	S	*	*			trans	-68.3	85.5	168.6	0	0	0	0	0	107.5	L18 G19	L18-A22 PolarHBondContact O-N 3.17Å; G19-A22 PolarHBondContact O-N 3.13Å
23	T	60.6	Low	75.3	Confident	115 Å²	115	115.4 Å²	115.4	71%	0.706	66%	0.663	S	S	*	*			trans	-55	138.8	162.1	48.9	0	0	0	0	107	R21 A25	R21-T23 PolarHBondContact O-N 2.94Å; T23-A25 VanDerWaalsContact C-N 3.32Å; T23-A25 PolarHBondContact O-N 3.16Å
24	P	57.3	Low	75.6	Confident	125 Å²	125	123.1 Å²	123.1	81%	0.812	68%	0.681	S	S	*	*			trans	-58.9	104.1	172	23.4	-30.2	0	0	0	106.8	G26	P24-G26 PolarHBondContact O-N 2.9Å
25	A	56.6	Low	76	Confident	94 Å²	94	124.1 Å²	124.1	78%	0.777	69%	0.693	S	S	*	*			trans	-59.9	107.4	166.3	0	0	0	0	0	104.9	T23 G27	T23-A25 VanDerWaalsContact C-N 3.32Å; T23-A25 PolarHBondContact O-N 3.16Å; A25-G27 PolarHBondContact O-N 2.99Å
26	G	59.8	Low	76.3	Confident	71 Å²	71	123.5 Å²	123.5	73%	0.732	70%	0.698	S	S	*	*			trans	-56.7	103.8	176.1	0	0	0	0	0	107.9	P24 Q28	P24-G26 PolarHBondContact O-N 2.9Å; G26-Q28 PolarHBondContact O-N 3.06Å; G26-Q28 VanDerWaalsContact O-N 3.13Å
27	G	61	Low	76.7	Confident	72 Å²	72	125.4 Å²	125.4	74%	0.742	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62	117	179.7	0	0	0	0	0	108.7	A25	A25-G27 PolarHBondContact O-N 2.99Å
28	Q	75.1	Confident	77.1	Confident	182 Å²	182	125.8 Å²	125.8	85%	0.85	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-61.7	143.1	169.7	-70.2	-178	-23.2	0	0	109	G26 Y30	G26-Q28 PolarHBondContact O-N 3.06Å; G26-Q28 VanDerWaalsContact O-N 3.13Å; Q28-Y30 PolarHBondContact O-N 3.15Å
29	H	77.8	Confident	77.5	Confident	160 Å²	160	127.8 Å²	127.8	74%	0.741	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-60.8	126	-179.3	-75	-85.6	0	0	0	110.5	H32	H29-H32 PolarHBondContact O-CE1 3.23Å
30	Y	83.8	Confident	78.2	Confident	213 Å²	213	131.5 Å²	131.5	84%	0.835	74%	0.738	S	S	*	*	S	Bend	trans	-64	-44.8	173.9	-179.9	-102.8	0	0	0	111.4	Q28 H32	Q28-Y30 PolarHBondContact O-N 3.15Å; Y30-H32 PolarHBondContact O-ND1 3.05Å
31	L	84.8	Confident	78.9	Confident	116 Å²	116	126.2 Å²	126.2	61%	0.607	71%	0.71	S	S	*	*	S	Bend	trans	-91.6	109.6	177.3	-63.2	176.7	0	0	0	110.6	I33	L31-I33 HydrophobicContact CB-CD1 4.14Å; L31-I33 HydrophobicContact CB-CG1 4.1Å; L31-I33 HydrophobicContact CD1-CD1 4.4Å; L31-I33 PolarHBondContact O-N 3.41Å
32	H	86.5	Confident	79.8	Confident	148 Å²	148	121.2 Å²	121.2	69%	0.685	70%	0.703	S	S	*	*			trans	-82.8	54.1	-179.8	-67.1	74.9	0	0	0	112.2	H29 Y30 R34	H29-H32 PolarHBondContact O-CE1 3.23Å; Y30-H32 PolarHBondContact O-ND1 3.05Å; H32-R34 VanDerWaalsContact C-N 3.27Å; H32-R34 PolarHBondContact O-N 3.36Å
33	I	92.1	Very high	81.1	Confident	145 Å²	145	121.8 Å²	121.8	74%	0.744	70%	0.696	S	S	*	*	S	Bend	trans	-75.1	-20.5	-179.6	-56.9	172.8	0	0	0	111.5	L31	L31-I33 HydrophobicContact CB-CD1 4.14Å; L31-I33 HydrophobicContact CB-CG1 4.1Å; L31-I33 HydrophobicContact CD1-CD1 4.4Å; L31-I33 PolarHBondContact O-N 3.41Å
34	R	91.8	Very high	82.4	Confident	216 Å²	216	122.7 Å²	122.7	82%	0.815	70%	0.701	S	S	*	*	S	Bend	trans	-123.3	148.6	175.5	-65.9	-178.1	-177.5	179.9	1.7	109.3	H32	H32-R34 VanDerWaalsContact C-N 3.27Å; H32-R34 PolarHBondContact O-N 3.36Å
35	P	92.6	Very high	83.7	Confident	125 Å²	125	121.1 Å²	121.1	81%	0.812	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-61.1	141.6	170.6	27.6	-34.2	0	0	0	110
36	A	90.2	Very high	85.3	Confident	85 Å²	85	122.1 Å²	122.1	70%	0.702	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-76.9	139.4	170.4	0	0	0	0	0	109.6
37	P	91.9	Very high	86.8	Confident	122 Å²	122	127 Å²	127	79%	0.792	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-67.6	155.1	172.1	30.6	-34.3	0	0	0	110.6
38	S	91.6	Very high	88.2	Confident	77 Å²	77	126.7 Å²	126.7	54%	0.538	66%	0.664	S	S	.	*			trans	-109.1	143.2	172.7	177.9	0	0	0	0	110	N40	S38-N40 VanDerWaalsContact C-N 3.27Å; S38-N40 WeakPolarHBondContact OG-CB 3.36Å; S38-N40 PolarHBondContact OG-N 2.89Å; S38-N40 PolarHBondContact OG-ND2 2.87Å; S38-N40 VanDerWaalsContact OG-ND2 3.14Å
39	D	90.2	Very high	88.9	Confident	156 Å²	156	123.2 Å²	123.2	83%	0.834	65%	0.648	S	S	*	*			trans	-89.8	9	174.5	-60.3	-40.9	0	0	0	112.6
40	N	90.8	Very high	89.6	Confident	129 Å²	129	121.2 Å²	121.2	69%	0.69	65%	0.649	S	S	*	*			trans	-66.1	134.2	179	-69.9	-23.2	0	0	0	111.4	S38	S38-N40 VanDerWaalsContact C-N 3.27Å; S38-N40 WeakPolarHBondContact OG-CB 3.36Å; S38-N40 PolarHBondContact OG-N 2.89Å; S38-N40 PolarHBondContact OG-ND2 2.87Å; S38-N40 VanDerWaalsContact OG-ND2 3.14Å
41	L	91.2	Very high	90	Very high	31 Å²	31	113.9 Å²	113.9	16%	0.162	62%	0.624	C	S	.	*	S	Bend	trans	-120.7	157.8	176.2	-70	175.4	0	0	0	110.3	L43 P194 S197 P223 I225	L41-L43 HydrophobicContact CD2-CD2 3.97Å; L41-L43 HydrophobicContact CD2-CG 3.72Å; L41-P194 HydrophobicContact CB-CB 4.16Å; L41-P194 HydrophobicContact CB-CG 4.18Å; L41-S197 VanDerWaalsContact CD1-CB 3.4Å; L41-P223 HydrophobicContact CD2-CB 4.19Å; L41-P223 HydrophobicContact CD2-CG 4.12Å; L41-I225 HydrophobicContact CB-CD1 4.31Å; L41-I225 HydrophobicContact CB-CG1 4.02Å; L41-I225 HydrophobicContact CD1-CG1 3.94Å
42	P	88.6	Confident	90.4	Very high	94 Å²	94	112.7 Å²	112.7	61%	0.61	62%	0.624	S	S	*	*	S	Bend	cis	-73.7	156.3	0.2	31.9	-36	0	0	0	113.2	I225	P42-I225 HydrophobicContact CB-CD1 4.17Å
43	L	88.2	Confident	90.7	Very high	82 Å²	82	109.5 Å²	109.5	43%	0.429	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-75.1	145.2	171	-64.9	-173.3	0	0	0	110.5	L41 P223	L41-L43 HydrophobicContact CD2-CD2 3.97Å; L41-L43 HydrophobicContact CD2-CG 3.72Å; L43-P223 HydrophobicContact CD1-CG 3.41Å; L43-P223 VanDerWaalsContact CD1-CG 3.41Å; L43-P223 HydrophobicContact CG-CG 4.03Å
44	V	88.3	Confident	90.8	Very high	134 Å²	134	105.1 Å²	105.1	81%	0.812	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-83.4	139.8	163.5	-176.7	0	0	0	0	107.8
45	D	84.5	Confident	91	Very high	92 Å²	92	97.1 Å²	97.1	49%	0.492	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-55.8	144.4	176	-64.9	-46	0	0	0	110.9	I47 N162	D45-I47 PolarHBondContact O-N 3.06Å; D45-N162 PolarHBondContact OD1-ND2 2.94Å; D45-N162 VanDerWaalsContact OD1-ND2 3.1Å
46	L	89.9	Confident	91.1	Very high	115 Å²	115	91.9 Å²	91.9	60%	0.602	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-64	131	-179.9	-67.7	174.4	0	0	0	110.2	E48 F168	L46-E48 PolarHBondContact O-N 3.08Å; L46-F168 HydrophobicContact CD1-CE2 4.23Å; L46-F168 HydrophobicContact CD1-CZ 3.75Å
47	I	90.9	Very high	91.3	Very high	174 Å²	174	94.6 Å²	94.6	89%	0.892	52%	0.522	S	S	*	.			trans	-75.1	96.7	169.1	-60.5	165	0	0	0	107.7	D45	D45-I47 PolarHBondContact O-N 3.06Å
48	E	90.7	Very high	91.5	Very high	65 Å²	65	97.3 Å²	97.3	30%	0.304	52%	0.524	S	S	.	.			trans	-80.7	143.4	179.3	-70.8	-62.6	155.7	0	0	112.1	L46 R167 R204	L46-E48 PolarHBondContact O-N 3.08Å; E48-R167 VanDerWaalsContact OE2-CD 3.27Å; E48-R167 WeakPolarHBondContact OE2-CD 3.27Å; E48-R167 IonicContact OE2-CZ 3.23Å; E48-R167 IonicContact OE2-NE 2.76Å; E48-R167 IonicContact OE2-NH1 2.68Å; E48-R167 PolarHBondContact OE2-NH1 2.97Å; E48-R204 IonicContact OE1-CZ 3.93Å; E48-R204 IonicContact OE1-NH1 2.99Å; E48-R204 PolarHBondContact OE1-NH1 2.91Å; E48-R204 IonicContact OE1-NH2 3.6Å; E48-R204 PolarHBondContact OE1-NH2 3.28Å; E48-R204 IonicContact OE2-CZ 2.76Å; E48-R204 IonicContact OE2-NH1 3.57Å; E48-R204 IonicContact OE2-NH2 2.81Å; E48-R204 PolarHBondContact OE2-NH2 3.11Å
49	H	90.3	Very high	91.6	Very high	108 Å²	108	101.3 Å²	101.3	50%	0.5	53%	0.532	S	S	.	.			trans	-64.3	129.7	170.5	-166.1	-70.6	0	0	0	109.6	D51 F54 R167	H49-D51 VanDerWaalsContact CE1-CB 3.46Å; H49-D51 WeakPolarHBondContact CE1-CB 3.45Å; H49-D51 WeakPolarHBondContact ND1-CB 3.24Å; H49-D51 PolarHBondContact ND1-N 2.77Å; H49-D51 PolarHBondContact O-N 3.13Å; H49-D51 VanDerWaalsContact O-N 3.09Å; H49-F54 HydrophobicContact CB-CD2 4.13Å; H49-F54 HydrophobicContact CB-CE2 4.21Å; H49-F54 AromaticContact CG-CE2 3.84Å; H49-F54 AromaticContact ND1-CD2 3.99Å; H49-F54 AromaticContact ND1-CE2 3.7Å; H49-R167 VanDerWaalsContact O-CZ 3.3Å; H49-R167 PolarHBondContact O-NH1 3.26Å; H49-R167 PolarHBondContact O-NH2 3.14Å
50	P	92.9	Very high	91.8	Very high	118 Å²	118	96.2 Å²	96.2	77%	0.766	50%	0.504	S	S	*	.			trans	-76.1	3.6	-172.2	31.7	-38.6	0	0	0	114.7	P52	P50-P52 WeakPolarHBondContact O-CD 3.4Å
51	D	93.1	Very high	92	Very high	59 Å²	59	93.7 Å²	93.7	32%	0.316	49%	0.49	S	S	.	.			trans	-82.6	121.2	-173	-175.2	-14.7	0	0	0	109.7	H49 I53 F54 R167	H49-D51 VanDerWaalsContact CE1-CB 3.46Å; H49-D51 WeakPolarHBondContact CE1-CB 3.45Å; H49-D51 WeakPolarHBondContact ND1-CB 3.24Å; H49-D51 PolarHBondContact ND1-N 2.77Å; H49-D51 PolarHBondContact O-N 3.13Å; H49-D51 VanDerWaalsContact O-N 3.09Å; D51-I53 HydrophobicContact CB-CG1 4.27Å; D51-I53 PolarHBondContact O-N 3.43Å; D51-I53 WeakPolarHBondContact OD1-CG1 3.45Å; D51-I53 WeakPolarHBondContact OD1-CG2 3.47Å; D51-I53 PolarHBondContact OD1-N 3.32Å; D51-I53 VanDerWaalsContact OD1-N 3.13Å; D51-I53 VanDerWaalsContact OD2-CD1 3.26Å; D51-I53 WeakPolarHBondContact OD2-CD1 3.33Å; D51-F54 HydrophobicContact CB-CD2 3.9Å; D51-F54 HydrophobicContact CB-CE2 3.96Å; D51-F54 WeakPolarHBondContact O-CD2 3.32Å; D51-F54 PolarHBondContact O-N 2.89Å; D51-F54 VanDerWaalsContact O-N 3.16Å; D51-R167 PolarHBondContact O-NH2 2.81Å
52	P	93	Very high	92.2	Very high	92 Å²	92	96 Å²	96	60%	0.597	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-61.2	-16.3	-177.1	-24.6	34.9	0	0	0	114.8	P50 F54 D55	P50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-F54 PolarHBondContact O-N 2.84Å; P52-F54 VanDerWaalsContact O-N 3.12Å; P52-D55 WeakPolarHBondContact O-CB 3.43Å; P52-D55 PolarHBondContact O-N 2.86Å
53	I	92.5	Very high	92.5	Very high	81 Å²	81	95.4 Å²	95.4	42%	0.415	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-60.1	-22.6	175.6	69.8	-177.6	0	0	0	112.8	D51	D51-I53 HydrophobicContact CB-CG1 4.27Å; D51-I53 PolarHBondContact O-N 3.43Å; D51-I53 WeakPolarHBondContact OD1-CG1 3.45Å; D51-I53 WeakPolarHBondContact OD1-CG2 3.47Å; D51-I53 PolarHBondContact OD1-N 3.32Å; D51-I53 VanDerWaalsContact OD1-N 3.13Å; D51-I53 VanDerWaalsContact OD2-CD1 3.26Å; D51-I53 WeakPolarHBondContact OD2-CD1 3.33Å
54	F	93.6	Very high	92.9	Very high	53 Å²	53	96.7 Å²	96.7	23%	0.232	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-89.6	-2.1	178.6	-60.7	-67.2	0	0	0	112.9	H49 D51 P52 R167	H49-F54 HydrophobicContact CB-CD2 4.13Å; H49-F54 HydrophobicContact CB-CE2 4.21Å; H49-F54 AromaticContact CG-CE2 3.84Å; H49-F54 AromaticContact ND1-CD2 3.99Å; H49-F54 AromaticContact ND1-CE2 3.7Å; D51-F54 HydrophobicContact CB-CD2 3.9Å; D51-F54 HydrophobicContact CB-CE2 3.96Å; D51-F54 WeakPolarHBondContact O-CD2 3.32Å; D51-F54 PolarHBondContact O-N 2.89Å; D51-F54 VanDerWaalsContact O-N 3.16Å; P52-F54 PolarHBondContact O-N 2.84Å; P52-F54 VanDerWaalsContact O-N 3.12Å; F54-R167 PolarHBondContact O-NE 3.21Å
55	D	95.3	Very high	93.2	Very high	48 Å²	48	95.6 Å²	95.6	26%	0.257	49%	0.492	S	S	.	.	S	Bend	trans	-91.3	147.2	-179.8	-62.3	-20.9	0	0	0	111	P52 R167	P52-D55 WeakPolarHBondContact O-CB 3.43Å; P52-D55 PolarHBondContact O-N 2.86Å; D55-R167 IonicContact OD1-CZ 3.38Å; D55-R167 VanDerWaalsContact OD1-CZ 3.23Å; D55-R167 IonicContact OD1-NE 3.4Å; D55-R167 PolarHBondContact OD1-NE 3.2Å; D55-R167 IonicContact OD1-NH2 2.68Å; D55-R167 PolarHBondContact OD1-NH2 3.47Å
56	P	96.2	Very high	93.8	Very high	15 Å²	15	91.5 Å²	91.5	10%	0.097	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-65.8	144.7	173.1	27.4	-32.3	0	0	0	110.4	D60 L61 S166 W205 W217	P56-D60 HydrophobicContact CB-CB 4.19Å; P56-L61 HydrophobicContact CB-CD2 4.28Å; P56-L61 HydrophobicContact CB-CG 4.35Å; P56-L61 HydrophobicContact CG-CD2 4.06Å; P56-L61 HydrophobicContact CG-CG 4.46Å; P56-S166 VanDerWaalsContact CG-O 3.23Å; P56-S166 WeakPolarHBondContact CG-O 3.39Å; P56-W205 HydrophobicContact CB-CD2 3.84Å; P56-W205 HydrophobicContact CB-CE3 4.27Å; P56-W205 HydrophobicContact CB-CG 4.07Å; P56-W205 HydrophobicContact CB-CZ2 4.22Å; P56-W205 HydrophobicContact CG-CG 4.26Å; P56-W217 HydrophobicContact CB-CZ2 3.9Å; P56-W217 HydrophobicContact CG-CH2 4.14Å; P56-W217 HydrophobicContact CG-CZ2 3.85Å
57	K	94.7	Very high	94.2	Very high	141 Å²	141	90.1 Å²	90.1	61%	0.613	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-87.3	166.5	174.8	-61.7	177.7	-179.2	-176.9	0	109.7	K59 D60	K57-K59 HydrophobicContact CB-CG 4.17Å; K57-K59 PolarHBondContact O-N 2.98Å; K57-D60 PolarHBondContact N-OD2 3.38Å; K57-D60 WeakPolarHBondContact O-CA 3.48Å; K57-D60 WeakPolarHBondContact O-CB 3.08Å; K57-D60 PolarHBondContact O-N 3.5Å
58	E	94.4	Very high	94.4	Very high	179 Å²	179	85.8 Å²	85.8	84%	0.836	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-53	-40.6	179.6	-172.3	177.3	-176	0	0	113.3	D60 L61	E58-D60 PolarHBondContact O-N 3.37Å; E58-D60 VanDerWaalsContact O-N 3.16Å; E58-L61 PolarHBondContact O-N 3.05Å
59	K	94.4	Very high	94.7	Very high	162 Å²	162	87.1 Å²	87.1	70%	0.704	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-60.6	-24.2	175.7	66.4	176.2	-172.9	171.2	0	114.3	K57	K57-K59 HydrophobicContact CB-CG 4.17Å; K57-K59 PolarHBondContact O-N 2.98Å
60	D	94.4	Very high	95	Very high	49 Å²	49	82.1 Å²	82.1	26%	0.262	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-92.2	-0.9	-178.6	-53.9	-57.3	0	0	0	111.7	P56 K57 E58 W205 W217	P56-D60 HydrophobicContact CB-CB 4.19Å; K57-D60 PolarHBondContact N-OD2 3.38Å; K57-D60 WeakPolarHBondContact O-CA 3.48Å; K57-D60 WeakPolarHBondContact O-CB 3.08Å; K57-D60 PolarHBondContact O-N 3.5Å; E58-D60 PolarHBondContact O-N 3.37Å; E58-D60 VanDerWaalsContact O-N 3.16Å; D60-W205 HydrophobicContact CB-CH2 3.75Å; D60-W205 HydrophobicContact CB-CZ2 4.39Å; D60-W205 HydrophobicContact CB-CZ3 4.07Å; D60-W217 PolarHBondContact O-NE1 2.92Å
61	L	95.1	Very high	95.1	Very high	75 Å²	75	78.4 Å²	78.4	39%	0.393	41%	0.411	S	S	.	.			trans	-109.5	30.4	-174.6	-68.8	171	0	0	0	113.5	P56 E58 E63 W217	P56-L61 HydrophobicContact CB-CD2 4.28Å; P56-L61 HydrophobicContact CB-CG 4.35Å; P56-L61 HydrophobicContact CG-CD2 4.06Å; P56-L61 HydrophobicContact CG-CG 4.46Å; E58-L61 PolarHBondContact O-N 3.05Å; L61-E63 PolarHBondContact O-N 3.29Å; L61-E63 VanDerWaalsContact O-N 3.11Å; L61-W217 HydrophobicContact CD2-CH2 4.46Å; L61-W217 HydrophobicContact CD2-CZ2 3.76Å
62	N	95.5	Very high	95.2	Very high	79 Å²	79	79.8 Å²	79.8	42%	0.422	44%	0.439	S	S	.	.			trans	-71.3	105.3	176.3	-176	-36.5	0	0	0	111.1	T64 L65 L66	N62-T64 VanDerWaalsContact C-N 3.28Å; N62-T64 PolarHBondContact O-N 2.91Å; N62-T64 WeakPolarHBondContact OD1-CB 3.35Å; N62-T64 PolarHBondContact OD1-N 2.64Å; N62-T64 VanDerWaalsContact OD1-N 3.1Å; N62-L65 HydrophobicContact CB-CB 4.27Å; N62-L65 HydrophobicContact CB-CD1 4.05Å; N62-L65 HydrophobicContact CB-CG 4.24Å; N62-L65 PolarHBondContact O-N 3.31Å; N62-L65 VanDerWaalsContact O-N 3.12Å; N62-L65 PolarHBondContact OD1-N 2.97Å; N62-L66 WeakPolarHBondContact O-CG 3.37Å; N62-L66 PolarHBondContact O-N 3.22Å
63	E	94.9	Very high	95.4	Very high	83 Å²	83	80.8 Å²	80.8	39%	0.388	44%	0.435	S	S	.	.	H	α-helix	trans	-53.8	-39.8	-176.9	-76.2	-154.1	-167.5	0	0	113.9	L61 L65 L66 R67 T81	L61-E63 PolarHBondContact O-N 3.29Å; L61-E63 VanDerWaalsContact O-N 3.11Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 3.36Å; E63-L66 PolarHBondContact O-N 3.38Å; E63-R67 VanDerWaalsContact O-CB 3.29Å; E63-R67 WeakPolarHBondContact O-CB 2.99Å; E63-R67 VanDerWaalsContact O-CG 3.25Å; E63-R67 WeakPolarHBondContact O-CG 3.33Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE2-CZ 3.62Å; E63-R67 IonicContact OE2-NE 3.36Å; E63-R67 PolarHBondContact OE2-NE 3.4Å; E63-R67 IonicContact OE2-NH2 2.96Å; E63-R67 PolarHBondContact OE2-NH2 2.73Å; E63-T81 PolarHBondContact OE1-OG1 2.96Å
64	T	95.6	Very high	95.6	Very high	109 Å²	109	79.6 Å²	79.6	67%	0.669	43%	0.426	S	S	*	.	H	α-helix	trans	-63	-44	-178.8	-54.9	0	0	0	0	110.9	N62 S68	N62-T64 VanDerWaalsContact C-N 3.28Å; N62-T64 PolarHBondContact O-N 2.91Å; N62-T64 WeakPolarHBondContact OD1-CB 3.35Å; N62-T64 PolarHBondContact OD1-N 2.64Å; N62-T64 VanDerWaalsContact OD1-N 3.1Å; T64-S68 WeakPolarHBondContact O-CB 3.23Å; T64-S68 PolarHBondContact O-N 2.92Å
65	L	96.1	Very high	95.7	Very high	110 Å²	110	80.1 Å²	80.1	58%	0.576	43%	0.431	S	S	*	.	H	α-helix	trans	-66.8	-43.1	176.9	-67.4	178.9	0	0	0	111.1	N62 E63 S68 L69	N62-L65 HydrophobicContact CB-CB 4.27Å; N62-L65 HydrophobicContact CB-CD1 4.05Å; N62-L65 HydrophobicContact CB-CG 4.24Å; N62-L65 PolarHBondContact O-N 3.31Å; N62-L65 VanDerWaalsContact O-N 3.12Å; N62-L65 PolarHBondContact OD1-N 2.97Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 3.36Å; L65-S68 PolarHBondContact O-N 2.85Å; L65-S68 PolarHBondContact O-OG 3.05Å; L65-L69 WeakPolarHBondContact O-CB 3.39Å; L65-L69 PolarHBondContact O-N 3.06Å
66	L	97.3	Very high	95.6	Very high	6 Å²	6	82.5 Å²	82.5	3%	0.031	45%	0.449	C	S	.	.	H	α-helix	trans	-68.6	-39.3	-179.2	-61.6	177.1	0	0	0	112.5	N62 E63 S68 L69 L70 W169 L203 W217	N62-L66 WeakPolarHBondContact O-CG 3.37Å; N62-L66 PolarHBondContact O-N 3.22Å; E63-L66 PolarHBondContact O-N 3.38Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 2.96Å; L66-L69 PolarHBondContact O-N 2.03Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 PolarHBondContact O-N 3.22Å; L66-W169 VanDerWaalsContact C-CH2 3.46Å; L66-W169 VanDerWaalsContact C-CZ3 3.42Å; L66-W169 HydrophobicContact CB-CD2 3.51Å; L66-W169 VanDerWaalsContact CB-CE2 3.45Å; L66-W169 HydrophobicContact CB-CE3 3.66Å; L66-W169 HydrophobicContact CB-CG 4.19Å; L66-W169 HydrophobicContact CB-CH2 3.81Å; L66-W169 HydrophobicContact CB-CZ2 3.62Å; L66-W169 HydrophobicContact CB-CZ3 3.8Å; L66-W169 HydrophobicContact CD1-CB 4.33Å; L66-W169 HydrophobicContact CD1-CD2 3.83Å; L66-W169 HydrophobicContact CD1-CG 3.59Å; L66-W169 HydrophobicContact CG-CD2 4.23Å; L66-W169 HydrophobicContact CG-CG 4.42Å; L66-W169 WeakPolarHBondContact O-CZ3 3.46Å; L66-L203 HydrophobicContact CB-CD1 4.13Å; L66-L203 HydrophobicContact CD2-CD1 3.93Å; L66-W217 HydrophobicContact CD2-CB 4.31Å; L66-W217 HydrophobicContact CD2-CD2 4.01Å; L66-W217 HydrophobicContact CD2-CG 3.62Å
67	R	96.3	Very high	95.6	Very high	87 Å²	87	83.3 Å²	83.3	33%	0.328	46%	0.46	S	S	.	.	H	α-helix	trans	-59	-45.2	170.1	-75.5	176.2	-169.8	-78.4	-3.6	110.7	E63 L69 L70 G71 Y74 W169	E63-R67 VanDerWaalsContact O-CB 3.29Å; E63-R67 WeakPolarHBondContact O-CB 2.99Å; E63-R67 VanDerWaalsContact O-CG 3.25Å; E63-R67 WeakPolarHBondContact O-CG 3.33Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE2-CZ 3.62Å; E63-R67 IonicContact OE2-NE 3.36Å; E63-R67 PolarHBondContact OE2-NE 3.4Å; E63-R67 IonicContact OE2-NH2 2.96Å; E63-R67 PolarHBondContact OE2-NH2 2.73Å; R67-L69 VanDerWaalsContact C-N 3.34Å; R67-L69 PolarHBondContact O-N 3.02Å; R67-L70 PolarHBondContact O-N 3.43Å; R67-G71 PolarHBondContact O-N 2.89Å; R67-Y74 PolarHBondContact NH1-OH 2.94Å; R67-W169 HydrophobicContact CB-CH2 4.07Å; R67-W169 HydrophobicContact CG-CH2 3.42Å; R67-W169 VanDerWaalsContact CG-CH2 3.42Å; R67-W169 HydrophobicContact CG-CZ2 3.85Å
68	S	96.4	Very high	95.6	Very high	82 Å²	82	79.1 Å²	79.1	57%	0.573	44%	0.442	S	S	*	.	H	α-helix	trans	-65.7	-37	178.1	78	0	0	0	0	112.7	T64 L65 L66 G71	T64-S68 WeakPolarHBondContact O-CB 3.23Å; T64-S68 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-N 2.85Å; L65-S68 PolarHBondContact O-OG 3.05Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 2.96Å; S68-G71 PolarHBondContact O-N 3.49Å
69	L	96.5	Very high	95.7	Very high	93 Å²	93	70.7 Å²	70.7	49%	0.487	40%	0.403	S	S	.	.	H	α-helix	trans	-69.1	-38.4	178.3	179.9	59.8	0	0	0	111.9	L65 L66 R67 G71 L203 W217	L65-L69 WeakPolarHBondContact O-CB 3.39Å; L65-L69 PolarHBondContact O-N 3.06Å; L66-L69 PolarHBondContact O-N 2.03Å; R67-L69 VanDerWaalsContact C-N 3.34Å; R67-L69 PolarHBondContact O-N 3.02Å; L69-G71 VanDerWaalsContact C-N 3.33Å; L69-L203 HydrophobicContact CB-CD1 4.34Å; L69-L203 HydrophobicContact CD2-CD1 3.97Å; L69-L203 HydrophobicContact CD2-CD2 4.2Å; L69-L203 HydrophobicContact CG-CD1 4.24Å; L69-L203 HydrophobicContact CG-CD2 4.11Å; L69-W217 HydrophobicContact CD2-CB 3.67Å
70	L	96.3	Very high	95.7	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-73.4	-29.4	175	-163.1	69.7	0	0	0	111.8	L66 R67 H73 Y74 M79 W169 T201 L203	L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 PolarHBondContact O-N 3.22Å; R67-L70 PolarHBondContact O-N 3.43Å; L70-H73 HydrophobicContact CD1-CB 4.31Å; L70-H73 HydrophobicContact CG-CB 4.08Å; L70-H73 WeakPolarHBondContact O-CB 3.37Å; L70-H73 PolarHBondContact O-CD2 3.33Å; L70-H73 PolarHBondContact O-N 2.87Å; L70-Y74 HydrophobicContact CD2-CD2 3.93Å; L70-Y74 HydrophobicContact CD2-CG 4.42Å; L70-M79 HydrophobicContact CD2-SD 4.01Å; L70-W169 HydrophobicContact CB-CZ3 4Å; L70-W169 HydrophobicContact CD2-CZ3 3.93Å; L70-T201 HydrophobicContact CD1-CG2 4.27Å; L70-T201 VanDerWaalsContact CD1-O 3.3Å; L70-T201 WeakPolarHBondContact CD1-O 3.4Å; L70-L203 HydrophobicContact CB-CG 4.45Å; L70-L203 HydrophobicContact CD1-CD2 3.79Å; L70-L203 HydrophobicContact CD1-CG 3.87Å
71	G	95	Very high	95.7	Very high	39 Å²	39	63.1 Å²	63.1	40%	0.402	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	60.2	-135.6	175.1	0	0	0	0	0	112.3	R67 S68 L69 H73 Y74	R67-G71 PolarHBondContact O-N 2.89Å; S68-G71 PolarHBondContact O-N 3.49Å; L69-G71 VanDerWaalsContact C-N 3.33Å; G71-H73 PolarHBondContact O-N 2.99Å; G71-H73 VanDerWaalsContact O-N 3.1Å; G71-Y74 PolarHBondContact O-N 3.22Å
72	G	95.4	Very high	95.5	Very high	88 Å²	88	63 Å²	63	91%	0.907	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-69.7	-0.4	-179.1	0	0	0	0	0	115.3	Y74	G72-Y74 VanDerWaalsContact C-N 3.35Å
73	H	97.2	Very high	94.9	Very high	113 Å²	113	63 Å²	63	52%	0.523	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-84.2	-9.7	177	-66	-67.9	0	0	0	113.9	L70 G71 D75 M79 T201	L70-H73 HydrophobicContact CD1-CB 4.31Å; L70-H73 HydrophobicContact CG-CB 4.08Å; L70-H73 WeakPolarHBondContact O-CB 3.37Å; L70-H73 PolarHBondContact O-CD2 3.33Å; L70-H73 PolarHBondContact O-N 2.87Å; G71-H73 PolarHBondContact O-N 2.99Å; G71-H73 VanDerWaalsContact O-N 3.1Å; H73-D75 PolarHBondContact O-N 3.49Å; H73-M79 WeakPolarHBondContact O-CE 3.45Å; H73-T201 HydrophobicContact CB-CG2 4.17Å
74	Y	96.4	Very high	94.1	Very high	56 Å²	56	60.9 Å²	60.9	22%	0.22	38%	0.377	C	S	.	.			trans	-68.9	115.9	175.7	-172.3	-89.1	0	0	0	110.5	R67 L70 G71 G72 P76 M79 W169 P170	R67-Y74 PolarHBondContact NH1-OH 2.94Å; L70-Y74 HydrophobicContact CD2-CD2 3.93Å; L70-Y74 HydrophobicContact CD2-CG 4.42Å; G71-Y74 PolarHBondContact O-N 3.22Å; G72-Y74 VanDerWaalsContact C-N 3.35Å; Y74-P76 HydrophobicContact CE1-CB 4.06Å; Y74-M79 HydrophobicContact CD2-SD 4.5Å; Y74-M79 HydrophobicContact CE2-CB 4.43Å; Y74-W169 HydrophobicContact CD2-CH2 4.34Å; Y74-W169 HydrophobicContact CE2-CH2 4.45Å; Y74-P170 HydrophobicContact CD2-CG 3.89Å; Y74-P170 HydrophobicContact CE2-CG 3.56Å
75	D	95.8	Very high	92.6	Very high	65 Å²	65	64.8 Å²	64.8	35%	0.348	39%	0.388	S	S	.	.			trans	-112.9	107.4	175.4	-175.2	-16.5	0	0	0	110.3	H73 G77 F78 M79	H73-D75 PolarHBondContact O-N 3.49Å; D75-G77 PolarHBondContact O-N 3.36Å; D75-G77 WeakPolarHBondContact OD1-CA 3.29Å; D75-G77 PolarHBondContact OD1-N 3.36Å; D75-F78 HydrophobicContact CB-CB 4.42Å; D75-F78 CarbonylContact O-C 3.59Å; D75-F78 PolarHBondContact O-N 2.99Å; D75-F78 VanDerWaalsContact O-N 3.09Å; D75-F78 WeakPolarHBondContact OD2-CD2 3.39Å; D75-M79 VanDerWaalsContact O-CB 3.31Å; D75-M79 WeakPolarHBondContact O-CB 3.36Å; D75-M79 PolarHBondContact O-N 3.41Å
76	P	94.4	Very high	90.5	Very high	97 Å²	97	64.8 Å²	64.8	63%	0.63	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.8	179.8	27.3	-34.1	0	0	0	113.7	Y74 F78	Y74-P76 HydrophobicContact CE1-CB 4.06Å; P76-F78 VanDerWaalsContact C-N 3.31Å
77	G	94.7	Very high	87.9	Confident	32 Å²	32	73.3 Å²	73.3	33%	0.33	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-25.1	174.9	0	0	0	0	0	113.1	D75 K174	D75-G77 PolarHBondContact O-N 3.36Å; D75-G77 WeakPolarHBondContact OD1-CA 3.29Å; D75-G77 PolarHBondContact OD1-N 3.36Å; G77-K174 WeakPolarHBondContact O-CD 3.36Å; G77-K174 WeakPolarHBondContact O-CE 3.5Å; G77-K174 PolarHBondContact O-NZ 2.81Å
78	F	95.7	Very high	85.1	Confident	53 Å²	53	75.2 Å²	75.2	23%	0.232	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-6.1	-173.9	-76	-91.7	0	0	0	114.8	D75 P76 Y159 V173 K174 L200 I224	D75-F78 HydrophobicContact CB-CB 4.42Å; D75-F78 CarbonylContact O-C 3.59Å; D75-F78 PolarHBondContact O-N 2.99Å; D75-F78 VanDerWaalsContact O-N 3.09Å; D75-F78 WeakPolarHBondContact OD2-CD2 3.39Å; P76-F78 VanDerWaalsContact C-N 3.31Å; F78-Y159 HydrophobicContact CE1-CD1 4.23Å; F78-Y159 AromaticContact CE1-CE1 3.69Å; F78-Y159 HydrophobicContact CE1-CE1 3.69Å; F78-Y159 HydrophobicContact CZ-CE1 4.26Å; F78-V173 CarbonylContact O-C 3.58Å; F78-V173 VanDerWaalsContact O-CA 3.26Å; F78-V173 WeakPolarHBondContact O-CA 3.36Å; F78-K174 HydrophobicContact CD1-CB 4.01Å; F78-K174 WeakPolarHBondContact CD1-O 3.26Å; F78-K174 PolarHBondContact O-N 2.79Å; F78-L200 HydrophobicContact CB-CD1 4.08Å; F78-L200 HydrophobicContact CB-CD2 3.98Å; F78-L200 HydrophobicContact CG-CD2 4.36Å; F78-I224 HydrophobicContact CD1-CD1 3.57Å; F78-I224 HydrophobicContact CE1-CD1 3.63Å
79	M	96.6	Very high	81.9	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.015	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.3	-175.7	-54.6	178.9	-177.5	0	0	111.8	L70 H73 Y74 D75 P170 Y172 L200 T201 V202	L70-M79 HydrophobicContact CD2-SD 4.01Å; H73-M79 WeakPolarHBondContact O-CE 3.45Å; Y74-M79 HydrophobicContact CD2-SD 4.5Å; Y74-M79 HydrophobicContact CE2-CB 4.43Å; D75-M79 VanDerWaalsContact O-CB 3.31Å; D75-M79 WeakPolarHBondContact O-CB 3.36Å; D75-M79 PolarHBondContact O-N 3.41Å; M79-P170 HydrophobicContact CB-CB 4.28Å; M79-P170 HydrophobicContact CB-CG 4Å; M79-P170 HydrophobicContact SD-CG 4.37Å; M79-Y172 WeakPolarHBondContact CA-O 3.27Å; M79-L200 HydrophobicContact CE-CB 3.83Å; M79-L200 HydrophobicContact CE-CD1 4.47Å; M79-L200 HydrophobicContact CE-CD2 4.17Å; M79-L200 HydrophobicContact CE-CG 4.37Å; M79-T201 WeakPolarHBondContact CE-O 3.48Å; M79-V202 HydrophobicContact CE-CG1 4.05Å
80	A	95.2	Very high	78.7	Confident	15 Å²	15	73 Å²	73	12%	0.124	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.1	176.4	0	0	0	0	0	111.9	S82 W161 P170 Y172	A80-S82 WeakPolarHBondContact CB-O 3.33Å; A80-W161 HydrophobicContact CB-CH2 3.83Å; A80-W161 HydrophobicContact CB-CZ3 3.77Å; A80-P170 VanDerWaalsContact O-CB 3.25Å; A80-P170 WeakPolarHBondContact O-CB 3.49Å; A80-Y172 PolarHBondContact N-O 2.99Å; A80-Y172 PolarHBondContact O-N 3.09Å
81	T	93.4	Very high	75.3	Confident	36 Å²	36	75.5 Å²	75.5	22%	0.221	48%	0.483	C	S	.	.	S	Bend	trans	-84.1	-38.8	176	52.8	0	0	0	0	111.7	E63 W169 P170 Y172	E63-T81 PolarHBondContact OE1-OG1 2.96Å; T81-W169 HydrophobicContact CG2-CZ2 3.93Å; T81-P170 HydrophobicContact CG2-CB 4.2Å; T81-Y172 WeakPolarHBondContact O-CD2 3.19Å; T81-Y172 WeakPolarHBondContact O-CE2 3.33Å
82	S	90.4	Very high	72	Confident	73 Å²	73	77 Å²	77	51%	0.51	50%	0.498	S	S	.	.	S	Bend	trans	-97.8	157.8	171.8	55.6	0	0	0	0	111.5	A80 P84 Y172	A80-S82 WeakPolarHBondContact CB-O 3.33Å; S82-P84 WeakPolarHBondContact O-CD 3.48Å; S82-Y172 WeakPolarHBondContact O-CD2 3.47Å
83	P	84.3	Confident	68.8	Low	78 Å²	78	75.7 Å²	75.7	51%	0.506	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-55.1	124.5	168	-12.1	20.4	0	0	0	108.5	Y172	P83-Y172 HydrophobicContact CB-CE1 4.17Å; P83-Y172 HydrophobicContact CB-CE2 4.48Å; P83-Y172 HydrophobicContact CG-CE1 4.12Å; P83-Y172 HydrophobicContact CG-CE2 3.97Å; P83-Y172 WeakPolarHBondContact CG-OH 3.48Å; P83-Y172 VanDerWaalsContact N-CE2 3.32Å
84	P	77.9	Confident	65.9	Low	40 Å²	40	76 Å²	76	26%	0.26	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-69.4	135.3	178.4	18.3	-19.7	0	0	0	109.9	S82 D86 W161	S82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-D86 PolarHBondContact O-N 3.24Å; P84-W161 HydrophobicContact CB-CD2 4.19Å; P84-W161 HydrophobicContact CB-CG 4.4Å; P84-W161 HydrophobicContact CB-CZ2 3.92Å; P84-W161 HydrophobicContact CG-CB 3.93Å; P84-W161 HydrophobicContact CG-CD2 3.14Å; P84-W161 HydrophobicContact CG-CE3 3.72Å; P84-W161 HydrophobicContact CG-CG 3.23Å; P84-W161 HydrophobicContact CG-CH2 4.24Å; P84-W161 HydrophobicContact CG-CZ2 3.73Å; P84-W161 HydrophobicContact CG-CZ3 4.23Å; P84-W161 VanDerWaalsContact CG-NE1 3.28Å
85	E	62.7	Low	62.9	Low	191 Å²	191	77.6 Å²	77.6	89%	0.893	53%	0.531	S	S	*	.			trans	-77.1	52.3	177.8	-65	-174.5	136.1	0	0	111.6	R87	E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.9Å
86	D	53.6	Low	60.4	Low	110 Å²	110	76.2 Å²	76.2	59%	0.588	53%	0.533	S	S	*	.			trans	-93.7	68.9	169.3	-73.4	-38.4	0	0	0	109.2	P84 W161	P84-D86 PolarHBondContact O-N 3.24Å; D86-W161 PolarHBondContact OD2-NE1 2.63Å
87	R	41.8	Very low	59	Low	185 Å²	185	73.4 Å²	73.4	70%	0.698	52%	0.522	S	S	*	.			trans	-111.3	78.2	156.1	-80.5	-172.1	174.1	167.7	2.9	110.9	E85 G89	E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.9Å; R87-G89 VanDerWaalsContact C-N 3.31Å; R87-G89 PolarHBondContact O-N 3.4Å
88	P	37	Very low	57.9	Low	126 Å²	126	75.4 Å²	75.4	82%	0.818	54%	0.535	S	S	*	.	S	Bend	trans	-87.7	77.6	145.9	10	9.1	0	0	0	107.9
89	G	30.3	Very low	57	Low	65 Å²	65	80.2 Å²	80.2	67%	0.67	56%	0.558	S	S	*	*	S	Bend	trans	121	123.1	174.8	0	0	0	0	0	114.5	R87	R87-G89 VanDerWaalsContact C-N 3.31Å; R87-G89 PolarHBondContact O-N 3.4Å
90	G	27.8	Very low	56.6	Low	63 Å²	63	84.8 Å²	84.8	65%	0.649	58%	0.583	S	S	*	*			trans	92.6	69.6	160.6	0	0	0	0	0	116.9
91	G	26.5	Very low	56.4	Low	58 Å²	58	88.1 Å²	88.1	60%	0.598	60%	0.598	S	S	*	*			trans	-66	128.8	151.5	0	0	0	0	0	110.3
92	G	26	Very low	56.3	Low	69 Å²	69	88.2 Å²	88.2	71%	0.711	60%	0.603	S	S	*	*	S	Bend	trans	80.5	117.4	156.5	0	0	0	0	0	116.6
93	G	26.9	Very low	56.5	Low	62 Å²	62	90.4 Å²	90.4	64%	0.639	61%	0.605	S	S	*	*			trans	104.3	120.5	157.3	0	0	0	0	0	114	A95	G93-A95 PolarHBondContact O-N 3.13Å
94	A	35.9	Very low	56.9	Low	120 Å²	120	90.4 Å²	90.4	99%	0.992	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	17.1	176.3	0	0	0	0	0	115.6
95	A	35.2	Very low	57.7	Low	88 Å²	88	88.5 Å²	88.5	73%	0.727	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-30.4	-175.2	0	0	0	0	0	113.8	G93	G93-A95 PolarHBondContact O-N 3.13Å
96	G	42.7	Very low	59.2	Low	36 Å²	36	85.4 Å²	85.4	37%	0.371	57%	0.573	S	S	.	*	S	Bend	trans	-86.3	-20.5	-178.6	0	0	0	0	0	115.2	A98 D100	G96-A98 VanDerWaalsContact C-N 3.33Å; G96-A98 PolarHBondContact O-N 3.08Å; G96-D100 VanDerWaalsContact O-CG 3.3Å
97	G	64.2	Low	61.2	Low	39 Å²	39	85 Å²	85	40%	0.402	57%	0.571	S	S	.	*	H	α-helix	trans	-71.4	-19.7	-168.2	0	0	0	0	0	115.7	L101	G97-L101 WeakPolarHBondContact O-CB 3.44Å; G97-L101 WeakPolarHBondContact O-CD1 3.33Å; G97-L101 WeakPolarHBondContact O-CG 3.41Å; G97-L101 PolarHBondContact O-N 3.38Å
98	A	71.4	Confident	63.8	Low	74 Å²	74	79.5 Å²	79.5	61%	0.612	56%	0.555	S	S	*	*	H	α-helix	trans	-80.9	-41.1	-175.7	0	0	0	0	0	112.8	G96 A102	G96-A98 VanDerWaalsContact C-N 3.33Å; G96-A98 PolarHBondContact O-N 3.08Å; A98-A102 PolarHBondContact O-N 2.91Å; A98-A102 VanDerWaalsContact O-N 3.16Å
99	E	77.9	Confident	66.6	Low	154 Å²	154	73.8 Å²	73.8	72%	0.72	52%	0.517	S	S	*	.	H	α-helix	trans	-69.4	-43.5	178.3	-63.6	-170.5	120.1	0	0	110.4	L101 A102 E103	E99-L101 VanDerWaalsContact C-N 3.28Å; E99-L101 PolarHBondContact O-N 3.44Å; E99-A102 WeakPolarHBondContact O-CB 3Å; E99-A102 PolarHBondContact O-N 3.13Å; E99-E103 PolarHBondContact O-N 3.17Å
100	D	87.6	Confident	69.7	Low	99 Å²	99	76.6 Å²	76.6	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-57.3	-40.7	175.6	-65.7	-16.3	0	0	0	112.1	G96 L104	G96-D100 VanDerWaalsContact O-CG 3.3Å; D100-L104 VanDerWaalsContact O-CB 3.29Å; D100-L104 WeakPolarHBondContact O-CB 3.45Å; D100-L104 PolarHBondContact O-N 2.94Å
101	L	89.9	Confident	72.8	Confident	84 Å²	84	84 Å²	84	44%	0.44	52%	0.521	S	S	.	.	H	α-helix	trans	-69.5	-35	176.8	-74.2	173.4	0	0	0	112.7	G97 E99 D105 L158 F179	G97-L101 WeakPolarHBondContact O-CB 3.44Å; G97-L101 WeakPolarHBondContact O-CD1 3.33Å; G97-L101 WeakPolarHBondContact O-CG 3.41Å; G97-L101 PolarHBondContact O-N 3.38Å; E99-L101 VanDerWaalsContact C-N 3.28Å; E99-L101 PolarHBondContact O-N 3.44Å; L101-D105 WeakPolarHBondContact O-CB 3.02Å; L101-D105 PolarHBondContact O-N 3.27Å; L101-L158 HydrophobicContact CD2-CD1 4.18Å; L101-F179 HydrophobicContact CB-CE2 4.48Å
102	A	92.8	Very high	76	Confident	39 Å²	39	82.2 Å²	82.2	32%	0.322	50%	0.499	S	S	.	.	H	α-helix	trans	-69.6	-41.3	176.7	0	0	0	0	0	111.4	A98 E99 D105 Q106 F179	A98-A102 PolarHBondContact O-N 2.91Å; A98-A102 VanDerWaalsContact O-N 3.16Å; E99-A102 WeakPolarHBondContact O-CB 3Å; E99-A102 PolarHBondContact O-N 3.13Å; A102-D105 PolarHBondContact O-N 2.9Å; A102-Q106 PolarHBondContact O-N 3.4Å; A102-F179 HydrophobicContact CB-CE2 4.34Å; A102-F179 HydrophobicContact CB-CZ 3.84Å
103	E	93.4	Very high	79.1	Confident	119 Å²	119	83.1 Å²	83.1	56%	0.556	49%	0.494	S	S	*	.	H	α-helix	trans	-62.8	-45.4	173.4	-174	177.3	170	0	0	110.9	E99 D105 Q106 L107	E99-E103 PolarHBondContact O-N 3.17Å; E103-D105 PolarHBondContact O-N 3.19Å; E103-Q106 PolarHBondContact O-N 3.37Å; E103-L107 HydrophobicContact CG-CD1 4.19Å; E103-L107 HydrophobicContact CG-CG 4.47Å; E103-L107 WeakPolarHBondContact O-CG 3.33Å; E103-L107 PolarHBondContact O-N 2.85Å
104	L	92.9	Very high	82.2	Confident	77 Å²	77	83.4 Å²	83.4	40%	0.403	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-44.8	176.4	-178	61.5	0	0	0	112.3	D100 Q106 L107 L108 L158	D100-L104 VanDerWaalsContact O-CB 3.29Å; D100-L104 WeakPolarHBondContact O-CB 3.45Å; D100-L104 PolarHBondContact O-N 2.94Å; L104-Q106 VanDerWaalsContact C-N 3.32Å; L104-Q106 PolarHBondContact O-N 3.46Å; L104-L107 PolarHBondContact O-N 2.77Å; L104-L108 HydrophobicContact CD1-CD1 4.2Å; L104-L108 HydrophobicContact CD1-CG 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.1Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 2.03Å; L104-L158 HydrophobicContact CD2-CD2 4.22Å; L104-L158 HydrophobicContact CG-CD2 4.25Å
105	D	95	Very high	85	Confident	1 Å²	1	82 Å²	82	1%	0.005	49%	0.486	C	S	.	.	H	α-helix	trans	-56.9	-46.3	173.5	171.5	77.4	0	0	0	111	L101 A102 E103 L107 L108 R109 P156 F179 R182	L101-D105 WeakPolarHBondContact O-CB 3.02Å; L101-D105 PolarHBondContact O-N 3.27Å; A102-D105 PolarHBondContact O-N 2.9Å; E103-D105 PolarHBondContact O-N 3.19Å; D105-L107 PolarHBondContact O-N 3.14Å; D105-L108 PolarHBondContact O-N 2.86Å; D105-R109 WeakPolarHBondContact O-CB 3.02Å; D105-R109 WeakPolarHBondContact O-CG 3.25Å; D105-R109 PolarHBondContact O-N 2.84Å; D105-R109 IonicContact OD1-CZ 2.79Å; D105-R109 IonicContact OD1-NE 2.65Å; D105-R109 PolarHBondContact OD1-NE 2.94Å; D105-R109 IonicContact OD1-NH2 3.27Å; D105-R109 PolarHBondContact OD1-NH2 3.48Å; D105-R109 IonicContact OD2-CZ 3.54Å; D105-R109 IonicContact OD2-NE 3.27Å; D105-R109 PolarHBondContact OD2-NE 2.87Å; D105-R109 IonicContact OD2-NH2 3.69Å; D105-R109 PolarHBondContact OD2-NH2 2.88Å; D105-P156 WeakPolarHBondContact OD1-CG 3.31Å; D105-F179 HydrophobicContact CB-CB 4.16Å; D105-F179 HydrophobicContact CB-CD1 3.79Å; D105-F179 HydrophobicContact CB-CD2 4.18Å; D105-F179 HydrophobicContact CB-CE1 4.17Å; D105-F179 HydrophobicContact CB-CG 3.78Å; D105-F179 WeakPolarHBondContact OD1-CB 3.35Å; D105-F179 WeakPolarHBondContact OD2-CD1 3.45Å; D105-R182 WeakPolarHBondContact OD2-CD 3.2Å
106	Q	94.6	Very high	87.8	Confident	125 Å²	125	79.7 Å²	79.7	58%	0.584	46%	0.46	S	S	*	.	H	α-helix	trans	-62.2	-45.1	178.8	-178	170.9	-11.6	0	0	112.1	A102 E103 L104 R109 Q110	A102-Q106 PolarHBondContact O-N 3.4Å; E103-Q106 PolarHBondContact O-N 3.37Å; L104-Q106 VanDerWaalsContact C-N 3.32Å; L104-Q106 PolarHBondContact O-N 3.46Å; Q106-R109 PolarHBondContact O-N 3.47Å; Q106-Q110 WeakPolarHBondContact O-CG 3.45Å; Q106-Q110 PolarHBondContact O-N 2.92Å; Q106-Q110 VanDerWaalsContact O-N 3.15Å
107	L	95.6	Very high	90.4	Very high	103 Å²	103	80.2 Å²	80.2	54%	0.539	46%	0.457	S	S	.	.	H	α-helix	trans	-61.7	-43.9	178	-72.1	172.6	0	0	0	112	E103 L104 D105 Q110	E103-L107 HydrophobicContact CG-CD1 4.19Å; E103-L107 HydrophobicContact CG-CG 4.47Å; E103-L107 WeakPolarHBondContact O-CG 3.33Å; E103-L107 PolarHBondContact O-N 2.85Å; L104-L107 PolarHBondContact O-N 2.77Å; D105-L107 PolarHBondContact O-N 3.14Å; L107-Q110 PolarHBondContact O-N 3.44Å
108	L	96	Very high	91.9	Very high	69 Å²	69	82.3 Å²	82.3	36%	0.361	47%	0.466	S	S	.	.	H	α-helix	trans	-66.6	-36.5	177.7	-68.8	173.7	0	0	0	111.8	L104 D105 Q110 R111 P156 L158	L104-L108 HydrophobicContact CD1-CD1 4.2Å; L104-L108 HydrophobicContact CD1-CG 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.1Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 2.03Å; D105-L108 PolarHBondContact O-N 2.86Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 2.9Å; L108-R111 CarbonylContact O-C 3.56Å; L108-R111 PolarHBondContact O-N 3.29Å; L108-R111 VanDerWaalsContact O-N 3.12Å; L108-P156 HydrophobicContact CB-CB 3.79Å; L108-P156 HydrophobicContact CB-CG 4.03Å; L108-P156 HydrophobicContact CD1-CB 3.89Å; L108-P156 HydrophobicContact CD1-CG 4.4Å; L108-P156 HydrophobicContact CG-CB 4.49Å; L108-L158 HydrophobicContact CD1-CD2 3.59Å
109	R	96.1	Very high	93	Very high	6 Å²	6	85.4 Å²	85.4	2%	0.023	47%	0.467	C	S	.	.	H	α-helix	trans	-65.6	-27.9	173.6	-75.5	-179.6	-161.4	-110.4	-4.7	113.8	D105 Q106 R111 P112 S151 Q152 F154 P156 R182 C192	D105-R109 WeakPolarHBondContact O-CB 3.02Å; D105-R109 WeakPolarHBondContact O-CG 3.25Å; D105-R109 PolarHBondContact O-N 2.84Å; D105-R109 IonicContact OD1-CZ 2.79Å; D105-R109 IonicContact OD1-NE 2.65Å; D105-R109 PolarHBondContact OD1-NE 2.94Å; D105-R109 IonicContact OD1-NH2 3.27Å; D105-R109 PolarHBondContact OD1-NH2 3.48Å; D105-R109 IonicContact OD2-CZ 3.54Å; D105-R109 IonicContact OD2-NE 3.27Å; D105-R109 PolarHBondContact OD2-NE 2.87Å; D105-R109 IonicContact OD2-NH2 3.69Å; D105-R109 PolarHBondContact OD2-NH2 2.88Å; Q106-R109 PolarHBondContact O-N 3.47Å; R109-R111 PolarHBondContact O-N 3.13Å; R109-P112 VanDerWaalsContact O-CD 3.29Å; R109-P112 WeakPolarHBondContact O-CD 2.99Å; R109-P112 WeakPolarHBondContact O-CG 3.46Å; R109-S151 VanDerWaalsContact C-OG 3.3Å; R109-S151 WeakPolarHBondContact CB-O 3.3Å; R109-S151 WeakPolarHBondContact O-CA 3.35Å; R109-S151 VanDerWaalsContact O-CB 3.31Å; R109-S151 WeakPolarHBondContact O-CB 3.34Å; R109-S151 PolarHBondContact O-OG 2.85Å; R109-Q152 PolarHBondContact NH1-O 2.76Å; R109-Q152 VanDerWaalsContact NH1-O 3.13Å; R109-F154 HydrophobicContact CG-CD1 4.33Å; R109-F154 PolarHBondContact NH1-O 3.02Å; R109-P156 HydrophobicContact CG-CG 4.43Å; R109-R182 VanDerWaalsContact CZ-NH1 3.27Å; R109-C192 PolarHBondContact NH2-SG 3.29Å; R109-C192 VanDerWaalsContact NH2-SG 3.38Å
110	Q	94.8	Very high	93.8	Very high	123 Å²	123	78.8 Å²	78.8	58%	0.575	44%	0.437	S	S	*	.	H	α-helix	trans	-69.5	-18.5	174.1	-64.9	-50.2	-47.2	0	0	112.7	Q106 L107 L108	Q106-Q110 WeakPolarHBondContact O-CG 3.45Å; Q106-Q110 PolarHBondContact O-N 2.92Å; Q106-Q110 VanDerWaalsContact O-N 3.15Å; L107-Q110 PolarHBondContact O-N 3.44Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 2.9Å
111	R	93.7	Very high	94.1	Very high	219 Å²	219	80.8 Å²	80.8	83%	0.826	44%	0.441	S	S	*	.	S	Bend	trans	-129.4	68.1	176.8	-62	-175.9	179.5	-176.1	1.4	110.9	L108 R109 S113	L108-R111 CarbonylContact O-C 3.56Å; L108-R111 PolarHBondContact O-N 3.29Å; L108-R111 VanDerWaalsContact O-N 3.12Å; R109-R111 PolarHBondContact O-N 3.13Å; R111-S113 PolarHBondContact O-N 2.89Å
112	P	92.8	Very high	94.2	Very high	21 Å²	21	79.3 Å²	79.3	14%	0.136	45%	0.446	C	S	.	.			trans	-55.3	132.1	179.6	-24.3	35.8	0	0	0	111.2	R109 W150 F154	R109-P112 VanDerWaalsContact O-CD 3.29Å; R109-P112 WeakPolarHBondContact O-CD 2.99Å; R109-P112 WeakPolarHBondContact O-CG 3.46Å; P112-W150 HydrophobicContact CB-CD2 3.8Å; P112-W150 HydrophobicContact CB-CE3 4.37Å; P112-W150 HydrophobicContact CB-CG 4.21Å; P112-W150 HydrophobicContact CB-CH2 4.2Å; P112-W150 HydrophobicContact CB-CZ2 3.61Å; P112-W150 HydrophobicContact CG-CD2 3.99Å; P112-W150 HydrophobicContact CG-CE3 4.41Å; P112-W150 HydrophobicContact CG-CG 4.16Å; P112-F154 HydrophobicContact CB-CB 4.16Å; P112-F154 HydrophobicContact CB-CD1 4.02Å; P112-F154 HydrophobicContact CB-CD2 3.85Å; P112-F154 HydrophobicContact CB-CE1 4.36Å; P112-F154 HydrophobicContact CB-CE2 4.21Å; P112-F154 HydrophobicContact CB-CG 3.75Å; P112-F154 HydrophobicContact CB-CZ 4.45Å; P112-F154 HydrophobicContact CG-CB 4.25Å; P112-F154 HydrophobicContact CG-CD1 4.4Å; P112-F154 HydrophobicContact CG-CG 4.26Å
113	S	91.1	Very high	94.2	Very high	88 Å²	88	80.5 Å²	80.5	62%	0.615	45%	0.446	S	S	*	.			trans	-82.1	157.6	174.5	61.6	0	0	0	0	111.1	R111 F154	R111-S113 PolarHBondContact O-N 2.89Å; S113-F154 WeakPolarHBondContact OG-CZ 3.47Å
114	G	91.9	Very high	93.8	Very high	67 Å²	67	78.2 Å²	78.2	69%	0.691	44%	0.436	S	S	*	.	S	Bend	trans	79.5	-167.5	179.6	0	0	0	0	0	114.2	W150	G114-W150 WeakPolarHBondContact O-CH2 3.49Å; G114-W150 WeakPolarHBondContact O-CZ2 3.44Å
115	A	94.4	Very high	93.4	Very high	92 Å²	92	77.8 Å²	77.8	76%	0.76	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-86.1	147	177.8	0	0	0	0	0	110.9
116	M	95.2	Very high	92.2	Very high	38 Å²	38	81.1 Å²	81.1	19%	0.187	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-57.2	129.2	172.7	-179.2	179.5	-74.3	0	0	110.2	I120 K121 Q146 M147 W150	M116-I120 HydrophobicContact CG-CB 4.17Å; M116-I120 HydrophobicContact CG-CG2 4.14Å; M116-I120 HydrophobicContact SD-CB 4.48Å; M116-I120 HydrophobicContact SD-CG2 3.96Å; M116-K121 HydrophobicContact CG-CB 4.18Å; M116-K121 HydrophobicContact SD-CB 3.97Å; M116-K121 HydrophobicContact SD-CG 4.45Å; M116-Q146 HydrophobicContact CE-CB 4.04Å; M116-Q146 HydrophobicContact SD-CB 4.08Å; M116-M147 HydrophobicContact CE-CG 4.39Å; M116-M147 HydrophobicContact CE-SD 3.48Å; M116-M147 WeakPolarHBondContact CE-SD 3.46Å; M116-W150 HydrophobicContact CB-CD2 4.12Å; M116-W150 HydrophobicContact CB-CE3 3.91Å; M116-W150 HydrophobicContact CB-CH2 4.26Å; M116-W150 HydrophobicContact CB-CZ2 4.44Å; M116-W150 HydrophobicContact CB-CZ3 3.99Å; M116-W150 HydrophobicContact CE-CB 4.44Å; M116-W150 HydrophobicContact CE-CD2 4.33Å; M116-W150 HydrophobicContact CE-CE3 3.59Å; M116-W150 HydrophobicContact CE-CZ3 4.24Å; M116-W150 HydrophobicContact CG-CD2 4.21Å; M116-W150 HydrophobicContact CG-CE3 4.17Å; M116-W150 HydrophobicContact CG-CG 4.47Å
117	P	96	Very high	90.7	Very high	47 Å²	47	84.1 Å²	84.1	31%	0.305	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-53.9	140.3	177.1	-25.9	33.4	0	0	0	112	E119 I120 K121	P117-E119 WeakPolarHBondContact CB-OE2 3.36Å; P117-E119 PolarHBondContact O-N 3.32Å; P117-I120 HydrophobicContact CB-CG1 4.48Å; P117-I120 HydrophobicContact CG-CD1 4.3Å; P117-I120 PolarHBondContact O-N 2.94Å; P117-K121 WeakPolarHBondContact O-CB 3.34Å; P117-K121 PolarHBondContact O-N 3.24Å
118	S	96.1	Very high	89	Confident	84 Å²	84	82.9 Å²	82.9	59%	0.587	48%	0.48	S	S	*	.	H	α-helix	trans	-55.4	-36.6	-179.5	30.1	0	0	0	0	112.6	I120 K121 G122	S118-I120 VanDerWaalsContact C-N 3.26Å; S118-I120 PolarHBondContact O-N 3.38Å; S118-K121 PolarHBondContact O-N 2.85Å; S118-G122 PolarHBondContact O-N 3.43Å
119	E	94.5	Very high	87	Confident	138 Å²	138	84.5 Å²	84.5	65%	0.645	49%	0.489	S	S	*	.	H	α-helix	trans	-63.6	-33.5	-179.6	-57.5	70.4	-148.8	0	0	111.2	P117 L123	P117-E119 WeakPolarHBondContact CB-OE2 3.36Å; P117-E119 PolarHBondContact O-N 3.32Å; E119-L123 VanDerWaalsContact O-CG 3.32Å; E119-L123 WeakPolarHBondContact O-CG 3.44Å
120	I	95.7	Very high	85.1	Confident	15 Å²	15	88.4 Å²	88.4	8%	0.077	52%	0.522	C	S	.	.	H	α-helix	trans	-86.2	-44.7	177.5	-60.6	179.3	0	0	0	110.4	M116 P117 S118 G122 L123 Q146 L149 W150	M116-I120 HydrophobicContact CG-CB 4.17Å; M116-I120 HydrophobicContact CG-CG2 4.14Å; M116-I120 HydrophobicContact SD-CB 4.48Å; M116-I120 HydrophobicContact SD-CG2 3.96Å; P117-I120 HydrophobicContact CB-CG1 4.48Å; P117-I120 HydrophobicContact CG-CD1 4.3Å; P117-I120 PolarHBondContact O-N 2.94Å; S118-I120 VanDerWaalsContact C-N 3.26Å; S118-I120 PolarHBondContact O-N 3.38Å; I120-G122 PolarHBondContact O-N 3.38Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 2.96Å; I120-L123 VanDerWaalsContact O-N 3.13Å; I120-Q146 HydrophobicContact CG2-CB 3.99Å; I120-Q146 HydrophobicContact CG2-CG 4.33Å; I120-Q146 VanDerWaalsContact CG2-O 3.29Å; I120-Q146 WeakPolarHBondContact CG2-O 3.33Å; I120-Q146 PolarHBondContact O-NE2 3.5Å; I120-Q146 VanDerWaalsContact O-NE2 3.08Å; I120-L149 HydrophobicContact CD1-CB 4.32Å; I120-L149 HydrophobicContact CG2-CB 4.15Å; I120-W150 HydrophobicContact CD1-CB 4.14Å
121	K	94.5	Very high	83	Confident	141 Å²	141	92.6 Å²	92.6	61%	0.613	54%	0.542	S	S	*	.	H	α-helix	trans	-59.6	-34.2	179.9	-170.7	-179.6	179.1	-177	0	111.8	M116 P117 S118 Q146	M116-K121 HydrophobicContact CG-CB 4.18Å; M116-K121 HydrophobicContact SD-CB 3.97Å; M116-K121 HydrophobicContact SD-CG 4.45Å; P117-K121 WeakPolarHBondContact O-CB 3.34Å; P117-K121 PolarHBondContact O-N 3.24Å; S118-K121 PolarHBondContact O-N 2.85Å; K121-Q146 PolarHBondContact O-NE2 2.97Å
122	G	91.8	Very high	81.2	Confident	53 Å²	53	85.9 Å²	85.9	55%	0.546	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.5	178.7	0	0	0	0	0	115.6	S118 I120 E124	S118-G122 PolarHBondContact O-N 3.43Å; I120-G122 PolarHBondContact O-N 3.38Å; G122-E124 PolarHBondContact O-N 2.8Å
123	L	91.7	Very high	79.4	Confident	64 Å²	64	92.4 Å²	92.4	34%	0.335	57%	0.567	S	S	.	*			trans	-68	116.5	-177.2	-64.1	173.3	0	0	0	111.6	E119 I120 F125 R142 Q146 L149	E119-L123 VanDerWaalsContact O-CG 3.32Å; E119-L123 WeakPolarHBondContact O-CG 3.44Å; I120-L123 WeakPolarHBondContact O-CB 3.36Å; I120-L123 PolarHBondContact O-N 2.96Å; I120-L123 VanDerWaalsContact O-N 3.13Å; L123-F125 HydrophobicContact CB-CD2 4.26Å; L123-F125 HydrophobicContact CB-CE1 4.48Å; L123-F125 HydrophobicContact CB-CE2 3.81Å; L123-F125 HydrophobicContact CB-CZ 3.93Å; L123-F125 HydrophobicContact CD1-CE1 4.38Å; L123-F125 HydrophobicContact CD1-CZ 4Å; L123-R142 PolarHBondContact O-NE 2.94Å; L123-R142 PolarHBondContact O-NH2 3.18Å; L123-R142 VanDerWaalsContact O-NH2 3.14Å; L123-Q146 PolarHBondContact O-NE2 3.32Å; L123-L149 HydrophobicContact CD1-CD1 3.46Å; L123-L149 VanDerWaalsContact CD1-CD1 3.46Å
124	E	84.8	Confident	77.8	Confident	71 Å²	71	98.2 Å²	98.2	33%	0.332	58%	0.581	S	S	.	*			trans	-95	-12.4	176.8	-71.1	-76.6	154.6	0	0	113.2	G122 S126 R136 R142	G122-E124 PolarHBondContact O-N 2.8Å; E124-S126 PolarHBondContact O-N 3.24Å; E124-R136 IonicContact OE2-CZ 2.63Å; E124-R136 IonicContact OE2-NE 3.83Å; E124-R136 IonicContact OE2-NH2 2.82Å; E124-R136 PolarHBondContact OE2-NH2 3.31Å; E124-R142 IonicContact OE1-CZ 2.69Å; E124-R142 IonicContact OE1-NH1 3.59Å; E124-R142 PolarHBondContact OE1-NH1 2.03Å; E124-R142 IonicContact OE1-NH2 2.72Å; E124-R142 PolarHBondContact OE1-NH2 2.95Å; E124-R142 IonicContact OE2-CZ 2.8Å; E124-R142 VanDerWaalsContact OE2-CZ 3.27Å; E124-R142 IonicContact OE2-NE 3.05Å; E124-R142 IonicContact OE2-NH1 3.75Å; E124-R142 PolarHBondContact OE2-NH1 2.65Å; E124-R142 IonicContact OE2-NH2 2.74Å
125	F	84.4	Confident	76.2	Confident	68 Å²	68	102.6 Å²	102.6	30%	0.298	58%	0.584	S	S	.	*			trans	45.2	46.7	-177	-54	-86.6	0	0	0	112.9	L123 L137 R142 L145 Q146 L149	L123-F125 HydrophobicContact CB-CD2 4.26Å; L123-F125 HydrophobicContact CB-CE1 4.48Å; L123-F125 HydrophobicContact CB-CE2 3.81Å; L123-F125 HydrophobicContact CB-CZ 3.93Å; L123-F125 HydrophobicContact CD1-CE1 4.38Å; L123-F125 HydrophobicContact CD1-CZ 4Å; F125-L137 HydrophobicContact CB-CD1 3.39Å; F125-L137 HydrophobicContact CB-CG 3.96Å; F125-L137 HydrophobicContact CD2-CD1 4.33Å; F125-L137 HydrophobicContact CG-CD1 3.88Å; F125-R142 HydrophobicContact CD2-CB 4.49Å; F125-R142 HydrophobicContact CD2-CG 4.02Å; F125-R142 HydrophobicContact CE2-CG 4.27Å; F125-L145 HydrophobicContact CD1-CD1 4.31Å; F125-L145 HydrophobicContact CD2-CD1 4.39Å; F125-L145 HydrophobicContact CE1-CB 4.29Å; F125-L145 HydrophobicContact CE1-CD1 4.27Å; F125-L145 HydrophobicContact CE2-CB 3.84Å; F125-L145 HydrophobicContact CE2-CD1 4.34Å; F125-L145 HydrophobicContact CG-CD1 4.38Å; F125-L145 HydrophobicContact CZ-CB 3.64Å; F125-L145 HydrophobicContact CZ-CD1 4.28Å; F125-Q146 HydrophobicContact CE2-CG 4.03Å; F125-L149 HydrophobicContact CE1-CD1 4.26Å; F125-L149 HydrophobicContact CZ-CD1 3.87Å
126	S	71.1	Confident	75	Confident	71 Å²	71	105.9 Å²	105.9	50%	0.497	58%	0.576	S	S	.	*			trans	-101.3	-8.7	-171	45.7	0	0	0	0	114.7	E124	E124-S126 PolarHBondContact O-N 3.24Å
127	E	62.8	Low	74.3	Confident	189 Å²	189	106.9 Å²	106.9	88%	0.883	58%	0.582	S	S	*	*			trans	-115.5	119.5	-172.6	-71.4	167.7	-170.5	0	0	109.2
128	G	60	Low	73.9	Confident	77 Å²	77	108 Å²	108	79%	0.794	59%	0.591	S	S	*	*			trans	163.3	-13.7	-177.9	0	0	0	0	0	115.9
129	L	53.4	Low	73.6	Confident	103 Å²	103	112.9 Å²	112.9	54%	0.539	60%	0.602	S	S	.	*	S	Bend	trans	-104	140.3	163.4	-99	88.7	0	0	0	109.9	K133	L129-K133 HydrophobicContact CB-CB 4.37Å; L129-K133 HydrophobicContact CD2-CB 3.87Å; L129-K133 HydrophobicContact CD2-CD 4.14Å
130	A	56	Low	73.5	Confident	88 Å²	88	113.7 Å²	113.7	73%	0.727	60%	0.603	S	S	*	*			trans	-35.5	137.9	175.3	0	0	0	0	0	112.4	G132 K133	A130-G132 PolarHBondContact O-N 3.15Å; A130-K133 PolarHBondContact O-N 3.41Å
131	Q	51.3	Low	73.3	Confident	211 Å²	211	116.5 Å²	116.5	99%	0.986	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-38.4	101.5	176	-82.3	178.7	-42.6	0	0	110.3
132	G	56.3	Low	73.2	Confident	78 Å²	78	111.6 Å²	111.6	80%	0.804	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	142.3	-25.3	179.6	0	0	0	0	0	116.5	A130	A130-G132 PolarHBondContact O-N 3.15Å
133	K	55.5	Low	73.3	Confident	158 Å²	158	117.7 Å²	117.7	69%	0.687	60%	0.602	S	S	*	*			trans	-114.3	92.9	176.4	-75.4	-176.9	179.1	178.4	0	111.5	L129 A130 Q135	L129-K133 HydrophobicContact CB-CB 4.37Å; L129-K133 HydrophobicContact CD2-CB 3.87Å; L129-K133 HydrophobicContact CD2-CD 4.14Å; A130-K133 PolarHBondContact O-N 3.41Å; K133-Q135 PolarHBondContact O-N 3.36Å
134	K	56	Low	73.4	Confident	209 Å²	209	120.9 Å²	120.9	91%	0.909	61%	0.613	S	S	*	*			trans	-71.1	56.2	174.1	-64.4	-176.7	179.9	179.1	0	112.1	R136	K134-R136 VanDerWaalsContact C-N 3.25Å; K134-R136 PolarHBondContact O-N 3.25Å
135	Q	59.4	Low	73.9	Confident	159 Å²	159	120.1 Å²	120.1	74%	0.743	61%	0.611	S	S	*	*			trans	-77.8	85	173.5	-126.6	-166.2	-26.3	0	0	109.4	K133 L137	K133-Q135 PolarHBondContact O-N 3.36Å; Q135-L137 PolarHBondContact O-N 3.01Å
136	R	68.5	Low	74.4	Confident	161 Å²	161	117.8 Å²	117.8	61%	0.608	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-61.2	129.6	170.7	-167.6	177.5	-178.2	-176.5	3.1	108.2	E124 K134 S138	E124-R136 IonicContact OE2-CZ 2.63Å; E124-R136 IonicContact OE2-NE 3.83Å; E124-R136 IonicContact OE2-NH2 2.82Å; E124-R136 PolarHBondContact OE2-NH2 3.31Å; K134-R136 VanDerWaalsContact C-N 3.25Å; K134-R136 PolarHBondContact O-N 3.25Å; R136-S138 PolarHBondContact O-N 3.32Å
137	L	81	Confident	75.6	Confident	59 Å²	59	118 Å²	118	31%	0.309	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-53.6	145.1	171.9	-65.1	-171.2	0	0	0	109.9	F125 Q135 K139 L141 L145	F125-L137 HydrophobicContact CB-CD1 3.39Å; F125-L137 HydrophobicContact CB-CG 3.96Å; F125-L137 HydrophobicContact CD2-CD1 4.33Å; F125-L137 HydrophobicContact CG-CD1 3.88Å; Q135-L137 PolarHBondContact O-N 3.01Å; L137-K139 PolarHBondContact O-N 3.12Å; L137-L141 HydrophobicContact CB-CD2 4.46Å; L137-L141 HydrophobicContact CD1-CD2 4.27Å; L137-L141 HydrophobicContact CD1-CG 4.38Å; L137-L141 HydrophobicContact CD2-CD2 3.98Å; L137-L141 HydrophobicContact CG-CD2 4.48Å; L137-L145 HydrophobicContact CD1-CD1 3.49Å; L137-L145 VanDerWaalsContact CD1-CD1 3.49Å
138	S	86.8	Confident	77.2	Confident	71 Å²	71	115.5 Å²	115.5	50%	0.497	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-56	143.1	175.5	75.7	0	0	0	0	109.9	R136 K140 L141 R142	R136-S138 PolarHBondContact O-N 3.32Å; S138-K140 PolarHBondContact O-N 3.45Å; S138-L141 PolarHBondContact O-N 2.74Å; S138-L141 VanDerWaalsContact OG-CB 3.29Å; S138-L141 WeakPolarHBondContact OG-CB 3.33Å; S138-L141 PolarHBondContact OG-N 3.16Å; S138-L141 VanDerWaalsContact OG-N 3.15Å; S138-R142 PolarHBondContact O-N 3.06Å
139	K	90.1	Very high	78.9	Confident	187 Å²	187	113.5 Å²	113.5	81%	0.813	55%	0.549	S	S	*	.	H	α-helix	trans	-52.3	-35.4	179.3	-172.7	177.2	-177.9	177.9	0	112.2	L137 R143	L137-K139 PolarHBondContact O-N 3.12Å; K139-R143 PolarHBondContact O-N 3.01Å; K139-R143 VanDerWaalsContact O-N 3.17Å
140	K	92.5	Very high	81	Confident	154 Å²	154	110 Å²	110	67%	0.67	53%	0.528	S	S	*	.	H	α-helix	trans	-67	-48.2	176.6	-172.3	178.4	-175.9	178.1	0	111.9	S138 R143 K144	S138-K140 PolarHBondContact O-N 3.45Å; K140-R143 PolarHBondContact O-N 3.45Å; K140-K144 WeakPolarHBondContact O-CG 3.41Å; K140-K144 PolarHBondContact O-N 3.45Å; K140-K144 VanDerWaalsContact O-N 3.08Å
141	L	91.6	Very high	82.9	Confident	74 Å²	74	106.5 Å²	106.5	39%	0.387	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-44.4	179	178.3	58.2	0	0	0	111.2	L137 S138 R143 K144 L145	L137-L141 HydrophobicContact CB-CD2 4.46Å; L137-L141 HydrophobicContact CD1-CD2 4.27Å; L137-L141 HydrophobicContact CD1-CG 4.38Å; L137-L141 HydrophobicContact CD2-CD2 3.98Å; L137-L141 HydrophobicContact CG-CD2 4.48Å; S138-L141 PolarHBondContact O-N 2.74Å; S138-L141 VanDerWaalsContact OG-CB 3.29Å; S138-L141 WeakPolarHBondContact OG-CB 3.33Å; S138-L141 PolarHBondContact OG-N 3.16Å; S138-L141 VanDerWaalsContact OG-N 3.15Å; L141-R143 PolarHBondContact O-N 3.48Å; L141-K144 WeakPolarHBondContact O-CB 3.06Å; L141-K144 PolarHBondContact O-N 2.89Å; L141-K144 VanDerWaalsContact O-N 3.13Å; L141-L145 HydrophobicContact CD1-CD1 4.28Å; L141-L145 HydrophobicContact CD1-CG 4.17Å; L141-L145 HydrophobicContact CG-CD1 4.1Å; L141-L145 HydrophobicContact CG-CG 4.44Å; L141-L145 WeakPolarHBondContact O-CG 3.05Å; L141-L145 PolarHBondContact O-N 2.78Å
142	R	92.4	Very high	85	Confident	39 Å²	39	98.1 Å²	98.1	15%	0.147	46%	0.46	C	S	.	.	H	α-helix	trans	-52.4	-52.1	174.4	172.4	175.7	176.6	-157.5	4.1	111.9	L123 E124 F125 S138 K144 L145 Q146	L123-R142 PolarHBondContact O-NE 2.94Å; L123-R142 PolarHBondContact O-NH2 3.18Å; L123-R142 VanDerWaalsContact O-NH2 3.14Å; E124-R142 IonicContact OE1-CZ 2.69Å; E124-R142 IonicContact OE1-NH1 3.59Å; E124-R142 PolarHBondContact OE1-NH1 2.03Å; E124-R142 IonicContact OE1-NH2 2.72Å; E124-R142 PolarHBondContact OE1-NH2 2.95Å; E124-R142 IonicContact OE2-CZ 2.8Å; E124-R142 VanDerWaalsContact OE2-CZ 3.27Å; E124-R142 IonicContact OE2-NE 3.05Å; E124-R142 IonicContact OE2-NH1 3.75Å; E124-R142 PolarHBondContact OE2-NH1 2.65Å; E124-R142 IonicContact OE2-NH2 2.74Å; F125-R142 HydrophobicContact CD2-CB 4.49Å; F125-R142 HydrophobicContact CD2-CG 4.02Å; F125-R142 HydrophobicContact CE2-CG 4.27Å; S138-R142 PolarHBondContact O-N 3.06Å; R142-K144 VanDerWaalsContact C-N 3.32Å; R142-K144 PolarHBondContact O-N 2.88Å; R142-L145 PolarHBondContact O-N 3.39Å; R142-Q146 WeakPolarHBondContact O-CG 3.44Å; R142-Q146 PolarHBondContact O-N 3.34Å
143	R	93.6	Very high	87	Confident	180 Å²	180	96.4 Å²	96.4	68%	0.679	43%	0.433	S	S	*	.	H	α-helix	trans	-61.8	-39.8	179.3	-174.5	178.4	177.3	-173.2	-0.4	112	K139 K140 L141 Q146 M147	K139-R143 PolarHBondContact O-N 3.01Å; K139-R143 VanDerWaalsContact O-N 3.17Å; K140-R143 PolarHBondContact O-N 3.45Å; L141-R143 PolarHBondContact O-N 3.48Å; R143-Q146 PolarHBondContact O-N 2.85Å; R143-M147 WeakPolarHBondContact O-CG 3.35Å; R143-M147 PolarHBondContact O-N 3.34Å
144	K	94.9	Very high	89	Confident	132 Å²	132	90.5 Å²	90.5	57%	0.574	41%	0.408	S	S	*	.	H	α-helix	trans	-62	-43.7	176	-76.2	-175.2	172	-165.1	0	111.9	K140 L141 R142 M147 W148	K140-K144 WeakPolarHBondContact O-CG 3.41Å; K140-K144 PolarHBondContact O-N 3.45Å; K140-K144 VanDerWaalsContact O-N 3.08Å; L141-K144 WeakPolarHBondContact O-CB 3.06Å; L141-K144 PolarHBondContact O-N 2.89Å; L141-K144 VanDerWaalsContact O-N 3.13Å; R142-K144 VanDerWaalsContact C-N 3.32Å; R142-K144 PolarHBondContact O-N 2.88Å; K144-M147 PolarHBondContact O-N 3.3Å; K144-W148 WeakPolarHBondContact O-CB 3.29Å; K144-W148 PolarHBondContact O-N 3.23Å
145	L	94.4	Very high	91	Very high	54 Å²	54	80.9 Å²	80.9	28%	0.283	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-42.2	176.7	-70.7	171.5	0	0	0	111.9	F125 L137 L141 R142 M147 W148 L149	F125-L145 HydrophobicContact CD1-CD1 4.31Å; F125-L145 HydrophobicContact CD2-CD1 4.39Å; F125-L145 HydrophobicContact CE1-CB 4.29Å; F125-L145 HydrophobicContact CE1-CD1 4.27Å; F125-L145 HydrophobicContact CE2-CB 3.84Å; F125-L145 HydrophobicContact CE2-CD1 4.34Å; F125-L145 HydrophobicContact CG-CD1 4.38Å; F125-L145 HydrophobicContact CZ-CB 3.64Å; F125-L145 HydrophobicContact CZ-CD1 4.28Å; L137-L145 HydrophobicContact CD1-CD1 3.49Å; L137-L145 VanDerWaalsContact CD1-CD1 3.49Å; L141-L145 HydrophobicContact CD1-CD1 4.28Å; L141-L145 HydrophobicContact CD1-CG 4.17Å; L141-L145 HydrophobicContact CG-CD1 4.1Å; L141-L145 HydrophobicContact CG-CG 4.44Å; L141-L145 WeakPolarHBondContact O-CG 3.05Å; L141-L145 PolarHBondContact O-N 2.78Å; R142-L145 PolarHBondContact O-N 3.39Å; L145-M147 PolarHBondContact O-N 2.99Å; L145-W148 PolarHBondContact O-N 3.5Å; L145-L149 WeakPolarHBondContact O-CB 3.34Å; L145-L149 WeakPolarHBondContact O-CG 3.4Å; L145-L149 PolarHBondContact O-N 3.36Å
146	Q	95.8	Very high	92.8	Very high	19 Å²	19	73.7 Å²	73.7	9%	0.089	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-44.2	174.8	-70.4	178.2	-35.5	0	0	112.2	M116 I120 K121 L123 F125 R142 R143 W150	M116-Q146 HydrophobicContact CE-CB 4.04Å; M116-Q146 HydrophobicContact SD-CB 4.08Å; I120-Q146 HydrophobicContact CG2-CB 3.99Å; I120-Q146 HydrophobicContact CG2-CG 4.33Å; I120-Q146 VanDerWaalsContact CG2-O 3.29Å; I120-Q146 WeakPolarHBondContact CG2-O 3.33Å; I120-Q146 PolarHBondContact O-NE2 3.5Å; I120-Q146 VanDerWaalsContact O-NE2 3.08Å; K121-Q146 PolarHBondContact O-NE2 2.97Å; L123-Q146 PolarHBondContact O-NE2 3.32Å; F125-Q146 HydrophobicContact CE2-CG 4.03Å; R142-Q146 WeakPolarHBondContact O-CG 3.44Å; R142-Q146 PolarHBondContact O-N 3.34Å; R143-Q146 PolarHBondContact O-N 2.85Å; Q146-W150 WeakPolarHBondContact O-CB 3.48Å; Q146-W150 PolarHBondContact O-N 2.99Å
147	M	95.5	Very high	94.1	Very high	75 Å²	75	67.3 Å²	67.3	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-40.5	176.6	-71.1	-57.8	-54.2	0	0	112.3	M116 R143 K144 L145 W150 S151	M116-M147 HydrophobicContact CE-CG 4.39Å; M116-M147 HydrophobicContact CE-SD 3.48Å; M116-M147 WeakPolarHBondContact CE-SD 3.46Å; R143-M147 WeakPolarHBondContact O-CG 3.35Å; R143-M147 PolarHBondContact O-N 3.34Å; K144-M147 PolarHBondContact O-N 3.3Å; L145-M147 PolarHBondContact O-N 2.99Å; M147-W150 HydrophobicContact CE-CE3 3.82Å; M147-W150 HydrophobicContact CE-CZ3 4.08Å; M147-W150 PolarHBondContact O-N 2.8Å; M147-W150 HydrophobicContact SD-CE3 3.88Å; M147-W150 HydrophobicContact SD-CZ3 4.22Å; M147-S151 WeakPolarHBondContact O-CB 3.41Å; M147-S151 PolarHBondContact O-N 3.06Å
148	W	95.9	Very high	94.7	Very high	138 Å²	138	65.2 Å²	65.2	52%	0.523	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-47	176.1	176.3	82.7	0	0	0	111.5	K144 L145 W150 S151 Q152 V186	K144-W148 WeakPolarHBondContact O-CB 3.29Å; K144-W148 PolarHBondContact O-N 3.23Å; L145-W148 PolarHBondContact O-N 3.5Å; W148-W150 VanDerWaalsContact C-N 3.32Å; W148-W150 PolarHBondContact O-N 2.91Å; W148-S151 PolarHBondContact O-N 2.83Å; W148-Q152 WeakPolarHBondContact O-CB 3.49Å; W148-Q152 PolarHBondContact O-N 3.2Å; W148-V186 HydrophobicContact CH2-CG2 3.84Å; W148-V186 HydrophobicContact CZ3-CG2 4.36Å
149	L	96.6	Very high	95.1	Very high	35 Å²	35	67 Å²	67	18%	0.183	30%	0.299	C	S	.	.	H	α-helix	trans	-57.9	-46.8	174.4	-76.7	172	0	0	0	110.9	I120 L123 F125 L145 S151 Q152 T153	I120-L149 HydrophobicContact CD1-CB 4.32Å; I120-L149 HydrophobicContact CG2-CB 4.15Å; L123-L149 HydrophobicContact CD1-CD1 3.46Å; L123-L149 VanDerWaalsContact CD1-CD1 3.46Å; F125-L149 HydrophobicContact CE1-CD1 4.26Å; F125-L149 HydrophobicContact CZ-CD1 3.87Å; L145-L149 WeakPolarHBondContact O-CB 3.34Å; L145-L149 WeakPolarHBondContact O-CG 3.4Å; L145-L149 PolarHBondContact O-N 3.36Å; L149-S151 PolarHBondContact O-N 3.03Å; L149-Q152 PolarHBondContact O-N 2.94Å; L149-T153 WeakPolarHBondContact O-CG2 3.45Å; L149-T153 PolarHBondContact O-N 3.1Å; L149-T153 PolarHBondContact O-OG1 3.09Å
150	W	97.3	Very high	95.2	Very high	28 Å²	28	61.2 Å²	61.2	11%	0.106	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-45.8	179.2	-172.4	17.3	0	0	0	111.6	P112 G114 M116 I120 Q146 M147 W148 Q152 T153 F154	P112-W150 HydrophobicContact CB-CD2 3.8Å; P112-W150 HydrophobicContact CB-CE3 4.37Å; P112-W150 HydrophobicContact CB-CG 4.21Å; P112-W150 HydrophobicContact CB-CH2 4.2Å; P112-W150 HydrophobicContact CB-CZ2 3.61Å; P112-W150 HydrophobicContact CG-CD2 3.99Å; P112-W150 HydrophobicContact CG-CE3 4.41Å; P112-W150 HydrophobicContact CG-CG 4.16Å; G114-W150 WeakPolarHBondContact O-CH2 3.49Å; G114-W150 WeakPolarHBondContact O-CZ2 3.44Å; M116-W150 HydrophobicContact CB-CD2 4.12Å; M116-W150 HydrophobicContact CB-CE3 3.91Å; M116-W150 HydrophobicContact CB-CH2 4.26Å; M116-W150 HydrophobicContact CB-CZ2 4.44Å; M116-W150 HydrophobicContact CB-CZ3 3.99Å; M116-W150 HydrophobicContact CE-CB 4.44Å; M116-W150 HydrophobicContact CE-CD2 4.33Å; M116-W150 HydrophobicContact CE-CE3 3.59Å; M116-W150 HydrophobicContact CE-CZ3 4.24Å; M116-W150 HydrophobicContact CG-CD2 4.21Å; M116-W150 HydrophobicContact CG-CE3 4.17Å; M116-W150 HydrophobicContact CG-CG 4.47Å; I120-W150 HydrophobicContact CD1-CB 4.14Å; Q146-W150 WeakPolarHBondContact O-CB 3.48Å; Q146-W150 PolarHBondContact O-N 2.99Å; M147-W150 HydrophobicContact CE-CE3 3.82Å; M147-W150 HydrophobicContact CE-CZ3 4.08Å; M147-W150 PolarHBondContact O-N 2.8Å; M147-W150 HydrophobicContact SD-CE3 3.88Å; M147-W150 HydrophobicContact SD-CZ3 4.22Å; W148-W150 VanDerWaalsContact C-N 3.32Å; W148-W150 PolarHBondContact O-N 2.91Å; W150-Q152 PolarHBondContact O-N 2.96Å; W150-T153 PolarHBondContact O-N 3.2Å; W150-F154 WeakPolarHBondContact O-CA 3.38Å; W150-F154 WeakPolarHBondContact O-CB 3.2Å; W150-F154 PolarHBondContact O-N 2.74Å
151	S	96.6	Very high	95.2	Very high	16 Å²	16	57.1 Å²	57.1	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-43.1	175.5	-173.2	0	0	0	0	112.6	R109 M147 W148 L149	R109-S151 VanDerWaalsContact C-OG 3.3Å; R109-S151 WeakPolarHBondContact CB-O 3.3Å; R109-S151 WeakPolarHBondContact O-CA 3.35Å; R109-S151 VanDerWaalsContact O-CB 3.31Å; R109-S151 WeakPolarHBondContact O-CB 3.34Å; R109-S151 PolarHBondContact O-OG 2.85Å; M147-S151 WeakPolarHBondContact O-CB 3.41Å; M147-S151 PolarHBondContact O-N 3.06Å; W148-S151 PolarHBondContact O-N 2.83Å; L149-S151 PolarHBondContact O-N 3.03Å
152	Q	95.2	Very high	95.3	Very high	34 Å²	34	55.6 Å²	55.6	16%	0.159	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-41.6	-179.5	179.3	59.2	16.5	0	0	112.4	R109 W148 L149 W150 V186	R109-Q152 PolarHBondContact NH1-O 2.76Å; R109-Q152 VanDerWaalsContact NH1-O 3.13Å; W148-Q152 WeakPolarHBondContact O-CB 3.49Å; W148-Q152 PolarHBondContact O-N 3.2Å; L149-Q152 PolarHBondContact O-N 2.94Å; W150-Q152 PolarHBondContact O-N 2.96Å; Q152-V186 HydrophobicContact CG-CG2 3.92Å
153	T	97.1	Very high	95.4	Very high	42 Å²	42	56.8 Å²	56.8	26%	0.258	27%	0.268	S	S	.	.	H	α-helix	trans	-93.6	-11.7	-175.7	69.1	0	0	0	0	114.5	L149 W150 C184	L149-T153 WeakPolarHBondContact O-CG2 3.45Å; L149-T153 PolarHBondContact O-N 3.1Å; L149-T153 PolarHBondContact O-OG1 3.09Å; W150-T153 PolarHBondContact O-N 3.2Å; T153-C184 VanDerWaalsContact CA-O 3.23Å; T153-C184 WeakPolarHBondContact CA-O 3.39Å; T153-C184 WeakPolarHBondContact CG2-O 3.31Å
154	F	97.5	Very high	95.4	Very high	35 Å²	35	49.3 Å²	49.3	15%	0.154	24%	0.241	C	C	.	.			trans	-67.5	136.3	177.3	178.2	-106.3	0	0	0	110.7	R109 P112 S113 W150 P156	R109-F154 HydrophobicContact CG-CD1 4.33Å; R109-F154 PolarHBondContact NH1-O 3.02Å; P112-F154 HydrophobicContact CB-CB 4.16Å; P112-F154 HydrophobicContact CB-CD1 4.02Å; P112-F154 HydrophobicContact CB-CD2 3.85Å; P112-F154 HydrophobicContact CB-CE1 4.36Å; P112-F154 HydrophobicContact CB-CE2 4.21Å; P112-F154 HydrophobicContact CB-CG 3.75Å; P112-F154 HydrophobicContact CB-CZ 4.45Å; P112-F154 HydrophobicContact CG-CB 4.25Å; P112-F154 HydrophobicContact CG-CD1 4.4Å; P112-F154 HydrophobicContact CG-CG 4.26Å; S113-F154 WeakPolarHBondContact OG-CZ 3.47Å; W150-F154 WeakPolarHBondContact O-CA 3.38Å; W150-F154 WeakPolarHBondContact O-CB 3.2Å; W150-F154 PolarHBondContact O-N 2.74Å; F154-P156 HydrophobicContact CE1-CB 3.9Å
155	C	97.5	Very high	95.4	Very high	7 Å²	7	44 Å²	44	5%	0.047	22%	0.224	C	C	.	.			trans	-117.9	98.5	-178.8	-71.2	0	0	0	0	108.9	C192 C228 C230	C155-C192 VanDerWaalsContact CA-SG 3.56Å; C155-C192 HydrophobicContact CB-CB 3.62Å; C155-C192 WeakPolarHBondContact CB-SG 3.45Å; C155-C192 VanDerWaalsContact SG-CA 3.51Å; C155-C192 WeakPolarHBondContact SG-CB 3.26Å; C155-C192 CovalentContact SG-SG 2.03Å; C155-C192 PolarHBondContact SG-SG 3.45Å; C155-C228 HydrophobicContact CB-CB 3.66Å; C155-C230 PolarHBondContact SG-N 3.02Å
156	P	97.1	Very high	95.4	Very high	7 Å²	7	44 Å²	44	5%	0.045	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-67.6	152.4	176.3	28.2	-33.1	0	0	0	111.2	D105 L108 R109 F154	D105-P156 WeakPolarHBondContact OD1-CG 3.31Å; L108-P156 HydrophobicContact CB-CB 3.79Å; L108-P156 HydrophobicContact CB-CG 4.03Å; L108-P156 HydrophobicContact CD1-CB 3.89Å; L108-P156 HydrophobicContact CD1-CG 4.4Å; L108-P156 HydrophobicContact CG-CB 4.49Å; R109-P156 HydrophobicContact CG-CG 4.43Å; F154-P156 HydrophobicContact CE1-CB 3.9Å
157	V	96.3	Very high	95.4	Very high	27 Å²	27	44 Å²	44	16%	0.164	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.9	165.8	-177.6	0	0	0	0	107.5	Y159	V157-Y159 HydrophobicContact CB-CE2 4.25Å; V157-Y159 HydrophobicContact CG1-CD1 4.42Å; V157-Y159 HydrophobicContact CG1-CD2 4.4Å; V157-Y159 HydrophobicContact CG1-CE1 3.94Å; V157-Y159 HydrophobicContact CG1-CE2 3.94Å
158	L	95.1	Very high	95.5	Very high	16 Å²	16	41 Å²	41	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.8	173.3	-56.7	-176.4	0	0	0	108.4	L101 L104 L108 G176 S177 F179	L101-L158 HydrophobicContact CD2-CD1 4.18Å; L104-L158 HydrophobicContact CD2-CD2 4.22Å; L104-L158 HydrophobicContact CG-CD2 4.25Å; L108-L158 HydrophobicContact CD1-CD2 3.59Å; L158-G176 CarbonylContact O-C 3.59Å; L158-G176 WeakPolarHBondContact O-CA 3.11Å; L158-S177 PolarHBondContact N-O 2.81Å; L158-S177 PolarHBondContact O-N 3.19Å; L158-F179 HydrophobicContact CD1-CB 3.99Å; L158-F179 HydrophobicContact CD1-CD2 4.07Å; L158-F179 HydrophobicContact CD1-CG 4.44Å
159	Y	93.3	Very high	95.6	Very high	109 Å²	109	35.1 Å²	35.1	43%	0.427	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.4	179.8	-72.5	-73.3	0	0	0	111	F78 V157 K174 V175	F78-Y159 HydrophobicContact CE1-CD1 4.23Å; F78-Y159 AromaticContact CE1-CE1 3.69Å; F78-Y159 HydrophobicContact CE1-CE1 3.69Å; F78-Y159 HydrophobicContact CZ-CE1 4.26Å; V157-Y159 HydrophobicContact CB-CE2 4.25Å; V157-Y159 HydrophobicContact CG1-CD1 4.42Å; V157-Y159 HydrophobicContact CG1-CD2 4.4Å; V157-Y159 HydrophobicContact CG1-CE1 3.94Å; V157-Y159 HydrophobicContact CG1-CE2 3.94Å; Y159-K174 HydrophobicContact CD1-CD 4.41Å; Y159-K174 HydrophobicContact CD1-CG 4.04Å; Y159-K174 HydrophobicContact CG-CD 4.33Å; Y159-K174 HydrophobicContact CG-CG 4.29Å; Y159-V175 WeakPolarHBondContact CA-O 3.24Å
160	A	92.7	Very high	95.6	Very high	65 Å²	65	33.4 Å²	33.4	54%	0.537	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.7	172.4	0	0	0	0	0	109.8	K174 V175	A160-K174 CarbonylContact O-C 3.57Å; A160-K174 WeakPolarHBondContact O-CA 3.45Å; A160-V175 PolarHBondContact N-O 3.09Å; A160-V175 PolarHBondContact O-N 2.82Å
161	W	93.2	Very high	95.6	Very high	67 Å²	67	36.7 Å²	36.7	25%	0.254	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128	173.7	-71.1	104.4	0	0	0	110.1	A80 P84 D86 V173 K174	A80-W161 HydrophobicContact CB-CH2 3.83Å; A80-W161 HydrophobicContact CB-CZ3 3.77Å; P84-W161 HydrophobicContact CB-CD2 4.19Å; P84-W161 HydrophobicContact CB-CG 4.4Å; P84-W161 HydrophobicContact CB-CZ2 3.92Å; P84-W161 HydrophobicContact CG-CB 3.93Å; P84-W161 HydrophobicContact CG-CD2 3.14Å; P84-W161 HydrophobicContact CG-CE3 3.72Å; P84-W161 HydrophobicContact CG-CG 3.23Å; P84-W161 HydrophobicContact CG-CH2 4.24Å; P84-W161 HydrophobicContact CG-CZ2 3.73Å; P84-W161 HydrophobicContact CG-CZ3 4.23Å; P84-W161 VanDerWaalsContact CG-NE1 3.28Å; D86-W161 PolarHBondContact OD2-NE1 2.63Å; W161-V173 VanDerWaalsContact CE3-C 3.49Å; W161-K174 HydrophobicContact CD2-CB 4.1Å; W161-K174 HydrophobicContact CE3-CB 3.98Å; W161-K174 HydrophobicContact CH2-CB 4.37Å; W161-K174 HydrophobicContact CZ2-CB 4.49Å; W161-K174 VanDerWaalsContact CZ2-CE 3.42Å; W161-K174 HydrophobicContact CZ3-CB 4.12Å
162	N	93	Very high	95.5	Very high	43 Å²	43	37.4 Å²	37.4	23%	0.23	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.8	176.3	-164.1	37.9	0	0	0	110.4	D45 Y172 V173 V175	D45-N162 PolarHBondContact OD1-ND2 2.94Å; D45-N162 VanDerWaalsContact OD1-ND2 3.1Å; N162-Y172 WeakPolarHBondContact O-CA 3.33Å; N162-V173 HydrophobicContact CB-CG2 4.39Å; N162-V173 PolarHBondContact N-O 2.69Å; N162-V173 PolarHBondContact O-N 2.72Å; N162-V175 HydrophobicContact CB-CB 4.5Å; N162-V175 HydrophobicContact CB-CG2 3.69Å
163	D	94.5	Very high	95.5	Very high	64 Å²	64	35.8 Å²	35.8	34%	0.342	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.3	174	-177.7	-3.7	0	0	0	109.5	G165 R171 Y172	D163-G165 VanDerWaalsContact C-N 3.29Å; D163-G165 WeakPolarHBondContact OD1-CA 3.44Å; D163-G165 PolarHBondContact OD1-N 2.79Å; D163-R171 WeakPolarHBondContact OD1-CG 3.19Å; D163-R171 IonicContact OD1-CZ 2.96Å; D163-R171 IonicContact OD1-NE 3.49Å; D163-R171 PolarHBondContact OD1-NE 2.83Å; D163-R171 IonicContact OD1-NH2 2.94Å; D163-R171 IonicContact OD2-CZ 3.54Å; D163-R171 VanDerWaalsContact OD2-CZ 3.27Å; D163-R171 IonicContact OD2-NE 2.72Å; D163-R171 PolarHBondContact OD2-NE 3.02Å; D163-R171 IonicContact OD2-NH2 2.85Å; D163-R171 PolarHBondContact OD2-NH2 3.34Å; D163-Y172 HydrophobicContact CB-CD1 4Å; D163-Y172 HydrophobicContact CB-CE1 3.73Å
164	L	94.2	Very high	95.4	Very high	22 Å²	22	36 Å²	36	12%	0.115	18%	0.184	C	C	.	.			trans	-80.4	-10.8	179	-58.8	-179	0	0	0	113.2	F168 R171 V173 Y222	L164-F168 HydrophobicContact CB-CB 3.69Å; L164-F168 HydrophobicContact CB-CD1 4.48Å; L164-F168 HydrophobicContact CB-CD2 3.6Å; L164-F168 HydrophobicContact CB-CE2 4.22Å; L164-F168 HydrophobicContact CB-CG 3.7Å; L164-F168 HydrophobicContact CD1-CB 4.06Å; L164-F168 HydrophobicContact CD1-CD1 4.03Å; L164-F168 HydrophobicContact CD1-CG 4.01Å; L164-F168 WeakPolarHBondContact O-CD2 3.44Å; L164-R171 WeakPolarHBondContact CB-O 3.29Å; L164-R171 PolarHBondContact N-O 2.79Å; L164-V173 HydrophobicContact CD1-CB 4.41Å; L164-V173 HydrophobicContact CD1-CG1 3.76Å; L164-V173 HydrophobicContact CD1-CG2 3.72Å; L164-V173 HydrophobicContact CD2-CG2 3.92Å; L164-V173 HydrophobicContact CG-CG1 4.49Å; L164-V173 HydrophobicContact CG-CG2 3.77Å; L164-Y222 HydrophobicContact CD1-CD2 4.4Å; L164-Y222 HydrophobicContact CD1-CE2 4.32Å; L164-Y222 HydrophobicContact CD2-CE2 3.7Å
165	G	94	Very high	95.3	Very high	22 Å²	22	36 Å²	36	23%	0.227	19%	0.186	C	C	.	.			trans	88.6	176.2	-177.4	0	0	0	0	0	115	D163 R167 F168	D163-G165 VanDerWaalsContact C-N 3.29Å; D163-G165 WeakPolarHBondContact OD1-CA 3.44Å; D163-G165 PolarHBondContact OD1-N 2.79Å; G165-R167 PolarHBondContact O-N 3.46Å; G165-R167 VanDerWaalsContact O-N 3.16Å; G165-F168 PolarHBondContact O-N 3.25Å; G165-F168 VanDerWaalsContact O-N 3.17Å
166	S	94.9	Very high	95.1	Very high	53 Å²	53	35.7 Å²	35.7	37%	0.371	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.9	-172	55	0	0	0	0	114.7	P56 F168	P56-S166 VanDerWaalsContact CG-O 3.23Å; P56-S166 WeakPolarHBondContact CG-O 3.39Å; S166-F168 PolarHBondContact O-N 2.79Å
167	R	96.5	Very high	95	Very high	19 Å²	19	38.4 Å²	38.4	7%	0.072	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.4	-179.4	-62.4	-179.7	-173.5	161.3	12.7	113	E48 H49 D51 F54 D55 G165 R204 W205 W217	E48-R167 VanDerWaalsContact OE2-CD 3.27Å; E48-R167 WeakPolarHBondContact OE2-CD 3.27Å; E48-R167 IonicContact OE2-CZ 3.23Å; E48-R167 IonicContact OE2-NE 2.76Å; E48-R167 IonicContact OE2-NH1 2.68Å; E48-R167 PolarHBondContact OE2-NH1 2.97Å; H49-R167 VanDerWaalsContact O-CZ 3.3Å; H49-R167 PolarHBondContact O-NH1 3.26Å; H49-R167 PolarHBondContact O-NH2 3.14Å; D51-R167 PolarHBondContact O-NH2 2.81Å; F54-R167 PolarHBondContact O-NE 3.21Å; D55-R167 IonicContact OD1-CZ 3.38Å; D55-R167 VanDerWaalsContact OD1-CZ 3.23Å; D55-R167 IonicContact OD1-NE 3.4Å; D55-R167 PolarHBondContact OD1-NE 3.2Å; D55-R167 IonicContact OD1-NH2 2.68Å; D55-R167 PolarHBondContact OD1-NH2 3.47Å; G165-R167 PolarHBondContact O-N 3.46Å; G165-R167 VanDerWaalsContact O-N 3.16Å; R167-R204 CarbonylContact O-C 3.59Å; R167-R204 WeakPolarHBondContact O-CA 3.33Å; R167-R204 WeakPolarHBondContact O-CD 3.2Å; R167-W205 HydrophobicContact CB-CB 4.28Å; R167-W205 PolarHBondContact O-N 2.04Å; R167-W217 WeakPolarHBondContact O-CZ3 3.46Å
168	F	97.4	Very high	95	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.5	174.1	-70.4	-91.8	0	0	0	110.9	L46 L164 G165 S166 V202 L203 R204 I220	L46-F168 HydrophobicContact CD1-CE2 4.23Å; L46-F168 HydrophobicContact CD1-CZ 3.75Å; L164-F168 HydrophobicContact CB-CB 3.69Å; L164-F168 HydrophobicContact CB-CD1 4.48Å; L164-F168 HydrophobicContact CB-CD2 3.6Å; L164-F168 HydrophobicContact CB-CE2 4.22Å; L164-F168 HydrophobicContact CB-CG 3.7Å; L164-F168 HydrophobicContact CD1-CB 4.06Å; L164-F168 HydrophobicContact CD1-CD1 4.03Å; L164-F168 HydrophobicContact CD1-CG 4.01Å; L164-F168 WeakPolarHBondContact O-CD2 3.44Å; G165-F168 PolarHBondContact O-N 3.25Å; G165-F168 VanDerWaalsContact O-N 3.17Å; S166-F168 PolarHBondContact O-N 2.79Å; F168-V202 HydrophobicContact CD1-CG2 4.07Å; F168-L203 CarbonylContact C-O 3.56Å; F168-L203 VanDerWaalsContact CA-O 3.28Å; F168-L203 WeakPolarHBondContact CA-O 3.36Å; F168-R204 HydrophobicContact CE1-CB 4.44Å; F168-I220 HydrophobicContact CD1-CD1 4.3Å; F168-I220 HydrophobicContact CE1-CD1 3.65Å
169	W	97.8	Very high	95	Very high	14 Å²	14	38 Å²	38	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	129.9	172.9	-170.5	98.3	0	0	0	110.9	L66 R67 L70 Y74 T81 L203 W217	L66-W169 VanDerWaalsContact C-CH2 3.46Å; L66-W169 VanDerWaalsContact C-CZ3 3.42Å; L66-W169 HydrophobicContact CB-CD2 3.51Å; L66-W169 VanDerWaalsContact CB-CE2 3.45Å; L66-W169 HydrophobicContact CB-CE3 3.66Å; L66-W169 HydrophobicContact CB-CG 4.19Å; L66-W169 HydrophobicContact CB-CH2 3.81Å; L66-W169 HydrophobicContact CB-CZ2 3.62Å; L66-W169 HydrophobicContact CB-CZ3 3.8Å; L66-W169 HydrophobicContact CD1-CB 4.33Å; L66-W169 HydrophobicContact CD1-CD2 3.83Å; L66-W169 HydrophobicContact CD1-CG 3.59Å; L66-W169 HydrophobicContact CG-CD2 4.23Å; L66-W169 HydrophobicContact CG-CG 4.42Å; L66-W169 WeakPolarHBondContact O-CZ3 3.46Å; R67-W169 HydrophobicContact CB-CH2 4.07Å; R67-W169 HydrophobicContact CG-CH2 3.42Å; R67-W169 VanDerWaalsContact CG-CH2 3.42Å; R67-W169 HydrophobicContact CG-CZ2 3.85Å; L70-W169 HydrophobicContact CB-CZ3 4Å; L70-W169 HydrophobicContact CD2-CZ3 3.93Å; Y74-W169 HydrophobicContact CD2-CH2 4.34Å; Y74-W169 HydrophobicContact CE2-CH2 4.45Å; T81-W169 HydrophobicContact CG2-CZ2 3.93Å; W169-L203 HydrophobicContact CB-CB 4.23Å; W169-L203 HydrophobicContact CD2-CD1 4.39Å; W169-L203 HydrophobicContact CE3-CD1 3.59Å; W169-L203 HydrophobicContact CE3-CG 4.09Å; W169-L203 HydrophobicContact CZ3-CD1 4.19Å; W169-L203 PolarHBondContact N-O 2.83Å; W169-L203 WeakPolarHBondContact O-CA 3.44Å; W169-L203 WeakPolarHBondContact O-CB 3.41Å; W169-L203 PolarHBondContact O-N 2.72Å; W169-W217 HydrophobicContact CB-CE3 4.25Å; W169-W217 HydrophobicContact CB-CH2 3.78Å; W169-W217 HydrophobicContact CB-CZ2 4.35Å; W169-W217 HydrophobicContact CB-CZ3 3.72Å
170	P	96.7	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	S	Bend	cis	-61.7	148.2	-9.2	-22	36.6	0	0	0	111.6	Y74 M79 A80 T81 Y172	Y74-P170 HydrophobicContact CD2-CG 3.89Å; Y74-P170 HydrophobicContact CE2-CG 3.56Å; M79-P170 HydrophobicContact CB-CB 4.28Å; M79-P170 HydrophobicContact CB-CG 4Å; M79-P170 HydrophobicContact SD-CG 4.37Å; A80-P170 VanDerWaalsContact O-CB 3.25Å; A80-P170 WeakPolarHBondContact O-CB 3.49Å; T81-P170 HydrophobicContact CG2-CB 4.2Å; P170-Y172 PolarHBondContact O-N 2.83Å
171	R	96.1	Very high	95.2	Very high	97 Å²	97	41.6 Å²	41.6	37%	0.366	22%	0.215	S	C	.	.	S	Bend	trans	-67.5	-36.2	-172.1	174.8	172.6	176.4	-173.1	-3.3	112.6	D163 L164	D163-R171 WeakPolarHBondContact OD1-CG 3.19Å; D163-R171 IonicContact OD1-CZ 2.96Å; D163-R171 IonicContact OD1-NE 3.49Å; D163-R171 PolarHBondContact OD1-NE 2.83Å; D163-R171 IonicContact OD1-NH2 2.94Å; D163-R171 IonicContact OD2-CZ 3.54Å; D163-R171 VanDerWaalsContact OD2-CZ 3.27Å; D163-R171 IonicContact OD2-NE 2.72Å; D163-R171 PolarHBondContact OD2-NE 3.02Å; D163-R171 IonicContact OD2-NH2 2.85Å; D163-R171 PolarHBondContact OD2-NH2 3.34Å; L164-R171 WeakPolarHBondContact CB-O 3.29Å; L164-R171 PolarHBondContact N-O 2.79Å
172	Y	96.1	Very high	95.2	Very high	30 Å²	30	42.2 Å²	42.2	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.6	-176.5	-57.8	-87.6	0	0	0	110.3	M79 A80 T81 S82 P83 N162 D163 P170	M79-Y172 WeakPolarHBondContact CA-O 3.27Å; A80-Y172 PolarHBondContact N-O 2.99Å; A80-Y172 PolarHBondContact O-N 3.09Å; T81-Y172 WeakPolarHBondContact O-CD2 3.19Å; T81-Y172 WeakPolarHBondContact O-CE2 3.33Å; S82-Y172 WeakPolarHBondContact O-CD2 3.47Å; P83-Y172 HydrophobicContact CB-CE1 4.17Å; P83-Y172 HydrophobicContact CB-CE2 4.48Å; P83-Y172 HydrophobicContact CG-CE1 4.12Å; P83-Y172 HydrophobicContact CG-CE2 3.97Å; P83-Y172 WeakPolarHBondContact CG-OH 3.48Å; P83-Y172 VanDerWaalsContact N-CE2 3.32Å; N162-Y172 WeakPolarHBondContact O-CA 3.33Å; D163-Y172 HydrophobicContact CB-CD1 4Å; D163-Y172 HydrophobicContact CB-CE1 3.73Å; P170-Y172 PolarHBondContact O-N 2.83Å
173	V	95.3	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.3	176.4	-63.1	0	0	0	0	110.5	F78 W161 N162 L164 V175 L200 V202 Y222	F78-V173 CarbonylContact O-C 3.58Å; F78-V173 VanDerWaalsContact O-CA 3.26Å; F78-V173 WeakPolarHBondContact O-CA 3.36Å; W161-V173 VanDerWaalsContact CE3-C 3.49Å; N162-V173 HydrophobicContact CB-CG2 4.39Å; N162-V173 PolarHBondContact N-O 2.69Å; N162-V173 PolarHBondContact O-N 2.72Å; L164-V173 HydrophobicContact CD1-CB 4.41Å; L164-V173 HydrophobicContact CD1-CG1 3.76Å; L164-V173 HydrophobicContact CD1-CG2 3.72Å; L164-V173 HydrophobicContact CD2-CG2 3.92Å; L164-V173 HydrophobicContact CG-CG1 4.49Å; L164-V173 HydrophobicContact CG-CG2 3.77Å; V173-V175 HydrophobicContact CG2-CG2 3.75Å; V173-L200 HydrophobicContact CB-CD1 4.27Å; V173-L200 HydrophobicContact CG1-CD1 4.45Å; V173-V202 HydrophobicContact CG1-CG1 4.11Å; V173-Y222 HydrophobicContact CG2-CE1 4.36Å
174	K	94.7	Very high	95.6	Very high	48 Å²	48	38 Å²	38	21%	0.209	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	114.6	175	-169	176	-73.9	162.3	0	108.9	G77 F78 Y159 A160 W161	G77-K174 WeakPolarHBondContact O-CD 3.36Å; G77-K174 WeakPolarHBondContact O-CE 3.5Å; G77-K174 PolarHBondContact O-NZ 2.81Å; F78-K174 HydrophobicContact CD1-CB 4.01Å; F78-K174 WeakPolarHBondContact CD1-O 3.26Å; F78-K174 PolarHBondContact O-N 2.79Å; Y159-K174 HydrophobicContact CD1-CD 4.41Å; Y159-K174 HydrophobicContact CD1-CG 4.04Å; Y159-K174 HydrophobicContact CG-CD 4.33Å; Y159-K174 HydrophobicContact CG-CG 4.29Å; A160-K174 CarbonylContact O-C 3.57Å; A160-K174 WeakPolarHBondContact O-CA 3.45Å; W161-K174 HydrophobicContact CD2-CB 4.1Å; W161-K174 HydrophobicContact CE3-CB 3.98Å; W161-K174 HydrophobicContact CH2-CB 4.37Å; W161-K174 HydrophobicContact CZ2-CB 4.49Å; W161-K174 VanDerWaalsContact CZ2-CE 3.42Å; W161-K174 HydrophobicContact CZ3-CB 4.12Å
175	V	94	Very high	95.7	Very high	33 Å²	33	37.5 Å²	37.5	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.1	-176	-173.9	0	0	0	0	109.5	Y159 A160 N162 V173 Y222 I224	Y159-V175 WeakPolarHBondContact CA-O 3.24Å; A160-V175 PolarHBondContact N-O 3.09Å; A160-V175 PolarHBondContact O-N 2.82Å; N162-V175 HydrophobicContact CB-CB 4.5Å; N162-V175 HydrophobicContact CB-CG2 3.69Å; V173-V175 HydrophobicContact CG2-CG2 3.75Å; V175-Y222 HydrophobicContact CG2-CE1 4.39Å; V175-I224 HydrophobicContact CG1-CG2 4.37Å; V175-I224 HydrophobicContact CG2-CG2 4.31Å
176	G	94.1	Very high	95.8	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	148.2	172.3	0	0	0	0	0	112.1	L158 I225	L158-G176 CarbonylContact O-C 3.59Å; L158-G176 WeakPolarHBondContact O-CA 3.11Å; G176-I225 WeakPolarHBondContact O-CD1 3.33Å
177	S	95.6	Very high	95.8	Very high	63 Å²	63	43.9 Å²	43.9	44%	0.441	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.9	174.2	-175.7	0	0	0	0	110.8	L158	L158-S177 PolarHBondContact N-O 2.81Å; L158-S177 PolarHBondContact O-N 3.19Å
178	C	96.2	Very high	95.8	Very high	14 Å²	14	51 Å²	51	10%	0.095	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.8	176.4	-54.8	0	0	0	0	110.6	S180 C192 P194 C228	C178-S180 PolarHBondContact O-N 3.43Å; C178-C192 HydrophobicContact CB-CB 4.22Å; C178-P194 VanDerWaalsContact SG-N 3.38Å; C178-C228 WeakPolarHBondContact CA-SG 3.47Å; C178-C228 HydrophobicContact CB-CB 3.9Å; C178-C228 WeakPolarHBondContact CB-SG 3.43Å; C178-C228 WeakPolarHBondContact SG-CB 3.37Å; C178-C228 CovalentContact SG-SG 2.03Å; C178-C228 PolarHBondContact SG-SG 3.12Å
179	F	95.7	Very high	95.8	Very high	22 Å²	22	53.3 Å²	53.3	10%	0.096	29%	0.29	C	S	.	.			trans	-77.9	111.9	176.1	-171.1	-102.5	0	0	0	111.8	L101 A102 D105 L158 K181 R182 C192	L101-F179 HydrophobicContact CB-CE2 4.48Å; A102-F179 HydrophobicContact CB-CE2 4.34Å; A102-F179 HydrophobicContact CB-CZ 3.84Å; D105-F179 HydrophobicContact CB-CB 4.16Å; D105-F179 HydrophobicContact CB-CD1 3.79Å; D105-F179 HydrophobicContact CB-CD2 4.18Å; D105-F179 HydrophobicContact CB-CE1 4.17Å; D105-F179 HydrophobicContact CB-CG 3.78Å; D105-F179 WeakPolarHBondContact OD1-CB 3.35Å; D105-F179 WeakPolarHBondContact OD2-CD1 3.45Å; L158-F179 HydrophobicContact CD1-CB 3.99Å; L158-F179 HydrophobicContact CD1-CD2 4.07Å; L158-F179 HydrophobicContact CD1-CG 4.44Å; F179-K181 HydrophobicContact CE1-CB 4Å; F179-K181 HydrophobicContact CE2-CB 4.12Å; F179-K181 HydrophobicContact CE2-CG 4.12Å; F179-K181 HydrophobicContact CZ-CB 3.66Å; F179-K181 HydrophobicContact CZ-CG 4.17Å; F179-R182 HydrophobicContact CD1-CG 3.97Å; F179-R182 HydrophobicContact CE1-CB 4.29Å; F179-R182 HydrophobicContact CE1-CG 3.79Å; F179-C192 WeakPolarHBondContact O-CB 3.48Å
180	S	94.5	Very high	95.8	Very high	67 Å²	67	55.6 Å²	55.6	47%	0.469	30%	0.302	S	S	.	.			trans	-113.4	8.1	-172.9	60	0	0	0	0	114.8	C178 R182	C178-S180 PolarHBondContact O-N 3.43Å; S180-R182 VanDerWaalsContact C-N 3.29Å; S180-R182 PolarHBondContact O-N 3.24Å
181	K	94.3	Very high	95.8	Very high	181 Å²	181	57.6 Å²	57.6	79%	0.787	32%	0.315	S	S	*	.	S	Bend	trans	-82.2	-1.2	-178.6	-55.6	-60.5	-174	-178.9	0	114.3	F179	F179-K181 HydrophobicContact CE1-CB 4Å; F179-K181 HydrophobicContact CE2-CB 4.12Å; F179-K181 HydrophobicContact CE2-CG 4.12Å; F179-K181 HydrophobicContact CZ-CB 3.66Å; F179-K181 HydrophobicContact CZ-CG 4.17Å
182	R	94.4	Very high	95.9	Very high	81 Å²	81	53.2 Å²	53.2	31%	0.306	30%	0.298	S	S	.	.	S	Bend	trans	-138.3	155.2	175.6	71.6	-178.4	-64.4	-85.9	1.3	111.5	D105 R109 F179 S180	D105-R182 WeakPolarHBondContact OD2-CD 3.2Å; R109-R182 VanDerWaalsContact CZ-NH1 3.27Å; F179-R182 HydrophobicContact CD1-CG 3.97Å; F179-R182 HydrophobicContact CE1-CB 4.29Å; F179-R182 HydrophobicContact CE1-CG 3.79Å; S180-R182 VanDerWaalsContact C-N 3.29Å; S180-R182 PolarHBondContact O-N 3.24Å
183	S	97.1	Very high	96	Very high	19 Å²	19	55.5 Å²	55.5	13%	0.133	31%	0.309	C	S	.	.			trans	-67.7	138.9	170.1	175.6	0	0	0	0	110.9	S185 E188 G189 M190	S183-S185 PolarHBondContact OG-N 3.27Å; S183-S185 PolarHBondContact OG-O 3.43Å; S183-S185 PolarHBondContact OG-OG 3.1Å; S183-S185 VanDerWaalsContact OG-OG 3.05Å; S183-E188 WeakPolarHBondContact OG-CA 3.3Å; S183-G189 PolarHBondContact OG-N 3.07Å; S183-M190 WeakPolarHBondContact CA-O 3.4Å; S183-M190 PolarHBondContact OG-O 2.79Å
184	C	97.3	Very high	96.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.323	C	S	.	.			trans	-99.7	8.4	170.6	58.3	0	0	0	0	112.6	T153 M190 V191 C230	T153-C184 VanDerWaalsContact CA-O 3.23Å; T153-C184 WeakPolarHBondContact CA-O 3.39Å; T153-C184 WeakPolarHBondContact CG2-O 3.31Å; C184-M190 PolarHBondContact N-O 2.65Å; C184-M190 VanDerWaalsContact SG-C 3.55Å; C184-M190 PolarHBondContact SG-O 3.24Å; C184-M190 VanDerWaalsContact SG-O 3.36Å; C184-V191 VanDerWaalsContact SG-CA 3.56Å; C184-C230 HydrophobicContact CB-CB 3.82Å; C184-C230 WeakPolarHBondContact CB-SG 3.29Å; C184-C230 PolarHBondContact O-SG 3.2Å; C184-C230 WeakPolarHBondContact SG-CA 3.36Å; C184-C230 WeakPolarHBondContact SG-CB 3.42Å; C184-C230 CovalentContact SG-SG 2.03Å; C184-C230 PolarHBondContact SG-SG 3.17Å
185	S	97.3	Very high	96.2	Very high	11 Å²	11	58 Å²	58	8%	0.077	33%	0.331	C	S	.	.	S	Bend	trans	-125.2	162.4	-173.1	52.1	0	0	0	0	112.6	S183 P187 G189 M190	S183-S185 PolarHBondContact OG-N 3.27Å; S183-S185 PolarHBondContact OG-O 3.43Å; S183-S185 PolarHBondContact OG-OG 3.1Å; S183-S185 VanDerWaalsContact OG-OG 3.05Å; S185-P187 CarbonylContact C-O 3.59Å; S185-P187 WeakPolarHBondContact CB-O 3.44Å; S185-P187 CarbonylContact O-C 3.58Å; S185-P187 PolarHBondContact OG-O 3.13Å; S185-P187 VanDerWaalsContact OG-O 3.13Å; S185-G189 PolarHBondContact OG-N 3.16Å; S185-M190 VanDerWaalsContact OG-CB 3.32Å; S185-M190 WeakPolarHBondContact OG-CB 3.42Å; S185-M190 PolarHBondContact OG-N 3.4Å
186	V	95.6	Very high	96.3	Very high	92 Å²	92	61.7 Å²	61.7	56%	0.558	35%	0.345	S	S	*	.	S	Bend	trans	-130.5	117	173.2	-177.5	0	0	0	0	107.4	W148 Q152	W148-V186 HydrophobicContact CH2-CG2 3.84Å; W148-V186 HydrophobicContact CZ3-CG2 4.36Å; Q152-V186 HydrophobicContact CG-CG2 3.92Å
187	P	96	Very high	96.4	Very high	116 Å²	116	64.2 Å²	64.2	75%	0.753	36%	0.362	S	S	*	.	S	Bend	cis	-64.1	171.1	-6.6	32	-36.9	0	0	0	112.1	S185	S185-P187 CarbonylContact C-O 3.59Å; S185-P187 WeakPolarHBondContact CB-O 3.44Å; S185-P187 CarbonylContact O-C 3.58Å; S185-P187 PolarHBondContact OG-O 3.13Å; S185-P187 VanDerWaalsContact OG-O 3.13Å
188	E	96.2	Very high	96.4	Very high	169 Å²	169	64.5 Å²	64.5	79%	0.79	36%	0.361	S	S	*	.	S	Bend	trans	-63.3	141.6	-179.5	-60.7	-171.7	153.6	0	0	112.5	S183	S183-E188 WeakPolarHBondContact OG-CA 3.3Å
189	G	96.4	Very high	96.4	Very high	61 Å²	61	69.1 Å²	69.1	63%	0.629	38%	0.381	S	S	*	.			trans	164.7	-34.2	175.5	0	0	0	0	0	115	S183 S185	S183-G189 PolarHBondContact OG-N 3.07Å; S185-G189 PolarHBondContact OG-N 3.16Å
190	M	97.9	Very high	96.5	Very high	61 Å²	61	68.8 Å²	68.8	30%	0.3	38%	0.38	S	S	.	.			trans	-90.8	149.6	177.3	-51.5	173.4	69.9	0	0	111.7	S183 C184 S185 C230 S231	S183-M190 WeakPolarHBondContact CA-O 3.4Å; S183-M190 PolarHBondContact OG-O 2.79Å; C184-M190 PolarHBondContact N-O 2.65Å; C184-M190 VanDerWaalsContact SG-C 3.55Å; C184-M190 PolarHBondContact SG-O 3.24Å; C184-M190 VanDerWaalsContact SG-O 3.36Å; S185-M190 VanDerWaalsContact OG-CB 3.32Å; S185-M190 WeakPolarHBondContact OG-CB 3.42Å; S185-M190 PolarHBondContact OG-N 3.4Å; M190-C230 VanDerWaalsContact CB-SG 3.57Å; M190-C230 WeakPolarHBondContact CE-O 3.25Å; M190-S231 WeakPolarHBondContact CA-O 3.4Å; M190-S231 WeakPolarHBondContact CB-O 3.44Å
191	V	97.9	Very high	96.7	Very high	43 Å²	43	66.1 Å²	66.1	26%	0.261	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	160.3	177.8	-64.2	0	0	0	0	111.4	C184 K193 S231	C184-V191 VanDerWaalsContact SG-CA 3.56Å; V191-K193 HydrophobicContact CG2-CG 4.15Å; V191-K193 PolarHBondContact O-N 3.32Å; V191-S231 PolarHBondContact N-O 2.85Å; V191-S231 PolarHBondContact O-N 3.06Å
192	C	97.7	Very high	96.8	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.027	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123	175	-64.9	0	0	0	0	110.2	R109 C155 C178 F179	R109-C192 PolarHBondContact NH2-SG 3.29Å; R109-C192 VanDerWaalsContact NH2-SG 3.38Å; C155-C192 VanDerWaalsContact CA-SG 3.56Å; C155-C192 HydrophobicContact CB-CB 3.62Å; C155-C192 WeakPolarHBondContact CB-SG 3.45Å; C155-C192 VanDerWaalsContact SG-CA 3.51Å; C155-C192 WeakPolarHBondContact SG-CB 3.26Å; C155-C192 CovalentContact SG-SG 2.03Å; C155-C192 PolarHBondContact SG-SG 3.45Å; C178-C192 HydrophobicContact CB-CB 4.22Å; F179-C192 WeakPolarHBondContact O-CB 3.48Å
193	K	97.6	Very high	97	Very high	79 Å²	79	53.6 Å²	53.6	34%	0.343	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.4	176.4	-62.6	-172.5	-175.8	175.9	0	110.7	V191 S195 C228 K229 C232	V191-K193 HydrophobicContact CG2-CG 4.15Å; V191-K193 PolarHBondContact O-N 3.32Å; K193-S195 PolarHBondContact O-N 3.2Å; K193-C228 CarbonylContact O-C 3.17Å; K193-C228 WeakPolarHBondContact O-CA 3.43Å; K193-K229 PolarHBondContact N-O 3.39Å; K193-K229 PolarHBondContact O-N 2.99Å; K193-C232 WeakPolarHBondContact CE-OXT 3.48Å; K193-C232 PolarHBondContact NZ-O 3.11Å; K193-C232 PolarHBondContact NZ-OXT 3.1Å
194	P	97.4	Very high	97	Very high	45 Å²	45	54.8 Å²	54.8	29%	0.292	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	132.4	173.9	-25.1	36.8	0	0	0	111.1	L41 C178 I225	L41-P194 HydrophobicContact CB-CB 4.16Å; L41-P194 HydrophobicContact CB-CG 4.18Å; C178-P194 VanDerWaalsContact SG-N 3.38Å; P194-I225 HydrophobicContact CB-CD1 4.13Å; P194-I225 HydrophobicContact CB-CG1 4.06Å; P194-I225 HydrophobicContact CB-CG2 4.18Å; P194-I225 HydrophobicContact CG-CD1 3.55Å; P194-I225 HydrophobicContact CG-CG1 4.05Å
195	S	96.4	Very high	97	Very high	55 Å²	55	55.6 Å²	55.6	39%	0.385	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-25.2	177.6	59.7	0	0	0	0	113.6	K193 E227	K193-S195 PolarHBondContact O-N 3.2Å; S195-E227 PolarHBondContact N-O 3.42Å; S195-E227 PolarHBondContact OG-O 3.12Å
196	K	96.3	Very high	97	Very high	111 Å²	111	62.4 Å²	62.4	48%	0.483	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.3	171	-58.4	-167.7	-164.6	147.1	0	110.9	S226 E227	K196-S226 VanDerWaalsContact C-OG 3.3Å; K196-S226 PolarHBondContact O-N 3.16Å; K196-S226 PolarHBondContact O-OG 3.17Å; K196-E227 HydrophobicContact CB-CB 3.95Å; K196-E227 HydrophobicContact CB-CG 4.19Å; K196-E227 VanDerWaalsContact CD-CD 3.42Å; K196-E227 HydrophobicContact CD-CG 4.26Å; K196-E227 WeakPolarHBondContact CD-OE1 3.4Å; K196-E227 VanDerWaalsContact CD-OE2 3.25Å; K196-E227 WeakPolarHBondContact CD-OE2 3.45Å; K196-E227 WeakPolarHBondContact CE-OE2 3.4Å; K196-E227 HydrophobicContact CG-CB 4.2Å; K196-E227 HydrophobicContact CG-CG 4.38Å; K196-E227 PolarHBondContact N-O 2.76Å; K196-E227 IonicContact NZ-OE1 3.24Å; K196-E227 PolarHBondContact NZ-OE1 2.85Å; K196-E227 IonicContact NZ-OE2 3.79Å; K196-E227 PolarHBondContact NZ-OE2 3.46Å; K196-E227 PolarHBondContact O-N 2.85Å
197	S	96	Very high	96.9	Very high	54 Å²	54	59.5 Å²	59.5	38%	0.378	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	159.7	173.2	62.3	0	0	0	0	110.5	L41 I224 S226	L41-S197 VanDerWaalsContact CD1-CB 3.4Å; S197-I224 CarbonylContact C-O 3.53Å; S197-I224 WeakPolarHBondContact CA-O 3.39Å; S197-I224 WeakPolarHBondContact CB-O 3.35Å; S197-S226 PolarHBondContact N-OG 3.23Å
198	V	96.5	Very high	96.6	Very high	70 Å²	70	60.8 Å²	60.8	42%	0.424	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	160.8	164.6	-64.1	0	0	0	0	108.4	P223 I224	V198-P223 WeakPolarHBondContact O-CA 3.49Å; V198-I224 HydrophobicContact CG2-CD1 3.86Å; V198-I224 HydrophobicContact CG2-CG1 3.54Å; V198-I224 PolarHBondContact N-O 3.01Å; V198-I224 PolarHBondContact O-N 3.31Å
199	H	96.8	Very high	96.1	Very high	111 Å²	111	60 Å²	60	51%	0.514	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132	178.2	-65.5	-76.3	0	0	0	111.2	Q221 Y222	H199-Q221 HydrophobicContact CB-CB 4.26Å; H199-Q221 VanDerWaalsContact CB-OE1 3.24Å; H199-Y222 WeakPolarHBondContact CA-O 3.45Å
200	L	96.6	Very high	95.6	Very high	14 Å²	14	68.8 Å²	68.8	7%	0.073	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.4	162.9	-62.6	-176.6	0	0	0	108.3	F78 M79 V173 V202 Y222 I224	F78-L200 HydrophobicContact CB-CD1 4.08Å; F78-L200 HydrophobicContact CB-CD2 3.98Å; F78-L200 HydrophobicContact CG-CD2 4.36Å; M79-L200 HydrophobicContact CE-CB 3.83Å; M79-L200 HydrophobicContact CE-CD1 4.47Å; M79-L200 HydrophobicContact CE-CD2 4.17Å; M79-L200 HydrophobicContact CE-CG 4.37Å; V173-L200 HydrophobicContact CB-CD1 4.27Å; V173-L200 HydrophobicContact CG1-CD1 4.45Å; L200-V202 HydrophobicContact CB-CG1 4.37Å; L200-Y222 PolarHBondContact N-O 2.8Å; L200-Y222 PolarHBondContact O-N 2.96Å; L200-I224 HydrophobicContact CD1-CD1 4.04Å; L200-I224 HydrophobicContact CD1-CG2 3.98Å; L200-I224 HydrophobicContact CD2-CD1 4.09Å; L200-I224 HydrophobicContact CG-CD1 3.92Å; L200-I224 HydrophobicContact CG-CG1 4.25Å; L200-I224 HydrophobicContact CG-CG2 4.27Å
201	T	98.1	Very high	94.9	Very high	11 Å²	11	67.8 Å²	67.8	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.1	168	-59.9	0	0	0	0	108.1	L70 H73 M79 P219 I220 Q221	L70-T201 HydrophobicContact CD1-CG2 4.27Å; L70-T201 VanDerWaalsContact CD1-O 3.3Å; L70-T201 WeakPolarHBondContact CD1-O 3.4Å; H73-T201 HydrophobicContact CB-CG2 4.17Å; M79-T201 WeakPolarHBondContact CE-O 3.48Å; T201-P219 HydrophobicContact CG2-CB 4Å; T201-I220 WeakPolarHBondContact CA-O 3.23Å; T201-Q221 PolarHBondContact OG1-NE2 3.29Å; T201-Q221 PolarHBondContact OG1-OE1 3.36Å
202	V	97.5	Very high	94.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	165.6	177	-60.5	0	0	0	0	109.5	M79 F168 V173 L200 P219 I220	M79-V202 HydrophobicContact CE-CG1 4.05Å; F168-V202 HydrophobicContact CD1-CG2 4.07Å; V173-V202 HydrophobicContact CG1-CG1 4.11Å; L200-V202 HydrophobicContact CB-CG1 4.37Å; V202-P219 CarbonylContact O-C 3.48Å; V202-P219 WeakPolarHBondContact O-CA 3.44Å; V202-I220 HydrophobicContact CG2-CD1 3.71Å; V202-I220 HydrophobicContact CG2-CG1 3.64Å; V202-I220 PolarHBondContact N-O 2.87Å; V202-I220 WeakPolarHBondContact O-CG1 3.25Å; V202-I220 PolarHBondContact O-N 3.25Å
203	L	98.3	Very high	93.7	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.3	174.4	-54.5	-179.5	0	0	0	110.2	L66 L69 L70 F168 W169 W217 I218 P219	L66-L203 HydrophobicContact CB-CD1 4.13Å; L66-L203 HydrophobicContact CD2-CD1 3.93Å; L69-L203 HydrophobicContact CB-CD1 4.34Å; L69-L203 HydrophobicContact CD2-CD1 3.97Å; L69-L203 HydrophobicContact CD2-CD2 4.2Å; L69-L203 HydrophobicContact CG-CD1 4.24Å; L69-L203 HydrophobicContact CG-CD2 4.11Å; L70-L203 HydrophobicContact CB-CG 4.45Å; L70-L203 HydrophobicContact CD1-CD2 3.79Å; L70-L203 HydrophobicContact CD1-CG 3.87Å; F168-L203 CarbonylContact C-O 3.56Å; F168-L203 VanDerWaalsContact CA-O 3.28Å; F168-L203 WeakPolarHBondContact CA-O 3.36Å; W169-L203 HydrophobicContact CB-CB 4.23Å; W169-L203 HydrophobicContact CD2-CD1 4.39Å; W169-L203 HydrophobicContact CE3-CD1 3.59Å; W169-L203 HydrophobicContact CE3-CG 4.09Å; W169-L203 HydrophobicContact CZ3-CD1 4.19Å; W169-L203 PolarHBondContact N-O 2.83Å; W169-L203 WeakPolarHBondContact O-CA 3.44Å; W169-L203 WeakPolarHBondContact O-CB 3.41Å; W169-L203 PolarHBondContact O-N 2.72Å; L203-W217 HydrophobicContact CB-CB 4.46Å; L203-W217 HydrophobicContact CB-CD2 4.35Å; L203-W217 HydrophobicContact CB-CE3 3.63Å; L203-W217 HydrophobicContact CB-CZ3 4.26Å; L203-W217 HydrophobicContact CD1-CB 4.38Å; L203-I218 CarbonylContact C-O 3.18Å; L203-I218 WeakPolarHBondContact CA-O 3.48Å; L203-P219 HydrophobicContact CD2-CB 4.43Å
204	R	97.6	Very high	93.4	Very high	43 Å²	43	76.3 Å²	76.3	16%	0.162	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.8	172.3	174.8	64.1	-170	-163.2	-9.4	109.9	E48 R167 F168 R206 W217 I218 I220	E48-R204 IonicContact OE1-CZ 3.93Å; E48-R204 IonicContact OE1-NH1 2.99Å; E48-R204 PolarHBondContact OE1-NH1 2.91Å; E48-R204 IonicContact OE1-NH2 3.6Å; E48-R204 PolarHBondContact OE1-NH2 3.28Å; E48-R204 IonicContact OE2-CZ 2.76Å; E48-R204 IonicContact OE2-NH1 3.57Å; E48-R204 IonicContact OE2-NH2 2.81Å; E48-R204 PolarHBondContact OE2-NH2 3.11Å; R167-R204 CarbonylContact O-C 3.59Å; R167-R204 WeakPolarHBondContact O-CA 3.33Å; R167-R204 WeakPolarHBondContact O-CD 3.2Å; F168-R204 HydrophobicContact CE1-CB 4.44Å; R204-R206 PolarHBondContact O-N 2.89Å; R204-W217 VanDerWaalsContact C-CE3 3.48Å; R204-I218 HydrophobicContact CB-CG1 4.35Å; R204-I218 PolarHBondContact N-O 3.33Å; R204-I218 WeakPolarHBondContact O-CG1 3.28Å; R204-I218 PolarHBondContact O-N 3.49Å; R204-I220 HydrophobicContact CB-CD1 4.32Å; R204-I220 HydrophobicContact CB-CG1 3.97Å; R204-I220 HydrophobicContact CB-CG2 3.75Å
205	W	97.5	Very high	93.3	Very high	18 Å²	18	76 Å²	76	7%	0.068	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	118	170.2	-172.2	-115.9	0	0	0	109.4	P56 D60 R167 C215 W217	P56-W205 HydrophobicContact CB-CD2 3.84Å; P56-W205 HydrophobicContact CB-CE3 4.27Å; P56-W205 HydrophobicContact CB-CG 4.07Å; P56-W205 HydrophobicContact CB-CZ2 4.22Å; P56-W205 HydrophobicContact CG-CG 4.26Å; D60-W205 HydrophobicContact CB-CH2 3.75Å; D60-W205 HydrophobicContact CB-CZ2 4.39Å; D60-W205 HydrophobicContact CB-CZ3 4.07Å; R167-W205 HydrophobicContact CB-CB 4.28Å; R167-W205 PolarHBondContact O-N 2.04Å; W205-C215 HydrophobicContact CD2-CB 4.19Å; W205-C215 HydrophobicContact CH2-CB 3.85Å; W205-C215 HydrophobicContact CZ2-CB 3.19Å; W205-W217 HydrophobicContact CB-CD2 4.49Å; W205-W217 HydrophobicContact CB-CE3 4.08Å; W205-W217 HydrophobicContact CB-CH2 3.92Å; W205-W217 HydrophobicContact CB-CZ2 4.31Å; W205-W217 HydrophobicContact CB-CZ3 3.79Å; W205-W217 AromaticContact CE3-CD1 3.7Å; W205-W217 AromaticContact CE3-CD2 3.75Å; W205-W217 HydrophobicContact CE3-CD2 3.75Å; W205-W217 AromaticContact CE3-CE2 3.59Å; W205-W217 HydrophobicContact CE3-CE3 4.43Å; W205-W217 AromaticContact CE3-CG 3.84Å; W205-W217 HydrophobicContact CE3-CG 3.84Å; W205-W217 HydrophobicContact CE3-CZ2 4.17Å; W205-W217 AromaticContact CE3-NE1 3.56Å; W205-W217 AromaticContact CZ3-CD1 3.62Å; W205-W217 HydrophobicContact CZ3-CD2 4.44Å; W205-W217 HydrophobicContact CZ3-CG 4.15Å; W205-W217 AromaticContact CZ3-NE1 3.62Å
206	R	95.7	Very high	93.3	Very high	154 Å²	154	74.6 Å²	74.6	58%	0.581	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.1	-175.9	-178.5	-177.4	177.6	-173	0.8	110.9	R204 C215 G216 I218	R204-R206 PolarHBondContact O-N 2.89Å; R206-C215 VanDerWaalsContact O-CA 3.24Å; R206-C215 WeakPolarHBondContact O-CA 3.38Å; R206-G216 PolarHBondContact N-O 3.43Å; R206-G216 PolarHBondContact O-N 3.49Å; R206-G216 VanDerWaalsContact O-N 3.09Å; R206-I218 HydrophobicContact CB-CD1 4Å; R206-I218 HydrophobicContact CB-CG1 4.17Å; R206-I218 HydrophobicContact CG-CD1 4.41Å
207	C	94.2	Very high	93.4	Very high	31 Å²	31	70.9 Å²	70.9	21%	0.209	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.9	171.5	-56.8	0	0	0	0	110.9	C215	C207-C215 HydrophobicContact CB-CB 4.08Å; C207-C215 WeakPolarHBondContact CB-SG 3.06Å; C207-C215 WeakPolarHBondContact SG-CB 3.14Å; C207-C215 CovalentContact SG-SG 2.04Å; C207-C215 PolarHBondContact SG-SG 3.28Å
208	Q	89.7	Confident	93.4	Very high	142 Å²	142	71.1 Å²	71.1	66%	0.664	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	-26	-176.4	-64	179	10.1	0	0	113.5	Q213 R214	Q208-Q213 PolarHBondContact N-O 3.02Å; Q208-R214 HydrophobicContact CB-CB 4.41Å; Q208-R214 PolarHBondContact N-O 2.89Å
209	R	86.9	Confident	93.5	Very high	154 Å²	154	71.9 Å²	71.9	58%	0.581	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	155.6	-174.7	-66.8	-70	-176.6	165	-0.6	110.1	Q213	R209-Q213 HydrophobicContact CB-CB 3.92Å; R209-Q213 PolarHBondContact N-O 3.18Å
210	R	84.3	Confident	93.5	Very high	245 Å²	245	68.8 Å²	68.8	93%	0.925	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	147.2	172.2	-64.3	-176.9	-180	178.9	-0.5	109.8
211	G	83.6	Confident	93.5	Very high	39 Å²	39	73.5 Å²	73.5	40%	0.402	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	31	178.1	0	0	0	0	0	114.9	Q213	G211-Q213 VanDerWaalsContact C-N 3.33Å; G211-Q213 PolarHBondContact O-N 2.92Å; G211-Q213 PolarHBondContact O-NE2 3.43Å
212	G	83.3	Confident	93.3	Very high	14 Å²	14	74.2 Å²	74.2	14%	0.144	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	30.8	173.3	0	0	0	0	0	114.5	C215	G212-C215 PolarHBondContact O-SG 3.49Å
213	Q	87.5	Confident	93.3	Very high	122 Å²	122	75.5 Å²	75.5	57%	0.57	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	149.6	-179.6	-57.9	-59.8	-51.3	0	0	111.5	Q208 R209 G211	Q208-Q213 PolarHBondContact N-O 3.02Å; R209-Q213 HydrophobicContact CB-CB 3.92Å; R209-Q213 PolarHBondContact N-O 3.18Å; G211-Q213 VanDerWaalsContact C-N 3.33Å; G211-Q213 PolarHBondContact O-N 2.92Å; G211-Q213 PolarHBondContact O-NE2 3.43Å
214	R	91.1	Very high	93.1	Very high	169 Å²	169	75.6 Å²	75.6	64%	0.638	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.8	58.9	-177.4	-60	-175.9	-177.9	-170.7	-2	111.8	Q208	Q208-R214 HydrophobicContact CB-CB 4.41Å; Q208-R214 PolarHBondContact N-O 2.89Å
215	C	95.6	Very high	93.1	Very high	38 Å²	38	73.8 Å²	73.8	26%	0.257	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	153.8	176.3	-46.4	0	0	0	0	111.1	W205 R206 C207 G212	W205-C215 HydrophobicContact CD2-CB 4.19Å; W205-C215 HydrophobicContact CH2-CB 3.85Å; W205-C215 HydrophobicContact CZ2-CB 3.19Å; R206-C215 VanDerWaalsContact O-CA 3.24Å; R206-C215 WeakPolarHBondContact O-CA 3.38Å; C207-C215 HydrophobicContact CB-CB 4.08Å; C207-C215 WeakPolarHBondContact CB-SG 3.06Å; C207-C215 WeakPolarHBondContact SG-CB 3.14Å; C207-C215 CovalentContact SG-SG 2.04Å; C207-C215 PolarHBondContact SG-SG 3.28Å; G212-C215 PolarHBondContact O-SG 3.49Å
216	G	96.3	Very high	93	Very high	27 Å²	27	74.3 Å²	74.3	28%	0.278	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	163.4	177.8	0	0	0	0	0	111.5	R206	R206-G216 PolarHBondContact N-O 3.43Å; R206-G216 PolarHBondContact O-N 3.49Å; R206-G216 VanDerWaalsContact O-N 3.09Å
217	W	97.9	Very high	93.1	Very high	33 Å²	33	71 Å²	71	13%	0.125	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.5	173.2	-68.1	105.6	0	0	0	110.5	P56 D60 L61 L66 L69 R167 W169 L203 R204 W205	P56-W217 HydrophobicContact CB-CZ2 3.9Å; P56-W217 HydrophobicContact CG-CH2 4.14Å; P56-W217 HydrophobicContact CG-CZ2 3.85Å; D60-W217 PolarHBondContact O-NE1 2.92Å; L61-W217 HydrophobicContact CD2-CH2 4.46Å; L61-W217 HydrophobicContact CD2-CZ2 3.76Å; L66-W217 HydrophobicContact CD2-CB 4.31Å; L66-W217 HydrophobicContact CD2-CD2 4.01Å; L66-W217 HydrophobicContact CD2-CG 3.62Å; L69-W217 HydrophobicContact CD2-CB 3.67Å; R167-W217 WeakPolarHBondContact O-CZ3 3.46Å; W169-W217 HydrophobicContact CB-CE3 4.25Å; W169-W217 HydrophobicContact CB-CH2 3.78Å; W169-W217 HydrophobicContact CB-CZ2 4.35Å; W169-W217 HydrophobicContact CB-CZ3 3.72Å; L203-W217 HydrophobicContact CB-CB 4.46Å; L203-W217 HydrophobicContact CB-CD2 4.35Å; L203-W217 HydrophobicContact CB-CE3 3.63Å; L203-W217 HydrophobicContact CB-CZ3 4.26Å; L203-W217 HydrophobicContact CD1-CB 4.38Å; R204-W217 VanDerWaalsContact C-CE3 3.48Å; W205-W217 HydrophobicContact CB-CD2 4.49Å; W205-W217 HydrophobicContact CB-CE3 4.08Å; W205-W217 HydrophobicContact CB-CH2 3.92Å; W205-W217 HydrophobicContact CB-CZ2 4.31Å; W205-W217 HydrophobicContact CB-CZ3 3.79Å; W205-W217 AromaticContact CE3-CD1 3.7Å; W205-W217 AromaticContact CE3-CD2 3.75Å; W205-W217 HydrophobicContact CE3-CD2 3.75Å; W205-W217 AromaticContact CE3-CE2 3.59Å; W205-W217 HydrophobicContact CE3-CE3 4.43Å; W205-W217 AromaticContact CE3-CG 3.84Å; W205-W217 HydrophobicContact CE3-CG 3.84Å; W205-W217 HydrophobicContact CE3-CZ2 4.17Å; W205-W217 AromaticContact CE3-NE1 3.56Å; W205-W217 AromaticContact CZ3-CD1 3.62Å; W205-W217 HydrophobicContact CZ3-CD2 4.44Å; W205-W217 HydrophobicContact CZ3-CG 4.15Å; W205-W217 AromaticContact CZ3-NE1 3.62Å
218	I	97	Very high	93.2	Very high	58 Å²	58	70.2 Å²	70.2	30%	0.297	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143	174.5	56.6	163.9	0	0	0	110.3	L203 R204 R206 I220	L203-I218 CarbonylContact C-O 3.18Å; L203-I218 WeakPolarHBondContact CA-O 3.48Å; R204-I218 HydrophobicContact CB-CG1 4.35Å; R204-I218 PolarHBondContact N-O 3.33Å; R204-I218 WeakPolarHBondContact O-CG1 3.28Å; R204-I218 PolarHBondContact O-N 3.49Å; R206-I218 HydrophobicContact CB-CD1 4Å; R206-I218 HydrophobicContact CB-CG1 4.17Å; R206-I218 HydrophobicContact CG-CD1 4.41Å; I218-I220 HydrophobicContact CD1-CG2 4.25Å; I218-I220 HydrophobicContact CG1-CG2 4.31Å
219	P	97.6	Very high	93.6	Very high	86 Å²	86	70.2 Å²	70.2	56%	0.558	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.5	171.7	29.2	-33.5	0	0	0	110.2	T201 V202 L203	T201-P219 HydrophobicContact CG2-CB 4Å; V202-P219 CarbonylContact O-C 3.48Å; V202-P219 WeakPolarHBondContact O-CA 3.44Å; L203-P219 HydrophobicContact CD2-CB 4.43Å
220	I	97	Very high	94.1	Very high	47 Å²	47	64 Å²	64	24%	0.241	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.6	174.5	63.5	135	0	0	0	110.1	F168 T201 V202 R204 I218	F168-I220 HydrophobicContact CD1-CD1 4.3Å; F168-I220 HydrophobicContact CE1-CD1 3.65Å; T201-I220 WeakPolarHBondContact CA-O 3.23Å; V202-I220 HydrophobicContact CG2-CD1 3.71Å; V202-I220 HydrophobicContact CG2-CG1 3.64Å; V202-I220 PolarHBondContact N-O 2.87Å; V202-I220 WeakPolarHBondContact O-CG1 3.25Å; V202-I220 PolarHBondContact O-N 3.25Å; R204-I220 HydrophobicContact CB-CD1 4.32Å; R204-I220 HydrophobicContact CB-CG1 3.97Å; R204-I220 HydrophobicContact CB-CG2 3.75Å; I218-I220 HydrophobicContact CD1-CG2 4.25Å; I218-I220 HydrophobicContact CG1-CG2 4.31Å
221	Q	96.2	Very high	94.7	Very high	113 Å²	113	54.8 Å²	54.8	53%	0.528	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.5	173.5	-62.2	-61.4	-25.6	0	0	109.5	H199 T201	H199-Q221 HydrophobicContact CB-CB 4.26Å; H199-Q221 VanDerWaalsContact CB-OE1 3.24Å; T201-Q221 PolarHBondContact OG1-NE2 3.29Å; T201-Q221 PolarHBondContact OG1-OE1 3.36Å
222	Y	95.2	Very high	95.2	Very high	26 Å²	26	58.9 Å²	58.9	10%	0.102	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.7	177.1	-171.9	-84.3	0	0	0	109.5	L164 V173 V175 H199 L200 I224	L164-Y222 HydrophobicContact CD1-CD2 4.4Å; L164-Y222 HydrophobicContact CD1-CE2 4.32Å; L164-Y222 HydrophobicContact CD2-CE2 3.7Å; V173-Y222 HydrophobicContact CG2-CE1 4.36Å; V175-Y222 HydrophobicContact CG2-CE1 4.39Å; H199-Y222 WeakPolarHBondContact CA-O 3.45Å; L200-Y222 PolarHBondContact N-O 2.8Å; L200-Y222 PolarHBondContact O-N 2.96Å; Y222-I224 HydrophobicContact CD1-CG2 3.91Å; Y222-I224 HydrophobicContact CE1-CG2 4Å
223	P	96.3	Very high	95.8	Very high	26 Å²	26	61.2 Å²	61.2	17%	0.169	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.4	-178	31.4	-33.7	0	0	0	111.8	L41 L43 V198	L41-P223 HydrophobicContact CD2-CB 4.19Å; L41-P223 HydrophobicContact CD2-CG 4.12Å; L43-P223 HydrophobicContact CD1-CG 3.41Å; L43-P223 VanDerWaalsContact CD1-CG 3.41Å; L43-P223 HydrophobicContact CG-CG 4.03Å; V198-P223 WeakPolarHBondContact O-CA 3.49Å
224	I	95.5	Very high	96.3	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.2	169.8	62.2	167.4	0	0	0	110.2	F78 V175 S197 V198 L200 Y222 S226	F78-I224 HydrophobicContact CD1-CD1 3.57Å; F78-I224 HydrophobicContact CE1-CD1 3.63Å; V175-I224 HydrophobicContact CG1-CG2 4.37Å; V175-I224 HydrophobicContact CG2-CG2 4.31Å; S197-I224 CarbonylContact C-O 3.53Å; S197-I224 WeakPolarHBondContact CA-O 3.39Å; S197-I224 WeakPolarHBondContact CB-O 3.35Å; V198-I224 HydrophobicContact CG2-CD1 3.86Å; V198-I224 HydrophobicContact CG2-CG1 3.54Å; V198-I224 PolarHBondContact N-O 3.01Å; V198-I224 PolarHBondContact O-N 3.31Å; L200-I224 HydrophobicContact CD1-CD1 4.04Å; L200-I224 HydrophobicContact CD1-CG2 3.98Å; L200-I224 HydrophobicContact CD2-CD1 4.09Å; L200-I224 HydrophobicContact CG-CD1 3.92Å; L200-I224 HydrophobicContact CG-CG1 4.25Å; L200-I224 HydrophobicContact CG-CG2 4.27Å; Y222-I224 HydrophobicContact CD1-CG2 3.91Å; Y222-I224 HydrophobicContact CE1-CG2 4Å; I224-S226 PolarHBondContact O-N 2.68Å
225	I	97.1	Very high	96.6	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.5	176.6	-61.7	165.9	0	0	0	109	L41 P42 G176 P194	L41-I225 HydrophobicContact CB-CD1 4.31Å; L41-I225 HydrophobicContact CB-CG1 4.02Å; L41-I225 HydrophobicContact CD1-CG1 3.94Å; P42-I225 HydrophobicContact CB-CD1 4.17Å; G176-I225 WeakPolarHBondContact O-CD1 3.33Å; P194-I225 HydrophobicContact CB-CD1 4.13Å; P194-I225 HydrophobicContact CB-CG1 4.06Å; P194-I225 HydrophobicContact CB-CG2 4.18Å; P194-I225 HydrophobicContact CG-CD1 3.55Å; P194-I225 HydrophobicContact CG-CG1 4.05Å
226	S	96	Very high	96.6	Very high	30 Å²	30	52.6 Å²	52.6	21%	0.21	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-24.3	179	59.4	0	0	0	0	113.7	K196 S197 I224	K196-S226 VanDerWaalsContact C-OG 3.3Å; K196-S226 PolarHBondContact O-N 3.16Å; K196-S226 PolarHBondContact O-OG 3.17Å; S197-S226 PolarHBondContact N-OG 3.23Å; I224-S226 PolarHBondContact O-N 2.68Å
227	E	96.6	Very high	96.7	Very high	83 Å²	83	54.2 Å²	54.2	39%	0.388	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	145.3	174.2	-62.5	-179.9	-164.5	0	0	110.9	S195 K196	S195-E227 PolarHBondContact N-O 3.42Å; S195-E227 PolarHBondContact OG-O 3.12Å; K196-E227 HydrophobicContact CB-CB 3.95Å; K196-E227 HydrophobicContact CB-CG 4.19Å; K196-E227 VanDerWaalsContact CD-CD 3.42Å; K196-E227 HydrophobicContact CD-CG 4.26Å; K196-E227 WeakPolarHBondContact CD-OE1 3.4Å; K196-E227 VanDerWaalsContact CD-OE2 3.25Å; K196-E227 WeakPolarHBondContact CD-OE2 3.45Å; K196-E227 WeakPolarHBondContact CE-OE2 3.4Å; K196-E227 HydrophobicContact CG-CB 4.2Å; K196-E227 HydrophobicContact CG-CG 4.38Å; K196-E227 PolarHBondContact N-O 2.76Å; K196-E227 IonicContact NZ-OE1 3.24Å; K196-E227 PolarHBondContact NZ-OE1 2.85Å; K196-E227 IonicContact NZ-OE2 3.79Å; K196-E227 PolarHBondContact NZ-OE2 3.46Å; K196-E227 PolarHBondContact O-N 2.85Å
228	C	97.6	Very high	96.6	Very high	16 Å²	16	55.6 Å²	55.6	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.3	171.5	-61.5	0	0	0	0	109.9	C155 C178 K193	C155-C228 HydrophobicContact CB-CB 3.66Å; C178-C228 WeakPolarHBondContact CA-SG 3.47Å; C178-C228 HydrophobicContact CB-CB 3.9Å; C178-C228 WeakPolarHBondContact CB-SG 3.43Å; C178-C228 WeakPolarHBondContact SG-CB 3.37Å; C178-C228 CovalentContact SG-SG 2.03Å; C178-C228 PolarHBondContact SG-SG 3.12Å; K193-C228 CarbonylContact O-C 3.17Å; K193-C228 WeakPolarHBondContact O-CA 3.43Å
229	K	97.1	Very high	96.5	Very high	142 Å²	142	55.4 Å²	55.4	62%	0.617	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.8	176.6	-168.3	173.8	179	179.5	0	110.9	K193 S231	K193-K229 PolarHBondContact N-O 3.39Å; K193-K229 PolarHBondContact O-N 2.99Å; K229-S231 PolarHBondContact O-N 3.16Å
230	C	97.5	Very high	96.5	Very high	23 Å²	23	53.1 Å²	53.1	16%	0.155	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	122.6	172.5	-166.5	0	0	0	0	110	C155 C184 M190	C155-C230 PolarHBondContact SG-N 3.02Å; C184-C230 HydrophobicContact CB-CB 3.82Å; C184-C230 WeakPolarHBondContact CB-SG 3.29Å; C184-C230 PolarHBondContact O-SG 3.2Å; C184-C230 WeakPolarHBondContact SG-CA 3.36Å; C184-C230 WeakPolarHBondContact SG-CB 3.42Å; C184-C230 CovalentContact SG-SG 2.03Å; C184-C230 PolarHBondContact SG-SG 3.17Å; M190-C230 VanDerWaalsContact CB-SG 3.57Å; M190-C230 WeakPolarHBondContact CE-O 3.25Å
231	S	96.8	Very high	96.4	Very high	51 Å²	51	53.6 Å²	53.6	36%	0.357	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.1	-175.1	-168.2	0	0	0	0	111.7	M190 V191 K229	M190-S231 WeakPolarHBondContact CA-O 3.4Å; M190-S231 WeakPolarHBondContact CB-O 3.44Å; V191-S231 PolarHBondContact N-O 2.85Å; V191-S231 PolarHBondContact O-N 3.06Å; K229-S231 PolarHBondContact O-N 3.16Å
232	C	95.1	Very high	96.4	Very high	126 Å²	126	48.2 Å²	48.2	85%	0.851	27%	0.272	S	S	*	.			trans	-74.4	0	173	-60.1	0	0	0	0	110.3	K193	K193-C232 WeakPolarHBondContact CE-OXT 3.48Å; K193-C232 PolarHBondContact NZ-O 3.11Å; K193-C232 PolarHBondContact NZ-OXT 3.1Å

Retrieved 232 of 232 residues in 70.1 ms (Link to these results)

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