X5DPA6_HUMAN Loading...

Semaphorin-2A

AlphaFold DB , UniProt , Accession X5DPA6, Species HUMAN (Homo sapiens, Human), Gene SEMA5A, Length 439 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	33.9	Very low	30.2	Very low	250 Å²	250	153.5 Å²	153.5	100%	1.232	84%	0.841	S	S	*	*				0	116.2	0	-79.6	163.5	164.3	0	0	107.8
2	K	35.8	Very low	30.3	Very low	207 Å²	207	150.5 Å²	150.5	90%	0.9	84%	0.839	S	S	*	*			trans	-74.2	127.1	174.1	-73.6	178.1	174.6	179.3	0	108
3	G	29.9	Very low	30.9	Very low	86 Å²	86	146.8 Å²	146.8	89%	0.887	83%	0.83	S	S	*	*			trans	-96.6	113.5	169.5	0	0	0	0	0	109.7
4	T	31.9	Very low	31.4	Very low	126 Å²	126	149 Å²	149	77%	0.773	84%	0.837	S	S	*	*			trans	-98.2	152	-180	-12.6	0	0	0	0	111.7
5	C	27.6	Very low	31.5	Very low	118 Å²	118	143.5 Å²	143.5	80%	0.797	83%	0.827	S	S	*	*			trans	75.2	139.3	151.4	-99.1	0	0	0	0	118.5
6	V	26.1	Very low	31.8	Very low	123 Å²	123	144.4 Å²	144.4	75%	0.745	83%	0.827	S	S	*	*				-151.3	135.8	50.9	172.4	0	0	0	0	111.4	A8	V6-A8 HydrophobicContact CG1-CB 4.25Å
7	I	33.1	Very low	31.7	Very low	153 Å²	153	150 Å²	150	79%	0.785	83%	0.832	S	S	*	*			trans	-107	124.7	157.7	-66.6	173.4	0	0	0	106.5
8	A	26.9	Very low	31.6	Very low	90 Å²	90	155.2 Å²	155.2	74%	0.744	84%	0.837	S	S	*	*			trans	-136	136.4	168.1	0	0	0	0	0	110.2	V6	V6-A8 HydrophobicContact CG1-CB 4.25Å
9	W	31.9	Very low	31.4	Very low	186 Å²	186	155.1 Å²	155.1	71%	0.705	84%	0.835	S	S	*	*			trans	-91.7	155.9	-161.4	-70.8	72.8	0	0	0	113.5	F11	W9-F11 HydrophobicContact CD2-CE2 4.28Å; W9-F11 AromaticContact CE3-CD2 3.66Å; W9-F11 HydrophobicContact CE3-CD2 3.66Å; W9-F11 AromaticContact CE3-CE2 3.22Å; W9-F11 HydrophobicContact CE3-CE2 3.22Å; W9-F11 AromaticContact CE3-CZ 3.92Å; W9-F11 HydrophobicContact CE3-CZ 3.92Å; W9-F11 HydrophobicContact CH2-CE2 4.08Å; W9-F11 HydrophobicContact CH2-CZ 4.22Å; W9-F11 AromaticContact CZ3-CD2 3.99Å; W9-F11 HydrophobicContact CZ3-CD2 3.99Å; W9-F11 HydrophobicContact CZ3-CE1 4.36Å; W9-F11 AromaticContact CZ3-CE2 3.11Å; W9-F11 HydrophobicContact CZ3-CE2 3.11Å; W9-F11 AromaticContact CZ3-CZ 3.34Å; W9-F11 HydrophobicContact CZ3-CZ 3.34Å
10	L	26.4	Very low	31.3	Very low	177 Å²	177	152 Å²	152	93%	0.927	83%	0.832	S	S	*	*			trans	-141	115.4	145.1	-85.5	171.6	0	0	0	110.1
11	F	28.3	Very low	31.1	Very low	172 Å²	172	152.7 Å²	152.7	75%	0.754	83%	0.829	S	S	*	*			trans	-80.3	128.8	162.9	-84.8	-84.2	0	0	0	108.9	W9	W9-F11 HydrophobicContact CD2-CE2 4.28Å; W9-F11 AromaticContact CE3-CD2 3.66Å; W9-F11 HydrophobicContact CE3-CD2 3.66Å; W9-F11 AromaticContact CE3-CE2 3.22Å; W9-F11 HydrophobicContact CE3-CE2 3.22Å; W9-F11 AromaticContact CE3-CZ 3.92Å; W9-F11 HydrophobicContact CE3-CZ 3.92Å; W9-F11 HydrophobicContact CH2-CE2 4.08Å; W9-F11 HydrophobicContact CH2-CZ 4.22Å; W9-F11 AromaticContact CZ3-CD2 3.99Å; W9-F11 HydrophobicContact CZ3-CD2 3.99Å; W9-F11 HydrophobicContact CZ3-CE1 4.36Å; W9-F11 AromaticContact CZ3-CE2 3.11Å; W9-F11 HydrophobicContact CZ3-CE2 3.11Å; W9-F11 AromaticContact CZ3-CZ 3.34Å; W9-F11 HydrophobicContact CZ3-CZ 3.34Å
12	S	32.2	Very low	30.9	Very low	118 Å²	118	146.6 Å²	146.6	83%	0.825	81%	0.808	S	S	*	*			trans	-137.3	138.5	149	73.7	0	0	0	0	109.1
13	S	37.8	Very low	30.5	Very low	103 Å²	103	144.5 Å²	144.5	72%	0.72	80%	0.801	S	S	*	*			trans	-70.9	140.4	-170.1	48.4	0	0	0	0	113.1
14	L	38.2	Very low	30.6	Very low	177 Å²	177	145 Å²	145	93%	0.927	80%	0.796	S	S	*	*			trans	97.2	112.7	164.7	-60	145.2	0	0	0	116.4
15	G	31.9	Very low	30.8	Very low	67 Å²	67	147.2 Å²	147.2	69%	0.691	80%	0.798	S	S	*	*			trans	126.4	112.4	156.7	0	0	0	0	0	114.9
16	L	36.4	Very low	31.3	Very low	158 Å²	158	144.8 Å²	144.8	83%	0.827	79%	0.793	S	S	*	*			trans	-51.7	132	176.1	-83.5	91.3	0	0	0	113.1
17	W	30.9	Very low	31.7	Very low	239 Å²	239	145 Å²	145	91%	0.905	80%	0.795	S	S	*	*			trans	-140.7	109.7	147.9	-70.9	90.9	0	0	0	109.6	L19	W17-L19 PolarHBondContact O-N 3.26Å
18	R	29.5	Very low	31.9	Very low	244 Å²	244	143.5 Å²	143.5	92%	0.921	79%	0.793	S	S	*	*			trans	-69.6	107	164.4	-79.8	-171.6	175.1	-167	-0.4	107.5	A20	R18-A20 PolarHBondContact O-N 3.22Å
19	L	28.6	Very low	32.5	Very low	153 Å²	153	146.7 Å²	146.7	80%	0.801	79%	0.792	S	S	*	*			trans	-77.6	99.8	160.9	-81.8	160	0	0	0	107.6	W17 H21	W17-L19 PolarHBondContact O-N 3.26Å; L19-H21 PolarHBondContact O-N 3.09Å; L19-H21 VanDerWaalsContact O-N 3.09Å; L19-H21 PolarHBondContact O-ND1 3.49Å
20	A	28	Very low	33	Very low	93 Å²	93	144.1 Å²	144.1	77%	0.769	80%	0.801	S	S	*	*			trans	-57.5	112.5	164.6	0	0	0	0	0	107.9	R18	R18-A20 PolarHBondContact O-N 3.22Å
21	H	28.2	Very low	33.7	Very low	167 Å²	167	144 Å²	144	77%	0.773	80%	0.796	S	S	*	*			trans	-68.3	128.3	163.6	-76.1	29.9	0	0	0	106.9	L19 E23	L19-H21 PolarHBondContact O-N 3.09Å; L19-H21 VanDerWaalsContact O-N 3.09Å; L19-H21 PolarHBondContact O-ND1 3.49Å; H21-E23 PolarHBondContact O-N 2.91Å
22	P	28.6	Very low	34.5	Very low	121 Å²	121	144 Å²	144	79%	0.786	79%	0.791	S	S	*	*			trans	-62.2	119.3	158.1	-4.2	19.8	0	0	0	105.6	A24	P22-A24 VanDerWaalsContact C-N 3.35Å; P22-A24 PolarHBondContact O-N 3.17Å
23	E	28.8	Very low	35.5	Very low	164 Å²	164	145.5 Å²	145.5	77%	0.766	80%	0.795	S	S	*	*			trans	-52.2	107.9	159	-84.1	177.9	143	0	0	106.7	H21 Q25	H21-E23 PolarHBondContact O-N 2.91Å; E23-Q25 PolarHBondContact O-N 2.8Å
24	A	32.2	Very low	36.8	Very low	95 Å²	95	148 Å²	148	79%	0.785	80%	0.796	S	S	*	*			trans	-69.7	72.3	165.4	0	0	0	0	0	107.6	P22 G26	P22-A24 VanDerWaalsContact C-N 3.35Å; P22-A24 PolarHBondContact O-N 3.17Å; A24-G26 PolarHBondContact O-N 3.37Å
25	Q	36.1	Very low	38.4	Very low	173 Å²	173	145.2 Å²	145.2	81%	0.808	78%	0.778	S	S	*	*			trans	-71.6	113.6	159.4	-82.3	-175.1	-13.3	0	0	107.3	E23	E23-Q25 PolarHBondContact O-N 2.8Å
26	G	37.6	Very low	40.8	Very low	67 Å²	67	146.3 Å²	146.3	69%	0.691	77%	0.773	S	S	*	*			trans	113.8	58.1	159	0	0	0	0	0	116.8	A24	A24-G26 PolarHBondContact O-N 3.37Å
27	T	35	Very low	43.1	Very low	127 Å²	127	145.3 Å²	145.3	78%	0.779	77%	0.773	S	S	*	*			trans	-125.8	12.7	158.8	48	0	0	0	0	113.5
28	T	36.1	Very low	45.8	Very low	122 Å²	122	138.6 Å²	138.6	75%	0.748	75%	0.754	S	S	*	*			trans	-93.9	1.7	-178	43.5	0	0	0	0	114.8
29	Q	40.5	Very low	48.7	Very low	157 Å²	157	129.3 Å²	129.3	73%	0.734	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-86.9	-14.7	-173.2	-150.1	163.8	4.8	0	0	114.6
30	C	40.9	Very low	51.5	Low	132 Å²	132	128.5 Å²	128.5	89%	0.892	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-95.6	11.7	-177	-65	0	0	0	0	114.9
31	Q	41.1	Very low	54.4	Low	176 Å²	176	132.9 Å²	132.9	82%	0.822	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-115.2	20.9	177.9	-73.4	-170.8	-27.1	0	0	113.6	T33	Q31-T33 PolarHBondContact O-N 3.2Å
32	R	46.7	Very low	57.4	Low	172 Å²	172	130.3 Å²	130.3	65%	0.649	70%	0.703	S	S	*	*			trans	-71.4	121.3	174.7	-76.6	-172.6	173.2	-178.7	-1.8	109.9	E34	R32-E34 WeakPolarHBondContact CB-O 3.45Å; R32-E34 PolarHBondContact O-N 3.29Å
33	T	52.9	Low	60.3	Low	148 Å²	148	127.4 Å²	127.4	91%	0.908	68%	0.681	S	S	*	*	S	Bend	trans	-66.8	-15.8	168.2	33.9	0	0	0	0	113	Q31	Q31-T33 PolarHBondContact O-N 3.2Å
34	E	65.2	Low	63.2	Low	156 Å²	156	120.8 Å²	120.8	73%	0.729	66%	0.657	S	S	*	*	S	Bend	trans	-112.5	130	177.6	-67.7	-179.6	175.4	0	0	110.5	R32	R32-E34 WeakPolarHBondContact CB-O 3.45Å; R32-E34 PolarHBondContact O-N 3.29Å
35	H	70.9	Confident	66.1	Low	118 Å²	118	120.6 Å²	120.6	55%	0.546	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-60.2	132.8	174.6	-70.8	-79.5	0	0	0	110	V37 F395	H35-V37 PolarHBondContact O-N 3.19Å; H35-F395 AromaticContact NE2-CE2 3.98Å
36	P	82.8	Confident	68.7	Low	90 Å²	90	122.1 Å²	122.1	58%	0.584	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-63	123.3	176.6	26.3	-32.6	0	0	0	109.6
37	V	85.3	Confident	71.2	Confident	138 Å²	138	122.2 Å²	122.2	84%	0.836	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-92.6	120.4	174.2	-178.1	0	0	0	0	108.1	H35	H35-V37 PolarHBondContact O-N 3.19Å
38	I	87.5	Confident	74	Confident	97 Å²	97	123 Å²	123	50%	0.497	62%	0.619	S	S	.	*			trans	-109	129	177.5	-52.4	178	0	0	0	108	E42 I43	I38-E42 HydrophobicContact CG2-CB 3.62Å; I38-E42 WeakPolarHBondContact CG2-OE2 3.42Å; I38-I43 HydrophobicContact CB-CG2 4.21Å; I38-I43 HydrophobicContact CG2-CG2 3.49Å; I38-I43 VanDerWaalsContact CG2-CG2 3.49Å
39	S	89.6	Confident	76.6	Confident	49 Å²	49	122.1 Å²	122.1	34%	0.343	61%	0.606	S	S	.	*			trans	-73.6	154.1	-178.9	75.1	0	0	0	0	111.8	K41 E42 I43	S39-K41 PolarHBondContact O-N 3.38Å; S39-K41 VanDerWaalsContact O-N 3.15Å; S39-E42 WeakPolarHBondContact CB-OE1 3.48Å; S39-E42 WeakPolarHBondContact O-CB 3.48Å; S39-E42 PolarHBondContact O-N 2.69Å; S39-E42 WeakPolarHBondContact OG-CG 3.32Å; S39-E42 PolarHBondContact OG-N 3.4Å; S39-E42 PolarHBondContact OG-OE1 3.5Å; S39-I43 PolarHBondContact O-N 3.39Å
40	Y	86.9	Confident	79.2	Confident	137 Å²	137	116.7 Å²	116.7	54%	0.537	58%	0.58	S	S	.	*	H	α-helix	trans	-52.6	-36.7	174	174.3	-98.5	0	0	0	112.9	E42 I43 G44 L47 E49	Y40-E42 VanDerWaalsContact C-N 3.33Å; Y40-E42 PolarHBondContact O-N 3.02Å; Y40-I43 WeakPolarHBondContact O-CG1 3.49Å; Y40-G44 WeakPolarHBondContact O-CA 3.14Å; Y40-G44 PolarHBondContact O-N 2.93Å; Y40-L47 HydrophobicContact CD2-CD1 3.77Å; Y40-L47 HydrophobicContact CE2-CD1 3.53Å; Y40-E49 PolarHBondContact OH-OE2 2.9Å
41	K	89.4	Confident	81.7	Confident	184 Å²	184	119.1 Å²	119.1	80%	0.8	57%	0.571	S	S	*	*	H	α-helix	trans	-66.9	-36.2	179.7	-68.9	-177.2	179.2	179	0	112.1	S39	S39-K41 PolarHBondContact O-N 3.38Å; S39-K41 VanDerWaalsContact O-N 3.15Å
42	E	91.4	Very high	84.2	Confident	113 Å²	113	112.1 Å²	112.1	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-47.2	178	-75.5	157.2	-119.8	0	0	110.9	I38 S39 Y40 G44 P45 W46	I38-E42 HydrophobicContact CG2-CB 3.62Å; I38-E42 WeakPolarHBondContact CG2-OE2 3.42Å; S39-E42 WeakPolarHBondContact CB-OE1 3.48Å; S39-E42 WeakPolarHBondContact O-CB 3.48Å; S39-E42 PolarHBondContact O-N 2.69Å; S39-E42 WeakPolarHBondContact OG-CG 3.32Å; S39-E42 PolarHBondContact OG-N 3.4Å; S39-E42 PolarHBondContact OG-OE1 3.5Å; Y40-E42 VanDerWaalsContact C-N 3.33Å; Y40-E42 PolarHBondContact O-N 3.02Å; E42-G44 VanDerWaalsContact C-N 3.26Å; E42-G44 PolarHBondContact O-N 3.15Å; E42-P45 WeakPolarHBondContact O-CD 3.47Å; E42-W46 WeakPolarHBondContact O-CZ3 3.46Å
43	I	90.3	Very high	86.1	Confident	60 Å²	60	114.1 Å²	114.1	31%	0.308	56%	0.556	S	S	.	*	H	α-helix	trans	-75.5	-13.7	178.7	60.2	176.4	0	0	0	114.1	I38 S39 Y40 P45 W46 L47	I38-I43 HydrophobicContact CB-CG2 4.21Å; I38-I43 HydrophobicContact CG2-CG2 3.49Å; I38-I43 VanDerWaalsContact CG2-CG2 3.49Å; S39-I43 PolarHBondContact O-N 3.39Å; Y40-I43 WeakPolarHBondContact O-CG1 3.49Å; I43-P45 VanDerWaalsContact O-N 3.15Å; I43-W46 PolarHBondContact O-N 2.95Å; I43-L47 HydrophobicContact CB-CG 4.45Å; I43-L47 HydrophobicContact CD1-CD1 3.71Å; I43-L47 HydrophobicContact CD1-CD2 4.3Å; I43-L47 HydrophobicContact CD1-CG 4.2Å; I43-L47 HydrophobicContact CG1-CD1 3.7Å; I43-L47 HydrophobicContact CG1-CG 4.09Å; I43-L47 PolarHBondContact O-N 3.29Å
44	G	88.9	Confident	87.8	Confident	26 Å²	26	112.7 Å²	112.7	27%	0.268	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-45.4	-44.7	-174	0	0	0	0	0	116	Y40 E42 W46 L47	Y40-G44 WeakPolarHBondContact O-CA 3.14Å; Y40-G44 PolarHBondContact O-N 2.93Å; E42-G44 VanDerWaalsContact C-N 3.26Å; E42-G44 PolarHBondContact O-N 3.15Å; G44-W46 PolarHBondContact O-N 3.21Å; G44-L47 PolarHBondContact O-N 3.22Å; G44-L47 VanDerWaalsContact O-N 3.12Å
45	P	92.8	Very high	89	Confident	90 Å²	90	105.6 Å²	105.6	58%	0.584	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-59.9	-28	178.5	-25.7	36.2	0	0	0	114.7	E42 I43 R48	E42-P45 WeakPolarHBondContact O-CD 3.47Å; I43-P45 VanDerWaalsContact O-N 3.15Å; P45-R48 PolarHBondContact O-NH1 3.12Å
46	W	90.1	Very high	90.1	Very high	205 Å²	205	103 Å²	103	78%	0.777	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-95.5	-7.4	179.6	-58.5	-81.4	0	0	0	113.3	E42 I43 G44	E42-W46 WeakPolarHBondContact O-CZ3 3.46Å; I43-W46 PolarHBondContact O-N 2.95Å; G44-W46 PolarHBondContact O-N 3.21Å
47	L	91.3	Very high	90.6	Very high	70 Å²	70	101.7 Å²	101.7	37%	0.366	49%	0.491	S	S	.	.			trans	-85.3	147.5	175.1	-66.5	-178	0	0	0	111.1	Y40 I43 G44	Y40-L47 HydrophobicContact CD2-CD1 3.77Å; Y40-L47 HydrophobicContact CE2-CD1 3.53Å; I43-L47 HydrophobicContact CB-CG 4.45Å; I43-L47 HydrophobicContact CD1-CD1 3.71Å; I43-L47 HydrophobicContact CD1-CD2 4.3Å; I43-L47 HydrophobicContact CD1-CG 4.2Å; I43-L47 HydrophobicContact CG1-CD1 3.7Å; I43-L47 HydrophobicContact CG1-CG 4.09Å; I43-L47 PolarHBondContact O-N 3.29Å; G44-L47 PolarHBondContact O-N 3.22Å; G44-L47 VanDerWaalsContact O-N 3.12Å
48	R	92.5	Very high	91.1	Very high	144 Å²	144	98.9 Å²	98.9	54%	0.543	47%	0.468	S	S	.	.			trans	-113.7	135.2	166.3	-60.4	-64.6	174.9	-108.5	3.4	107.2	P45 L86	P45-R48 PolarHBondContact O-NH1 3.12Å; R48-L86 HydrophobicContact CB-CD1 4.04Å; R48-L86 HydrophobicContact CB-CG 4.11Å; R48-L86 WeakPolarHBondContact O-CD1 3.44Å
49	E	91.8	Very high	91.2	Very high	103 Å²	103	96.1 Å²	96.1	48%	0.481	46%	0.457	S	S	.	.			trans	-132	127.8	-174.8	-175.5	174.6	-155.7	0	0	110.2	Y40 R51	Y40-E49 PolarHBondContact OH-OE2 2.9Å; E49-R51 VanDerWaalsContact CD-CZ 3.45Å; E49-R51 HydrophobicContact CG-CG 4.04Å; E49-R51 IonicContact OE1-CZ 2.9Å; E49-R51 IonicContact OE1-NE 2.9Å; E49-R51 PolarHBondContact OE1-NE 2.68Å; E49-R51 IonicContact OE1-NH1 2.78Å; E49-R51 IonicContact OE1-NH2 2.68Å; E49-R51 PolarHBondContact OE1-NH2 2.9Å; E49-R51 IonicContact OE2-CZ 3.32Å; E49-R51 VanDerWaalsContact OE2-CZ 3.32Å; E49-R51 IonicContact OE2-NE 2.91Å; E49-R51 PolarHBondContact OE2-NE 2.91Å; E49-R51 IonicContact OE2-NH2 2.9Å; E49-R51 PolarHBondContact OE2-NH2 3.45Å
50	F	94.7	Very high	91.5	Very high	43 Å²	43	96.7 Å²	96.7	19%	0.189	45%	0.454	C	S	.	.			trans	-103.2	132.6	168.8	176.4	-106.1	0	0	0	110.2	A52 F58 F79 L81 L86 L88	F50-A52 HydrophobicContact CE1-CB 4.17Å; F50-A52 HydrophobicContact CZ-CB 4.02Å; F50-F58 HydrophobicContact CD1-CE1 4.15Å; F50-F58 AromaticContact CE1-CE1 3.84Å; F50-F58 HydrophobicContact CE1-CE1 3.84Å; F50-F58 HydrophobicContact CE1-CZ 4.36Å; F50-F79 HydrophobicContact CE1-CD1 4.05Å; F50-F79 HydrophobicContact CE1-CD2 4.12Å; F50-F79 HydrophobicContact CE1-CE1 4.28Å; F50-F79 HydrophobicContact CE1-CE2 4.35Å; F50-F79 AromaticContact CE1-CG 3.96Å; F50-F79 HydrophobicContact CE1-CG 3.96Å; F50-F79 HydrophobicContact CE1-CZ 4.43Å; F50-F79 AromaticContact CZ-CD1 3.7Å; F50-F79 HydrophobicContact CZ-CD1 3.7Å; F50-F79 AromaticContact CZ-CE1 3.94Å; F50-F79 HydrophobicContact CZ-CE1 3.94Å; F50-F79 HydrophobicContact CZ-CG 4.05Å; F50-F79 HydrophobicContact CZ-CZ 4.47Å; F50-L81 HydrophobicContact CB-CD1 3.99Å; F50-L81 HydrophobicContact CD1-CD1 3.84Å; F50-L81 HydrophobicContact CD1-CD2 4.24Å; F50-L81 HydrophobicContact CD2-CD1 4.26Å; F50-L81 HydrophobicContact CD2-CD2 3.64Å; F50-L81 HydrophobicContact CE1-CD1 4.39Å; F50-L81 HydrophobicContact CE1-CD2 4.19Å; F50-L81 HydrophobicContact CE2-CD2 3.61Å; F50-L81 HydrophobicContact CG-CD1 3.75Å; F50-L81 HydrophobicContact CG-CD2 3.98Å; F50-L81 HydrophobicContact CZ-CD2 3.89Å; F50-L86 HydrophobicContact CB-CB 4.17Å; F50-L88 HydrophobicContact CE2-CB 4.12Å; F50-L88 HydrophobicContact CE2-CD1 4.04Å; F50-L88 HydrophobicContact CE2-CG 4.49Å; F50-L88 HydrophobicContact CZ-CD1 4.11Å
51	R	94.1	Very high	91.9	Very high	183 Å²	183	95.4 Å²	95.4	69%	0.691	46%	0.457	S	S	*	.			trans	-134.9	136.8	174.3	-63	-179.6	-178	-103.9	-1.6	109.7	E49	E49-R51 VanDerWaalsContact CD-CZ 3.45Å; E49-R51 HydrophobicContact CG-CG 4.04Å; E49-R51 IonicContact OE1-CZ 2.9Å; E49-R51 IonicContact OE1-NE 2.9Å; E49-R51 PolarHBondContact OE1-NE 2.68Å; E49-R51 IonicContact OE1-NH1 2.78Å; E49-R51 IonicContact OE1-NH2 2.68Å; E49-R51 PolarHBondContact OE1-NH2 2.9Å; E49-R51 IonicContact OE2-CZ 3.32Å; E49-R51 VanDerWaalsContact OE2-CZ 3.32Å; E49-R51 IonicContact OE2-NE 2.91Å; E49-R51 PolarHBondContact OE2-NE 2.91Å; E49-R51 IonicContact OE2-NH2 2.9Å; E49-R51 PolarHBondContact OE2-NH2 3.45Å
52	A	93.6	Very high	92.2	Very high	28 Å²	28	88 Å²	88	23%	0.231	43%	0.427	C	S	.	.			trans	-125.7	128.1	171.9	0	0	0	0	0	109.9	F50 N54 A55 F58 F79	F50-A52 HydrophobicContact CE1-CB 4.17Å; F50-A52 HydrophobicContact CZ-CB 4.02Å; A52-N54 VanDerWaalsContact C-N 3.3Å; A52-N54 PolarHBondContact O-N 2.66Å; A52-A55 HydrophobicContact CB-CB 3.9Å; A52-A55 PolarHBondContact O-N 2.84Å; A52-F58 HydrophobicContact CB-CZ 4.38Å; A52-F79 HydrophobicContact CB-CE1 4.07Å; A52-F79 HydrophobicContact CB-CZ 3.79Å
53	K	87	Confident	92.2	Very high	214 Å²	214	86.6 Å²	86.6	93%	0.93	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.4	-168.1	-72.7	-178	179.2	177	0	114.6
54	N	87.2	Confident	92.2	Very high	118 Å²	118	84.3 Å²	84.3	63%	0.631	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-1.4	-175.2	-63.5	-17.9	0	0	0	113.5	A52 Y77	A52-N54 VanDerWaalsContact C-N 3.3Å; A52-N54 PolarHBondContact O-N 2.66Å; N54-Y77 HydrophobicContact CB-CE2 4.2Å
55	A	91.5	Very high	91.7	Very high	7 Å²	7	87.5 Å²	87.5	6%	0.058	42%	0.424	C	S	.	.			trans	-105.8	139.3	-177.2	0	0	0	0	0	110.9	A52 F58 A74 Y77 F79	A52-A55 HydrophobicContact CB-CB 3.9Å; A52-A55 PolarHBondContact O-N 2.84Å; A55-F58 HydrophobicContact CB-CE1 4.22Å; A55-F58 HydrophobicContact CB-CZ 3.9Å; A55-A74 HydrophobicContact CB-CB 4.43Å; A55-Y77 HydrophobicContact CB-CD2 3.6Å; A55-Y77 HydrophobicContact CB-CE2 4.22Å; A55-Y77 HydrophobicContact CB-CG 4.26Å; A55-F79 HydrophobicContact CB-CE2 3.86Å; A55-F79 HydrophobicContact CB-CZ 3.67Å
56	V	93.6	Very high	91.2	Very high	63 Å²	63	86.5 Å²	86.5	38%	0.382	43%	0.43	S	S	.	.			trans	-138.9	174.9	174.4	-61.9	0	0	0	0	108.2	R75	V56-R75 HydrophobicContact CG2-CB 4.05Å; V56-R75 VanDerWaalsContact CG2-NE 3.32Å; V56-R75 VanDerWaalsContact O-CB 3.29Å; V56-R75 WeakPolarHBondContact O-CB 3.49Å; V56-R75 PolarHBondContact O-N 2.65Å
57	D	93	Very high	90.9	Very high	63 Å²	63	80.7 Å²	80.7	34%	0.337	41%	0.411	S	S	.	.			trans	56.2	51.9	178.2	-160.4	46.8	0	0	0	114.2	S59 A74 R75 Y117 R119	D57-S59 PolarHBondContact O-N 2.9Å; D57-S59 PolarHBondContact O-OG 3.08Å; D57-A74 WeakPolarHBondContact O-CA 3.16Å; D57-R75 HydrophobicContact CB-CB 4.32Å; D57-Y117 HydrophobicContact CB-CD1 4.09Å; D57-Y117 HydrophobicContact CB-CE1 4.08Å; D57-Y117 VanDerWaalsContact OD2-CD1 3.24Å; D57-Y117 WeakPolarHBondContact OD2-CD1 3.18Å; D57-R119 IonicContact OD2-CZ 3.06Å; D57-R119 VanDerWaalsContact OD2-CZ 3.25Å; D57-R119 IonicContact OD2-NH1 2.97Å; D57-R119 PolarHBondContact OD2-NH1 3.15Å; D57-R119 IonicContact OD2-NH2 2.89Å; D57-R119 PolarHBondContact OD2-NH2 2.73Å
58	F	94.9	Very high	90.8	Very high	80 Å²	80	83.2 Å²	83.2	35%	0.351	42%	0.419	S	S	.	.			trans	-65.3	79.3	169.3	-56.3	-87.2	0	0	0	109.7	F50 A52 A55 V72 A74 F79	F50-F58 HydrophobicContact CD1-CE1 4.15Å; F50-F58 AromaticContact CE1-CE1 3.84Å; F50-F58 HydrophobicContact CE1-CE1 3.84Å; F50-F58 HydrophobicContact CE1-CZ 4.36Å; A52-F58 HydrophobicContact CB-CZ 4.38Å; A55-F58 HydrophobicContact CB-CE1 4.22Å; A55-F58 HydrophobicContact CB-CZ 3.9Å; F58-V72 HydrophobicContact CB-CG1 4.09Å; F58-V72 HydrophobicContact CD1-CG1 3.73Å; F58-V72 HydrophobicContact CG-CG1 4.4Å; F58-A74 HydrophobicContact CD1-CB 3.71Å; F58-A74 HydrophobicContact CE1-CB 3.99Å; F58-A74 HydrophobicContact CG-CB 4.26Å; F58-F79 HydrophobicContact CD1-CD2 4.42Å; F58-F79 HydrophobicContact CD1-CE2 4.34Å; F58-F79 HydrophobicContact CE1-CD2 4.01Å; F58-F79 AromaticContact CE1-CE2 3.63Å; F58-F79 HydrophobicContact CE1-CE2 3.63Å; F58-F79 HydrophobicContact CE1-CZ 4.42Å
59	S	91	Very high	91	Very high	38 Å²	38	77.2 Å²	77.2	27%	0.266	40%	0.397	S	S	.	.			trans	-108.9	-14.9	-163	57.5	0	0	0	0	113.5	D57 G73 I118 R119	D57-S59 PolarHBondContact O-N 2.9Å; D57-S59 PolarHBondContact O-OG 3.08Å; S59-G73 PolarHBondContact N-O 3.12Å; S59-G73 VanDerWaalsContact N-O 3.14Å; S59-I118 PolarHBondContact OG-O 2.95Å; S59-R119 VanDerWaalsContact CB-NH1 3.27Å; S59-R119 PolarHBondContact OG-NH1 3.28Å
60	Q	95.3	Very high	91.2	Very high	61 Å²	61	73.9 Å²	73.9	29%	0.285	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.2	178.3	-63.8	-62	-57.2	0	0	110	V72 G73 I118 R119 L121	Q60-V72 WeakPolarHBondContact O-CA 3.26Å; Q60-G73 PolarHBondContact N-O 2.95Å; Q60-G73 PolarHBondContact O-N 2.82Å; Q60-I118 WeakPolarHBondContact CG-O 3.37Å; Q60-R119 PolarHBondContact OE1-O 3.43Å; Q60-L121 HydrophobicContact CB-CB 3.86Å; Q60-L121 HydrophobicContact CB-CD2 4.11Å
61	L	95.8	Very high	91.3	Very high	111 Å²	111	71.8 Å²	71.8	58%	0.581	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.8	-178.9	-60.8	172.7	0	0	0	108.1	L70 V72	L61-L70 HydrophobicContact CB-CD1 4.47Å; L61-L70 HydrophobicContact CD2-CD2 4.45Å; L61-V72 HydrophobicContact CD2-CB 4.06Å; L61-V72 HydrophobicContact CD2-CG1 3.68Å; L61-V72 HydrophobicContact CD2-CG2 3.63Å
62	T	95.3	Very high	91.5	Very high	29 Å²	29	63.3 Å²	63.3	18%	0.178	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.1	169.7	-164.6	0	0	0	0	110.3	V71 L121 V123 L128	T62-V71 HydrophobicContact CG2-CB 3.82Å; T62-V71 HydrophobicContact CG2-CG1 4.5Å; T62-V71 HydrophobicContact CG2-CG2 4.4Å; T62-V71 PolarHBondContact N-O 3.2Å; T62-V71 PolarHBondContact O-N 3.04Å; T62-L121 HydrophobicContact CG2-CD2 3.76Å; T62-L121 HydrophobicContact CG2-CG 3.65Å; T62-V123 HydrophobicContact CG2-CG2 3.71Å; T62-L128 HydrophobicContact CG2-CD1 4.05Å
63	F	92.4	Very high	91.7	Very high	82 Å²	82	62 Å²	62	36%	0.36	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.7	-175.8	-177.6	-121.4	0	0	0	110.4	P65 K68 E69 L83	F63-P65 HydrophobicContact CD1-CB 3.96Å; F63-P65 HydrophobicContact CE1-CB 3.74Å; F63-P65 VanDerWaalsContact O-CD 3.22Å; F63-P65 WeakPolarHBondContact O-CD 3.47Å; F63-K68 HydrophobicContact CZ-CB 4.44Å; F63-E69 WeakPolarHBondContact CD2-O 3.11Å; F63-L83 HydrophobicContact CD2-CD1 4.1Å; F63-L83 HydrophobicContact CD2-CD2 4.33Å; F63-L83 HydrophobicContact CE2-CB 4.38Å; F63-L83 HydrophobicContact CE2-CD1 4.09Å; F63-L83 HydrophobicContact CE2-CD2 3.57Å; F63-L83 HydrophobicContact CE2-CG 4.21Å; F63-L83 HydrophobicContact CZ-CD2 4.06Å
64	D	88.5	Confident	92.2	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	100.9	162.7	-179.3	-9.8	0	0	0	108.8	G66 Q67 K68 E69 L145	D64-G66 VanDerWaalsContact C-N 3.25Å; D64-G66 PolarHBondContact O-N 3.3Å; D64-G66 WeakPolarHBondContact OD1-CA 3.21Å; D64-G66 PolarHBondContact OD1-N 3.2Å; D64-Q67 PolarHBondContact O-N 3.27Å; D64-Q67 PolarHBondContact OD1-N 2.84Å; D64-Q67 WeakPolarHBondContact OD2-CB 3.41Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.21Å; D64-K68 WeakPolarHBondContact O-CA 3.44Å; D64-K68 PolarHBondContact O-N 2.84Å; D64-E69 HydrophobicContact CB-CB 4.37Å; D64-E69 PolarHBondContact N-O 3.27Å; D64-E69 PolarHBondContact O-N 2.8Å; D64-L145 HydrophobicContact CB-CD2 3.81Å; D64-L145 HydrophobicContact CB-CG 4.18Å; D64-L145 VanDerWaalsContact OD2-CD2 3.24Å; D64-L145 WeakPolarHBondContact OD2-CD2 3.39Å; D64-L145 WeakPolarHBondContact OD2-CG 2.88Å
65	P	79.1	Confident	92.7	Very high	93 Å²	93	48.1 Å²	48.1	60%	0.604	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.9	179.7	28.1	-34.7	0	0	0	114.1	F63	F63-P65 HydrophobicContact CD1-CB 3.96Å; F63-P65 HydrophobicContact CE1-CB 3.74Å; F63-P65 VanDerWaalsContact O-CD 3.22Å; F63-P65 WeakPolarHBondContact O-CD 3.47Å
66	G	82.1	Confident	93	Very high	69 Å²	69	48 Å²	48	71%	0.711	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-42.1	178.8	0	0	0	0	0	111.9	D64	D64-G66 VanDerWaalsContact C-N 3.25Å; D64-G66 PolarHBondContact O-N 3.3Å; D64-G66 WeakPolarHBondContact OD1-CA 3.21Å; D64-G66 PolarHBondContact OD1-N 3.2Å
67	Q	84.4	Confident	93.2	Very high	82 Å²	82	46.5 Å²	46.5	38%	0.383	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.6	-174.1	-58.2	-171.3	-10.4	0	0	114	D64 E69	D64-Q67 PolarHBondContact O-N 3.27Å; D64-Q67 PolarHBondContact OD1-N 2.84Å; D64-Q67 WeakPolarHBondContact OD2-CB 3.41Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.21Å; Q67-E69 VanDerWaalsContact C-N 3.29Å; Q67-E69 HydrophobicContact CB-CB 4.43Å; Q67-E69 HydrophobicContact CB-CG 3.74Å; Q67-E69 PolarHBondContact OE1-OE1 2.93Å
68	K	90.2	Very high	93.5	Very high	123 Å²	123	43.5 Å²	43.5	54%	0.535	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	44.4	-171.3	-58.9	-179.6	176.5	-177.9	0	112.2	F63 D64 L83	F63-K68 HydrophobicContact CZ-CB 4.44Å; D64-K68 WeakPolarHBondContact O-CA 3.44Å; D64-K68 PolarHBondContact O-N 2.84Å; K68-L83 WeakPolarHBondContact O-CB 3.19Å; K68-L83 PolarHBondContact O-N 2.72Å
69	E	94.8	Very high	93.6	Very high	19 Å²	19	40 Å²	40	9%	0.089	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.6	-179.3	-62.4	-176.9	-173.8	0	0	111.1	F63 D64 Q67 R80 L81 I89	F63-E69 WeakPolarHBondContact CD2-O 3.11Å; D64-E69 HydrophobicContact CB-CB 4.37Å; D64-E69 PolarHBondContact N-O 3.27Å; D64-E69 PolarHBondContact O-N 2.8Å; Q67-E69 VanDerWaalsContact C-N 3.29Å; Q67-E69 HydrophobicContact CB-CB 4.43Å; Q67-E69 HydrophobicContact CB-CG 3.74Å; Q67-E69 PolarHBondContact OE1-OE1 2.93Å; E69-R80 IonicContact OE1-CZ 3.67Å; E69-R80 IonicContact OE1-NH2 2.74Å; E69-R80 PolarHBondContact OE1-NH2 2.84Å; E69-R80 IonicContact OE2-CZ 3.83Å; E69-R80 IonicContact OE2-NE 3.81Å; E69-R80 PolarHBondContact OE2-NE 2.9Å; E69-R80 IonicContact OE2-NH2 2.86Å; E69-R80 PolarHBondContact OE2-NH2 3.09Å; E69-L81 CarbonylContact C-O 3.53Å; E69-L81 WeakPolarHBondContact CA-O 3.08Å; E69-I89 HydrophobicContact CB-CD1 4.39Å; E69-I89 HydrophobicContact CG-CD1 3.6Å; E69-I89 WeakPolarHBondContact OE1-CD1 3.19Å
70	L	96.6	Very high	93.9	Very high	32 Å²	32	39 Å²	39	17%	0.168	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.8	173.3	-178.4	69	0	0	0	109.3	L61 V72 R80 L81 L83 L86	L61-L70 HydrophobicContact CB-CD1 4.47Å; L61-L70 HydrophobicContact CD2-CD2 4.45Å; L70-V72 HydrophobicContact CD2-CG2 3.96Å; L70-V72 HydrophobicContact CG-CG2 3.9Å; L70-R80 WeakPolarHBondContact O-CA 3.49Å; L70-L81 HydrophobicContact CB-CB 4.39Å; L70-L81 HydrophobicContact CD2-CD1 4.46Å; L70-L81 PolarHBondContact N-O 2.94Å; L70-L81 PolarHBondContact O-N 2.97Å; L70-L83 HydrophobicContact CB-CD1 4.23Å; L70-L86 HydrophobicContact CD2-CD2 3.92Å
71	V	97.4	Very high	94	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.8	171.7	-170.7	0	0	0	0	108.9	T62 F79 R80 L121 L128 L145 L148	T62-V71 HydrophobicContact CG2-CB 3.82Å; T62-V71 HydrophobicContact CG2-CG1 4.5Å; T62-V71 HydrophobicContact CG2-CG2 4.4Å; T62-V71 PolarHBondContact N-O 3.2Å; T62-V71 PolarHBondContact O-N 3.04Å; V71-F79 CarbonylContact C-O 3.59Å; V71-F79 VanDerWaalsContact CA-O 3.3Å; V71-F79 WeakPolarHBondContact CA-O 3.46Å; V71-R80 HydrophobicContact CG2-CG 4.29Å; V71-L121 HydrophobicContact CB-CD2 4.43Å; V71-L121 HydrophobicContact CG1-CD1 4.18Å; V71-L121 HydrophobicContact CG1-CD2 4.15Å; V71-L121 HydrophobicContact CG1-CG 4.49Å; V71-L121 WeakPolarHBondContact O-CD2 3.16Å; V71-L128 HydrophobicContact CG1-CD2 3.96Å; V71-L145 HydrophobicContact CG2-CD1 4.07Å; V71-L148 HydrophobicContact CG1-CD1 4.13Å
72	V	97.9	Very high	94	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125	-175.8	-173.4	0	0	0	0	110.5	F58 Q60 L61 L70 L78 F79 L81	F58-V72 HydrophobicContact CB-CG1 4.09Å; F58-V72 HydrophobicContact CD1-CG1 3.73Å; F58-V72 HydrophobicContact CG-CG1 4.4Å; Q60-V72 WeakPolarHBondContact O-CA 3.26Å; L61-V72 HydrophobicContact CD2-CB 4.06Å; L61-V72 HydrophobicContact CD2-CG1 3.68Å; L61-V72 HydrophobicContact CD2-CG2 3.63Å; L70-V72 HydrophobicContact CD2-CG2 3.96Å; L70-V72 HydrophobicContact CG-CG2 3.9Å; V72-L78 CarbonylContact O-C 3.52Å; V72-L78 WeakPolarHBondContact O-CA 3.4Å; V72-F79 HydrophobicContact CB-CB 4.24Å; V72-F79 PolarHBondContact N-O 3.31Å; V72-F79 PolarHBondContact O-N 3.02Å; V72-L81 HydrophobicContact CG2-CD1 3.82Å; V72-L81 HydrophobicContact CG2-CG 4.37Å
73	G	97.9	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.9	169.4	0	0	0	0	0	110.9	S59 Q60	S59-G73 PolarHBondContact N-O 3.12Å; S59-G73 VanDerWaalsContact N-O 3.14Å; Q60-G73 PolarHBondContact N-O 2.95Å; Q60-G73 PolarHBondContact O-N 2.82Å
74	A	97.7	Very high	93.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	175.6	178.6	0	0	0	0	0	110.9	A55 D57 F58 N76 Y77 F79 I118	A55-A74 HydrophobicContact CB-CB 4.43Å; D57-A74 WeakPolarHBondContact O-CA 3.16Å; F58-A74 HydrophobicContact CD1-CB 3.71Å; F58-A74 HydrophobicContact CE1-CB 3.99Å; F58-A74 HydrophobicContact CG-CB 4.26Å; A74-N76 PolarHBondContact O-N 3.35Å; A74-N76 VanDerWaalsContact O-N 3.16Å; A74-Y77 PolarHBondContact N-O 2.94Å; A74-Y77 PolarHBondContact O-N 3.44Å; A74-F79 HydrophobicContact CB-CD2 4.39Å; A74-F79 HydrophobicContact CB-CE2 3.89Å; A74-I118 VanDerWaalsContact O-CG1 3.26Å; A74-I118 WeakPolarHBondContact O-CG1 3.47Å
75	R	97.4	Very high	94	Very high	41 Å²	41	41.9 Å²	41.9	16%	0.155	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-60	121.8	168.8	-171.4	-172.8	76.9	178.1	0.4	109.4	V56 D57 Y77 E112 Q115 N116 Y117	V56-R75 HydrophobicContact CG2-CB 4.05Å; V56-R75 VanDerWaalsContact CG2-NE 3.32Å; V56-R75 VanDerWaalsContact O-CB 3.29Å; V56-R75 WeakPolarHBondContact O-CB 3.49Å; V56-R75 PolarHBondContact O-N 2.65Å; D57-R75 HydrophobicContact CB-CB 4.32Å; R75-Y77 VanDerWaalsContact O-CD2 3.3Å; R75-Y77 WeakPolarHBondContact O-CD2 3.34Å; R75-Y77 PolarHBondContact O-N 2.92Å; R75-E112 IonicContact CZ-OE1 2.69Å; R75-E112 IonicContact NH1-OE1 2.7Å; R75-E112 PolarHBondContact NH1-OE1 2.8Å; R75-E112 IonicContact NH1-OE2 3.63Å; R75-E112 PolarHBondContact NH1-OE2 3.21Å; R75-Q115 HydrophobicContact CG-CB 3.77Å; R75-Q115 HydrophobicContact CG-CG 4.36Å; R75-N116 CarbonylContact C-O 3.53Å; R75-N116 WeakPolarHBondContact CA-O 3.39Å; R75-Y117 HydrophobicContact CB-CD1 3.91Å; R75-Y117 HydrophobicContact CB-CE1 3.86Å; R75-Y117 WeakPolarHBondContact CD-OH 3.38Å; R75-Y117 HydrophobicContact CG-CD1 3.9Å; R75-Y117 HydrophobicContact CG-CD2 4.45Å; R75-Y117 HydrophobicContact CG-CE1 3.63Å; R75-Y117 HydrophobicContact CG-CE2 4.21Å; R75-Y117 HydrophobicContact CG-CG 4.33Å
76	N	97.8	Very high	94.8	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.027	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	3.5	177.7	-69.2	-3.2	0	0	0	116.1	A74 W94 E95 Q115 N116	A74-N76 PolarHBondContact O-N 3.35Å; A74-N76 VanDerWaalsContact O-N 3.16Å; N76-W94 CarbonylContact O-C 3.58Å; N76-W94 PolarHBondContact O-N 2.95Å; N76-E95 HydrophobicContact CB-CG 3.86Å; N76-E95 PolarHBondContact ND2-OE1 2.8Å; N76-Q115 PolarHBondContact ND2-OE1 2.88Å; N76-N116 PolarHBondContact N-O 3.25Å; N76-N116 PolarHBondContact OD1-N 2.81Å
77	Y	97.9	Very high	95.4	Very high	31 Å²	31	38.6 Å²	38.6	12%	0.122	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.3	-173.8	-67.3	-81.6	0	0	0	112.8	N54 A55 A74 R75 F79 V92 E93	N54-Y77 HydrophobicContact CB-CE2 4.2Å; A55-Y77 HydrophobicContact CB-CD2 3.6Å; A55-Y77 HydrophobicContact CB-CE2 4.22Å; A55-Y77 HydrophobicContact CB-CG 4.26Å; A74-Y77 PolarHBondContact N-O 2.94Å; A74-Y77 PolarHBondContact O-N 3.44Å; R75-Y77 VanDerWaalsContact O-CD2 3.3Å; R75-Y77 WeakPolarHBondContact O-CD2 3.34Å; R75-Y77 PolarHBondContact O-N 2.92Å; Y77-F79 VanDerWaalsContact CB-CE2 3.41Å; Y77-F79 VanDerWaalsContact CB-CZ 3.41Å; Y77-F79 HydrophobicContact CD1-CZ 4.25Å; Y77-F79 HydrophobicContact CD2-CZ 4.4Å; Y77-F79 HydrophobicContact CG-CE2 4.25Å; Y77-F79 AromaticContact CG-CZ 3.78Å; Y77-F79 HydrophobicContact CG-CZ 3.78Å; Y77-V92 WeakPolarHBondContact CA-O 3.33Å; Y77-E93 HydrophobicContact CD1-CB 4.07Å; Y77-E93 HydrophobicContact CD1-CG 4.4Å; Y77-E93 HydrophobicContact CE1-CB 3.68Å; Y77-E93 HydrophobicContact CE1-CG 3.77Å; Y77-E93 PolarHBondContact OH-OE1 2.86Å
78	L	98.1	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139	160.3	-62	169.3	0	0	0	108.6	V72 V92 W94 I118 L121 T130 L148	V72-L78 CarbonylContact O-C 3.52Å; V72-L78 WeakPolarHBondContact O-CA 3.4Å; L78-V92 PolarHBondContact N-O 2.98Å; L78-V92 PolarHBondContact O-N 2.99Å; L78-W94 HydrophobicContact CD1-CE3 4.01Å; L78-W94 HydrophobicContact CG-CE3 4.33Å; L78-I118 HydrophobicContact CD2-CD1 4.29Å; L78-I118 HydrophobicContact CD2-CG1 3.95Å; L78-I118 HydrophobicContact CD2-CG2 4.08Å; L78-L121 HydrophobicContact CD2-CD1 3.98Å; L78-T130 HydrophobicContact CD1-CG2 4.12Å; L78-L148 HydrophobicContact CB-CD1 3.68Å; L78-L148 HydrophobicContact CD1-CD1 4.47Å
79	F	97.9	Very high	96.3	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.5	176.6	-56.7	-80.9	0	0	0	110.8	F50 A52 A55 F58 V71 V72 A74 Y77 L81 L88 Q90 A91	F50-F79 HydrophobicContact CE1-CD1 4.05Å; F50-F79 HydrophobicContact CE1-CD2 4.12Å; F50-F79 HydrophobicContact CE1-CE1 4.28Å; F50-F79 HydrophobicContact CE1-CE2 4.35Å; F50-F79 AromaticContact CE1-CG 3.96Å; F50-F79 HydrophobicContact CE1-CG 3.96Å; F50-F79 HydrophobicContact CE1-CZ 4.43Å; F50-F79 AromaticContact CZ-CD1 3.7Å; F50-F79 HydrophobicContact CZ-CD1 3.7Å; F50-F79 AromaticContact CZ-CE1 3.94Å; F50-F79 HydrophobicContact CZ-CE1 3.94Å; F50-F79 HydrophobicContact CZ-CG 4.05Å; F50-F79 HydrophobicContact CZ-CZ 4.47Å; A52-F79 HydrophobicContact CB-CE1 4.07Å; A52-F79 HydrophobicContact CB-CZ 3.79Å; A55-F79 HydrophobicContact CB-CE2 3.86Å; A55-F79 HydrophobicContact CB-CZ 3.67Å; F58-F79 HydrophobicContact CD1-CD2 4.42Å; F58-F79 HydrophobicContact CD1-CE2 4.34Å; F58-F79 HydrophobicContact CE1-CD2 4.01Å; F58-F79 AromaticContact CE1-CE2 3.63Å; F58-F79 HydrophobicContact CE1-CE2 3.63Å; F58-F79 HydrophobicContact CE1-CZ 4.42Å; V71-F79 CarbonylContact C-O 3.59Å; V71-F79 VanDerWaalsContact CA-O 3.3Å; V71-F79 WeakPolarHBondContact CA-O 3.46Å; V72-F79 HydrophobicContact CB-CB 4.24Å; V72-F79 PolarHBondContact N-O 3.31Å; V72-F79 PolarHBondContact O-N 3.02Å; A74-F79 HydrophobicContact CB-CD2 4.39Å; A74-F79 HydrophobicContact CB-CE2 3.89Å; Y77-F79 VanDerWaalsContact CB-CE2 3.41Å; Y77-F79 VanDerWaalsContact CB-CZ 3.41Å; Y77-F79 HydrophobicContact CD1-CZ 4.25Å; Y77-F79 HydrophobicContact CD2-CZ 4.4Å; Y77-F79 HydrophobicContact CG-CE2 4.25Å; Y77-F79 AromaticContact CG-CZ 3.78Å; Y77-F79 HydrophobicContact CG-CZ 3.78Å; F79-L81 HydrophobicContact CB-CD2 4.24Å; F79-L81 HydrophobicContact CB-CG 4.41Å; F79-L88 HydrophobicContact CD1-CD1 3.92Å; F79-Q90 CarbonylContact C-O 3.54Å; F79-Q90 VanDerWaalsContact CA-O 3.31Å; F79-Q90 WeakPolarHBondContact CA-O 3.3Å; F79-A91 HydrophobicContact CD1-CB 3.7Å; F79-A91 HydrophobicContact CE1-CB 3.71Å
80	R	97.1	Very high	96.4	Very high	17 Å²	17	37.3 Å²	37.3	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.4	160.4	-70.9	174.2	55.7	-151.4	8	108.3	E69 L70 V71 I89 Q90 L145 S146 L148	E69-R80 IonicContact OE1-CZ 3.67Å; E69-R80 IonicContact OE1-NH2 2.74Å; E69-R80 PolarHBondContact OE1-NH2 2.84Å; E69-R80 IonicContact OE2-CZ 3.83Å; E69-R80 IonicContact OE2-NE 3.81Å; E69-R80 PolarHBondContact OE2-NE 2.9Å; E69-R80 IonicContact OE2-NH2 2.86Å; E69-R80 PolarHBondContact OE2-NH2 3.09Å; L70-R80 WeakPolarHBondContact O-CA 3.49Å; V71-R80 HydrophobicContact CG2-CG 4.29Å; R80-I89 HydrophobicContact CB-CB 4.1Å; R80-I89 WeakPolarHBondContact O-CB 3.21Å; R80-I89 PolarHBondContact O-N 3.29Å; R80-Q90 HydrophobicContact CB-CB 4.06Å; R80-Q90 HydrophobicContact CG-CB 4.48Å; R80-Q90 PolarHBondContact N-O 3.21Å; R80-Q90 PolarHBondContact O-N 3.4Å; R80-Q90 VanDerWaalsContact O-N 3.15Å; R80-L145 WeakPolarHBondContact CD-O 3.49Å; R80-L145 PolarHBondContact NE-O 2.83Å; R80-S146 PolarHBondContact NH1-O 3.37Å; R80-L148 HydrophobicContact CG-CD1 3.71Å; R80-L148 HydrophobicContact CG-CD2 4.35Å; R80-L148 HydrophobicContact CG-CG 3.87Å
81	L	97.2	Very high	96.5	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.8	-178	-51.2	177.5	0	0	0	109.3	F50 E69 L70 V72 F79 L83 S87 L88	F50-L81 HydrophobicContact CB-CD1 3.99Å; F50-L81 HydrophobicContact CD1-CD1 3.84Å; F50-L81 HydrophobicContact CD1-CD2 4.24Å; F50-L81 HydrophobicContact CD2-CD1 4.26Å; F50-L81 HydrophobicContact CD2-CD2 3.64Å; F50-L81 HydrophobicContact CE1-CD1 4.39Å; F50-L81 HydrophobicContact CE1-CD2 4.19Å; F50-L81 HydrophobicContact CE2-CD2 3.61Å; F50-L81 HydrophobicContact CG-CD1 3.75Å; F50-L81 HydrophobicContact CG-CD2 3.98Å; F50-L81 HydrophobicContact CZ-CD2 3.89Å; E69-L81 CarbonylContact C-O 3.53Å; E69-L81 WeakPolarHBondContact CA-O 3.08Å; L70-L81 HydrophobicContact CB-CB 4.39Å; L70-L81 HydrophobicContact CD2-CD1 4.46Å; L70-L81 PolarHBondContact N-O 2.94Å; L70-L81 PolarHBondContact O-N 2.97Å; V72-L81 HydrophobicContact CG2-CD1 3.82Å; V72-L81 HydrophobicContact CG2-CG 4.37Å; F79-L81 HydrophobicContact CB-CD2 4.24Å; F79-L81 HydrophobicContact CB-CG 4.41Å; L81-L83 PolarHBondContact O-N 3.23Å; L81-S87 CarbonylContact C-O 3.51Å; L81-S87 WeakPolarHBondContact CA-O 3.28Å; L81-L88 HydrophobicContact CD2-CB 4.36Å; L81-L88 HydrophobicContact CD2-CD1 3.78Å
82	Q	95.6	Very high	96.5	Very high	52 Å²	52	39 Å²	39	24%	0.243	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.1	167.3	-172.4	64.8	28.6	0	0	108.9	E84 D85 L86 S87 I89	Q82-E84 VanDerWaalsContact C-N 3.3Å; Q82-E84 HydrophobicContact CG-CB 4.49Å; Q82-E84 PolarHBondContact O-N 2.8Å; Q82-D85 WeakPolarHBondContact CB-OD1 3.34Å; Q82-L86 WeakPolarHBondContact O-CA 3.34Å; Q82-L86 PolarHBondContact O-N 3.4Å; Q82-S87 VanDerWaalsContact CB-OG 3.26Å; Q82-S87 WeakPolarHBondContact CB-OG 3.45Å; Q82-S87 PolarHBondContact N-O 3.27Å; Q82-I89 HydrophobicContact CB-CD1 4.32Å
83	L	93	Very high	96.4	Very high	81 Å²	81	44.2 Å²	44.2	42%	0.424	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-35.1	-176.6	-173.6	73.6	0	0	0	112.8	F63 K68 L70 L81	F63-L83 HydrophobicContact CD2-CD1 4.1Å; F63-L83 HydrophobicContact CD2-CD2 4.33Å; F63-L83 HydrophobicContact CE2-CB 4.38Å; F63-L83 HydrophobicContact CE2-CD1 4.09Å; F63-L83 HydrophobicContact CE2-CD2 3.57Å; F63-L83 HydrophobicContact CE2-CG 4.21Å; F63-L83 HydrophobicContact CZ-CD2 4.06Å; K68-L83 WeakPolarHBondContact O-CB 3.19Å; K68-L83 PolarHBondContact O-N 2.72Å; L70-L83 HydrophobicContact CB-CD1 4.23Å; L81-L83 PolarHBondContact O-N 3.23Å
84	E	90.9	Very high	96.4	Very high	143 Å²	143	45.6 Å²	45.6	67%	0.668	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-39.8	-169.8	-66.1	172.1	-177.1	0	0	113.5	Q82	Q82-E84 VanDerWaalsContact C-N 3.3Å; Q82-E84 HydrophobicContact CG-CB 4.49Å; Q82-E84 PolarHBondContact O-N 2.8Å
85	D	92.5	Very high	96.3	Very high	77 Å²	77	49.3 Å²	49.3	41%	0.412	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-1	-174.7	72.2	-10.2	0	0	0	114.3	Q82 S87	Q82-D85 WeakPolarHBondContact CB-OD1 3.34Å; D85-S87 PolarHBondContact O-N 3.27Å; D85-S87 WeakPolarHBondContact OD1-CB 3.32Å; D85-S87 PolarHBondContact OD1-N 2.65Å; D85-S87 PolarHBondContact OD1-OG 2.74Å; D85-S87 PolarHBondContact OD2-OG 3.28Å
86	L	95.4	Very high	96.2	Very high	42 Å²	42	47.6 Å²	47.6	22%	0.22	25%	0.246	C	C	.	.			trans	59.2	24.6	-175	-51.4	179.8	0	0	0	113.7	R48 F50 L70 Q82	R48-L86 HydrophobicContact CB-CD1 4.04Å; R48-L86 HydrophobicContact CB-CG 4.11Å; R48-L86 WeakPolarHBondContact O-CD1 3.44Å; F50-L86 HydrophobicContact CB-CB 4.17Å; L70-L86 HydrophobicContact CD2-CD2 3.92Å; Q82-L86 WeakPolarHBondContact O-CA 3.34Å; Q82-L86 PolarHBondContact O-N 3.4Å
87	S	95.7	Very high	96.2	Very high	50 Å²	50	51.2 Å²	51.2	35%	0.35	27%	0.265	S	S	.	.			trans	-64.8	142.8	172.9	58.3	0	0	0	0	111.1	L81 Q82 D85 I89	L81-S87 CarbonylContact C-O 3.51Å; L81-S87 WeakPolarHBondContact CA-O 3.28Å; Q82-S87 VanDerWaalsContact CB-OG 3.26Å; Q82-S87 WeakPolarHBondContact CB-OG 3.45Å; Q82-S87 PolarHBondContact N-O 3.27Å; D85-S87 PolarHBondContact O-N 3.27Å; D85-S87 WeakPolarHBondContact OD1-CB 3.32Å; D85-S87 PolarHBondContact OD1-N 2.65Å; D85-S87 PolarHBondContact OD1-OG 2.74Å; D85-S87 PolarHBondContact OD2-OG 3.28Å; S87-I89 PolarHBondContact O-N 2.76Å
88	L	97	Very high	96.1	Very high	92 Å²	92	55.3 Å²	55.3	48%	0.482	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.4	-176.6	-179.1	64.2	0	0	0	111.1	F50 F79 L81 Q90 A91	F50-L88 HydrophobicContact CE2-CB 4.12Å; F50-L88 HydrophobicContact CE2-CD1 4.04Å; F50-L88 HydrophobicContact CE2-CG 4.49Å; F50-L88 HydrophobicContact CZ-CD1 4.11Å; F79-L88 HydrophobicContact CD1-CD1 3.92Å; L81-L88 HydrophobicContact CD2-CB 4.36Å; L81-L88 HydrophobicContact CD2-CD1 3.78Å; L88-Q90 WeakPolarHBondContact CD1-O 3.48Å; L88-A91 HydrophobicContact CD1-CB 4.17Å; L88-A91 HydrophobicContact CD2-CB 4.25Å
89	I	96.7	Very high	96.1	Very high	71 Å²	71	58.6 Å²	58.6	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-49.4	172.2	-58.6	174.1	0	0	0	109.6	E69 R80 Q82 S87	E69-I89 HydrophobicContact CB-CD1 4.39Å; E69-I89 HydrophobicContact CG-CD1 3.6Å; E69-I89 WeakPolarHBondContact OE1-CD1 3.19Å; R80-I89 HydrophobicContact CB-CB 4.1Å; R80-I89 WeakPolarHBondContact O-CB 3.21Å; R80-I89 PolarHBondContact O-N 3.29Å; Q82-I89 HydrophobicContact CB-CD1 4.32Å; S87-I89 PolarHBondContact O-N 2.76Å
90	Q	97	Very high	96.1	Very high	34 Å²	34	59.5 Å²	59.5	16%	0.159	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	137.9	-177.8	-168.3	178.2	17.5	0	0	110.9	F79 R80 L88 V92 N147 T149	F79-Q90 CarbonylContact C-O 3.54Å; F79-Q90 VanDerWaalsContact CA-O 3.31Å; F79-Q90 WeakPolarHBondContact CA-O 3.3Å; R80-Q90 HydrophobicContact CB-CB 4.06Å; R80-Q90 HydrophobicContact CG-CB 4.48Å; R80-Q90 PolarHBondContact N-O 3.21Å; R80-Q90 PolarHBondContact O-N 3.4Å; R80-Q90 VanDerWaalsContact O-N 3.15Å; L88-Q90 WeakPolarHBondContact CD1-O 3.48Å; Q90-V92 HydrophobicContact CG-CG2 3.9Å; Q90-N147 PolarHBondContact NE2-OD1 2.93Å; Q90-T149 PolarHBondContact NE2-OG1 3.14Å
91	A	97.3	Very high	96.1	Very high	54 Å²	54	59.5 Å²	59.5	45%	0.446	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.4	167	0	0	0	0	0	108.7	F79 L88	F79-A91 HydrophobicContact CD1-CB 3.7Å; F79-A91 HydrophobicContact CE1-CB 3.71Å; L88-A91 HydrophobicContact CD1-CB 4.17Å; L88-A91 HydrophobicContact CD2-CB 4.25Å
92	V	97.6	Very high	96.1	Very high	14 Å²	14	65.6 Å²	65.6	9%	0.085	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120	177.3	179.8	0	0	0	0	109	Y77 L78 Q90 L148	Y77-V92 WeakPolarHBondContact CA-O 3.33Å; L78-V92 PolarHBondContact N-O 2.98Å; L78-V92 PolarHBondContact O-N 2.99Å; Q90-V92 HydrophobicContact CG-CG2 3.9Å; V92-L148 HydrophobicContact CB-CB 4.37Å; V92-L148 HydrophobicContact CG2-CB 3.72Å
93	E	97	Very high	96.2	Very high	114 Å²	114	65.2 Å²	65.2	53%	0.533	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.3	171.7	-171.9	159.9	-128.3	0	0	109.7	Y77 E95	Y77-E93 HydrophobicContact CD1-CB 4.07Å; Y77-E93 HydrophobicContact CD1-CG 4.4Å; Y77-E93 HydrophobicContact CE1-CB 3.68Å; Y77-E93 HydrophobicContact CE1-CG 3.77Å; Y77-E93 PolarHBondContact OH-OE1 2.86Å; E93-E95 HydrophobicContact CG-CG 3.65Å
94	W	96.8	Very high	96.4	Very high	29 Å²	29	61.5 Å²	61.5	11%	0.11	33%	0.332	C	S	.	.			trans	-135.6	63.5	178	-169.8	20.3	0	0	0	109.6	N76 L78 N116 I118 T130 V139 T141 R143	N76-W94 CarbonylContact O-C 3.58Å; N76-W94 PolarHBondContact O-N 2.95Å; L78-W94 HydrophobicContact CD1-CE3 4.01Å; L78-W94 HydrophobicContact CG-CE3 4.33Å; W94-N116 WeakPolarHBondContact O-CB 3.31Å; W94-N116 PolarHBondContact O-ND2 2.65Å; W94-I118 HydrophobicContact CD2-CD1 4.26Å; W94-I118 HydrophobicContact CE3-CD1 3.25Å; W94-I118 HydrophobicContact CH2-CD1 4.5Å; W94-I118 HydrophobicContact CZ3-CD1 3.41Å; W94-I118 VanDerWaalsContact CZ3-CD1 3.41Å; W94-T130 HydrophobicContact CE3-CG2 4.45Å; W94-T130 HydrophobicContact CH2-CG2 4.1Å; W94-T130 HydrophobicContact CZ3-CG2 3.62Å; W94-V139 HydrophobicContact CZ2-CG1 4.37Å; W94-T141 HydrophobicContact CH2-CG2 4.24Å; W94-T141 HydrophobicContact CZ2-CG2 3.71Å; W94-R143 VanDerWaalsContact CG-NH2 3.26Å
95	E	96.3	Very high	96.7	Very high	78 Å²	78	58.9 Å²	58.9	36%	0.364	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-77.2	161	176.3	-62	-144.4	149.4	0	0	113	N76 E93 K101	N76-E95 HydrophobicContact CB-CG 3.86Å; N76-E95 PolarHBondContact ND2-OE1 2.8Å; E93-E95 HydrophobicContact CG-CG 3.65Å; E95-K101 IonicContact OE2-NZ 2.65Å; E95-K101 PolarHBondContact OE2-NZ 2.97Å
96	C	96.5	Very high	97	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.041	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-70.3	144.6	165.6	-48.5	0	0	0	0	110.8	K101 Q115 N116 N134 A135	C96-K101 HydrophobicContact CB-CD 4.38Å; C96-K101 HydrophobicContact CB-CG 3.76Å; C96-K101 WeakPolarHBondContact O-CE 3.46Å; C96-K101 PolarHBondContact O-NZ 2.91Å; C96-Q115 VanDerWaalsContact SG-C 3.57Å; C96-N116 PolarHBondContact SG-N 3Å; C96-N116 VanDerWaalsContact SG-N 3.44Å; C96-N134 WeakPolarHBondContact CA-OD1 3.38Å; C96-N134 WeakPolarHBondContact CB-OD1 3.38Å; C96-N134 VanDerWaalsContact SG-CA 3.52Å; C96-N134 PolarHBondContact SG-OD1 2.81Å; C96-A135 HydrophobicContact CB-CB 4.26Å; C96-A135 PolarHBondContact SG-N 2.92Å; C96-A135 VanDerWaalsContact SG-N 3.36Å
97	D	96.6	Very high	97	Very high	81 Å²	81	63.8 Å²	63.8	43%	0.433	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67.3	158.4	168.4	69.3	-84.4	0	0	0	111.8	A99 T100 K101	D97-A99 VanDerWaalsContact C-N 3.28Å; D97-A99 PolarHBondContact O-N 2.74Å; D97-A99 WeakPolarHBondContact OD2-CA 3.5Å; D97-A99 VanDerWaalsContact OD2-CB 3.31Å; D97-A99 WeakPolarHBondContact OD2-CB 3.46Å; D97-A99 PolarHBondContact OD2-N 2.91Å; D97-T100 VanDerWaalsContact CG-OG1 3.26Å; D97-T100 PolarHBondContact O-N 2.79Å; D97-T100 VanDerWaalsContact OD1-CB 3.28Å; D97-T100 WeakPolarHBondContact OD1-CB 3.35Å; D97-T100 PolarHBondContact OD1-OG1 3.49Å; D97-T100 PolarHBondContact OD2-N 3.24Å; D97-T100 PolarHBondContact OD2-OG1 3.31Å; D97-K101 PolarHBondContact O-N 3.08Å
98	E	96.8	Very high	97	Very high	117 Å²	117	64.8 Å²	64.8	55%	0.547	36%	0.364	S	S	.	.	H	α-helix	trans	-64.2	-29.1	-176.1	-72.4	-59.4	128.8	0	0	113.7	K101 K102	E98-K101 IonicContact OE1-NZ 2.89Å; E98-K102 WeakPolarHBondContact O-CB 3.3Å; E98-K102 VanDerWaalsContact O-CG 3.22Å; E98-K102 WeakPolarHBondContact O-CG 3.37Å; E98-K102 PolarHBondContact O-N 2.98Å
99	A	97.5	Very high	97	Very high	69 Å²	69	63.1 Å²	63.1	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-71.3	-43.1	177.6	0	0	0	0	0	110.6	D97 K102 A103	D97-A99 VanDerWaalsContact C-N 3.28Å; D97-A99 PolarHBondContact O-N 2.74Å; D97-A99 WeakPolarHBondContact OD2-CA 3.5Å; D97-A99 VanDerWaalsContact OD2-CB 3.31Å; D97-A99 WeakPolarHBondContact OD2-CB 3.46Å; D97-A99 PolarHBondContact OD2-N 2.91Å; A99-K102 PolarHBondContact O-N 2.84Å; A99-A103 WeakPolarHBondContact O-CB 3.46Å; A99-A103 PolarHBondContact O-N 3.37Å
100	T	97.3	Very high	97	Very high	24 Å²	24	62.2 Å²	62.2	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-63.2	-43.5	175.1	-58.7	0	0	0	0	111.4	D97 K102 A103 C104 N134 A135	D97-T100 VanDerWaalsContact CG-OG1 3.26Å; D97-T100 PolarHBondContact O-N 2.79Å; D97-T100 VanDerWaalsContact OD1-CB 3.28Å; D97-T100 WeakPolarHBondContact OD1-CB 3.35Å; D97-T100 PolarHBondContact OD1-OG1 3.49Å; D97-T100 PolarHBondContact OD2-N 3.24Å; D97-T100 PolarHBondContact OD2-OG1 3.31Å; T100-K102 PolarHBondContact O-N 2.72Å; T100-A103 PolarHBondContact O-N 2.83Å; T100-C104 PolarHBondContact O-N 3.28Å; T100-N134 WeakPolarHBondContact CG2-O 3.47Å; T100-A135 HydrophobicContact CG2-CB 4.19Å
101	K	97.4	Very high	96.9	Very high	17 Å²	17	68.2 Å²	68.2	7%	0.074	38%	0.378	C	S	.	.	H	α-helix	trans	-58.9	-47.7	174.1	-70.9	176.1	179.3	163.6	0	111.4	E95 C96 D97 E98 A103 C104 Y105	E95-K101 IonicContact OE2-NZ 2.65Å; E95-K101 PolarHBondContact OE2-NZ 2.97Å; C96-K101 HydrophobicContact CB-CD 4.38Å; C96-K101 HydrophobicContact CB-CG 3.76Å; C96-K101 WeakPolarHBondContact O-CE 3.46Å; C96-K101 PolarHBondContact O-NZ 2.91Å; D97-K101 PolarHBondContact O-N 3.08Å; E98-K101 IonicContact OE1-NZ 2.89Å; K101-A103 PolarHBondContact O-N 2.87Å; K101-C104 WeakPolarHBondContact O-CB 3.41Å; K101-C104 PolarHBondContact O-N 2.05Å; K101-Y105 HydrophobicContact CB-CE2 4.13Å; K101-Y105 WeakPolarHBondContact O-CD2 3.17Å; K101-Y105 PolarHBondContact O-N 3.15Å
102	K	97.4	Very high	96.7	Very high	132 Å²	132	70.3 Å²	70.3	57%	0.574	38%	0.379	S	S	*	.	H	α-helix	trans	-59.7	-44.1	176.7	-75.8	172.5	-174.5	177	0	112.3	E98 A99 T100 C104 Y105 S106	E98-K102 WeakPolarHBondContact O-CB 3.3Å; E98-K102 VanDerWaalsContact O-CG 3.22Å; E98-K102 WeakPolarHBondContact O-CG 3.37Å; E98-K102 PolarHBondContact O-N 2.98Å; A99-K102 PolarHBondContact O-N 2.84Å; T100-K102 PolarHBondContact O-N 2.72Å; K102-C104 VanDerWaalsContact C-N 3.3Å; K102-C104 PolarHBondContact O-N 2.81Å; K102-Y105 PolarHBondContact O-N 2.88Å; K102-S106 PolarHBondContact O-N 2.81Å; K102-S106 PolarHBondContact O-OG 2.87Å; K102-S106 VanDerWaalsContact O-OG 3.13Å
103	A	97.4	Very high	96.6	Very high	45 Å²	45	71.4 Å²	71.4	37%	0.372	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-38.3	176.9	0	0	0	0	0	112.2	A99 T100 K101 S106 K107	A99-A103 WeakPolarHBondContact O-CB 3.46Å; A99-A103 PolarHBondContact O-N 3.37Å; T100-A103 PolarHBondContact O-N 2.83Å; K101-A103 PolarHBondContact O-N 2.87Å; A103-S106 PolarHBondContact O-N 2.83Å; A103-K107 WeakPolarHBondContact O-CG 3.38Å; A103-K107 PolarHBondContact O-N 3.29Å
104	C	97.6	Very high	96.7	Very high	2 Å²	2	66 Å²	66	1%	0.014	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-44.5	173.8	179.2	0	0	0	0	111.9	T100 K101 K102 S106 K107 K109 C114 A135	T100-C104 PolarHBondContact O-N 3.28Å; K101-C104 WeakPolarHBondContact O-CB 3.41Å; K101-C104 PolarHBondContact O-N 2.05Å; K102-C104 VanDerWaalsContact C-N 3.3Å; K102-C104 PolarHBondContact O-N 2.81Å; C104-S106 PolarHBondContact O-N 2.83Å; C104-K107 WeakPolarHBondContact O-CB 3.15Å; C104-K107 PolarHBondContact O-N 2.85Å; C104-K107 VanDerWaalsContact O-N 3.09Å; C104-K109 PolarHBondContact O-N 3.31Å; C104-K109 VanDerWaalsContact SG-CB 3.56Å; C104-C114 HydrophobicContact CB-CB 3.76Å; C104-C114 WeakPolarHBondContact CB-SG 3.43Å; C104-C114 WeakPolarHBondContact SG-CA 3.09Å; C104-C114 WeakPolarHBondContact SG-CB 3.38Å; C104-C114 CovalentContact SG-SG 2.04Å; C104-C114 PolarHBondContact SG-SG 2.62Å; C104-A135 HydrophobicContact CB-CB 3.9Å; C104-A135 WeakPolarHBondContact CB-O 3.49Å
105	Y	97.8	Very high	96.7	Very high	88 Å²	88	65.5 Å²	65.5	35%	0.345	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-40.7	175	-60.9	-41.4	0	0	0	113.1	K101 K102 K107 G108 K111 C114	K101-Y105 HydrophobicContact CB-CE2 4.13Å; K101-Y105 WeakPolarHBondContact O-CD2 3.17Å; K101-Y105 PolarHBondContact O-N 3.15Å; K102-Y105 PolarHBondContact O-N 2.88Å; Y105-K107 PolarHBondContact O-N 2.89Å; Y105-K107 VanDerWaalsContact O-N 3.16Å; Y105-G108 PolarHBondContact O-N 3.28Å; Y105-K111 HydrophobicContact CE1-CB 4.41Å; Y105-C114 HydrophobicContact CD1-CB 4.12Å; Y105-C114 VanDerWaalsContact CD1-SG 3.53Å; Y105-C114 HydrophobicContact CE1-CB 3.5Å; Y105-C114 VanDerWaalsContact CE1-CB 3.5Å; Y105-C114 VanDerWaalsContact CE1-SG 3.52Å
106	S	97.2	Very high	96.8	Very high	111 Å²	111	61.8 Å²	61.8	78%	0.776	34%	0.339	S	S	*	.	H	α-helix	trans	-61.8	-21.1	175.6	-60.2	0	0	0	0	113.1	K102 A103 C104 G108	K102-S106 PolarHBondContact O-N 2.81Å; K102-S106 PolarHBondContact O-OG 2.87Å; K102-S106 VanDerWaalsContact O-OG 3.13Å; A103-S106 PolarHBondContact O-N 2.83Å; C104-S106 PolarHBondContact O-N 2.83Å; S106-G108 VanDerWaalsContact C-N 3.3Å
107	K	95.4	Very high	96.9	Very high	112 Å²	112	62 Å²	62	49%	0.487	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	8.1	172.6	-63.7	173.7	-174.9	175.9	0	113.4	A103 C104 Y105 F187	A103-K107 WeakPolarHBondContact O-CG 3.38Å; A103-K107 PolarHBondContact O-N 3.29Å; C104-K107 WeakPolarHBondContact O-CB 3.15Å; C104-K107 PolarHBondContact O-N 2.85Å; C104-K107 VanDerWaalsContact O-N 3.09Å; Y105-K107 PolarHBondContact O-N 2.89Å; Y105-K107 VanDerWaalsContact O-N 3.16Å; K107-F187 HydrophobicContact CB-CE1 4.48Å; K107-F187 HydrophobicContact CB-CE2 4.35Å; K107-F187 HydrophobicContact CB-CZ 3.78Å; K107-F187 HydrophobicContact CD-CD2 4.1Å; K107-F187 HydrophobicContact CD-CE1 4.46Å; K107-F187 HydrophobicContact CD-CE2 3.49Å; K107-F187 VanDerWaalsContact CD-CE2 3.49Å; K107-F187 HydrophobicContact CD-CZ 3.71Å; K107-F187 HydrophobicContact CG-CZ 4.34Å
108	G	95.9	Very high	96.9	Very high	70 Å²	70	58.1 Å²	58.1	72%	0.722	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	17.3	174.9	0	0	0	0	0	115.2	Y105 S106	Y105-G108 PolarHBondContact O-N 3.28Å; S106-G108 VanDerWaalsContact C-N 3.3Å
109	K	96.8	Very high	97	Very high	57 Å²	57	54.1 Å²	54.1	25%	0.248	30%	0.299	C	S	.	.			trans	-87.4	152.6	179.3	-66.3	-60.1	-169.3	169	0	112.4	C104 E113 C114 F136 F187	C104-K109 PolarHBondContact O-N 3.31Å; C104-K109 VanDerWaalsContact SG-CB 3.56Å; K109-E113 HydrophobicContact CB-CB 4.32Å; K109-E113 WeakPolarHBondContact CD-OE1 3.08Å; K109-E113 IonicContact NZ-OE1 2.84Å; K109-E113 PolarHBondContact NZ-OE1 2.85Å; K109-C114 VanDerWaalsContact CB-SG 3.51Å; K109-F136 HydrophobicContact CD-CE1 4.22Å; K109-F136 HydrophobicContact CD-CE2 4.17Å; K109-F136 HydrophobicContact CD-CZ 3.87Å; K109-F136 VanDerWaalsContact CE-CZ 3.45Å; K109-F136 HydrophobicContact CG-CD2 4.32Å; K109-F136 HydrophobicContact CG-CE2 4.2Å; K109-F136 HydrophobicContact CG-CZ 4.31Å; K109-F187 HydrophobicContact CG-CZ 4.07Å
110	S	96.5	Very high	97	Very high	52 Å²	52	51 Å²	51	36%	0.364	27%	0.273	S	S	.	.			trans	-77.6	162.9	-178.1	64.9	0	0	0	0	113.1	E112 E113 C114	S110-E112 PolarHBondContact O-N 3.14Å; S110-E113 WeakPolarHBondContact CB-OE2 3.39Å; S110-E113 PolarHBondContact N-OE2 3.18Å; S110-E113 PolarHBondContact O-N 3Å; S110-E113 VanDerWaalsContact O-N 3.16Å; S110-E113 WeakPolarHBondContact OG-CB 3.04Å; S110-E113 WeakPolarHBondContact OG-CG 3.41Å; S110-E113 PolarHBondContact OG-N 2.89Å; S110-E113 PolarHBondContact OG-OE2 2.72Å; S110-C114 WeakPolarHBondContact O-CB 3.36Å; S110-C114 PolarHBondContact O-N 3.02Å; S110-C114 PolarHBondContact O-SG 2.95Å
111	K	94.9	Very high	97	Very high	160 Å²	160	50.1 Å²	50.1	70%	0.696	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.4	172.3	-173.4	175.2	179.1	-178	0	112.9	Y105 Q115	Y105-K111 HydrophobicContact CE1-CB 4.41Å; K111-Q115 PolarHBondContact O-NE2 2.9Å
112	E	94.8	Very high	97	Very high	99 Å²	99	50.9 Å²	50.9	46%	0.463	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-38.8	179.4	-170.5	59.3	-153.9	0	0	111.6	R75 S110 Y117	R75-E112 IonicContact CZ-OE1 2.69Å; R75-E112 IonicContact NH1-OE1 2.7Å; R75-E112 PolarHBondContact NH1-OE1 2.8Å; R75-E112 IonicContact NH1-OE2 3.63Å; R75-E112 PolarHBondContact NH1-OE2 3.21Å; S110-E112 PolarHBondContact O-N 3.14Å; E112-Y117 VanDerWaalsContact O-CE2 3.28Å; E112-Y117 WeakPolarHBondContact O-CE2 3.46Å; E112-Y117 PolarHBondContact O-OH 3.28Å; E112-Y117 PolarHBondContact OE1-OH 2.92Å
113	E	95.6	Very high	96.8	Very high	37 Å²	37	46.7 Å²	46.7	17%	0.173	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-35.1	176.6	-83.2	174.3	112.5	0	0	113.2	K109 S110 Q115 F136	K109-E113 HydrophobicContact CB-CB 4.32Å; K109-E113 WeakPolarHBondContact CD-OE1 3.08Å; K109-E113 IonicContact NZ-OE1 2.84Å; K109-E113 PolarHBondContact NZ-OE1 2.85Å; S110-E113 WeakPolarHBondContact CB-OE2 3.39Å; S110-E113 PolarHBondContact N-OE2 3.18Å; S110-E113 PolarHBondContact O-N 3Å; S110-E113 VanDerWaalsContact O-N 3.16Å; S110-E113 WeakPolarHBondContact OG-CB 3.04Å; S110-E113 WeakPolarHBondContact OG-CG 3.41Å; S110-E113 PolarHBondContact OG-N 2.89Å; S110-E113 PolarHBondContact OG-OE2 2.72Å; E113-Q115 PolarHBondContact O-N 2.77Å; E113-F136 HydrophobicContact CB-CE2 3.82Å; E113-F136 HydrophobicContact CB-CZ 4.45Å; E113-F136 HydrophobicContact CG-CE2 4.31Å; E113-F136 HydrophobicContact CG-CZ 4.49Å
114	C	97.4	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-83.1	50.1	-178.4	-59.9	0	0	0	0	112.9	C104 Y105 K109 S110 A135	C104-C114 HydrophobicContact CB-CB 3.76Å; C104-C114 WeakPolarHBondContact CB-SG 3.43Å; C104-C114 WeakPolarHBondContact SG-CA 3.09Å; C104-C114 WeakPolarHBondContact SG-CB 3.38Å; C104-C114 CovalentContact SG-SG 2.04Å; C104-C114 PolarHBondContact SG-SG 2.62Å; Y105-C114 HydrophobicContact CD1-CB 4.12Å; Y105-C114 VanDerWaalsContact CD1-SG 3.53Å; Y105-C114 HydrophobicContact CE1-CB 3.5Å; Y105-C114 VanDerWaalsContact CE1-CB 3.5Å; Y105-C114 VanDerWaalsContact CE1-SG 3.52Å; K109-C114 VanDerWaalsContact CB-SG 3.51Å; S110-C114 WeakPolarHBondContact O-CB 3.36Å; S110-C114 PolarHBondContact O-N 3.02Å; S110-C114 PolarHBondContact O-SG 2.95Å; C114-A135 HydrophobicContact CB-CB 4.08Å
115	Q	97.4	Very high	96.1	Very high	18 Å²	18	49.3 Å²	49.3	8%	0.084	29%	0.289	C	S	.	.	S	Bend	trans	-121.9	171.5	173.2	-55.3	-59	-37.6	0	0	110.2	R75 N76 C96 K111 E113 Y117 T133 A135	R75-Q115 HydrophobicContact CG-CB 3.77Å; R75-Q115 HydrophobicContact CG-CG 4.36Å; N76-Q115 PolarHBondContact ND2-OE1 2.88Å; C96-Q115 VanDerWaalsContact SG-C 3.57Å; K111-Q115 PolarHBondContact O-NE2 2.9Å; E113-Q115 PolarHBondContact O-N 2.77Å; Q115-Y117 HydrophobicContact CB-CD2 4.2Å; Q115-Y117 HydrophobicContact CB-CE2 3.69Å; Q115-Y117 HydrophobicContact CG-CE2 4.48Å; Q115-T133 PolarHBondContact O-OG1 2.88Å; Q115-A135 PolarHBondContact O-N 2.86Å
116	N	98.3	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.303	C	S	.	.			trans	-93.6	102.1	174.1	-169.4	21.4	0	0	0	110.2	R75 N76 W94 C96 G132 T133 N134	R75-N116 CarbonylContact C-O 3.53Å; R75-N116 WeakPolarHBondContact CA-O 3.39Å; N76-N116 PolarHBondContact N-O 3.25Å; N76-N116 PolarHBondContact OD1-N 2.81Å; W94-N116 WeakPolarHBondContact O-CB 3.31Å; W94-N116 PolarHBondContact O-ND2 2.65Å; C96-N116 PolarHBondContact SG-N 3Å; C96-N116 VanDerWaalsContact SG-N 3.44Å; N116-G132 VanDerWaalsContact OD1-C 3.23Å; N116-G132 WeakPolarHBondContact OD1-CA 3.3Å; N116-T133 PolarHBondContact OD1-N 3.43Å; N116-N134 WeakPolarHBondContact OD1-CA 3.47Å; N116-N134 PolarHBondContact OD1-N 3.16Å
117	Y	98.3	Very high	95.6	Very high	11 Å²	11	50.2 Å²	50.2	4%	0.043	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-94.4	120.6	175.3	-66.8	-96.4	0	0	0	109.6	D57 R75 E112 Q115 R119 G132 T133 P165	D57-Y117 HydrophobicContact CB-CD1 4.09Å; D57-Y117 HydrophobicContact CB-CE1 4.08Å; D57-Y117 VanDerWaalsContact OD2-CD1 3.24Å; D57-Y117 WeakPolarHBondContact OD2-CD1 3.18Å; R75-Y117 HydrophobicContact CB-CD1 3.91Å; R75-Y117 HydrophobicContact CB-CE1 3.86Å; R75-Y117 WeakPolarHBondContact CD-OH 3.38Å; R75-Y117 HydrophobicContact CG-CD1 3.9Å; R75-Y117 HydrophobicContact CG-CD2 4.45Å; R75-Y117 HydrophobicContact CG-CE1 3.63Å; R75-Y117 HydrophobicContact CG-CE2 4.21Å; R75-Y117 HydrophobicContact CG-CG 4.33Å; E112-Y117 VanDerWaalsContact O-CE2 3.28Å; E112-Y117 WeakPolarHBondContact O-CE2 3.46Å; E112-Y117 PolarHBondContact O-OH 3.28Å; E112-Y117 PolarHBondContact OE1-OH 2.92Å; Q115-Y117 HydrophobicContact CB-CD2 4.2Å; Q115-Y117 HydrophobicContact CB-CE2 3.69Å; Q115-Y117 HydrophobicContact CG-CE2 4.48Å; Y117-R119 PolarHBondContact O-N 3.4Å; Y117-G132 CarbonylContact O-C 3.6Å; Y117-G132 WeakPolarHBondContact O-CA 3.41Å; Y117-T133 PolarHBondContact N-OG1 2.85Å; Y117-T133 PolarHBondContact O-N 3.26Å; Y117-P165 HydrophobicContact CD1-CB 4.02Å; Y117-P165 HydrophobicContact CD2-CB 3.45Å; Y117-P165 VanDerWaalsContact CD2-CB 3.45Å; Y117-P165 HydrophobicContact CD2-CG 3.73Å; Y117-P165 HydrophobicContact CE1-CB 4.35Å; Y117-P165 HydrophobicContact CE2-CB 3.83Å; Y117-P165 HydrophobicContact CE2-CG 3.71Å; Y117-P165 HydrophobicContact CG-CB 3.54Å; Y117-P165 HydrophobicContact CG-CG 4.32Å
118	I	98.3	Very high	95.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.8	176.2	-53	-53.7	0	0	0	108.9	S59 Q60 A74 L78 W94 L121	S59-I118 PolarHBondContact OG-O 2.95Å; Q60-I118 WeakPolarHBondContact CG-O 3.37Å; A74-I118 VanDerWaalsContact O-CG1 3.26Å; A74-I118 WeakPolarHBondContact O-CG1 3.47Å; L78-I118 HydrophobicContact CD2-CD1 4.29Å; L78-I118 HydrophobicContact CD2-CG1 3.95Å; L78-I118 HydrophobicContact CD2-CG2 4.08Å; W94-I118 HydrophobicContact CD2-CD1 4.26Å; W94-I118 HydrophobicContact CE3-CD1 3.25Å; W94-I118 HydrophobicContact CH2-CD1 4.5Å; W94-I118 HydrophobicContact CZ3-CD1 3.41Å; W94-I118 VanDerWaalsContact CZ3-CD1 3.41Å; I118-L121 HydrophobicContact CG2-CD1 4.44Å
119	R	97.8	Very high	95.7	Very high	33 Å²	33	42 Å²	42	13%	0.125	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-13.7	-175.6	-65.1	-65	-177.1	-137.4	-4.9	113.4	D57 S59 Q60 Y117 C131 T133 P162 P165	D57-R119 IonicContact OD2-CZ 3.06Å; D57-R119 VanDerWaalsContact OD2-CZ 3.25Å; D57-R119 IonicContact OD2-NH1 2.97Å; D57-R119 PolarHBondContact OD2-NH1 3.15Å; D57-R119 IonicContact OD2-NH2 2.89Å; D57-R119 PolarHBondContact OD2-NH2 2.73Å; S59-R119 VanDerWaalsContact CB-NH1 3.27Å; S59-R119 PolarHBondContact OG-NH1 3.28Å; Q60-R119 PolarHBondContact OE1-O 3.43Å; Y117-R119 PolarHBondContact O-N 3.4Å; R119-C131 PolarHBondContact N-O 3.3Å; R119-T133 HydrophobicContact CG-CG2 3.96Å; R119-P162 HydrophobicContact CB-CG 4.1Å; R119-P162 HydrophobicContact CG-CG 3.93Å; R119-P165 VanDerWaalsContact CZ-O 3.29Å; R119-P165 PolarHBondContact NE-O 2.98Å; R119-P165 VanDerWaalsContact NH2-CB 3.35Å; R119-P165 PolarHBondContact NH2-O 3.16Å
120	V	98.1	Very high	95.8	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.3	173.2	-178.4	0	0	0	0	108.3	L122 F129 T130 C131 R160 C161 A171	V120-L122 HydrophobicContact CG1-CD1 3.56Å; V120-L122 HydrophobicContact CG1-CG 3.73Å; V120-F129 HydrophobicContact CG1-CD1 4.2Å; V120-F129 HydrophobicContact CG1-CE1 4.3Å; V120-T130 CarbonylContact O-C 3.48Å; V120-T130 VanDerWaalsContact O-CA 3.22Å; V120-T130 WeakPolarHBondContact O-CA 3.37Å; V120-T130 PolarHBondContact O-OG1 3.31Å; V120-C131 HydrophobicContact CB-CB 3.82Å; V120-C131 HydrophobicContact CG2-CB 4.06Å; V120-C131 PolarHBondContact N-O 2.81Å; V120-C131 PolarHBondContact O-N 2.88Å; V120-R160 WeakPolarHBondContact CG2-O 3.35Å; V120-C161 HydrophobicContact CG2-CB 4.5Å; V120-A171 HydrophobicContact CG1-CB 4.01Å; V120-A171 HydrophobicContact CG2-CB 4Å
121	L	97.4	Very high	95.9	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	91.3	-179.4	-166.2	72.1	0	0	0	109.1	Q60 T62 V71 L78 I118 L128	Q60-L121 HydrophobicContact CB-CB 3.86Å; Q60-L121 HydrophobicContact CB-CD2 4.11Å; T62-L121 HydrophobicContact CG2-CD2 3.76Å; T62-L121 HydrophobicContact CG2-CG 3.65Å; V71-L121 HydrophobicContact CB-CD2 4.43Å; V71-L121 HydrophobicContact CG1-CD1 4.18Å; V71-L121 HydrophobicContact CG1-CD2 4.15Å; V71-L121 HydrophobicContact CG1-CG 4.49Å; V71-L121 WeakPolarHBondContact O-CD2 3.16Å; L78-L121 HydrophobicContact CD2-CD1 3.98Å; I118-L121 HydrophobicContact CG2-CD1 4.44Å; L121-L128 HydrophobicContact CD1-CD1 3.84Å; L121-L128 HydrophobicContact CD1-CD2 3.86Å; L121-L128 HydrophobicContact CD1-CG 4.17Å; L121-L128 HydrophobicContact CG-CD1 4.1Å
122	L	96.7	Very high	96.1	Very high	32 Å²	32	29.2 Å²	29.2	17%	0.168	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.2	-168.9	-59.1	172.4	0	0	0	110.3	V120 F129 A171 L173 L179	V120-L122 HydrophobicContact CG1-CD1 3.56Å; V120-L122 HydrophobicContact CG1-CG 3.73Å; L122-F129 HydrophobicContact CD1-CD1 4.45Å; L122-F129 PolarHBondContact N-O 2.85Å; L122-F129 PolarHBondContact O-N 2.86Å; L122-A171 HydrophobicContact CD1-CB 4.11Å; L122-L173 HydrophobicContact CB-CB 4.17Å; L122-L173 HydrophobicContact CD1-CB 4.03Å; L122-L179 HydrophobicContact CD1-CD1 3.68Å
123	V	94.5	Very high	96.2	Very high	44 Å²	44	24.5 Å²	24.5	27%	0.267	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.4	176.3	178.2	0	0	0	0	109	T62 L128 L145	T62-V123 HydrophobicContact CG2-CG2 3.71Å; V123-L128 HydrophobicContact CG2-CD1 4.06Å; V123-L145 HydrophobicContact CG1-CD2 3.76Å; V123-L145 HydrophobicContact CG2-CD1 3.97Å; V123-L145 HydrophobicContact CG2-CD2 4.46Å
124	G	90.6	Very high	96.3	Very high	32 Å²	32	23.4 Å²	23.4	33%	0.33	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	95.5	175.8	0	0	0	0	0	110.1	D126 R127	G124-D126 PolarHBondContact O-N 3.36Å; G124-R127 PolarHBondContact N-O 2.91Å; G124-R127 PolarHBondContact O-N 2.95Å
125	G	88.9	Confident	96.4	Very high	70 Å²	70	23.5 Å²	23.5	72%	0.722	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	-125.1	-173.2	0	0	0	0	0	111.7	R127	G125-R127 VanDerWaalsContact C-N 3.3Å
126	D	91.1	Very high	96.4	Very high	123 Å²	123	22.8 Å²	22.8	66%	0.658	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	5.9	176.7	66.6	-28.2	0	0	0	113.4	G124 L145	G124-D126 PolarHBondContact O-N 3.36Å; D126-L145 VanDerWaalsContact O-CB 3.26Å; D126-L145 WeakPolarHBondContact O-CB 3.16Å; D126-L145 PolarHBondContact O-N 2.72Å
127	R	93.9	Very high	96.3	Very high	96 Å²	96	25.7 Å²	25.7	36%	0.362	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	150.7	-176.8	-54.8	-168.9	177.8	-159.2	-4.1	112.7	G124 G125 N142 R143	G124-R127 PolarHBondContact N-O 2.91Å; G124-R127 PolarHBondContact O-N 2.95Å; G125-R127 VanDerWaalsContact C-N 3.3Å; R127-N142 VanDerWaalsContact CB-OD1 3.32Å; R127-N142 WeakPolarHBondContact CB-OD1 3.34Å; R127-N142 WeakPolarHBondContact CD-ND2 3.39Å; R127-N142 PolarHBondContact NH1-ND2 2.84Å; R127-R143 CarbonylContact C-O 3.59Å; R127-R143 WeakPolarHBondContact CA-O 3.31Å
128	L	96.2	Very high	96.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	109.9	172.8	-178.4	72.4	0	0	0	109.6	T62 V71 L121 V123 T130 N142 R143 L145 L148	T62-L128 HydrophobicContact CG2-CD1 4.05Å; V71-L128 HydrophobicContact CG1-CD2 3.96Å; L121-L128 HydrophobicContact CD1-CD1 3.84Å; L121-L128 HydrophobicContact CD1-CD2 3.86Å; L121-L128 HydrophobicContact CD1-CG 4.17Å; L121-L128 HydrophobicContact CG-CD1 4.1Å; V123-L128 HydrophobicContact CG2-CD1 4.06Å; L128-T130 HydrophobicContact CD2-CG2 4.5Å; L128-N142 WeakPolarHBondContact O-CA 3.34Å; L128-R143 HydrophobicContact CB-CB 4.44Å; L128-R143 PolarHBondContact N-O 3.45Å; L128-R143 PolarHBondContact O-N 2.85Å; L128-L145 HydrophobicContact CB-CD1 4.01Å; L128-L145 HydrophobicContact CD1-CD1 4.24Å; L128-L148 HydrophobicContact CD2-CD2 3.62Å
129	F	97.4	Very high	96.3	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.044	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	113.6	167.9	-175.3	-99	0	0	0	109.5	V120 L122 C131 C140 I155 L173 L179 L198	V120-F129 HydrophobicContact CG1-CD1 4.2Å; V120-F129 HydrophobicContact CG1-CE1 4.3Å; L122-F129 HydrophobicContact CD1-CD1 4.45Å; L122-F129 PolarHBondContact N-O 2.85Å; L122-F129 PolarHBondContact O-N 2.86Å; F129-C131 WeakPolarHBondContact CE1-SG 3.49Å; F129-C140 HydrophobicContact CE1-CB 4.44Å; F129-C140 HydrophobicContact CE2-CB 3.89Å; F129-C140 HydrophobicContact CZ-CB 3.63Å; F129-I155 HydrophobicContact CE2-CD1 3.97Å; F129-I155 HydrophobicContact CZ-CD1 4.24Å; F129-L173 HydrophobicContact CB-CD2 4.45Å; F129-L179 HydrophobicContact CD1-CD1 4.08Å; F129-L179 HydrophobicContact CE1-CD1 3.81Å; F129-L179 HydrophobicContact CE1-CD2 3.59Å; F129-L179 HydrophobicContact CE1-CG 4.34Å; F129-L179 HydrophobicContact CZ-CD2 3.83Å; F129-L198 HydrophobicContact CD2-CD1 4.23Å; F129-L198 HydrophobicContact CE1-CD1 4.4Å; F129-L198 HydrophobicContact CE2-CD1 3.53Å; F129-L198 HydrophobicContact CZ-CD1 3.63Å
130	T	98.1	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.6	-177.8	-175.7	0	0	0	0	111.9	L78 W94 V120 L128 C140 T141	L78-T130 HydrophobicContact CD1-CG2 4.12Å; W94-T130 HydrophobicContact CE3-CG2 4.45Å; W94-T130 HydrophobicContact CH2-CG2 4.1Å; W94-T130 HydrophobicContact CZ3-CG2 3.62Å; V120-T130 CarbonylContact O-C 3.48Å; V120-T130 VanDerWaalsContact O-CA 3.22Å; V120-T130 WeakPolarHBondContact O-CA 3.37Å; V120-T130 PolarHBondContact O-OG1 3.31Å; L128-T130 HydrophobicContact CD2-CG2 4.5Å; T130-C140 CarbonylContact O-C 3.47Å; T130-C140 VanDerWaalsContact O-CA 3.22Å; T130-C140 WeakPolarHBondContact O-CA 3.48Å; T130-T141 WeakPolarHBondContact CG2-OG1 3.24Å; T130-T141 PolarHBondContact N-O 3.18Å; T130-T141 PolarHBondContact O-N 2.92Å
131	C	98.4	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.7	176.1	-47.2	0	0	0	0	111.2	R119 V120 F129 V139 C140 C161	R119-C131 PolarHBondContact N-O 3.3Å; V120-C131 HydrophobicContact CB-CB 3.82Å; V120-C131 HydrophobicContact CG2-CB 4.06Å; V120-C131 PolarHBondContact N-O 2.81Å; V120-C131 PolarHBondContact O-N 2.88Å; F129-C131 WeakPolarHBondContact CE1-SG 3.49Å; C131-V139 VanDerWaalsContact CA-O 3.27Å; C131-V139 WeakPolarHBondContact CA-O 3.29Å; C131-C140 HydrophobicContact CB-CB 3.96Å; C131-C140 WeakPolarHBondContact CB-SG 3.2Å; C131-C140 WeakPolarHBondContact SG-CB 3.44Å; C131-C140 CovalentContact SG-SG 2.03Å; C131-C140 PolarHBondContact SG-SG 3.35Å; C131-C161 HydrophobicContact CB-CB 3.51Å
132	G	98.3	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	160.4	172.2	0	0	0	0	0	112.9	N116 Y117 N134 P138 V139 C161	N116-G132 VanDerWaalsContact OD1-C 3.23Å; N116-G132 WeakPolarHBondContact OD1-CA 3.3Å; Y117-G132 CarbonylContact O-C 3.6Å; Y117-G132 WeakPolarHBondContact O-CA 3.41Å; G132-N134 PolarHBondContact O-N 2.84Å; G132-P138 VanDerWaalsContact O-CA 3.27Å; G132-P138 WeakPolarHBondContact O-CA 3.41Å; G132-V139 PolarHBondContact N-O 2.78Å; G132-V139 PolarHBondContact O-N 2.86Å; G132-V139 VanDerWaalsContact O-N 3.12Å; G132-C161 PolarHBondContact O-SG 3.21Å
133	T	98.1	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.15	C	C	.	.			trans	-63.9	-25.6	-178.7	59.6	0	0	0	0	112.4	Q115 N116 Y117 R119 A135 F136 T137 P162 P165	Q115-T133 PolarHBondContact O-OG1 2.88Å; N116-T133 PolarHBondContact OD1-N 3.43Å; Y117-T133 PolarHBondContact N-OG1 2.85Å; Y117-T133 PolarHBondContact O-N 3.26Å; R119-T133 HydrophobicContact CG-CG2 3.96Å; T133-A135 PolarHBondContact O-N 2.97Å; T133-F136 PolarHBondContact O-N 2.71Å; T133-F136 VanDerWaalsContact O-N 3.08Å; T133-T137 CarbonylContact O-C 3.46Å; T133-T137 PolarHBondContact O-N 2.68Å; T133-P162 WeakPolarHBondContact CG2-O 3.29Å; T133-P165 HydrophobicContact CG2-CB 4.32Å
134	N	98.2	Very high	96.4	Very high	14 Å²	14	22.7 Å²	22.7	8%	0.075	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.2	59.9	179.2	-176.7	51.2	0	0	0	112.9	C96 T100 N116 G132 F136 T137 V139	C96-N134 WeakPolarHBondContact CA-OD1 3.38Å; C96-N134 WeakPolarHBondContact CB-OD1 3.38Å; C96-N134 VanDerWaalsContact SG-CA 3.52Å; C96-N134 PolarHBondContact SG-OD1 2.81Å; T100-N134 WeakPolarHBondContact CG2-O 3.47Å; N116-N134 WeakPolarHBondContact OD1-CA 3.47Å; N116-N134 PolarHBondContact OD1-N 3.16Å; G132-N134 PolarHBondContact O-N 2.84Å; N134-F136 PolarHBondContact O-N 2.68Å; N134-T137 WeakPolarHBondContact CB-O 3.28Å; N134-T137 PolarHBondContact ND2-O 2.86Å; N134-T137 VanDerWaalsContact ND2-O 3.08Å; N134-T137 PolarHBondContact O-N 3.36Å; N134-V139 HydrophobicContact CB-CB 4.44Å; N134-V139 HydrophobicContact CB-CG2 4.3Å; N134-V139 WeakPolarHBondContact ND2-CG2 3.36Å
135	A	97.9	Very high	96.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.008	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	55.8	-178.1	0	0	0	0	0	113.3	C96 T100 C104 C114 Q115 T133 T137	C96-A135 HydrophobicContact CB-CB 4.26Å; C96-A135 PolarHBondContact SG-N 2.92Å; C96-A135 VanDerWaalsContact SG-N 3.36Å; T100-A135 HydrophobicContact CG2-CB 4.19Å; C104-A135 HydrophobicContact CB-CB 3.9Å; C104-A135 WeakPolarHBondContact CB-O 3.49Å; C114-A135 HydrophobicContact CB-CB 4.08Å; Q115-A135 PolarHBondContact O-N 2.86Å; T133-A135 PolarHBondContact O-N 2.97Å; A135-T137 PolarHBondContact O-N 2.98Å
136	F	97.4	Very high	96.8	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.013	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	31.1	-178.1	-67.9	-112.2	0	0	0	113.4	K109 E113 T133 N134 Y163 F187	K109-F136 HydrophobicContact CD-CE1 4.22Å; K109-F136 HydrophobicContact CD-CE2 4.17Å; K109-F136 HydrophobicContact CD-CZ 3.87Å; K109-F136 VanDerWaalsContact CE-CZ 3.45Å; K109-F136 HydrophobicContact CG-CD2 4.32Å; K109-F136 HydrophobicContact CG-CE2 4.2Å; K109-F136 HydrophobicContact CG-CZ 4.31Å; E113-F136 HydrophobicContact CB-CE2 3.82Å; E113-F136 HydrophobicContact CB-CZ 4.45Å; E113-F136 HydrophobicContact CG-CE2 4.31Å; E113-F136 HydrophobicContact CG-CZ 4.49Å; T133-F136 PolarHBondContact O-N 2.71Å; T133-F136 VanDerWaalsContact O-N 3.08Å; N134-F136 PolarHBondContact O-N 2.68Å; F136-Y163 WeakPolarHBondContact CA-O 3.46Å; F136-Y163 HydrophobicContact CB-CD1 4.43Å; F136-Y163 WeakPolarHBondContact CG-O 3.3Å; F136-Y163 WeakPolarHBondContact O-CD1 3.5Å; F136-Y163 WeakPolarHBondContact O-CE1 3.43Å; F136-F187 HydrophobicContact CB-CD2 3.68Å; F136-F187 HydrophobicContact CB-CE2 3.38Å; F136-F187 HydrophobicContact CB-CZ 4.49Å; F136-F187 AromaticContact CD1-CD2 3.75Å; F136-F187 HydrophobicContact CD1-CD2 3.75Å; F136-F187 AromaticContact CD1-CE2 3.43Å; F136-F187 HydrophobicContact CD1-CE2 3.43Å; F136-F187 VanDerWaalsContact CD1-CE2 3.43Å; F136-F187 HydrophobicContact CD1-CG 4.48Å; F136-F187 AromaticContact CD1-CZ 3.93Å; F136-F187 HydrophobicContact CD1-CZ 3.93Å; F136-F187 HydrophobicContact CE1-CE2 4.42Å; F136-F187 HydrophobicContact CG-CD2 4.14Å; F136-F187 AromaticContact CG-CE2 3.63Å; F136-F187 HydrophobicContact CG-CE2 3.63Å; F136-F187 HydrophobicContact CG-CZ 4.36Å
137	T	97.4	Very high	97	Very high	61 Å²	61	18.5 Å²	18.5	37%	0.374	10%	0.1	S	C	.	.	S	Bend	trans	-139.1	71.1	170.9	-50	0	0	0	0	108.3	T133 N134 A135 V139	T133-T137 CarbonylContact O-C 3.46Å; T133-T137 PolarHBondContact O-N 2.68Å; N134-T137 WeakPolarHBondContact CB-O 3.28Å; N134-T137 PolarHBondContact ND2-O 2.86Å; N134-T137 VanDerWaalsContact ND2-O 3.08Å; N134-T137 PolarHBondContact O-N 3.36Å; A135-T137 PolarHBondContact O-N 2.98Å; T137-V139 WeakPolarHBondContact O-CG2 3.36Å; T137-V139 PolarHBondContact O-N 2.64Å
138	P	97.9	Very high	97.1	Very high	4 Å²	4	14 Å²	14	3%	0.026	8%	0.083	C	C	.	.			trans	-57.4	138.9	-165.1	-25.8	35.1	0	0	0	113.4	G132 G157 C161 P162 Y163	G132-P138 VanDerWaalsContact O-CA 3.27Å; G132-P138 WeakPolarHBondContact O-CA 3.41Å; P138-G157 VanDerWaalsContact O-CA 3.32Å; P138-G157 WeakPolarHBondContact O-CA 3.36Å; P138-G157 PolarHBondContact O-N 2.92Å; P138-C161 HydrophobicContact CB-CB 3.94Å; P138-P162 WeakPolarHBondContact CG-O 3.03Å; P138-Y163 VanDerWaalsContact CD-CE1 3.44Å; P138-Y163 HydrophobicContact CG-CD1 4.12Å; P138-Y163 HydrophobicContact CG-CD2 3.88Å; P138-Y163 HydrophobicContact CG-CE1 4.29Å; P138-Y163 HydrophobicContact CG-CE2 4.07Å; P138-Y163 HydrophobicContact CG-CG 3.88Å
139	V	98.3	Very high	97.1	Very high	20 Å²	20	18.2 Å²	18.2	12%	0.121	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.2	179.9	176.1	0	0	0	0	109	W94 C131 G132 N134 T137 Q154	W94-V139 HydrophobicContact CZ2-CG1 4.37Å; C131-V139 VanDerWaalsContact CA-O 3.27Å; C131-V139 WeakPolarHBondContact CA-O 3.29Å; G132-V139 PolarHBondContact N-O 2.78Å; G132-V139 PolarHBondContact O-N 2.86Å; G132-V139 VanDerWaalsContact O-N 3.12Å; N134-V139 HydrophobicContact CB-CB 4.44Å; N134-V139 HydrophobicContact CB-CG2 4.3Å; N134-V139 WeakPolarHBondContact ND2-CG2 3.36Å; T137-V139 WeakPolarHBondContact O-CG2 3.36Å; T137-V139 PolarHBondContact O-N 2.64Å; V139-Q154 HydrophobicContact CG1-CG 3.59Å
140	C	98.3	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146	171.1	-56.9	0	0	0	0	110.4	F129 T130 C131 Q154 I155 G157	F129-C140 HydrophobicContact CE1-CB 4.44Å; F129-C140 HydrophobicContact CE2-CB 3.89Å; F129-C140 HydrophobicContact CZ-CB 3.63Å; T130-C140 CarbonylContact O-C 3.47Å; T130-C140 VanDerWaalsContact O-CA 3.22Å; T130-C140 WeakPolarHBondContact O-CA 3.48Å; C131-C140 HydrophobicContact CB-CB 3.96Å; C131-C140 WeakPolarHBondContact CB-SG 3.2Å; C131-C140 WeakPolarHBondContact SG-CB 3.44Å; C131-C140 CovalentContact SG-SG 2.03Å; C131-C140 PolarHBondContact SG-SG 3.35Å; C140-Q154 WeakPolarHBondContact O-CA 3.49Å; C140-I155 HydrophobicContact CB-CD1 4.36Å; C140-I155 HydrophobicContact CB-CG1 3.77Å; C140-I155 PolarHBondContact N-O 3.42Å; C140-I155 PolarHBondContact O-N 3.38Å; C140-G157 VanDerWaalsContact SG-CA 3.53Å
141	T	97.9	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145	173.4	56.4	0	0	0	0	109.8	W94 T130 R143 I151 D153 Q154	W94-T141 HydrophobicContact CH2-CG2 4.24Å; W94-T141 HydrophobicContact CZ2-CG2 3.71Å; T130-T141 WeakPolarHBondContact CG2-OG1 3.24Å; T130-T141 PolarHBondContact N-O 3.18Å; T130-T141 PolarHBondContact O-N 2.92Å; T141-R143 PolarHBondContact OG1-NE 3.27Å; T141-I151 HydrophobicContact CG2-CD1 4.39Å; T141-I151 HydrophobicContact CG2-CG2 4.11Å; T141-D153 VanDerWaalsContact CA-O 3.27Å; T141-D153 WeakPolarHBondContact CA-O 3.27Å; T141-Q154 HydrophobicContact CG2-CB 4.25Å; T141-Q154 HydrophobicContact CG2-CG 4.09Å
142	N	96.9	Very high	97	Very high	25 Å²	25	29.5 Å²	29.5	13%	0.134	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.2	167.5	-158.5	6.1	0	0	0	108.6	R127 L128 H152 D153	R127-N142 VanDerWaalsContact CB-OD1 3.32Å; R127-N142 WeakPolarHBondContact CB-OD1 3.34Å; R127-N142 WeakPolarHBondContact CD-ND2 3.39Å; R127-N142 PolarHBondContact NH1-ND2 2.84Å; L128-N142 WeakPolarHBondContact O-CA 3.34Å; N142-H152 PolarHBondContact O-N 2.77Å; N142-D153 WeakPolarHBondContact CB-OD1 3.18Å; N142-D153 PolarHBondContact N-O 2.84Å; N142-D153 PolarHBondContact ND2-OD1 2.85Å
143	R	97.2	Very high	96.9	Very high	6 Å²	6	32.1 Å²	32.1	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.6	-172.2	-66.2	171.5	-179.4	-126.3	5.8	111.1	W94 R127 L128 T141 L145 L148 E150 I151	W94-R143 VanDerWaalsContact CG-NH2 3.26Å; R127-R143 CarbonylContact C-O 3.59Å; R127-R143 WeakPolarHBondContact CA-O 3.31Å; L128-R143 HydrophobicContact CB-CB 4.44Å; L128-R143 PolarHBondContact N-O 3.45Å; L128-R143 PolarHBondContact O-N 2.85Å; T141-R143 PolarHBondContact OG1-NE 3.27Å; R143-L145 PolarHBondContact O-N 2.89Å; R143-L148 VanDerWaalsContact CD-O 3.3Å; R143-L148 WeakPolarHBondContact CD-O 3.44Å; R143-L148 PolarHBondContact NH1-O 2.88Å; R143-E150 CarbonylContact C-O 3.58Å; R143-E150 WeakPolarHBondContact CA-O 3.47Å; R143-I151 HydrophobicContact CG-CG1 4Å
144	S	96.1	Very high	96.8	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.2	167.2	-66.9	0	0	0	0	109.7	S146 N147 E150 H152	S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 3.26Å; S144-N147 CarbonylContact O-C 3.6Å; S144-N147 PolarHBondContact O-N 2.85Å; S144-N147 VanDerWaalsContact O-O 3.08Å; S144-E150 WeakPolarHBondContact CB-OE2 3.42Å; S144-E150 PolarHBondContact N-O 3.48Å; S144-E150 PolarHBondContact OG-OE2 3.43Å; S144-H152 PolarHBondContact OG-NE2 3.36Å
145	L	94	Very high	96.8	Very high	7 Å²	7	40 Å²	40	4%	0.037	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-33.8	178.8	-166.8	63.4	0	0	0	111.6	D64 V71 R80 V123 D126 L128 R143 N147	D64-L145 HydrophobicContact CB-CD2 3.81Å; D64-L145 HydrophobicContact CB-CG 4.18Å; D64-L145 VanDerWaalsContact OD2-CD2 3.24Å; D64-L145 WeakPolarHBondContact OD2-CD2 3.39Å; D64-L145 WeakPolarHBondContact OD2-CG 2.88Å; V71-L145 HydrophobicContact CG2-CD1 4.07Å; R80-L145 WeakPolarHBondContact CD-O 3.49Å; R80-L145 PolarHBondContact NE-O 2.83Å; V123-L145 HydrophobicContact CG1-CD2 3.76Å; V123-L145 HydrophobicContact CG2-CD1 3.97Å; V123-L145 HydrophobicContact CG2-CD2 4.46Å; D126-L145 VanDerWaalsContact O-CB 3.26Å; D126-L145 WeakPolarHBondContact O-CB 3.16Å; D126-L145 PolarHBondContact O-N 2.72Å; L128-L145 HydrophobicContact CB-CD1 4.01Å; L128-L145 HydrophobicContact CD1-CD1 4.24Å; R143-L145 PolarHBondContact O-N 2.89Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 3.41Å
146	S	93.3	Very high	96.7	Very high	66 Å²	66	43.1 Å²	43.1	46%	0.462	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.3	176.5	60.7	0	0	0	0	114.8	R80 S144	R80-S146 PolarHBondContact NH1-O 3.37Å; S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 3.26Å
147	N	95.6	Very high	96.7	Very high	64 Å²	64	43 Å²	43	34%	0.342	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	99.2	176.2	-178.7	3	0	0	0	110.3	Q90 S144 L145 T149 E150	Q90-N147 PolarHBondContact NE2-OD1 2.93Å; S144-N147 CarbonylContact O-C 3.6Å; S144-N147 PolarHBondContact O-N 2.85Å; S144-N147 VanDerWaalsContact O-O 3.08Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 3.41Å; N147-T149 PolarHBondContact O-N 2.83Å; N147-T149 WeakPolarHBondContact OD1-CB 3.4Å; N147-T149 PolarHBondContact OD1-N 3.01Å; N147-E150 PolarHBondContact O-N 3.16Å
148	L	96.6	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-10.4	-174.8	-57.1	-168.5	0	0	0	114.2	V71 L78 R80 V92 L128 R143	V71-L148 HydrophobicContact CG1-CD1 4.13Å; L78-L148 HydrophobicContact CB-CD1 3.68Å; L78-L148 HydrophobicContact CD1-CD1 4.47Å; R80-L148 HydrophobicContact CG-CD1 3.71Å; R80-L148 HydrophobicContact CG-CD2 4.35Å; R80-L148 HydrophobicContact CG-CG 3.87Å; V92-L148 HydrophobicContact CB-CB 4.37Å; V92-L148 HydrophobicContact CG2-CB 3.72Å; L128-L148 HydrophobicContact CD2-CD2 3.62Å; R143-L148 VanDerWaalsContact CD-O 3.3Å; R143-L148 WeakPolarHBondContact CD-O 3.44Å; R143-L148 PolarHBondContact NH1-O 2.88Å
149	T	97.1	Very high	96.4	Very high	89 Å²	89	44.8 Å²	44.8	55%	0.546	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-23.6	175.1	-50.6	0	0	0	0	111.8	Q90 N147 I151	Q90-T149 PolarHBondContact NE2-OG1 3.14Å; N147-T149 PolarHBondContact O-N 2.83Å; N147-T149 WeakPolarHBondContact OD1-CB 3.4Å; N147-T149 PolarHBondContact OD1-N 3.01Å; T149-I151 PolarHBondContact O-N 2.83Å
150	E	97.4	Very high	96.3	Very high	90 Å²	90	45.6 Å²	45.6	42%	0.421	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	106.3	179.2	-171.8	-175.5	178.4	0	0	110	R143 S144 N147 H152	R143-E150 CarbonylContact C-O 3.58Å; R143-E150 WeakPolarHBondContact CA-O 3.47Å; S144-E150 WeakPolarHBondContact CB-OE2 3.42Å; S144-E150 PolarHBondContact N-O 3.48Å; S144-E150 PolarHBondContact OG-OE2 3.43Å; N147-E150 PolarHBondContact O-N 3.16Å; E150-H152 IonicContact OE1-CE1 3.4Å; E150-H152 PolarHBondContact OE1-CE1 3.26Å; E150-H152 IonicContact OE1-NE2 2.77Å
151	I	97.7	Very high	96.3	Very high	78 Å²	78	45.6 Å²	45.6	40%	0.4	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121	178.1	-61	168.3	0	0	0	108.5	T141 R143 T149 D153	T141-I151 HydrophobicContact CG2-CD1 4.39Å; T141-I151 HydrophobicContact CG2-CG2 4.11Å; R143-I151 HydrophobicContact CG-CG1 4Å; T149-I151 PolarHBondContact O-N 2.83Å; I151-D153 WeakPolarHBondContact CG2-O 3.48Å
152	H	96.4	Very high	96.2	Very high	79 Å²	79	45.6 Å²	45.6	37%	0.366	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-41.8	177.4	-68.3	-74.4	0	0	0	112.1	N142 S144 E150	N142-H152 PolarHBondContact O-N 2.77Å; S144-H152 PolarHBondContact OG-NE2 3.36Å; E150-H152 IonicContact OE1-CE1 3.4Å; E150-H152 PolarHBondContact OE1-CE1 3.26Å; E150-H152 IonicContact OE1-NE2 2.77Å
153	D	95.1	Very high	96.2	Very high	56 Å²	56	45.9 Å²	45.9	30%	0.299	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153	179.6	60.8	-87.2	0	0	0	111.6	T141 N142 I151	T141-D153 VanDerWaalsContact CA-O 3.27Å; T141-D153 WeakPolarHBondContact CA-O 3.27Å; N142-D153 WeakPolarHBondContact CB-OD1 3.18Å; N142-D153 PolarHBondContact N-O 2.84Å; N142-D153 PolarHBondContact ND2-OD1 2.85Å; I151-D153 WeakPolarHBondContact CG2-O 3.48Å
154	Q	96.8	Very high	96.2	Very high	130 Å²	130	45.9 Å²	45.9	61%	0.607	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.7	175.1	-177.9	178.1	-53.2	0	0	109	V139 C140 T141	V139-Q154 HydrophobicContact CG1-CG 3.59Å; C140-Q154 WeakPolarHBondContact O-CA 3.49Å; T141-Q154 HydrophobicContact CG2-CB 4.25Å; T141-Q154 HydrophobicContact CG2-CG 4.09Å
155	I	96.9	Very high	96.2	Very high	49 Å²	49	45.8 Å²	45.8	25%	0.251	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	164.8	-178.3	65.5	171.7	0	0	0	111	F129 C140 G157 L198	F129-I155 HydrophobicContact CE2-CD1 3.97Å; F129-I155 HydrophobicContact CZ-CD1 4.24Å; C140-I155 HydrophobicContact CB-CD1 4.36Å; C140-I155 HydrophobicContact CB-CG1 3.77Å; C140-I155 PolarHBondContact N-O 3.42Å; C140-I155 PolarHBondContact O-N 3.38Å; I155-G157 PolarHBondContact O-N 2.96Å; I155-L198 HydrophobicContact CD1-CD1 4.02Å; I155-L198 HydrophobicContact CD1-CD2 3.54Å; I155-L198 HydrophobicContact CD1-CG 4.39Å
156	S	96.9	Very high	96.1	Very high	66 Å²	66	51 Å²	51	46%	0.462	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132	173.1	-176.1	0	0	0	0	111.3	M158 R160	S156-M158 VanDerWaalsContact C-N 3.27Å; S156-M158 WeakPolarHBondContact OG-CB 3.27Å; S156-M158 PolarHBondContact OG-N 2.81Å; S156-R160 PolarHBondContact O-NH1 3.11Å
157	G	96.5	Very high	96.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.			trans	-82.7	0.2	172.8	0	0	0	0	0	114	P138 C140 I155 A159 R160 C161	P138-G157 VanDerWaalsContact O-CA 3.32Å; P138-G157 WeakPolarHBondContact O-CA 3.36Å; P138-G157 PolarHBondContact O-N 2.92Å; C140-G157 VanDerWaalsContact SG-CA 3.53Å; I155-G157 PolarHBondContact O-N 2.96Å; G157-A159 PolarHBondContact O-N 2.76Å; G157-R160 PolarHBondContact O-N 2.78Å; G157-C161 PolarHBondContact O-N 3.03Å
158	M	95.8	Very high	96.2	Very high	97 Å²	97	51 Å²	51	48%	0.478	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	134	173.1	-171.7	-171.7	-53.2	0	0	109.8	S156 R160	S156-M158 VanDerWaalsContact C-N 3.27Å; S156-M158 WeakPolarHBondContact OG-CB 3.27Å; S156-M158 PolarHBondContact OG-N 2.81Å; M158-R160 PolarHBondContact O-N 3.35Å; M158-R160 VanDerWaalsContact O-N 3.08Å; M158-R160 PolarHBondContact O-NH1 2.71Å
159	A	93.6	Very high	96.3	Very high	7 Å²	7	52.4 Å²	52.4	6%	0.058	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	-0.5	-174.6	0	0	0	0	0	116.9	G157 A181 M185 Y195	G157-A159 PolarHBondContact O-N 2.76Å; A159-A181 WeakPolarHBondContact O-CB 3.15Å; A159-M185 HydrophobicContact CB-CE 3.24Å; A159-M185 HydrophobicContact CB-CG 3.76Å; A159-M185 HydrophobicContact CB-SD 3.9Å; A159-Y195 HydrophobicContact CB-CD1 3.45Å; A159-Y195 VanDerWaalsContact CB-CD1 3.45Å; A159-Y195 HydrophobicContact CB-CE1 3.77Å; A159-Y195 HydrophobicContact CB-CG 3.93Å
160	R	96.6	Very high	96.3	Very high	37 Å²	37	49.2 Å²	49.2	14%	0.14	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-30.1	-178.7	-60	-179.8	178.5	84	3.5	112.4	V120 S156 G157 M158 L179 S197	V120-R160 WeakPolarHBondContact CG2-O 3.35Å; S156-R160 PolarHBondContact O-NH1 3.11Å; G157-R160 PolarHBondContact O-N 2.78Å; M158-R160 PolarHBondContact O-N 3.35Å; M158-R160 VanDerWaalsContact O-N 3.08Å; M158-R160 PolarHBondContact O-NH1 2.71Å; R160-L179 HydrophobicContact CB-CD2 3.91Å; R160-L179 VanDerWaalsContact CD-CD2 3.49Å; R160-L179 HydrophobicContact CG-CD2 3.55Å; R160-S197 PolarHBondContact NE-OG 3.47Å; R160-S197 VanDerWaalsContact NH2-CB 3.26Å; R160-S197 PolarHBondContact NH2-OG 3.21Å; R160-S197 VanDerWaalsContact NH2-OG 3.14Å
161	C	96.9	Very high	96.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-139.2	139.6	-176.2	-178.5	0	0	0	0	108.5	V120 C131 G132 P138 G157	V120-C161 HydrophobicContact CG2-CB 4.5Å; C131-C161 HydrophobicContact CB-CB 3.51Å; G132-C161 PolarHBondContact O-SG 3.21Å; P138-C161 HydrophobicContact CB-CB 3.94Å; G157-C161 PolarHBondContact O-N 3.03Å
162	P	97.3	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.			trans	-65	152	178.6	27.7	-35.6	0	0	0	112	R119 T133 P138 H167 S169 T183	R119-P162 HydrophobicContact CB-CG 4.1Å; R119-P162 HydrophobicContact CG-CG 3.93Å; T133-P162 WeakPolarHBondContact CG2-O 3.29Å; P138-P162 WeakPolarHBondContact CG-O 3.03Å; P162-H167 HydrophobicContact CB-CB 3.83Å; P162-S169 VanDerWaalsContact CD-OG 3.31Å; P162-S169 WeakPolarHBondContact CD-OG 3.31Å; P162-S169 WeakPolarHBondContact CG-OG 3.41Å; P162-T183 VanDerWaalsContact CA-OG1 3.31Å; P162-T183 WeakPolarHBondContact CA-OG1 3.22Å; P162-T183 WeakPolarHBondContact CB-OG1 3.44Å
163	Y	97.3	Very high	96.3	Very high	30 Å²	30	41.2 Å²	41.2	12%	0.118	22%	0.216	C	C	.	.	S	Bend	trans	-72.9	-46.9	171.3	-78.1	-105.2	0	0	0	111.9	F136 P138 M185 F187	F136-Y163 WeakPolarHBondContact CA-O 3.46Å; F136-Y163 HydrophobicContact CB-CD1 4.43Å; F136-Y163 WeakPolarHBondContact CG-O 3.3Å; F136-Y163 WeakPolarHBondContact O-CD1 3.5Å; F136-Y163 WeakPolarHBondContact O-CE1 3.43Å; P138-Y163 VanDerWaalsContact CD-CE1 3.44Å; P138-Y163 HydrophobicContact CG-CD1 4.12Å; P138-Y163 HydrophobicContact CG-CD2 3.88Å; P138-Y163 HydrophobicContact CG-CE1 4.29Å; P138-Y163 HydrophobicContact CG-CE2 4.07Å; P138-Y163 HydrophobicContact CG-CG 3.88Å; Y163-M185 VanDerWaalsContact CE2-O 3.29Å; Y163-M185 WeakPolarHBondContact CE2-O 3.37Å; Y163-F187 HydrophobicContact CD1-CB 4.19Å; Y163-F187 HydrophobicContact CD1-CD2 4.26Å
164	S	96.6	Very high	96.2	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.049	21%	0.205	C	C	.	.	S	Bend	trans	-88.6	136.8	178.5	161	0	0	0	0	110.6	Q166 H167	S164-Q166 PolarHBondContact O-N 3.44Å; S164-Q166 PolarHBondContact OG-N 2.91Å; S164-Q166 PolarHBondContact OG-OE1 2.99Å; S164-H167 PolarHBondContact O-N 3.11Å
165	P	95.3	Very high	95.8	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.065	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.2	172.8	24.6	-29.7	0	0	0	113.8	Y117 R119 T133	Y117-P165 HydrophobicContact CD1-CB 4.02Å; Y117-P165 HydrophobicContact CD2-CB 3.45Å; Y117-P165 VanDerWaalsContact CD2-CB 3.45Å; Y117-P165 HydrophobicContact CD2-CG 3.73Å; Y117-P165 HydrophobicContact CE1-CB 4.35Å; Y117-P165 HydrophobicContact CE2-CB 3.83Å; Y117-P165 HydrophobicContact CE2-CG 3.71Å; Y117-P165 HydrophobicContact CG-CB 3.54Å; Y117-P165 HydrophobicContact CG-CG 4.32Å; R119-P165 VanDerWaalsContact CZ-O 3.29Å; R119-P165 PolarHBondContact NE-O 2.98Å; R119-P165 VanDerWaalsContact NH2-CB 3.35Å; R119-P165 PolarHBondContact NH2-O 3.16Å; T133-P165 HydrophobicContact CG2-CB 4.32Å
166	Q	93.6	Very high	95.3	Very high	115 Å²	115	39.3 Å²	39.3	54%	0.537	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.4	177.9	-62.9	79.3	18.5	0	0	113.1	S164 N168	S164-Q166 PolarHBondContact O-N 3.44Å; S164-Q166 PolarHBondContact OG-N 2.91Å; S164-Q166 PolarHBondContact OG-OE1 2.99Å; Q166-N168 PolarHBondContact O-N 3.36Å
167	H	95	Very high	95	Very high	60 Å²	60	37.7 Å²	37.7	28%	0.278	24%	0.236	S	C	.	.	S	Bend	trans	-79.1	123.9	179.4	-71.1	176.3	0	0	0	111	P162 S164 S169 G189	P162-H167 HydrophobicContact CB-CB 3.83Å; S164-H167 PolarHBondContact O-N 3.11Å; H167-S169 PolarHBondContact O-N 3.36Å; H167-G189 WeakPolarHBondContact CE1-CA 3.07Å
168	N	95.8	Very high	94.9	Very high	72 Å²	72	38.7 Å²	38.7	39%	0.385	24%	0.241	S	C	.	.			trans	-69.2	126.7	172	-66.4	-39.7	0	0	0	109.6	Q166 N218 F219	Q166-N168 PolarHBondContact O-N 3.36Å; N168-N218 HydrophobicContact CB-CB 4.21Å; N168-N218 PolarHBondContact ND2-OD1 2.88Å; N168-F219 WeakPolarHBondContact CB-O 3.15Å
169	S	97.5	Very high	95	Very high	29 Å²	29	34.1 Å²	34.1	20%	0.203	22%	0.218	C	C	.	.			trans	-143	160.6	-177.9	61.1	0	0	0	0	109.5	P162 H167 A182 T183	P162-S169 VanDerWaalsContact CD-OG 3.31Å; P162-S169 WeakPolarHBondContact CD-OG 3.31Å; P162-S169 WeakPolarHBondContact CG-OG 3.41Å; H167-S169 PolarHBondContact O-N 3.36Å; S169-A182 VanDerWaalsContact CA-O 3.28Å; S169-A182 WeakPolarHBondContact CA-O 3.39Å; S169-A182 WeakPolarHBondContact CB-O 3.44Å; S169-T183 WeakPolarHBondContact CB-OG1 3.48Å
170	T	98.3	Very high	95.2	Very high	22 Å²	22	33.8 Å²	33.8	14%	0.135	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.9	172.8	-171.5	0	0	0	0	109.5	A181 A182 F219 S221 S222	T170-A181 WeakPolarHBondContact O-CA 3.33Å; T170-A182 HydrophobicContact CG2-CB 3.93Å; T170-A182 PolarHBondContact N-O 2.91Å; T170-A182 PolarHBondContact O-N 3.01Å; T170-F219 HydrophobicContact CG2-CB 4.06Å; T170-S221 VanDerWaalsContact OG1-CA 3.28Å; T170-S221 WeakPolarHBondContact OG1-CA 3.27Å; T170-S222 PolarHBondContact OG1-N 2.75Å; T170-S222 PolarHBondContact OG1-OG 2.04Å
171	A	97.9	Very high	95.3	Very high	18 Å²	18	32 Å²	32	15%	0.149	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.2	176.3	0	0	0	0	0	109.8	V120 L122 L179 Y180 A181	V120-A171 HydrophobicContact CG1-CB 4.01Å; V120-A171 HydrophobicContact CG2-CB 4Å; L122-A171 HydrophobicContact CD1-CB 4.11Å; A171-L179 HydrophobicContact CB-CD1 4.41Å; A171-Y180 CarbonylContact C-O 3.53Å; A171-Y180 VanDerWaalsContact CA-O 3.22Å; A171-Y180 WeakPolarHBondContact CA-O 3.11Å; A171-A181 HydrophobicContact CB-CB 4.18Å
172	L	96.4	Very high	95.4	Very high	17 Å²	17	32 Å²	32	9%	0.089	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.5	169.8	67	83.5	0	0	0	109.9	T174 Y180 S222 D224 T229	L172-T174 HydrophobicContact CD1-CG2 3.87Å; L172-Y180 HydrophobicContact CD1-CD2 3.94Å; L172-Y180 HydrophobicContact CD1-CG 4.33Å; L172-Y180 PolarHBondContact N-O 3.33Å; L172-Y180 PolarHBondContact O-N 3.47Å; L172-S222 WeakPolarHBondContact CD2-OG 3.33Å; L172-D224 HydrophobicContact CD1-CB 4.28Å; L172-D224 HydrophobicContact CD2-CB 4.45Å; L172-T229 HydrophobicContact CD1-CG2 4.36Å; L172-T229 HydrophobicContact CD2-CG2 3.76Å; L172-T229 HydrophobicContact CG-CG2 4.43Å
173	L	95.7	Very high	95.4	Very high	44 Å²	44	32.1 Å²	32.1	23%	0.23	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.9	174.3	-173.6	68.6	0	0	0	107.2	L122 F129 E178 L179	L122-L173 HydrophobicContact CB-CB 4.17Å; L122-L173 HydrophobicContact CD1-CB 4.03Å; F129-L173 HydrophobicContact CB-CD2 4.45Å; L173-E178 WeakPolarHBondContact CA-O 3.46Å; L173-L179 HydrophobicContact CD1-CB 4.26Å
174	T	93.4	Very high	95.3	Very high	13 Å²	13	31.1 Å²	31.1	8%	0.08	21%	0.207	C	C	.	.			trans	-76.6	161.4	177	71.5	0	0	0	0	110.5	L172 G176 G177 E178 Y180	L172-T174 HydrophobicContact CD1-CG2 3.87Å; T174-G176 PolarHBondContact O-N 3.09Å; T174-G176 VanDerWaalsContact O-N 3.13Å; T174-G176 PolarHBondContact OG1-N 3.43Å; T174-G177 PolarHBondContact O-N 3.47Å; T174-E178 HydrophobicContact CG2-CB 4.26Å; T174-E178 PolarHBondContact N-O 2.88Å; T174-E178 WeakPolarHBondContact OG1-CB 3.14Å; T174-E178 PolarHBondContact OG1-N 2.95Å; T174-E178 PolarHBondContact OG1-O 3.16Å; T174-Y180 HydrophobicContact CG2-CD2 3.79Å; T174-Y180 HydrophobicContact CG2-CE2 3.58Å
175	A	88.3	Confident	95.2	Very high	115 Å²	115	31.9 Å²	31.9	95%	0.95	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.3	172.6	0	0	0	0	0	113	G177	A175-G177 VanDerWaalsContact C-N 3.27Å; A175-G177 PolarHBondContact O-N 3.03Å
176	G	85.9	Confident	95.1	Very high	67 Å²	67	33 Å²	33	69%	0.691	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	0.4	174.6	0	0	0	0	0	114.7	T174	T174-G176 PolarHBondContact O-N 3.09Å; T174-G176 VanDerWaalsContact O-N 3.13Å; T174-G176 PolarHBondContact OG1-N 3.43Å
177	G	90.7	Very high	95.1	Very high	31 Å²	31	30.2 Å²	30.2	32%	0.32	20%	0.202	S	C	.	.	S	Bend	trans	83.2	7.8	-179.7	0	0	0	0	0	114.8	T174 A175	T174-G177 PolarHBondContact O-N 3.47Å; A175-G177 VanDerWaalsContact C-N 3.27Å; A175-G177 PolarHBondContact O-N 3.03Å
178	E	94.9	Very high	95	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.103	21%	0.212	C	C	.	.			trans	-80.5	130	174.8	-68.6	174.8	141.4	0	0	110.8	L173 T174 Y180 L201	L173-E178 WeakPolarHBondContact CA-O 3.46Å; T174-E178 HydrophobicContact CG2-CB 4.26Å; T174-E178 PolarHBondContact N-O 2.88Å; T174-E178 WeakPolarHBondContact OG1-CB 3.14Å; T174-E178 PolarHBondContact OG1-N 2.95Å; T174-E178 PolarHBondContact OG1-O 3.16Å; E178-Y180 HydrophobicContact CB-CD2 4.39Å; E178-Y180 HydrophobicContact CB-CE2 3.85Å; E178-Y180 PolarHBondContact OE2-OH 3.21Å; E178-L201 WeakPolarHBondContact OE1-CB 3.37Å; E178-L201 WeakPolarHBondContact OE1-CD1 3.26Å; E178-L201 WeakPolarHBondContact OE1-CG 3.34Å
179	L	97.5	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.6	174	-179.1	76.6	0	0	0	109.7	L122 F129 R160 A171 L173 R196 S197 L198	L122-L179 HydrophobicContact CD1-CD1 3.68Å; F129-L179 HydrophobicContact CD1-CD1 4.08Å; F129-L179 HydrophobicContact CE1-CD1 3.81Å; F129-L179 HydrophobicContact CE1-CD2 3.59Å; F129-L179 HydrophobicContact CE1-CG 4.34Å; F129-L179 HydrophobicContact CZ-CD2 3.83Å; R160-L179 HydrophobicContact CB-CD2 3.91Å; R160-L179 VanDerWaalsContact CD-CD2 3.49Å; R160-L179 HydrophobicContact CG-CD2 3.55Å; A171-L179 HydrophobicContact CB-CD1 4.41Å; L173-L179 HydrophobicContact CD1-CB 4.26Å; L179-R196 CarbonylContact O-C 3.55Å; L179-R196 VanDerWaalsContact O-CA 3.29Å; L179-R196 WeakPolarHBondContact O-CA 3.35Å; L179-S197 PolarHBondContact N-O 3.2Å; L179-S197 PolarHBondContact O-N 3.45Å; L179-L198 HydrophobicContact CB-CB 4.3Å; L179-L198 HydrophobicContact CB-CD1 3.93Å; L179-L198 HydrophobicContact CB-CG 4.15Å; L179-L198 HydrophobicContact CD2-CD1 3.95Å; L179-L198 HydrophobicContact CD2-CG 4.49Å
180	Y	98.5	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.7	167.3	-68.7	-104.1	0	0	0	108.6	A171 L172 T174 E178 Y195 R196 T229 F231 V253 K255 W268	A171-Y180 CarbonylContact C-O 3.53Å; A171-Y180 VanDerWaalsContact CA-O 3.22Å; A171-Y180 WeakPolarHBondContact CA-O 3.11Å; L172-Y180 HydrophobicContact CD1-CD2 3.94Å; L172-Y180 HydrophobicContact CD1-CG 4.33Å; L172-Y180 PolarHBondContact N-O 3.33Å; L172-Y180 PolarHBondContact O-N 3.47Å; T174-Y180 HydrophobicContact CG2-CD2 3.79Å; T174-Y180 HydrophobicContact CG2-CE2 3.58Å; E178-Y180 HydrophobicContact CB-CD2 4.39Å; E178-Y180 HydrophobicContact CB-CE2 3.85Å; E178-Y180 PolarHBondContact OE2-OH 3.21Å; Y180-Y195 CarbonylContact C-O 3.58Å; Y180-Y195 WeakPolarHBondContact CA-O 3.29Å; Y180-R196 HydrophobicContact CD1-CB 4.07Å; Y180-R196 HydrophobicContact CD1-CG 4.3Å; Y180-R196 HydrophobicContact CD2-CG 4.42Å; Y180-R196 HydrophobicContact CE1-CB 4.01Å; Y180-R196 HydrophobicContact CE1-CG 3.98Å; Y180-R196 HydrophobicContact CE2-CG 4.07Å; Y180-R196 WeakPolarHBondContact OH-CD 3.44Å; Y180-T229 HydrophobicContact CD1-CG2 3.91Å; Y180-T229 HydrophobicContact CD2-CG2 4.48Å; Y180-T229 HydrophobicContact CE1-CG2 4.4Å; Y180-T229 HydrophobicContact CG-CG2 3.94Å; Y180-F231 HydrophobicContact CD1-CZ 4.03Å; Y180-F231 HydrophobicContact CG-CZ 4.44Å; Y180-V253 HydrophobicContact CD1-CG2 4.47Å; Y180-V253 HydrophobicContact CE1-CG2 4.09Å; Y180-K255 WeakPolarHBondContact OH-CA 3.48Å; Y180-K255 PolarHBondContact OH-O 3.29Å; Y180-W268 HydrophobicContact CD1-CH2 4.2Å; Y180-W268 HydrophobicContact CD1-CZ2 4.46Å; Y180-W268 AromaticContact CE1-CH2 3.66Å; Y180-W268 HydrophobicContact CE1-CH2 3.66Å; Y180-W268 HydrophobicContact CE1-CZ2 4.35Å; Y180-W268 HydrophobicContact CE1-CZ3 4.46Å
181	A	98.4	Very high	94.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.4	-180	0	0	0	0	0	110.4	A159 T170 A171 Y195	A159-A181 WeakPolarHBondContact O-CB 3.15Å; T170-A181 WeakPolarHBondContact O-CA 3.33Å; A171-A181 HydrophobicContact CB-CB 4.18Å; A181-Y195 PolarHBondContact N-O 3.19Å; A181-Y195 PolarHBondContact O-N 3.3Å
182	A	98.6	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	108.5	172.7	0	0	0	0	0	109	S169 T170 A193 I194 F219 F231	S169-A182 VanDerWaalsContact CA-O 3.28Å; S169-A182 WeakPolarHBondContact CA-O 3.39Å; S169-A182 WeakPolarHBondContact CB-O 3.44Å; T170-A182 HydrophobicContact CG2-CB 3.93Å; T170-A182 PolarHBondContact N-O 2.91Å; T170-A182 PolarHBondContact O-N 3.01Å; A182-A193 VanDerWaalsContact CA-O 3.3Å; A182-A193 WeakPolarHBondContact CA-O 3.17Å; A182-I194 HydrophobicContact CB-CG1 3.72Å; A182-F219 VanDerWaalsContact C-CD2 3.41Å; A182-F219 HydrophobicContact CB-CB 4.16Å; A182-F219 HydrophobicContact CB-CD1 3.42Å; A182-F219 VanDerWaalsContact CB-CD1 3.42Å; A182-F219 HydrophobicContact CB-CD2 4Å; A182-F219 HydrophobicContact CB-CE1 3.67Å; A182-F219 HydrophobicContact CB-CE2 4.2Å; A182-F219 HydrophobicContact CB-CG 3.59Å; A182-F219 HydrophobicContact CB-CZ 4.04Å; A182-F219 VanDerWaalsContact O-CD2 3.28Å; A182-F219 WeakPolarHBondContact O-CD2 3.49Å; A182-F231 HydrophobicContact CB-CD1 3.93Å; A182-F231 HydrophobicContact CB-CE1 4.23Å
183	T	97.9	Very high	94.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	177.4	-172.6	-167.3	0	0	0	0	110.8	P162 S169 A193	P162-T183 VanDerWaalsContact CA-OG1 3.31Å; P162-T183 WeakPolarHBondContact CA-OG1 3.22Å; P162-T183 WeakPolarHBondContact CB-OG1 3.44Å; S169-T183 WeakPolarHBondContact CB-OG1 3.48Å; T183-A193 PolarHBondContact N-O 2.85Å; T183-A193 PolarHBondContact O-N 3.28Å
184	A	95.8	Very high	94.8	Very high	9 Å²	9	33.3 Å²	33.3	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.5	167.7	0	0	0	0	0	111.1	D191	A184-D191 WeakPolarHBondContact CA-O 3.4Å
185	M	94.1	Very high	95	Very high	24 Å²	24	34.7 Å²	34.7	12%	0.118	22%	0.216	C	C	.	.			trans	-84	-11.3	-178.5	-67.1	-165.5	161.6	0	0	113.8	A159 Y163 D191 A193 Y195 R205	A159-M185 HydrophobicContact CB-CE 3.24Å; A159-M185 HydrophobicContact CB-CG 3.76Å; A159-M185 HydrophobicContact CB-SD 3.9Å; Y163-M185 VanDerWaalsContact CE2-O 3.29Å; Y163-M185 WeakPolarHBondContact CE2-O 3.37Å; M185-D191 HydrophobicContact CB-CB 4.43Å; M185-D191 PolarHBondContact N-O 2.87Å; M185-A193 HydrophobicContact CE-CB 3.47Å; M185-A193 VanDerWaalsContact CE-CB 3.47Å; M185-A193 HydrophobicContact CG-CB 3.81Å; M185-A193 HydrophobicContact SD-CB 3.72Å; M185-Y195 HydrophobicContact CE-CD1 4.19Å; M185-Y195 HydrophobicContact CE-CD2 3.52Å; M185-Y195 HydrophobicContact CE-CE2 4.24Å; M185-Y195 HydrophobicContact CE-CG 3.48Å; M185-Y195 VanDerWaalsContact CE-CG 3.48Å; M185-R205 HydrophobicContact CE-CB 4.13Å; M185-R205 PolarHBondContact SD-NH1 3.22Å
186	D	93.8	Very high	95.5	Very high	32 Å²	32	29.3 Å²	29.3	17%	0.171	17%	0.171	C	C	.	.	S	Bend	trans	-123.2	160.8	-173.2	70.8	-28.6	0	0	0	113.2	P188 G189 R190 D191	D186-P188 VanDerWaalsContact OD2-CD 3.29Å; D186-P188 WeakPolarHBondContact OD2-CD 3.38Å; D186-P188 WeakPolarHBondContact OD2-CG 3.02Å; D186-G189 PolarHBondContact O-N 2.9Å; D186-G189 VanDerWaalsContact OD1-C 3.29Å; D186-G189 VanDerWaalsContact OD1-CA 3.32Å; D186-G189 WeakPolarHBondContact OD1-CA 3.48Å; D186-G189 PolarHBondContact OD1-N 3.36Å; D186-R190 PolarHBondContact OD1-N 3.17Å; D186-R190 PolarHBondContact OD2-N 3.16Å; D186-D191 HydrophobicContact CB-CB 4.18Å; D186-D191 PolarHBondContact OD1-N 3.41Å; D186-D191 PolarHBondContact OD2-N 3.33Å
187	F	93.4	Very high	96	Very high	57 Å²	57	26.4 Å²	26.4	25%	0.25	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-46	-179.4	178.8	-88.7	0	0	0	114.4	K107 K109 F136 Y163 G189	K107-F187 HydrophobicContact CB-CE1 4.48Å; K107-F187 HydrophobicContact CB-CE2 4.35Å; K107-F187 HydrophobicContact CB-CZ 3.78Å; K107-F187 HydrophobicContact CD-CD2 4.1Å; K107-F187 HydrophobicContact CD-CE1 4.46Å; K107-F187 HydrophobicContact CD-CE2 3.49Å; K107-F187 VanDerWaalsContact CD-CE2 3.49Å; K107-F187 HydrophobicContact CD-CZ 3.71Å; K107-F187 HydrophobicContact CG-CZ 4.34Å; K109-F187 HydrophobicContact CG-CZ 4.07Å; F136-F187 HydrophobicContact CB-CD2 3.68Å; F136-F187 HydrophobicContact CB-CE2 3.38Å; F136-F187 HydrophobicContact CB-CZ 4.49Å; F136-F187 AromaticContact CD1-CD2 3.75Å; F136-F187 HydrophobicContact CD1-CD2 3.75Å; F136-F187 AromaticContact CD1-CE2 3.43Å; F136-F187 HydrophobicContact CD1-CE2 3.43Å; F136-F187 VanDerWaalsContact CD1-CE2 3.43Å; F136-F187 HydrophobicContact CD1-CG 4.48Å; F136-F187 AromaticContact CD1-CZ 3.93Å; F136-F187 HydrophobicContact CD1-CZ 3.93Å; F136-F187 HydrophobicContact CE1-CE2 4.42Å; F136-F187 HydrophobicContact CG-CD2 4.14Å; F136-F187 AromaticContact CG-CE2 3.63Å; F136-F187 HydrophobicContact CG-CE2 3.63Å; F136-F187 HydrophobicContact CG-CZ 4.36Å; Y163-F187 HydrophobicContact CD1-CB 4.19Å; Y163-F187 HydrophobicContact CD1-CD2 4.26Å; F187-G189 VanDerWaalsContact C-N 3.32Å
188	P	92.6	Very high	96.1	Very high	75 Å²	75	28.6 Å²	28.6	49%	0.487	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.8	-179	33.8	-36.4	0	0	0	114.2	D186 R190	D186-P188 VanDerWaalsContact OD2-CD 3.29Å; D186-P188 WeakPolarHBondContact OD2-CD 3.38Å; D186-P188 WeakPolarHBondContact OD2-CG 3.02Å; P188-R190 HydrophobicContact CB-CG 4.25Å; P188-R190 HydrophobicContact CG-CB 4.44Å; P188-R190 HydrophobicContact CG-CG 4.15Å
189	G	92.7	Very high	95.8	Very high	25 Å²	25	29 Å²	29	26%	0.258	15%	0.154	S	C	.	.	S	Bend	trans	81	20	-179.6	0	0	0	0	0	115.6	H167 D186 F187	H167-G189 WeakPolarHBondContact CE1-CA 3.07Å; D186-G189 PolarHBondContact O-N 2.9Å; D186-G189 VanDerWaalsContact OD1-C 3.29Å; D186-G189 VanDerWaalsContact OD1-CA 3.32Å; D186-G189 WeakPolarHBondContact OD1-CA 3.48Å; D186-G189 PolarHBondContact OD1-N 3.36Å; F187-G189 VanDerWaalsContact C-N 3.32Å
190	R	94.3	Very high	95.4	Very high	194 Å²	194	37.2 Å²	37.2	73%	0.732	20%	0.196	S	C	*	.			trans	-95.2	-11.3	-174.3	-64.8	-177.9	177.8	-178.8	-1	113.5	D186 P188 P192	D186-R190 PolarHBondContact OD1-N 3.17Å; D186-R190 PolarHBondContact OD2-N 3.16Å; P188-R190 HydrophobicContact CB-CG 4.25Å; P188-R190 HydrophobicContact CG-CB 4.44Å; P188-R190 HydrophobicContact CG-CG 4.15Å; R190-P192 WeakPolarHBondContact O-CD 3.46Å
191	D	96.4	Very high	95.1	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.043	21%	0.21	C	C	.	.			trans	-110.2	75.9	175.2	-172.5	13.4	0	0	0	111.1	A184 M185 D186 R205 Q208 Y209	A184-D191 WeakPolarHBondContact CA-O 3.4Å; M185-D191 HydrophobicContact CB-CB 4.43Å; M185-D191 PolarHBondContact N-O 2.87Å; D186-D191 HydrophobicContact CB-CB 4.18Å; D186-D191 PolarHBondContact OD1-N 3.41Å; D186-D191 PolarHBondContact OD2-N 3.33Å; D191-R205 IonicContact OD1-CZ 3.53Å; D191-R205 IonicContact OD1-NH1 2.79Å; D191-R205 PolarHBondContact OD1-NH1 3.16Å; D191-R205 IonicContact OD1-NH2 3.16Å; D191-R205 PolarHBondContact OD1-NH2 3.27Å; D191-R205 IonicContact OD2-CZ 3.71Å; D191-R205 IonicContact OD2-NH1 3.66Å; D191-R205 PolarHBondContact OD2-NH1 2.85Å; D191-R205 IonicContact OD2-NH2 3.84Å; D191-Q208 WeakPolarHBondContact OD1-CG 3.15Å; D191-Q208 PolarHBondContact OD2-NE2 3.34Å; D191-Y209 HydrophobicContact CB-CE1 4.32Å
192	P	97.4	Very high	94.8	Very high	24 Å²	24	42.1 Å²	42.1	16%	0.156	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.8	173.1	31.6	-35.2	0	0	0	110.3	R190 L214 P217 F219	R190-P192 WeakPolarHBondContact O-CD 3.46Å; P192-L214 HydrophobicContact CB-CD1 4.43Å; P192-L214 HydrophobicContact CG-CB 4.21Å; P192-P217 HydrophobicContact CB-CG 3.45Å; P192-P217 VanDerWaalsContact CB-CG 3.45Å; P192-P217 HydrophobicContact CG-CG 4.02Å; P192-F219 HydrophobicContact CB-CE2 4.36Å; P192-F219 HydrophobicContact CB-CZ 4.36Å
193	A	97.9	Very high	94.7	Very high	1 Å²	1	45 Å²	45	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146.4	176.2	0	0	0	0	0	112.8	A182 T183 M185 T206	A182-A193 VanDerWaalsContact CA-O 3.3Å; A182-A193 WeakPolarHBondContact CA-O 3.17Å; T183-A193 PolarHBondContact N-O 2.85Å; T183-A193 PolarHBondContact O-N 3.28Å; M185-A193 HydrophobicContact CE-CB 3.47Å; M185-A193 VanDerWaalsContact CE-CB 3.47Å; M185-A193 HydrophobicContact CG-CB 3.81Å; M185-A193 HydrophobicContact SD-CB 3.72Å; A193-T206 VanDerWaalsContact CA-OG1 3.28Å; A193-T206 WeakPolarHBondContact CA-OG1 3.42Å
194	I	98.7	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.7	156.4	-66.4	160.4	0	0	0	106.7	A182 R205 T206 L214 F219 F231 W268 F271	A182-I194 HydrophobicContact CB-CG1 3.72Å; I194-R205 CarbonylContact O-C 3.58Å; I194-R205 WeakPolarHBondContact O-CA 3.22Å; I194-T206 HydrophobicContact CB-CG2 3.8Å; I194-T206 HydrophobicContact CD1-CG2 4.41Å; I194-T206 HydrophobicContact CG1-CG2 4.44Å; I194-T206 PolarHBondContact N-OG1 2.84Å; I194-T206 PolarHBondContact O-N 3.48Å; I194-T206 VanDerWaalsContact O-N 3.13Å; I194-L214 HydrophobicContact CD1-CD2 4.48Å; I194-F219 HydrophobicContact CD1-CE1 4.37Å; I194-F219 HydrophobicContact CG1-CE1 3.97Å; I194-F219 HydrophobicContact CG1-CZ 4.47Å; I194-F231 HydrophobicContact CD1-CB 4.12Å; I194-F231 HydrophobicContact CD1-CD1 4.42Å; I194-F231 HydrophobicContact CD1-CD2 4.13Å; I194-F231 HydrophobicContact CD1-CG 3.96Å; I194-F231 HydrophobicContact CG1-CD1 4.24Å; I194-F231 HydrophobicContact CG1-CG 4.28Å; I194-F231 HydrophobicContact CG2-CD1 4.13Å; I194-F231 HydrophobicContact CG2-CD2 3.98Å; I194-F231 HydrophobicContact CG2-CE1 3.67Å; I194-F231 HydrophobicContact CG2-CE2 3.51Å; I194-F231 HydrophobicContact CG2-CG 4.27Å; I194-F231 HydrophobicContact CG2-CZ 3.33Å; I194-W268 PolarHBondContact O-NE1 3.24Å; I194-F271 HydrophobicContact CD1-CD2 4.39Å; I194-F271 HydrophobicContact CD1-CE2 3.65Å
195	Y	98.3	Very high	94.7	Very high	43 Å²	43	46.7 Å²	46.7	17%	0.169	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.5	-167.4	-176.1	-119.8	0	0	0	112.1	A159 Y180 A181 M185 P203 L204 R205	A159-Y195 HydrophobicContact CB-CD1 3.45Å; A159-Y195 VanDerWaalsContact CB-CD1 3.45Å; A159-Y195 HydrophobicContact CB-CE1 3.77Å; A159-Y195 HydrophobicContact CB-CG 3.93Å; Y180-Y195 CarbonylContact C-O 3.58Å; Y180-Y195 WeakPolarHBondContact CA-O 3.29Å; A181-Y195 PolarHBondContact N-O 3.19Å; A181-Y195 PolarHBondContact O-N 3.3Å; M185-Y195 HydrophobicContact CE-CD1 4.19Å; M185-Y195 HydrophobicContact CE-CD2 3.52Å; M185-Y195 HydrophobicContact CE-CE2 4.24Å; M185-Y195 HydrophobicContact CE-CG 3.48Å; M185-Y195 VanDerWaalsContact CE-CG 3.48Å; Y195-P203 HydrophobicContact CE2-CB 3.9Å; Y195-P203 WeakPolarHBondContact OH-CB 3.42Å; Y195-L204 CarbonylContact C-O 3.49Å; Y195-L204 VanDerWaalsContact CA-O 3.3Å; Y195-L204 WeakPolarHBondContact CA-O 2.91Å; Y195-L204 WeakPolarHBondContact CD2-O 3.22Å; Y195-R205 HydrophobicContact CD2-CB 3.92Å
196	R	97.9	Very high	94.9	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.9	170.2	-179.2	-176.6	69	-156.7	-3.7	111.1	L179 Y180 P202 P203 L204 K255 D257 W268	L179-R196 CarbonylContact O-C 3.55Å; L179-R196 VanDerWaalsContact O-CA 3.29Å; L179-R196 WeakPolarHBondContact O-CA 3.35Å; Y180-R196 HydrophobicContact CD1-CB 4.07Å; Y180-R196 HydrophobicContact CD1-CG 4.3Å; Y180-R196 HydrophobicContact CD2-CG 4.42Å; Y180-R196 HydrophobicContact CE1-CB 4.01Å; Y180-R196 HydrophobicContact CE1-CG 3.98Å; Y180-R196 HydrophobicContact CE2-CG 4.07Å; Y180-R196 WeakPolarHBondContact OH-CD 3.44Å; R196-P202 PolarHBondContact NE-O 2.94Å; R196-P202 PolarHBondContact NH2-O 2.55Å; R196-P203 VanDerWaalsContact O-CA 3.22Å; R196-P203 WeakPolarHBondContact O-CA 3.49Å; R196-P203 WeakPolarHBondContact O-CB 3.47Å; R196-L204 PolarHBondContact N-O 2.9Å; R196-L204 PolarHBondContact O-N 3Å; R196-K255 PolarHBondContact NH1-O 2.99Å; R196-D257 PolarHBondContact NH1-O 2.72Å; R196-D257 PolarHBondContact NH2-O 3.46Å; R196-W268 HydrophobicContact CB-CH2 3.43Å; R196-W268 VanDerWaalsContact CB-CH2 3.43Å; R196-W268 HydrophobicContact CB-CZ2 3.59Å; R196-W268 HydrophobicContact CG-CH2 4.31Å
197	S	96.4	Very high	95	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-175.6	174.8	65.5	0	0	0	0	113.2	R160 L179 G199	R160-S197 PolarHBondContact NE-OG 3.47Å; R160-S197 VanDerWaalsContact NH2-CB 3.26Å; R160-S197 PolarHBondContact NH2-OG 3.21Å; R160-S197 VanDerWaalsContact NH2-OG 3.14Å; L179-S197 PolarHBondContact N-O 3.2Å; L179-S197 PolarHBondContact O-N 3.45Å; S197-G199 PolarHBondContact O-N 3.39Å; S197-G199 VanDerWaalsContact O-N 3.08Å
198	L	92.6	Very high	95.1	Very high	78 Å²	78	47 Å²	47	41%	0.408	25%	0.253	S	S	.	.	S	Bend	trans	67.9	-7.9	173.8	-53	-173.9	0	0	0	117.7	F129 I155 L179	F129-L198 HydrophobicContact CD2-CD1 4.23Å; F129-L198 HydrophobicContact CE1-CD1 4.4Å; F129-L198 HydrophobicContact CE2-CD1 3.53Å; F129-L198 HydrophobicContact CZ-CD1 3.63Å; I155-L198 HydrophobicContact CD1-CD1 4.02Å; I155-L198 HydrophobicContact CD1-CD2 3.54Å; I155-L198 HydrophobicContact CD1-CG 4.39Å; L179-L198 HydrophobicContact CB-CB 4.3Å; L179-L198 HydrophobicContact CB-CD1 3.93Å; L179-L198 HydrophobicContact CB-CG 4.15Å; L179-L198 HydrophobicContact CD2-CD1 3.95Å; L179-L198 HydrophobicContact CD2-CG 4.49Å
199	G	88.9	Confident	95.1	Very high	29 Å²	29	51.3 Å²	51.3	30%	0.299	26%	0.26	S	S	.	.	S	Bend	trans	-102	-167	172.7	0	0	0	0	0	114.6	S197	S197-G199 PolarHBondContact O-N 3.39Å; S197-G199 VanDerWaalsContact O-N 3.08Å
200	I	88.9	Confident	95.2	Very high	174 Å²	174	52.7 Å²	52.7	89%	0.892	26%	0.262	S	S	*	.	S	Bend	trans	-76.4	-32.5	-176.9	-58.1	170	0	0	0	111.1
201	L	91.3	Very high	95.2	Very high	54 Å²	54	46.1 Å²	46.1	28%	0.283	25%	0.245	S	C	.	.	S	Bend	trans	-71.8	151.5	179.7	-63.1	-174.3	0	0	0	111.4	E178 K255 I258	E178-L201 WeakPolarHBondContact OE1-CB 3.37Å; E178-L201 WeakPolarHBondContact OE1-CD1 3.26Å; E178-L201 WeakPolarHBondContact OE1-CG 3.34Å; L201-K255 WeakPolarHBondContact CD1-O 3.4Å; L201-I258 HydrophobicContact CD2-CG2 4.15Å
202	P	92.4	Very high	95.1	Very high	49 Å²	49	48.9 Å²	48.9	32%	0.318	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-58.4	146.2	178.7	24.5	-34.5	0	0	0	111	R196 L204 I258	R196-P202 PolarHBondContact NE-O 2.94Å; R196-P202 PolarHBondContact NH2-O 2.55Å; P202-L204 PolarHBondContact O-N 3.44Å; P202-I258 HydrophobicContact CG-CB 4.09Å
203	P	95.9	Very high	95.1	Very high	62 Å²	62	47.9 Å²	47.9	40%	0.403	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-65.1	132.4	173.5	26.7	-31.1	0	0	0	109.6	Y195 R196	Y195-P203 HydrophobicContact CE2-CB 3.9Å; Y195-P203 WeakPolarHBondContact OH-CB 3.42Å; R196-P203 VanDerWaalsContact O-CA 3.22Å; R196-P203 WeakPolarHBondContact O-CA 3.49Å; R196-P203 WeakPolarHBondContact O-CB 3.47Å
204	L	97.6	Very high	95.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.6	179.2	-64.9	-179.5	0	0	0	110	Y195 R196 P202 D257 D266 W268	Y195-L204 CarbonylContact C-O 3.49Å; Y195-L204 VanDerWaalsContact CA-O 3.3Å; Y195-L204 WeakPolarHBondContact CA-O 2.91Å; Y195-L204 WeakPolarHBondContact CD2-O 3.22Å; R196-L204 PolarHBondContact N-O 2.9Å; R196-L204 PolarHBondContact O-N 3Å; P202-L204 PolarHBondContact O-N 3.44Å; L204-D257 HydrophobicContact CD1-CB 3.99Å; L204-D257 WeakPolarHBondContact CD1-O 3.42Å; L204-D266 WeakPolarHBondContact CA-O 3.41Å; L204-W268 HydrophobicContact CB-CD2 3.74Å; L204-W268 HydrophobicContact CB-CE3 3.83Å; L204-W268 HydrophobicContact CB-CG 4.4Å; L204-W268 HydrophobicContact CB-CH2 3.9Å; L204-W268 HydrophobicContact CB-CZ2 3.81Å; L204-W268 HydrophobicContact CB-CZ3 3.93Å; L204-W268 HydrophobicContact CD1-CD2 4.21Å; L204-W268 HydrophobicContact CD1-CE3 3.51Å; L204-W268 HydrophobicContact CD1-CH2 4.3Å; L204-W268 HydrophobicContact CD1-CZ3 3.58Å; L204-W268 HydrophobicContact CG-CE3 4.33Å; L204-W268 HydrophobicContact CG-CZ3 4.35Å
205	R	97.3	Very high	95.1	Very high	45 Å²	45	50.2 Å²	50.2	17%	0.17	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	163.4	173.8	62.8	163.9	-70.6	153.6	4.4	112.8	M185 D191 I194 Y195 D266 T267 W268	M185-R205 HydrophobicContact CE-CB 4.13Å; M185-R205 PolarHBondContact SD-NH1 3.22Å; D191-R205 IonicContact OD1-CZ 3.53Å; D191-R205 IonicContact OD1-NH1 2.79Å; D191-R205 PolarHBondContact OD1-NH1 3.16Å; D191-R205 IonicContact OD1-NH2 3.16Å; D191-R205 PolarHBondContact OD1-NH2 3.27Å; D191-R205 IonicContact OD2-CZ 3.71Å; D191-R205 IonicContact OD2-NH1 3.66Å; D191-R205 PolarHBondContact OD2-NH1 2.85Å; D191-R205 IonicContact OD2-NH2 3.84Å; I194-R205 CarbonylContact O-C 3.58Å; I194-R205 WeakPolarHBondContact O-CA 3.22Å; Y195-R205 HydrophobicContact CD2-CB 3.92Å; R205-D266 PolarHBondContact N-O 2.75Å; R205-T267 VanDerWaalsContact O-CA 3.27Å; R205-T267 WeakPolarHBondContact O-CA 3.48Å; R205-T267 WeakPolarHBondContact O-CG2 3.24Å; R205-W268 VanDerWaalsContact O-CD1 3.23Å; R205-W268 PolarHBondContact O-N 3.25Å; R205-W268 VanDerWaalsContact O-N 3.11Å
206	T	97.9	Very high	95	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-71.1	151.7	165.3	47.6	0	0	0	0	111	A193 I194 Q208 W213 L214 F271	A193-T206 VanDerWaalsContact CA-OG1 3.28Å; A193-T206 WeakPolarHBondContact CA-OG1 3.42Å; I194-T206 HydrophobicContact CB-CG2 3.8Å; I194-T206 HydrophobicContact CD1-CG2 4.41Å; I194-T206 HydrophobicContact CG1-CG2 4.44Å; I194-T206 PolarHBondContact N-OG1 2.84Å; I194-T206 PolarHBondContact O-N 3.48Å; I194-T206 VanDerWaalsContact O-N 3.13Å; T206-Q208 PolarHBondContact O-N 3.19Å; T206-W213 HydrophobicContact CG2-CE3 3.66Å; T206-W213 HydrophobicContact CG2-CZ3 3.9Å; T206-L214 HydrophobicContact CG2-CD1 4.14Å; T206-L214 WeakPolarHBondContact OG1-CD1 3.26Å; T206-F271 HydrophobicContact CG2-CD2 4.18Å; T206-F271 HydrophobicContact CG2-CE2 4.26Å
207	A	96.3	Very high	95	Very high	22 Å²	22	54.8 Å²	54.8	18%	0.182	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-54.9	128.6	-179.3	0	0	0	0	0	112	N210 W213 T267	A207-N210 HydrophobicContact CB-CB 4.05Å; A207-W213 HydrophobicContact CB-CD2 3.68Å; A207-W213 HydrophobicContact CB-CE3 4.28Å; A207-W213 HydrophobicContact CB-CG 3.87Å; A207-W213 HydrophobicContact CB-CZ2 4.12Å; A207-T267 HydrophobicContact CB-CG2 4.42Å
208	Q	94.8	Very high	95.1	Very high	97 Å²	97	57.2 Å²	57.2	45%	0.453	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	140.9	-177.9	-157.4	-177.6	30.5	0	0	111.3	D191 T206 N210	D191-Q208 WeakPolarHBondContact OD1-CG 3.15Å; D191-Q208 PolarHBondContact OD2-NE2 3.34Å; T206-Q208 PolarHBondContact O-N 3.19Å; Q208-N210 PolarHBondContact O-N 2.86Å; Q208-N210 VanDerWaalsContact O-N 3.07Å
209	Y	92.5	Very high	95.4	Very high	166 Å²	166	53.8 Å²	53.8	65%	0.651	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	30.3	176.3	-50.5	-55.6	0	0	0	114.9	D191	D191-Y209 HydrophobicContact CB-CE1 4.32Å
210	N	94.9	Very high	95.8	Very high	53 Å²	53	53.7 Å²	53.7	28%	0.283	28%	0.275	S	S	.	.			trans	-113.8	103.4	178.5	-170.9	-31.8	0	0	0	110.7	A207 Q208 K212 W213 L214	A207-N210 HydrophobicContact CB-CB 4.05Å; Q208-N210 PolarHBondContact O-N 2.86Å; Q208-N210 VanDerWaalsContact O-N 3.07Å; N210-K212 PolarHBondContact O-N 3.31Å; N210-K212 WeakPolarHBondContact OD1-CB 3.32Å; N210-K212 PolarHBondContact OD1-N 2.88Å; N210-W213 HydrophobicContact CB-CB 4.42Å; N210-W213 HydrophobicContact CB-CG 4.39Å; N210-W213 VanDerWaalsContact CG-CD1 3.47Å; N210-W213 WeakPolarHBondContact O-CB 3.35Å; N210-W213 PolarHBondContact O-N 3.01Å; N210-L214 PolarHBondContact O-N 3.01Å
211	S	94.8	Very high	96.3	Very high	56 Å²	56	46 Å²	46	39%	0.392	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.9	-177.8	59.9	0	0	0	0	113.9	W213 V238	S211-W213 VanDerWaalsContact C-N 3.26Å; S211-W213 PolarHBondContact O-N 3.17Å; S211-V238 WeakPolarHBondContact O-CG1 3.33Å
212	K	95	Very high	96.6	Very high	67 Å²	67	44 Å²	44	29%	0.291	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-30.6	173.9	-57.7	-171.7	172.4	-176.2	0	111	N210 K273 Q338 W345 I380	N210-K212 PolarHBondContact O-N 3.31Å; N210-K212 WeakPolarHBondContact OD1-CB 3.32Å; N210-K212 PolarHBondContact OD1-N 2.88Å; K212-K273 WeakPolarHBondContact O-CE 3.3Å; K212-K273 PolarHBondContact O-NZ 2.81Å; K212-Q338 PolarHBondContact NZ-O 2.84Å; K212-W345 HydrophobicContact CD-CH2 4.28Å; K212-W345 HydrophobicContact CG-CH2 4.27Å; K212-I380 HydrophobicContact CB-CD1 3.65Å; K212-I380 VanDerWaalsContact O-CD1 3.28Å; K212-I380 WeakPolarHBondContact O-CD1 3.31Å
213	W	97.1	Very high	96.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-59	175.5	-77.3	63.1	0	0	0	111.7	T206 A207 N210 S211 L264 T267 W268 F271 K273 I380	T206-W213 HydrophobicContact CG2-CE3 3.66Å; T206-W213 HydrophobicContact CG2-CZ3 3.9Å; A207-W213 HydrophobicContact CB-CD2 3.68Å; A207-W213 HydrophobicContact CB-CE3 4.28Å; A207-W213 HydrophobicContact CB-CG 3.87Å; A207-W213 HydrophobicContact CB-CZ2 4.12Å; N210-W213 HydrophobicContact CB-CB 4.42Å; N210-W213 HydrophobicContact CB-CG 4.39Å; N210-W213 VanDerWaalsContact CG-CD1 3.47Å; N210-W213 WeakPolarHBondContact O-CB 3.35Å; N210-W213 PolarHBondContact O-N 3.01Å; S211-W213 VanDerWaalsContact C-N 3.26Å; S211-W213 PolarHBondContact O-N 3.17Å; W213-L264 HydrophobicContact CZ2-CD2 4.38Å; W213-T267 HydrophobicContact CH2-CG2 3.72Å; W213-T267 HydrophobicContact CZ2-CG2 4.18Å; W213-T267 HydrophobicContact CZ3-CG2 4.3Å; W213-W268 HydrophobicContact CH2-CB 4.22Å; W213-W268 VanDerWaalsContact CH2-O 3.31Å; W213-W268 WeakPolarHBondContact CH2-O 3.28Å; W213-W268 HydrophobicContact CZ3-CB 4.07Å; W213-F271 HydrophobicContact CD2-CD1 4.13Å; W213-F271 HydrophobicContact CD2-CE1 4.46Å; W213-F271 HydrophobicContact CE3-CB 4.31Å; W213-F271 AromaticContact CE3-CD1 3.52Å; W213-F271 HydrophobicContact CE3-CD1 3.52Å; W213-F271 HydrophobicContact CE3-CE1 4Å; W213-F271 AromaticContact CE3-CG 3.96Å; W213-F271 HydrophobicContact CE3-CG 3.96Å; W213-F271 HydrophobicContact CH2-CB 4.12Å; W213-F271 HydrophobicContact CZ3-CB 3.65Å; W213-F271 AromaticContact CZ3-CD1 3.76Å; W213-F271 HydrophobicContact CZ3-CD1 3.76Å; W213-F271 AromaticContact CZ3-CG 3.79Å; W213-F271 HydrophobicContact CZ3-CG 3.79Å; W213-K273 WeakPolarHBondContact O-CE 3.35Å; W213-K273 PolarHBondContact O-NZ 3.04Å; W213-I380 HydrophobicContact CG-CD1 3.92Å; W213-I380 HydrophobicContact CZ2-CG2 4.39Å
214	L	98.1	Very high	96.9	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	22%	0.219	C	C	.	.			trans	-145.5	130	-179.1	-67.5	174.2	0	0	0	109.5	P192 I194 T206 N210 P217 F219 F233 E235 F271	P192-L214 HydrophobicContact CB-CD1 4.43Å; P192-L214 HydrophobicContact CG-CB 4.21Å; I194-L214 HydrophobicContact CD1-CD2 4.48Å; T206-L214 HydrophobicContact CG2-CD1 4.14Å; T206-L214 WeakPolarHBondContact OG1-CD1 3.26Å; N210-L214 PolarHBondContact O-N 3.01Å; L214-P217 HydrophobicContact CB-CG 4.15Å; L214-P217 HydrophobicContact CD2-CB 4.43Å; L214-P217 HydrophobicContact CD2-CG 4.31Å; L214-F219 HydrophobicContact CD1-CE1 4.5Å; L214-F219 HydrophobicContact CD1-CZ 4.09Å; L214-F219 HydrophobicContact CD2-CE1 4.26Å; L214-F233 HydrophobicContact CD2-CE1 4.41Å; L214-F233 HydrophobicContact CD2-CE2 3.76Å; L214-F233 HydrophobicContact CD2-CZ 3.69Å; L214-E235 WeakPolarHBondContact CA-OE2 3.27Å; L214-F271 HydrophobicContact CD2-CZ 4.46Å
215	N	97.4	Very high	96.8	Very high	40 Å²	40	45 Å²	45	21%	0.214	22%	0.224	C	C	.	.	S	Bend	trans	-129	92.8	-177.5	-171.5	25.1	0	0	0	112.8	E235 N236 V238	N215-E235 PolarHBondContact N-OE2 3.36Å; N215-E235 WeakPolarHBondContact O-CB 3.28Å; N215-N236 WeakPolarHBondContact CB-O 3.39Å; N215-N236 WeakPolarHBondContact ND2-CB 3.22Å; N215-N236 PolarHBondContact ND2-O 3.39Å; N215-N236 PolarHBondContact O-N 2.86Å; N215-V238 HydrophobicContact CB-CG1 4.03Å; N215-V238 WeakPolarHBondContact ND2-CG1 3Å
216	E	96.9	Very high	96.6	Very high	123 Å²	123	45.7 Å²	45.7	58%	0.575	24%	0.244	S	C	*	.	S	Bend	trans	48.7	53.7	-172.7	-56.6	-179.1	171.7	0	0	112.6	N236 K244	E216-N236 PolarHBondContact OE2-ND2 3.24Å; E216-K244 IonicContact OE2-NZ 3.25Å; E216-K244 PolarHBondContact OE2-NZ 2.99Å; E216-K244 VanDerWaalsContact OE2-NZ 3.11Å
217	P	98.1	Very high	96.4	Very high	17 Å²	17	50.4 Å²	50.4	11%	0.11	27%	0.27	C	S	.	.			trans	-72.6	149.6	-175.9	34.1	-37.2	0	0	0	112.1	P192 L214 F219 F233 R234 E235	P192-P217 HydrophobicContact CB-CG 3.45Å; P192-P217 VanDerWaalsContact CB-CG 3.45Å; P192-P217 HydrophobicContact CG-CG 4.02Å; L214-P217 HydrophobicContact CB-CG 4.15Å; L214-P217 HydrophobicContact CD2-CB 4.43Å; L214-P217 HydrophobicContact CD2-CG 4.31Å; P217-F219 HydrophobicContact CB-CE1 4.06Å; P217-F219 HydrophobicContact CB-CE2 4.38Å; P217-F219 HydrophobicContact CB-CZ 3.99Å; P217-F219 HydrophobicContact CG-CE1 4.04Å; P217-F219 HydrophobicContact CG-CE2 3.8Å; P217-F219 HydrophobicContact CG-CZ 3.47Å; P217-F219 VanDerWaalsContact CG-CZ 3.47Å; P217-F233 HydrophobicContact CB-CD2 3.81Å; P217-F233 HydrophobicContact CB-CE2 4.32Å; P217-R234 CarbonylContact C-O 3.6Å; P217-R234 VanDerWaalsContact CA-O 3.29Å; P217-R234 WeakPolarHBondContact CA-O 3.42Å; P217-E235 HydrophobicContact CB-CB 4.12Å
218	N	98.1	Very high	96.5	Very high	56 Å²	56	50.1 Å²	50.1	30%	0.299	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.8	162.5	-79.2	-100.3	0	0	0	107.8	N168 F233 R234	N168-N218 HydrophobicContact CB-CB 4.21Å; N168-N218 PolarHBondContact ND2-OD1 2.88Å; N218-F233 VanDerWaalsContact O-CA 3.29Å; N218-F233 WeakPolarHBondContact O-CA 3.47Å; N218-F233 VanDerWaalsContact O-CB 3.26Å; N218-F233 WeakPolarHBondContact O-CB 3.31Å; N218-R234 HydrophobicContact CB-CG 3.88Å; N218-R234 PolarHBondContact N-O 3.29Å; N218-R234 PolarHBondContact O-N 2.76Å
219	F	98.6	Very high	96.6	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.2	-178.2	-55.9	-75	0	0	0	111.2	N168 T170 A182 P192 I194 L214 P217 F233	N168-F219 WeakPolarHBondContact CB-O 3.15Å; T170-F219 HydrophobicContact CG2-CB 4.06Å; A182-F219 VanDerWaalsContact C-CD2 3.41Å; A182-F219 HydrophobicContact CB-CB 4.16Å; A182-F219 HydrophobicContact CB-CD1 3.42Å; A182-F219 VanDerWaalsContact CB-CD1 3.42Å; A182-F219 HydrophobicContact CB-CD2 4Å; A182-F219 HydrophobicContact CB-CE1 3.67Å; A182-F219 HydrophobicContact CB-CE2 4.2Å; A182-F219 HydrophobicContact CB-CG 3.59Å; A182-F219 HydrophobicContact CB-CZ 4.04Å; A182-F219 VanDerWaalsContact O-CD2 3.28Å; A182-F219 WeakPolarHBondContact O-CD2 3.49Å; P192-F219 HydrophobicContact CB-CE2 4.36Å; P192-F219 HydrophobicContact CB-CZ 4.36Å; I194-F219 HydrophobicContact CD1-CE1 4.37Å; I194-F219 HydrophobicContact CG1-CE1 3.97Å; I194-F219 HydrophobicContact CG1-CZ 4.47Å; L214-F219 HydrophobicContact CD1-CE1 4.5Å; L214-F219 HydrophobicContact CD1-CZ 4.09Å; L214-F219 HydrophobicContact CD2-CE1 4.26Å; P217-F219 HydrophobicContact CB-CE1 4.06Å; P217-F219 HydrophobicContact CB-CE2 4.38Å; P217-F219 HydrophobicContact CB-CZ 3.99Å; P217-F219 HydrophobicContact CG-CE1 4.04Å; P217-F219 HydrophobicContact CG-CE2 3.8Å; P217-F219 HydrophobicContact CG-CZ 3.47Å; P217-F219 VanDerWaalsContact CG-CZ 3.47Å; F219-F233 HydrophobicContact CD1-CB 3.77Å; F219-F233 HydrophobicContact CD1-CD1 4.31Å; F219-F233 HydrophobicContact CD1-CG 4.1Å; F219-F233 HydrophobicContact CE1-CB 4.46Å; F219-F233 HydrophobicContact CE1-CD1 4.48Å; F219-F233 HydrophobicContact CE1-CG 4.36Å; F219-F233 HydrophobicContact CG-CB 4.45Å
220	V	98.2	Very high	96.9	Very high	28 Å²	28	38.1 Å²	38.1	17%	0.17	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-51.4	-172.6	172.6	0	0	0	0	110.8	F232 L291 Q292 T294	V220-F232 WeakPolarHBondContact CB-O 3.29Å; V220-F232 PolarHBondContact N-O 2.93Å; V220-L291 HydrophobicContact CB-CD2 4.11Å; V220-L291 HydrophobicContact CB-CG 4.48Å; V220-L291 HydrophobicContact CG1-CD2 4.24Å; V220-L291 HydrophobicContact CG1-CG 4.3Å; V220-L291 HydrophobicContact CG2-CD2 4.01Å; V220-L291 HydrophobicContact CG2-CG 4.09Å; V220-L291 WeakPolarHBondContact CG2-O 3.03Å; V220-Q292 WeakPolarHBondContact CG1-O 3.22Å; V220-T294 HydrophobicContact CG1-CG2 4.49Å
221	S	98.1	Very high	97.1	Very high	12 Å²	12	35.6 Å²	35.6	8%	0.084	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	162.4	-175	61.4	0	0	0	0	111.6	T170 F232 T294	T170-S221 VanDerWaalsContact OG1-CA 3.28Å; T170-S221 WeakPolarHBondContact OG1-CA 3.27Å; S221-F232 PolarHBondContact N-O 2.9Å; S221-F232 PolarHBondContact O-N 2.98Å; S221-F232 WeakPolarHBondContact OG-CB 3.26Å; S221-T294 VanDerWaalsContact CB-OG1 3.28Å; S221-T294 WeakPolarHBondContact CB-OG1 3.27Å; S221-T294 PolarHBondContact OG-OG1 3.06Å
222	S	98.4	Very high	97.3	Very high	13 Å²	13	32.9 Å²	32.9	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.4	170.3	54.7	0	0	0	0	110.3	T170 L172 Y230	T170-S222 PolarHBondContact OG1-N 2.75Å; T170-S222 PolarHBondContact OG1-OG 2.04Å; L172-S222 WeakPolarHBondContact CD2-OG 3.33Å; S222-Y230 CarbonylContact C-O 3.54Å; S222-Y230 WeakPolarHBondContact CA-O 3.32Å; S222-Y230 WeakPolarHBondContact CB-O 3.29Å
223	Y	98	Very high	97.5	Very high	43 Å²	43	29.7 Å²	29.7	17%	0.169	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.6	179.8	-57.5	-74.7	0	0	0	111.7	Y230 F232 T294 F295 F296	Y223-Y230 PolarHBondContact N-O 3.02Å; Y223-Y230 PolarHBondContact O-N 3.06Å; Y223-F232 AromaticContact CD2-CD2 3.88Å; Y223-F232 HydrophobicContact CD2-CD2 3.88Å; Y223-F232 AromaticContact CD2-CE2 3.68Å; Y223-F232 HydrophobicContact CD2-CE2 3.68Å; Y223-F232 AromaticContact CE2-CD2 3.89Å; Y223-F232 HydrophobicContact CE2-CD2 3.89Å; Y223-F232 AromaticContact CE2-CE2 3.99Å; Y223-F232 HydrophobicContact CE2-CE2 3.99Å; Y223-T294 WeakPolarHBondContact CE2-OG1 3.44Å; Y223-T294 PolarHBondContact OH-O 3.01Å; Y223-T294 PolarHBondContact OH-OG1 2.88Å; Y223-F295 WeakPolarHBondContact OH-CA 3.44Å; Y223-F295 PolarHBondContact OH-N 2.9Å; Y223-F296 HydrophobicContact CD1-CB 3.66Å; Y223-F296 HydrophobicContact CD1-CD1 4.37Å; Y223-F296 HydrophobicContact CD1-CG 4.39Å; Y223-F296 HydrophobicContact CD2-CB 4.23Å; Y223-F296 HydrophobicContact CE1-CB 3.52Å; Y223-F296 HydrophobicContact CE2-CB 4.11Å; Y223-F296 HydrophobicContact CG-CB 4.02Å; Y223-F296 PolarHBondContact OH-N 2.95Å
224	D	96.4	Very high	97.5	Very high	69 Å²	69	30.7 Å²	30.7	37%	0.369	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	99.2	176.5	-166.5	46.6	0	0	0	109.5	L172 K255	L172-D224 HydrophobicContact CD1-CB 4.28Å; L172-D224 HydrophobicContact CD2-CB 4.45Å; D224-K255 WeakPolarHBondContact OD1-CE 3.28Å; D224-K255 IonicContact OD1-NZ 3.36Å; D224-K255 PolarHBondContact OD1-NZ 3.42Å; D224-K255 IonicContact OD2-NZ 3.84Å; D224-K255 PolarHBondContact OD2-NZ 2.92Å
225	I	96	Very high	97.5	Very high	20 Å²	20	30.3 Å²	30.3	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	113.6	-169.7	-49.7	172.9	0	0	0	111.5	N227 F228 Y230 F296 L324	I225-N227 PolarHBondContact O-N 3.2Å; I225-F228 CarbonylContact C-O 3.52Å; I225-F228 PolarHBondContact N-O 3.44Å; I225-F228 PolarHBondContact O-N 3.37Å; I225-F228 VanDerWaalsContact O-N 3.07Å; I225-Y230 HydrophobicContact CB-CD2 3.9Å; I225-Y230 HydrophobicContact CB-CE2 3.92Å; I225-Y230 HydrophobicContact CD1-CD2 3.92Å; I225-Y230 HydrophobicContact CD1-CE2 4.4Å; I225-Y230 HydrophobicContact CG1-CD2 4.16Å; I225-F296 HydrophobicContact CD1-CD1 4.06Å; I225-F296 HydrophobicContact CD1-CD2 4.21Å; I225-F296 HydrophobicContact CD1-CE1 3.82Å; I225-F296 HydrophobicContact CD1-CE2 3.98Å; I225-F296 HydrophobicContact CD1-CG 4.26Å; I225-F296 HydrophobicContact CD1-CZ 3.78Å; I225-F296 HydrophobicContact CG1-CD1 4.32Å; I225-F296 HydrophobicContact CG1-CE1 3.87Å; I225-F296 HydrophobicContact CG1-CZ 4.13Å; I225-F296 HydrophobicContact CG2-CZ 4.29Å; I225-L324 HydrophobicContact CD1-CD1 4.22Å; I225-L324 HydrophobicContact CG2-CD2 3.63Å
226	G	93.6	Very high	97.5	Very high	58 Å²	58	29.3 Å²	29.3	60%	0.598	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	-123.3	-179.3	0	0	0	0	0	111.6	K255	G226-K255 WeakPolarHBondContact O-CE 3.48Å; G226-K255 PolarHBondContact O-NZ 3.13Å
227	N	94	Very high	97.5	Very high	100 Å²	100	24 Å²	24	54%	0.535	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3.3	178.6	-66.8	-20.2	0	0	0	113.9	I225 K255 C357	I225-N227 PolarHBondContact O-N 3.2Å; N227-K255 WeakPolarHBondContact O-CG 3.42Å; N227-K255 PolarHBondContact O-N 2.85Å; N227-C357 HydrophobicContact CB-CB 4.08Å; N227-C357 PolarHBondContact O-SG 2.68Å; N227-C357 VanDerWaalsContact O-SG 3.33Å
228	F	96.7	Very high	97.3	Very high	16 Å²	16	24.6 Å²	24.6	7%	0.07	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.2	-175	-62	-87.5	0	0	0	111.8	I225 Y230 R252 V253 C254 K255 F355 C357	I225-F228 CarbonylContact C-O 3.52Å; I225-F228 PolarHBondContact N-O 3.44Å; I225-F228 PolarHBondContact O-N 3.37Å; I225-F228 VanDerWaalsContact O-N 3.07Å; F228-Y230 HydrophobicContact CB-CD2 4.15Å; F228-Y230 HydrophobicContact CB-CE2 3.63Å; F228-Y230 HydrophobicContact CG-CE2 4.46Å; F228-R252 HydrophobicContact CB-CB 4.49Å; F228-R252 HydrophobicContact CD1-CB 4.36Å; F228-R252 HydrophobicContact CD1-CG 4.2Å; F228-V253 CarbonylContact C-O 3.53Å; F228-V253 VanDerWaalsContact CA-O 3.27Å; F228-V253 WeakPolarHBondContact CA-O 3.41Å; F228-C254 VanDerWaalsContact CE1-SG 3.5Å; F228-K255 WeakPolarHBondContact O-CE 3.42Å; F228-F355 HydrophobicContact CE1-CE1 4.33Å; F228-C357 WeakPolarHBondContact CE1-SG 3.31Å; F228-C357 WeakPolarHBondContact CZ-SG 3.28Å
229	T	97.9	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.2	163.4	-51.9	0	0	0	0	108	L172 Y180 F231 R252 V253	L172-T229 HydrophobicContact CD1-CG2 4.36Å; L172-T229 HydrophobicContact CD2-CG2 3.76Å; L172-T229 HydrophobicContact CG-CG2 4.43Å; Y180-T229 HydrophobicContact CD1-CG2 3.91Å; Y180-T229 HydrophobicContact CD2-CG2 4.48Å; Y180-T229 HydrophobicContact CE1-CG2 4.4Å; Y180-T229 HydrophobicContact CG-CG2 3.94Å; T229-F231 HydrophobicContact CG2-CE1 4.39Å; T229-F231 HydrophobicContact CG2-CE2 3.69Å; T229-F231 HydrophobicContact CG2-CZ 3.59Å; T229-R252 VanDerWaalsContact O-CA 3.3Å; T229-R252 WeakPolarHBondContact O-CA 3.44Å; T229-V253 PolarHBondContact N-O 2.97Å; T229-V253 PolarHBondContact O-N 2.99Å
230	Y	98.6	Very high	96.6	Very high	10 Å²	10	26 Å²	26	4%	0.039	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	144.8	179.5	-70.2	-95.8	0	0	0	111	S222 Y223 I225 F228 A251 R252 L324 I327 F331	S222-Y230 CarbonylContact C-O 3.54Å; S222-Y230 WeakPolarHBondContact CA-O 3.32Å; S222-Y230 WeakPolarHBondContact CB-O 3.29Å; Y223-Y230 PolarHBondContact N-O 3.02Å; Y223-Y230 PolarHBondContact O-N 3.06Å; I225-Y230 HydrophobicContact CB-CD2 3.9Å; I225-Y230 HydrophobicContact CB-CE2 3.92Å; I225-Y230 HydrophobicContact CD1-CD2 3.92Å; I225-Y230 HydrophobicContact CD1-CE2 4.4Å; I225-Y230 HydrophobicContact CG1-CD2 4.16Å; F228-Y230 HydrophobicContact CB-CD2 4.15Å; F228-Y230 HydrophobicContact CB-CE2 3.63Å; F228-Y230 HydrophobicContact CG-CE2 4.46Å; Y230-A251 CarbonylContact C-O 3.54Å; Y230-A251 VanDerWaalsContact CA-O 3.27Å; Y230-A251 WeakPolarHBondContact CA-O 3.34Å; Y230-R252 HydrophobicContact CD1-CB 3.84Å; Y230-R252 HydrophobicContact CE1-CB 3.84Å; Y230-R252 HydrophobicContact CG-CB 4.37Å; Y230-L324 HydrophobicContact CE1-CD1 4.21Å; Y230-L324 HydrophobicContact CE2-CD1 4.21Å; Y230-I327 HydrophobicContact CD1-CG2 4.46Å; Y230-I327 HydrophobicContact CE1-CG2 3.99Å; Y230-F331 HydrophobicContact CE1-CE2 4.12Å
231	F	98.8	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.5	177.2	-60.2	-91.1	0	0	0	109.8	Y180 A182 I194 T229 F233 A250 A251 V253	Y180-F231 HydrophobicContact CD1-CZ 4.03Å; Y180-F231 HydrophobicContact CG-CZ 4.44Å; A182-F231 HydrophobicContact CB-CD1 3.93Å; A182-F231 HydrophobicContact CB-CE1 4.23Å; I194-F231 HydrophobicContact CD1-CB 4.12Å; I194-F231 HydrophobicContact CD1-CD1 4.42Å; I194-F231 HydrophobicContact CD1-CD2 4.13Å; I194-F231 HydrophobicContact CD1-CG 3.96Å; I194-F231 HydrophobicContact CG1-CD1 4.24Å; I194-F231 HydrophobicContact CG1-CG 4.28Å; I194-F231 HydrophobicContact CG2-CD1 4.13Å; I194-F231 HydrophobicContact CG2-CD2 3.98Å; I194-F231 HydrophobicContact CG2-CE1 3.67Å; I194-F231 HydrophobicContact CG2-CE2 3.51Å; I194-F231 HydrophobicContact CG2-CG 4.27Å; I194-F231 HydrophobicContact CG2-CZ 3.33Å; T229-F231 HydrophobicContact CG2-CE1 4.39Å; T229-F231 HydrophobicContact CG2-CE2 3.69Å; T229-F231 HydrophobicContact CG2-CZ 3.59Å; F231-F233 HydrophobicContact CB-CD1 4.45Å; F231-A250 CarbonylContact O-C 3.56Å; F231-A251 HydrophobicContact CB-CB 4.47Å; F231-A251 PolarHBondContact N-O 2.6Å; F231-A251 PolarHBondContact O-N 3Å; F231-V253 HydrophobicContact CE2-CG2 3.96Å
232	F	98.9	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.4	177.2	-63.1	-97.3	0	0	0	109.2	V220 S221 Y223 R249 A250 L276 L291 T294 I303 I327	V220-F232 WeakPolarHBondContact CB-O 3.29Å; V220-F232 PolarHBondContact N-O 2.93Å; S221-F232 PolarHBondContact N-O 2.9Å; S221-F232 PolarHBondContact O-N 2.98Å; S221-F232 WeakPolarHBondContact OG-CB 3.26Å; Y223-F232 AromaticContact CD2-CD2 3.88Å; Y223-F232 HydrophobicContact CD2-CD2 3.88Å; Y223-F232 AromaticContact CD2-CE2 3.68Å; Y223-F232 HydrophobicContact CD2-CE2 3.68Å; Y223-F232 AromaticContact CE2-CD2 3.89Å; Y223-F232 HydrophobicContact CE2-CD2 3.89Å; Y223-F232 AromaticContact CE2-CE2 3.99Å; Y223-F232 HydrophobicContact CE2-CE2 3.99Å; F232-R249 WeakPolarHBondContact CA-O 3.19Å; F232-A250 HydrophobicContact CD1-CB 4.08Å; F232-A250 HydrophobicContact CE1-CB 3.61Å; F232-A250 HydrophobicContact CZ-CB 4.15Å; F232-L276 HydrophobicContact CD1-CD1 3.87Å; F232-L276 HydrophobicContact CE1-CD1 4.22Å; F232-L291 HydrophobicContact CB-CD2 3.83Å; F232-T294 HydrophobicContact CB-CG2 4.09Å; F232-T294 HydrophobicContact CD1-CG2 4.2Å; F232-T294 HydrophobicContact CG-CG2 4.13Å; F232-I303 HydrophobicContact CE1-CD1 3.94Å; F232-I303 HydrophobicContact CE1-CG2 4.15Å; F232-I303 HydrophobicContact CE2-CD1 3.9Å; F232-I303 HydrophobicContact CZ-CD1 3.23Å; F232-I303 HydrophobicContact CZ-CG2 4.29Å; F232-I327 HydrophobicContact CE1-CD1 4.25Å; F232-I327 HydrophobicContact CZ-CD1 4.23Å
233	F	98.9	Very high	94	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	169.9	-176.1	60.6	-85.7	0	0	0	110.6	L214 P217 N218 F219 F231 E235 S248 R249 A251 K273	L214-F233 HydrophobicContact CD2-CE1 4.41Å; L214-F233 HydrophobicContact CD2-CE2 3.76Å; L214-F233 HydrophobicContact CD2-CZ 3.69Å; P217-F233 HydrophobicContact CB-CD2 3.81Å; P217-F233 HydrophobicContact CB-CE2 4.32Å; N218-F233 VanDerWaalsContact O-CA 3.29Å; N218-F233 WeakPolarHBondContact O-CA 3.47Å; N218-F233 VanDerWaalsContact O-CB 3.26Å; N218-F233 WeakPolarHBondContact O-CB 3.31Å; F219-F233 HydrophobicContact CD1-CB 3.77Å; F219-F233 HydrophobicContact CD1-CD1 4.31Å; F219-F233 HydrophobicContact CD1-CG 4.1Å; F219-F233 HydrophobicContact CE1-CB 4.46Å; F219-F233 HydrophobicContact CE1-CD1 4.48Å; F219-F233 HydrophobicContact CE1-CG 4.36Å; F219-F233 HydrophobicContact CG-CB 4.45Å; F231-F233 HydrophobicContact CB-CD1 4.45Å; F233-E235 HydrophobicContact CD2-CB 4.18Å; F233-E235 HydrophobicContact CD2-CG 4.44Å; F233-E235 HydrophobicContact CE2-CB 4.2Å; F233-E235 HydrophobicContact CE2-CG 4.09Å; F233-S248 CarbonylContact O-C 3.53Å; F233-R249 HydrophobicContact CD1-CB 4.22Å; F233-R249 HydrophobicContact CD2-CB 4.08Å; F233-R249 HydrophobicContact CD2-CG 4.14Å; F233-R249 HydrophobicContact CE1-CB 3.95Å; F233-R249 HydrophobicContact CE2-CB 3.81Å; F233-R249 HydrophobicContact CE2-CG 3.7Å; F233-R249 HydrophobicContact CG-CB 4.28Å; F233-R249 HydrophobicContact CZ-CB 3.73Å; F233-R249 HydrophobicContact CZ-CG 4.01Å; F233-R249 PolarHBondContact N-O 3.25Å; F233-R249 VanDerWaalsContact N-O 3.16Å; F233-R249 PolarHBondContact O-N 3.08Å; F233-A251 HydrophobicContact CE1-CB 3.67Å; F233-A251 HydrophobicContact CZ-CB 4.34Å; F233-K273 HydrophobicContact CZ-CD 4.14Å
234	R	98.6	Very high	93.5	Very high	22 Å²	22	42.6 Å²	42.6	8%	0.083	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143	168.5	64.4	-175.7	-175.7	-73.8	-7.2	109.7	P217 N218 V246 F247 E290 L291	P217-R234 CarbonylContact C-O 3.6Å; P217-R234 VanDerWaalsContact CA-O 3.29Å; P217-R234 WeakPolarHBondContact CA-O 3.42Å; N218-R234 HydrophobicContact CB-CG 3.88Å; N218-R234 PolarHBondContact N-O 3.29Å; N218-R234 PolarHBondContact O-N 2.76Å; R234-V246 HydrophobicContact CB-CG1 3.82Å; R234-V246 HydrophobicContact CG-CG1 4.21Å; R234-F247 WeakPolarHBondContact CA-O 3.38Å; R234-E290 WeakPolarHBondContact CD-OE2 3.48Å; R234-E290 IonicContact NE-OE2 2.65Å; R234-E290 PolarHBondContact NE-OE2 3.15Å; R234-L291 WeakPolarHBondContact CD-O 3.43Å; R234-L291 PolarHBondContact NH1-O 2.83Å
235	E	98.3	Very high	93.4	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	168.1	-175.8	70.9	177.9	160.5	0	0	110.5	L214 N215 P217 F233 A237 V246 F247 R249 K273	L214-E235 WeakPolarHBondContact CA-OE2 3.27Å; N215-E235 PolarHBondContact N-OE2 3.36Å; N215-E235 WeakPolarHBondContact O-CB 3.28Å; P217-E235 HydrophobicContact CB-CB 4.12Å; F233-E235 HydrophobicContact CD2-CB 4.18Å; F233-E235 HydrophobicContact CD2-CG 4.44Å; F233-E235 HydrophobicContact CE2-CB 4.2Å; F233-E235 HydrophobicContact CE2-CG 4.09Å; E235-A237 PolarHBondContact O-N 2.99Å; E235-V246 CarbonylContact O-C 3.5Å; E235-V246 VanDerWaalsContact O-CA 3.29Å; E235-V246 WeakPolarHBondContact O-CA 3.43Å; E235-F247 PolarHBondContact N-O 3.02Å; E235-F247 PolarHBondContact O-N 3.04Å; E235-R249 HydrophobicContact CG-CG 4.09Å; E235-R249 WeakPolarHBondContact OE1-CG 3.37Å; E235-R249 IonicContact OE1-CZ 2.92Å; E235-R249 IonicContact OE1-NE 3.63Å; E235-R249 PolarHBondContact OE1-NE 3.08Å; E235-R249 IonicContact OE1-NH2 2.68Å; E235-K273 VanDerWaalsContact CD-NZ 3.26Å; E235-K273 VanDerWaalsContact OE1-CE 3.3Å; E235-K273 WeakPolarHBondContact OE1-CE 3.4Å; E235-K273 IonicContact OE1-NZ 3.11Å; E235-K273 PolarHBondContact OE1-NZ 2.63Å; E235-K273 IonicContact OE2-NZ 2.91Å; E235-K273 PolarHBondContact OE2-NZ 3.36Å
236	N	97.5	Very high	93.4	Very high	19 Å²	19	41 Å²	41	10%	0.102	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124	171.5	-62.7	-36.6	0	0	0	110.4	N215 E216 V238 K244	N215-N236 WeakPolarHBondContact CB-O 3.39Å; N215-N236 WeakPolarHBondContact ND2-CB 3.22Å; N215-N236 PolarHBondContact ND2-O 3.39Å; N215-N236 PolarHBondContact O-N 2.86Å; E216-N236 PolarHBondContact OE2-ND2 3.24Å; N236-V238 PolarHBondContact O-N 3Å; N236-K244 WeakPolarHBondContact ND2-CE 3.37Å; N236-K244 PolarHBondContact ND2-NZ 2.92Å; N236-K244 WeakPolarHBondContact OD1-CE 3.3Å
237	A	96.5	Very high	93.6	Very high	11 Å²	11	38.9 Å²	38.9	9%	0.091	22%	0.219	C	C	.	.			trans	-71.8	113.7	-177.2	0	0	0	0	0	111.5	E235 E239 H240 T245 F247	E235-A237 PolarHBondContact O-N 2.99Å; A237-E239 VanDerWaalsContact C-N 3.29Å; A237-H240 HydrophobicContact CB-CB 4.01Å; A237-T245 HydrophobicContact CB-CG2 3.68Å; A237-T245 PolarHBondContact N-O 2.68Å; A237-F247 HydrophobicContact CB-CB 4.25Å; A237-F247 HydrophobicContact CB-CD2 3.26Å; A237-F247 HydrophobicContact CB-CE2 3.57Å; A237-F247 HydrophobicContact CB-CG 3.78Å; A237-F247 HydrophobicContact CB-CZ 4.3Å
238	V	93.9	Very high	93.9	Very high	30 Å²	30	34.1 Å²	34.1	18%	0.182	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-21.6	175.2	-64.1	0	0	0	0	112.6	S211 N215 N236 H240 W345	S211-V238 WeakPolarHBondContact O-CG1 3.33Å; N215-V238 HydrophobicContact CB-CG1 4.03Å; N215-V238 WeakPolarHBondContact ND2-CG1 3Å; N236-V238 PolarHBondContact O-N 3Å; V238-H240 VanDerWaalsContact C-N 3.26Å; V238-W345 HydrophobicContact CB-CZ2 4.18Å; V238-W345 HydrophobicContact CG2-CH2 3.88Å; V238-W345 HydrophobicContact CG2-CZ2 3.73Å; V238-W345 PolarHBondContact O-NE1 3.44Å; V238-W345 VanDerWaalsContact O-NE1 3.13Å
239	E	93.3	Very high	94	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.065	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	8.2	-179.4	77.7	-84.2	-151.9	0	0	113.9	A237 F247 R249 K336 W345 L381	A237-E239 VanDerWaalsContact C-N 3.29Å; E239-F247 HydrophobicContact CG-CE2 4.44Å; E239-F247 WeakPolarHBondContact OE1-CD2 3.31Å; E239-R249 IonicContact OE1-CZ 3.88Å; E239-R249 IonicContact OE1-NH1 2.89Å; E239-R249 PolarHBondContact OE1-NH1 2.98Å; E239-R249 IonicContact OE1-NH2 2.71Å; E239-R249 PolarHBondContact OE1-NH2 3.31Å; E239-R249 IonicContact OE2-CZ 2.88Å; E239-R249 IonicContact OE2-NH2 3.03Å; E239-R249 PolarHBondContact OE2-NH2 3.48Å; E239-K336 HydrophobicContact CB-CD 3.93Å; E239-K336 HydrophobicContact CG-CD 3.97Å; E239-K336 VanDerWaalsContact CG-NZ 3.35Å; E239-W345 HydrophobicContact CB-CD2 3.81Å; E239-W345 HydrophobicContact CB-CE3 4.22Å; E239-W345 HydrophobicContact CB-CG 3.97Å; E239-L381 HydrophobicContact CB-CD2 3.94Å; E239-L381 HydrophobicContact CG-CD2 4.07Å
240	H	88.3	Confident	94	Very high	79 Å²	79	33.4 Å²	33.4	37%	0.366	19%	0.191	S	C	.	.			trans	-107.5	104.8	175.4	-166.8	65.3	0	0	0	109.2	A237 V238 C242 T245	A237-H240 HydrophobicContact CB-CB 4.01Å; V238-H240 VanDerWaalsContact C-N 3.26Å; H240-C242 VanDerWaalsContact C-N 3.25Å; H240-C242 PolarHBondContact CD2-O 3.12Å; H240-C242 PolarHBondContact NE2-O 3.3Å; H240-C242 PolarHBondContact O-N 3.34Å; H240-T245 HydrophobicContact CB-CG2 3.53Å; H240-T245 WeakPolarHBondContact CD2-CG2 3.48Å; H240-T245 VanDerWaalsContact CG-CG2 3.41Å
241	D	77.3	Confident	94	Very high	120 Å²	120	32.9 Å²	32.9	64%	0.642	19%	0.189	S	C	*	.			trans	-75.8	-13.6	-174.1	-59.5	-38	0	0	0	113
242	C	79.3	Confident	94	Very high	104 Å²	104	33.4 Å²	33.4	70%	0.703	19%	0.191	S	C	*	.	S	Bend	trans	-108.8	85.9	-173.4	-163.7	0	0	0	0	112.5	H240	H240-C242 VanDerWaalsContact C-N 3.25Å; H240-C242 PolarHBondContact CD2-O 3.12Å; H240-C242 PolarHBondContact NE2-O 3.3Å; H240-C242 PolarHBondContact O-N 3.34Å
243	G	82.7	Confident	93.9	Very high	61 Å²	61	33.4 Å²	33.4	63%	0.629	19%	0.191	S	C	*	.	S	Bend	trans	75.8	180	177	0	0	0	0	0	114.1
244	K	88.1	Confident	93.8	Very high	158 Å²	158	33.4 Å²	33.4	69%	0.687	19%	0.191	S	C	*	.			trans	-86.2	113.2	-178.2	-170.2	175.9	-176.1	170.1	0	109.6	E216 N236	E216-K244 IonicContact OE2-NZ 3.25Å; E216-K244 PolarHBondContact OE2-NZ 2.99Å; E216-K244 VanDerWaalsContact OE2-NZ 3.11Å; N236-K244 WeakPolarHBondContact ND2-CE 3.37Å; N236-K244 PolarHBondContact ND2-NZ 2.92Å; N236-K244 WeakPolarHBondContact OD1-CE 3.3Å
245	T	93.8	Very high	93.6	Very high	30 Å²	30	34.4 Å²	34.4	18%	0.184	20%	0.196	C	C	.	.			trans	-121.8	147.6	169.3	-167.8	0	0	0	0	110.8	A237 H240 F247	A237-T245 HydrophobicContact CB-CG2 3.68Å; A237-T245 PolarHBondContact N-O 2.68Å; H240-T245 HydrophobicContact CB-CG2 3.53Å; H240-T245 WeakPolarHBondContact CD2-CG2 3.48Å; H240-T245 VanDerWaalsContact CG-CG2 3.41Å; T245-F247 HydrophobicContact CG2-CD1 4.35Å; T245-F247 HydrophobicContact CG2-CE1 3.83Å; T245-F247 HydrophobicContact CG2-CE2 4.38Å; T245-F247 HydrophobicContact CG2-CZ 3.83Å
246	V	96.9	Very high	93.3	Very high	26 Å²	26	36.7 Å²	36.7	16%	0.158	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.8	170.4	173.8	0	0	0	0	108.3	R234 E235 N289 E290	R234-V246 HydrophobicContact CB-CG1 3.82Å; R234-V246 HydrophobicContact CG-CG1 4.21Å; E235-V246 CarbonylContact O-C 3.5Å; E235-V246 VanDerWaalsContact O-CA 3.29Å; E235-V246 WeakPolarHBondContact O-CA 3.43Å; V246-N289 VanDerWaalsContact O-CB 3.31Å; V246-N289 WeakPolarHBondContact O-CB 3.04Å; V246-E290 HydrophobicContact CG1-CG 4.46Å
247	F	98.2	Very high	93.2	Very high	13 Å²	13	35.8 Å²	35.8	6%	0.057	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.8	166	-73.6	-22.8	0	0	0	111	R234 E235 A237 E239 T245 R275	R234-F247 WeakPolarHBondContact CA-O 3.38Å; E235-F247 PolarHBondContact N-O 3.02Å; E235-F247 PolarHBondContact O-N 3.04Å; A237-F247 HydrophobicContact CB-CB 4.25Å; A237-F247 HydrophobicContact CB-CD2 3.26Å; A237-F247 HydrophobicContact CB-CE2 3.57Å; A237-F247 HydrophobicContact CB-CG 3.78Å; A237-F247 HydrophobicContact CB-CZ 4.3Å; E239-F247 HydrophobicContact CG-CE2 4.44Å; E239-F247 WeakPolarHBondContact OE1-CD2 3.31Å; T245-F247 HydrophobicContact CG2-CD1 4.35Å; T245-F247 HydrophobicContact CG2-CE1 3.83Å; T245-F247 HydrophobicContact CG2-CE2 4.38Å; T245-F247 HydrophobicContact CG2-CZ 3.83Å; F247-R275 HydrophobicContact CB-CG 4.37Å; F247-R275 HydrophobicContact CD2-CG 4.39Å; F247-R275 VanDerWaalsContact CE1-NH2 3.29Å; F247-R275 HydrophobicContact CG-CG 4.31Å; F247-R275 VanDerWaalsContact CZ-CZ 3.46Å
248	S	98.8	Very high	93.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.2	171.3	-65.1	0	0	0	0	110.8	F233 R275 L276 N289 L291	F233-S248 CarbonylContact O-C 3.53Å; S248-R275 WeakPolarHBondContact O-CA 3.43Å; S248-L276 PolarHBondContact O-N 2.69Å; S248-N289 PolarHBondContact N-O 2.96Å; S248-N289 PolarHBondContact OG-O 3.29Å; S248-L291 WeakPolarHBondContact OG-CB 3.39Å; S248-L291 PolarHBondContact OG-N 3.4Å
249	R	98.8	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.8	-170.8	-55.9	-61.3	-169	-168.2	-6.3	111.3	F232 F233 E235 E239 A274	F232-R249 WeakPolarHBondContact CA-O 3.19Å; F233-R249 HydrophobicContact CD1-CB 4.22Å; F233-R249 HydrophobicContact CD2-CB 4.08Å; F233-R249 HydrophobicContact CD2-CG 4.14Å; F233-R249 HydrophobicContact CE1-CB 3.95Å; F233-R249 HydrophobicContact CE2-CB 3.81Å; F233-R249 HydrophobicContact CE2-CG 3.7Å; F233-R249 HydrophobicContact CG-CB 4.28Å; F233-R249 HydrophobicContact CZ-CB 3.73Å; F233-R249 HydrophobicContact CZ-CG 4.01Å; F233-R249 PolarHBondContact N-O 3.25Å; F233-R249 VanDerWaalsContact N-O 3.16Å; F233-R249 PolarHBondContact O-N 3.08Å; E235-R249 HydrophobicContact CG-CG 4.09Å; E235-R249 WeakPolarHBondContact OE1-CG 3.37Å; E235-R249 IonicContact OE1-CZ 2.92Å; E235-R249 IonicContact OE1-NE 3.63Å; E235-R249 PolarHBondContact OE1-NE 3.08Å; E235-R249 IonicContact OE1-NH2 2.68Å; E239-R249 IonicContact OE1-CZ 3.88Å; E239-R249 IonicContact OE1-NH1 2.89Å; E239-R249 PolarHBondContact OE1-NH1 2.98Å; E239-R249 IonicContact OE1-NH2 2.71Å; E239-R249 PolarHBondContact OE1-NH2 3.31Å; E239-R249 IonicContact OE2-CZ 2.88Å; E239-R249 IonicContact OE2-NH2 3.03Å; E239-R249 PolarHBondContact OE2-NH2 3.48Å; R249-A274 VanDerWaalsContact CA-O 3.27Å; R249-A274 WeakPolarHBondContact CA-O 3.27Å
250	A	98.8	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.1	153.8	0	0	0	0	0	107.5	F231 F232 K273 A274 L276 I327	F231-A250 CarbonylContact O-C 3.56Å; F232-A250 HydrophobicContact CD1-CB 4.08Å; F232-A250 HydrophobicContact CE1-CB 3.61Å; F232-A250 HydrophobicContact CZ-CB 4.15Å; A250-K273 CarbonylContact O-C 3.54Å; A250-K273 VanDerWaalsContact O-CA 3.3Å; A250-K273 WeakPolarHBondContact O-CA 3.32Å; A250-A274 PolarHBondContact N-O 2.78Å; A250-A274 PolarHBondContact O-N 2.79Å; A250-L276 HydrophobicContact CB-CD1 4.34Å; A250-L276 HydrophobicContact CB-CD2 4.01Å; A250-L276 HydrophobicContact CB-CG 4.23Å; A250-I327 HydrophobicContact CB-CG2 4.33Å
251	A	98.8	Very high	92.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.1	171	0	0	0	0	0	110.7	Y230 F231 F233 F271 M272 K273	Y230-A251 CarbonylContact C-O 3.54Å; Y230-A251 VanDerWaalsContact CA-O 3.27Å; Y230-A251 WeakPolarHBondContact CA-O 3.34Å; F231-A251 HydrophobicContact CB-CB 4.47Å; F231-A251 PolarHBondContact N-O 2.6Å; F231-A251 PolarHBondContact O-N 3Å; F233-A251 HydrophobicContact CE1-CB 3.67Å; F233-A251 HydrophobicContact CZ-CB 4.34Å; A251-F271 HydrophobicContact CB-CE2 3.74Å; A251-F271 HydrophobicContact CB-CZ 4.2Å; A251-M272 CarbonylContact C-O 3.42Å; A251-M272 WeakPolarHBondContact CA-O 3.39Å; A251-M272 WeakPolarHBondContact CB-O 3.43Å; A251-K273 HydrophobicContact CB-CB 3.81Å
252	R	97.7	Very high	93.2	Very high	11 Å²	11	40.1 Å²	40.1	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.8	174.1	69.6	179.4	-175.9	175.7	5.5	111.9	F228 T229 Y230 F271 M272 F331	F228-R252 HydrophobicContact CB-CB 4.49Å; F228-R252 HydrophobicContact CD1-CB 4.36Å; F228-R252 HydrophobicContact CD1-CG 4.2Å; T229-R252 VanDerWaalsContact O-CA 3.3Å; T229-R252 WeakPolarHBondContact O-CA 3.44Å; Y230-R252 HydrophobicContact CD1-CB 3.84Å; Y230-R252 HydrophobicContact CE1-CB 3.84Å; Y230-R252 HydrophobicContact CG-CB 4.37Å; R252-F271 WeakPolarHBondContact O-CA 3.43Å; R252-M272 PolarHBondContact N-O 2.87Å; R252-M272 PolarHBondContact O-N 2.93Å; R252-F331 HydrophobicContact CB-CE2 4.29Å; R252-F331 HydrophobicContact CB-CZ 4.39Å; R252-F331 VanDerWaalsContact CD-CD2 3.49Å; R252-F331 HydrophobicContact CG-CD2 4.11Å; R252-F331 HydrophobicContact CG-CE1 4.27Å; R252-F331 HydrophobicContact CG-CE2 3.81Å; R252-F331 HydrophobicContact CG-CG 4.45Å; R252-F331 HydrophobicContact CG-CZ 3.91Å
253	V	97.9	Very high	93.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.4	167.6	-59.4	0	0	0	0	109	Y180 F228 T229 F231 W268 F271	Y180-V253 HydrophobicContact CD1-CG2 4.47Å; Y180-V253 HydrophobicContact CE1-CG2 4.09Å; F228-V253 CarbonylContact C-O 3.53Å; F228-V253 VanDerWaalsContact CA-O 3.27Å; F228-V253 WeakPolarHBondContact CA-O 3.41Å; T229-V253 PolarHBondContact N-O 2.97Å; T229-V253 PolarHBondContact O-N 2.99Å; F231-V253 HydrophobicContact CE2-CG2 3.96Å; V253-W268 HydrophobicContact CB-CD2 4.28Å; V253-W268 HydrophobicContact CB-CE3 3.94Å; V253-W268 HydrophobicContact CB-CZ3 4.14Å; V253-W268 HydrophobicContact CG1-CD2 3.91Å; V253-W268 HydrophobicContact CG1-CE3 4.08Å; V253-W268 HydrophobicContact CG1-CG 4.1Å; V253-W268 HydrophobicContact CG2-CE3 4.29Å; V253-W268 HydrophobicContact CG2-CH2 4.14Å; V253-W268 HydrophobicContact CG2-CZ3 4.02Å; V253-F271 HydrophobicContact CG1-CB 4.13Å; V253-F271 HydrophobicContact CG1-CD2 3.99Å
254	C	96.6	Very high	94.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.7	171.1	-78.6	0	0	0	0	111.2	F228 N256 D257 T270 F355 C357	F228-C254 VanDerWaalsContact CE1-SG 3.5Å; C254-N256 VanDerWaalsContact C-N 3.29Å; C254-N256 WeakPolarHBondContact CB-OD1 3.45Å; C254-N256 PolarHBondContact O-N 3.24Å; C254-D257 HydrophobicContact CB-CB 4.26Å; C254-D257 WeakPolarHBondContact O-CB 3.33Å; C254-D257 PolarHBondContact O-N 3.26Å; C254-T270 HydrophobicContact CB-CG2 3.91Å; C254-T270 PolarHBondContact N-OG1 3.24Å; C254-F355 VanDerWaalsContact SG-CE1 3.57Å; C254-C357 WeakPolarHBondContact CA-SG 3.47Å; C254-C357 HydrophobicContact CB-CB 3.74Å; C254-C357 WeakPolarHBondContact CB-SG 3.47Å; C254-C357 WeakPolarHBondContact SG-CA 3.39Å; C254-C357 WeakPolarHBondContact SG-CB 3.46Å; C254-C357 CovalentContact SG-SG 2.04Å; C254-C357 PolarHBondContact SG-SG 3.47Å
255	K	94.3	Very high	94.3	Very high	43 Å²	43	34 Å²	34	19%	0.187	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-36.6	178.3	-64.4	179.5	-165.3	-168.9	0	112.3	Y180 R196 L201 D224 G226 N227 F228 D257	Y180-K255 WeakPolarHBondContact OH-CA 3.48Å; Y180-K255 PolarHBondContact OH-O 3.29Å; R196-K255 PolarHBondContact NH1-O 2.99Å; L201-K255 WeakPolarHBondContact CD1-O 3.4Å; D224-K255 WeakPolarHBondContact OD1-CE 3.28Å; D224-K255 IonicContact OD1-NZ 3.36Å; D224-K255 PolarHBondContact OD1-NZ 3.42Å; D224-K255 IonicContact OD2-NZ 3.84Å; D224-K255 PolarHBondContact OD2-NZ 2.92Å; G226-K255 WeakPolarHBondContact O-CE 3.48Å; G226-K255 PolarHBondContact O-NZ 3.13Å; N227-K255 WeakPolarHBondContact O-CG 3.42Å; N227-K255 PolarHBondContact O-N 2.85Å; F228-K255 WeakPolarHBondContact O-CE 3.42Å; K255-D257 VanDerWaalsContact C-N 3.32Å; K255-D257 PolarHBondContact O-N 3.31Å
256	N	93.1	Very high	94.3	Very high	51 Å²	51	37.1 Å²	37.1	27%	0.273	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	11.3	178.4	72.2	-20.9	0	0	0	114	C254 I258 C357	C254-N256 VanDerWaalsContact C-N 3.29Å; C254-N256 WeakPolarHBondContact CB-OD1 3.45Å; C254-N256 PolarHBondContact O-N 3.24Å; N256-I258 WeakPolarHBondContact O-CG2 3.31Å; N256-I258 PolarHBondContact O-N 3.07Å; N256-C357 WeakPolarHBondContact OD1-CB 3.03Å
257	D	95	Very high	94.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.			trans	-60.5	132	174.2	-165.9	-25.1	0	0	0	108.5	R196 L204 C254 K255 G259 W268 T269 T270 T369	R196-D257 PolarHBondContact NH1-O 2.72Å; R196-D257 PolarHBondContact NH2-O 3.46Å; L204-D257 HydrophobicContact CD1-CB 3.99Å; L204-D257 WeakPolarHBondContact CD1-O 3.42Å; C254-D257 HydrophobicContact CB-CB 4.26Å; C254-D257 WeakPolarHBondContact O-CB 3.33Å; C254-D257 PolarHBondContact O-N 3.26Å; K255-D257 VanDerWaalsContact C-N 3.32Å; K255-D257 PolarHBondContact O-N 3.31Å; D257-G259 PolarHBondContact OD1-N 3.27Å; D257-W268 HydrophobicContact CB-CE3 3.9Å; D257-W268 HydrophobicContact CB-CZ3 3.95Å; D257-T269 VanDerWaalsContact CG-OG1 3.31Å; D257-T269 PolarHBondContact OD1-OG1 2.83Å; D257-T269 PolarHBondContact OD2-N 3.48Å; D257-T269 PolarHBondContact OD2-OG1 2.84Å; D257-T270 HydrophobicContact CB-CG2 4.32Å; D257-T270 WeakPolarHBondContact OD2-CB 3.27Å; D257-T270 WeakPolarHBondContact OD2-CG2 3.37Å; D257-T270 PolarHBondContact OD2-N 2.79Å; D257-T270 PolarHBondContact OD2-OG1 2.88Å; D257-T369 VanDerWaalsContact CA-OG1 3.31Å; D257-T369 WeakPolarHBondContact CA-OG1 3.41Å; D257-T369 PolarHBondContact OD1-OG1 3.24Å
258	I	93.6	Very high	94.3	Very high	45 Å²	45	36.3 Å²	36.3	23%	0.231	17%	0.174	C	C	.	.			trans	-116.1	8	178.3	70	153.5	0	0	0	112.9	L201 P202 N256 N367 L368 T369	L201-I258 HydrophobicContact CD2-CG2 4.15Å; P202-I258 HydrophobicContact CG-CB 4.09Å; N256-I258 WeakPolarHBondContact O-CG2 3.31Å; N256-I258 PolarHBondContact O-N 3.07Å; I258-N367 WeakPolarHBondContact CD1-O 3.33Å; I258-N367 WeakPolarHBondContact CG1-O 3.48Å; I258-L368 HydrophobicContact CD1-CD2 3.69Å; I258-L368 HydrophobicContact CG1-CD2 4.24Å; I258-T369 PolarHBondContact N-OG1 3.07Å
259	G	93.8	Very high	94.2	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	18%	0.175	C	C	.	.			trans	83.7	176.6	-177.9	0	0	0	0	0	112.8	D257 T267 T269	D257-G259 PolarHBondContact OD1-N 3.27Å; G259-T267 WeakPolarHBondContact CA-O 3.37Å; G259-T269 VanDerWaalsContact C-CG2 3.41Å
260	G	90.8	Very high	94.1	Very high	12 Å²	12	36.5 Å²	36.5	12%	0.124	18%	0.175	C	C	.	.			trans	-88.6	175.8	174.4	0	0	0	0	0	112.5	L263 L264 T269	G260-L263 CarbonylContact C-O 3.4Å; G260-L263 VanDerWaalsContact CA-O 3.26Å; G260-L263 WeakPolarHBondContact CA-O 3.47Å; G260-L264 WeakPolarHBondContact CA-O 3.39Å; G260-L264 PolarHBondContact N-O 3.44Å; G260-T269 VanDerWaalsContact N-CG2 3.33Å
261	R	84.6	Confident	94	Very high	116 Å²	116	36.7 Å²	36.7	44%	0.438	18%	0.176	S	C	.	.	S	Bend	trans	-120.2	124.9	174.9	-173	-176.2	178.3	176.4	2.3	108.9	L263 L364 L368	R261-L263 PolarHBondContact N-O 3.34Å; R261-L263 PolarHBondContact O-N 2.85Å; R261-L364 PolarHBondContact NH1-O 2.87Å; R261-L368 HydrophobicContact CB-CD1 3.96Å
262	F	85.7	Confident	94	Very high	170 Å²	170	36.8 Å²	36.8	75%	0.746	18%	0.177	S	C	*	.	S	Bend	trans	62.8	-49.9	-170.9	-51	-72.2	0	0	0	114.5
263	L	89.4	Confident	94	Very high	48 Å²	48	36.3 Å²	36.3	25%	0.251	18%	0.175	S	C	.	.	S	Bend	trans	-96.6	133.2	168.6	179.8	60.7	0	0	0	108.9	G260 R261 E265 L373 Q374	G260-L263 CarbonylContact C-O 3.4Å; G260-L263 VanDerWaalsContact CA-O 3.26Å; G260-L263 WeakPolarHBondContact CA-O 3.47Å; R261-L263 PolarHBondContact N-O 3.34Å; R261-L263 PolarHBondContact O-N 2.85Å; L263-E265 PolarHBondContact O-N 2.89Å; L263-L373 HydrophobicContact CB-CB 4.49Å; L263-L373 HydrophobicContact CB-CD1 4.33Å; L263-L373 HydrophobicContact CD2-CB 3.75Å; L263-L373 HydrophobicContact CG-CB 4.19Å; L263-Q374 HydrophobicContact CD2-CG 4.46Å
264	L	91.7	Very high	94	Very high	20 Å²	20	36.3 Å²	36.3	11%	0.105	18%	0.175	C	C	.	.	S	Bend	trans	57.2	34.6	-177.2	-58.9	171.3	0	0	0	113.1	W213 G260 D266 T267 T269 A376 Q377	W213-L264 HydrophobicContact CZ2-CD2 4.38Å; G260-L264 WeakPolarHBondContact CA-O 3.39Å; G260-L264 PolarHBondContact N-O 3.44Å; L264-D266 PolarHBondContact O-N 2.83Å; L264-T267 HydrophobicContact CB-CG2 4.48Å; L264-T267 HydrophobicContact CD2-CG2 3.73Å; L264-T267 PolarHBondContact O-N 2.89Å; L264-T267 VanDerWaalsContact O-N 3.16Å; L264-T269 HydrophobicContact CB-CG2 4.45Å; L264-T269 HydrophobicContact CD1-CG2 4.45Å; L264-A376 HydrophobicContact CD1-CB 3.68Å; L264-Q377 HydrophobicContact CD1-CB 4.47Å
265	E	92.1	Very high	94.1	Very high	127 Å²	127	38.4 Å²	38.4	59%	0.593	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	135.9	168.9	-171.1	168.2	-155.8	0	0	109.6	L263 T267	L263-E265 PolarHBondContact O-N 2.89Å; E265-T267 PolarHBondContact O-N 2.95Å; E265-T267 PolarHBondContact O-OG1 2.88Å
266	D	94.3	Very high	94.3	Very high	95 Å²	95	36.7 Å²	36.7	51%	0.508	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	20.1	-173.8	-55.9	-34	0	0	0	115.1	L204 R205 L264	L204-D266 WeakPolarHBondContact CA-O 3.41Å; R205-D266 PolarHBondContact N-O 2.75Å; L264-D266 PolarHBondContact O-N 2.83Å
267	T	97.1	Very high	94.6	Very high	22 Å²	22	35.1 Å²	35.1	14%	0.135	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-121.1	140.6	-175.7	-53.4	0	0	0	0	110	R205 A207 W213 G259 L264 E265 T269	R205-T267 VanDerWaalsContact O-CA 3.27Å; R205-T267 WeakPolarHBondContact O-CA 3.48Å; R205-T267 WeakPolarHBondContact O-CG2 3.24Å; A207-T267 HydrophobicContact CB-CG2 4.42Å; W213-T267 HydrophobicContact CH2-CG2 3.72Å; W213-T267 HydrophobicContact CZ2-CG2 4.18Å; W213-T267 HydrophobicContact CZ3-CG2 4.3Å; G259-T267 WeakPolarHBondContact CA-O 3.37Å; L264-T267 HydrophobicContact CB-CG2 4.48Å; L264-T267 HydrophobicContact CD2-CG2 3.73Å; L264-T267 PolarHBondContact O-N 2.89Å; L264-T267 VanDerWaalsContact O-N 3.16Å; E265-T267 PolarHBondContact O-N 2.95Å; E265-T267 PolarHBondContact O-OG1 2.88Å; T267-T269 PolarHBondContact O-N 3.03Å
268	W	97.6	Very high	94.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.			trans	-52.8	138	175.1	-61.5	111.3	0	0	0	111.5	Y180 I194 R196 L204 R205 W213 V253 D257 F271	Y180-W268 HydrophobicContact CD1-CH2 4.2Å; Y180-W268 HydrophobicContact CD1-CZ2 4.46Å; Y180-W268 AromaticContact CE1-CH2 3.66Å; Y180-W268 HydrophobicContact CE1-CH2 3.66Å; Y180-W268 HydrophobicContact CE1-CZ2 4.35Å; Y180-W268 HydrophobicContact CE1-CZ3 4.46Å; I194-W268 PolarHBondContact O-NE1 3.24Å; R196-W268 HydrophobicContact CB-CH2 3.43Å; R196-W268 VanDerWaalsContact CB-CH2 3.43Å; R196-W268 HydrophobicContact CB-CZ2 3.59Å; R196-W268 HydrophobicContact CG-CH2 4.31Å; L204-W268 HydrophobicContact CB-CD2 3.74Å; L204-W268 HydrophobicContact CB-CE3 3.83Å; L204-W268 HydrophobicContact CB-CG 4.4Å; L204-W268 HydrophobicContact CB-CH2 3.9Å; L204-W268 HydrophobicContact CB-CZ2 3.81Å; L204-W268 HydrophobicContact CB-CZ3 3.93Å; L204-W268 HydrophobicContact CD1-CD2 4.21Å; L204-W268 HydrophobicContact CD1-CE3 3.51Å; L204-W268 HydrophobicContact CD1-CH2 4.3Å; L204-W268 HydrophobicContact CD1-CZ3 3.58Å; L204-W268 HydrophobicContact CG-CE3 4.33Å; L204-W268 HydrophobicContact CG-CZ3 4.35Å; R205-W268 VanDerWaalsContact O-CD1 3.23Å; R205-W268 PolarHBondContact O-N 3.25Å; R205-W268 VanDerWaalsContact O-N 3.11Å; W213-W268 HydrophobicContact CH2-CB 4.22Å; W213-W268 VanDerWaalsContact CH2-O 3.31Å; W213-W268 WeakPolarHBondContact CH2-O 3.28Å; W213-W268 HydrophobicContact CZ3-CB 4.07Å; V253-W268 HydrophobicContact CB-CD2 4.28Å; V253-W268 HydrophobicContact CB-CE3 3.94Å; V253-W268 HydrophobicContact CB-CZ3 4.14Å; V253-W268 HydrophobicContact CG1-CD2 3.91Å; V253-W268 HydrophobicContact CG1-CE3 4.08Å; V253-W268 HydrophobicContact CG1-CG 4.1Å; V253-W268 HydrophobicContact CG2-CE3 4.29Å; V253-W268 HydrophobicContact CG2-CH2 4.14Å; V253-W268 HydrophobicContact CG2-CZ3 4.02Å; D257-W268 HydrophobicContact CB-CE3 3.9Å; D257-W268 HydrophobicContact CB-CZ3 3.95Å; W268-F271 HydrophobicContact CB-CB 3.84Å; W268-F271 HydrophobicContact CG-CB 4.5Å
269	T	95.8	Very high	94.9	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	16%	0.16	C	C	.	.	S	Bend	trans	-103.1	-18.1	172.4	63.1	0	0	0	0	111.6	D257 G259 G260 L264 T267 L373 A376	D257-T269 VanDerWaalsContact CG-OG1 3.31Å; D257-T269 PolarHBondContact OD1-OG1 2.83Å; D257-T269 PolarHBondContact OD2-N 3.48Å; D257-T269 PolarHBondContact OD2-OG1 2.84Å; G259-T269 VanDerWaalsContact C-CG2 3.41Å; G260-T269 VanDerWaalsContact N-CG2 3.33Å; L264-T269 HydrophobicContact CB-CG2 4.45Å; L264-T269 HydrophobicContact CD1-CG2 4.45Å; T267-T269 PolarHBondContact O-N 3.03Å; T269-L373 HydrophobicContact CG2-CD2 3.55Å; T269-A376 VanDerWaalsContact O-CB 3.23Å; T269-A376 WeakPolarHBondContact O-CB 3.47Å
270	T	96.7	Very high	94.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	18%	0.178	C	C	.	.	S	Bend	trans	-108.1	4.6	-172.9	61.2	0	0	0	0	114.1	C254 D257 M272 F355 T369	C254-T270 HydrophobicContact CB-CG2 3.91Å; C254-T270 PolarHBondContact N-OG1 3.24Å; D257-T270 HydrophobicContact CB-CG2 4.32Å; D257-T270 WeakPolarHBondContact OD2-CB 3.27Å; D257-T270 WeakPolarHBondContact OD2-CG2 3.37Å; D257-T270 PolarHBondContact OD2-N 2.79Å; D257-T270 PolarHBondContact OD2-OG1 2.88Å; T270-M272 PolarHBondContact O-N 2.81Å; T270-F355 HydrophobicContact CG2-CE1 4.06Å; T270-F355 HydrophobicContact CG2-CZ 3.5Å; T270-T369 HydrophobicContact CG2-CG2 3.57Å
271	F	97.9	Very high	95.1	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.013	20%	0.198	C	C	.	.			trans	-64.4	121.9	179.6	177.4	-97.9	0	0	0	111.6	I194 T206 W213 L214 A251 R252 V253 W268 K273 I380	I194-F271 HydrophobicContact CD1-CD2 4.39Å; I194-F271 HydrophobicContact CD1-CE2 3.65Å; T206-F271 HydrophobicContact CG2-CD2 4.18Å; T206-F271 HydrophobicContact CG2-CE2 4.26Å; W213-F271 HydrophobicContact CD2-CD1 4.13Å; W213-F271 HydrophobicContact CD2-CE1 4.46Å; W213-F271 HydrophobicContact CE3-CB 4.31Å; W213-F271 AromaticContact CE3-CD1 3.52Å; W213-F271 HydrophobicContact CE3-CD1 3.52Å; W213-F271 HydrophobicContact CE3-CE1 4Å; W213-F271 AromaticContact CE3-CG 3.96Å; W213-F271 HydrophobicContact CE3-CG 3.96Å; W213-F271 HydrophobicContact CH2-CB 4.12Å; W213-F271 HydrophobicContact CZ3-CB 3.65Å; W213-F271 AromaticContact CZ3-CD1 3.76Å; W213-F271 HydrophobicContact CZ3-CD1 3.76Å; W213-F271 AromaticContact CZ3-CG 3.79Å; W213-F271 HydrophobicContact CZ3-CG 3.79Å; L214-F271 HydrophobicContact CD2-CZ 4.46Å; A251-F271 HydrophobicContact CB-CE2 3.74Å; A251-F271 HydrophobicContact CB-CZ 4.2Å; R252-F271 WeakPolarHBondContact O-CA 3.43Å; V253-F271 HydrophobicContact CG1-CB 4.13Å; V253-F271 HydrophobicContact CG1-CD2 3.99Å; W268-F271 HydrophobicContact CB-CB 3.84Å; W268-F271 HydrophobicContact CG-CB 4.5Å; F271-K273 HydrophobicContact CE1-CD 4.37Å; F271-K273 HydrophobicContact CZ-CB 4.29Å; F271-K273 HydrophobicContact CZ-CD 4.25Å; F271-I380 HydrophobicContact CD1-CB 4.36Å; F271-I380 HydrophobicContact CD1-CG2 4.3Å
272	M	97.4	Very high	95.4	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.9	172.3	-66.2	174.2	-82.6	0	0	109.5	A251 R252 T270 F331 F335 F355 I380	A251-M272 CarbonylContact C-O 3.42Å; A251-M272 WeakPolarHBondContact CA-O 3.39Å; A251-M272 WeakPolarHBondContact CB-O 3.43Å; R252-M272 PolarHBondContact N-O 2.87Å; R252-M272 PolarHBondContact O-N 2.93Å; T270-M272 PolarHBondContact O-N 2.81Å; M272-F331 HydrophobicContact CB-CD1 3.75Å; M272-F331 HydrophobicContact CB-CE1 3.81Å; M272-F331 WeakPolarHBondContact O-CE1 3.29Å; M272-F335 HydrophobicContact CG-CE1 4.18Å; M272-F335 HydrophobicContact CG-CZ 4.48Å; M272-F335 HydrophobicContact SD-CE1 4.13Å; M272-F335 HydrophobicContact SD-CZ 3.92Å; M272-F355 HydrophobicContact CE-CD1 3.73Å; M272-F355 HydrophobicContact CE-CE1 4.12Å; M272-I380 CarbonylContact C-O 3.57Å; M272-I380 WeakPolarHBondContact CA-O 3.32Å
273	K	98.6	Very high	95.7	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.3	175.2	69.6	-178.5	179.2	-176.7	0	112.6	K212 W213 F233 E235 A250 A251 F271 I380 L381 M382	K212-K273 WeakPolarHBondContact O-CE 3.3Å; K212-K273 PolarHBondContact O-NZ 2.81Å; W213-K273 WeakPolarHBondContact O-CE 3.35Å; W213-K273 PolarHBondContact O-NZ 3.04Å; F233-K273 HydrophobicContact CZ-CD 4.14Å; E235-K273 VanDerWaalsContact CD-NZ 3.26Å; E235-K273 VanDerWaalsContact OE1-CE 3.3Å; E235-K273 WeakPolarHBondContact OE1-CE 3.4Å; E235-K273 IonicContact OE1-NZ 3.11Å; E235-K273 PolarHBondContact OE1-NZ 2.63Å; E235-K273 IonicContact OE2-NZ 2.91Å; E235-K273 PolarHBondContact OE2-NZ 3.36Å; A250-K273 CarbonylContact O-C 3.54Å; A250-K273 VanDerWaalsContact O-CA 3.3Å; A250-K273 WeakPolarHBondContact O-CA 3.32Å; A251-K273 HydrophobicContact CB-CB 3.81Å; F271-K273 HydrophobicContact CE1-CD 4.37Å; F271-K273 HydrophobicContact CZ-CB 4.29Å; F271-K273 HydrophobicContact CZ-CD 4.25Å; K273-I380 PolarHBondContact N-O 2.79Å; K273-L381 HydrophobicContact CG-CD1 4Å; K273-L381 WeakPolarHBondContact O-CA 3.34Å; K273-M382 PolarHBondContact O-N 3.04Å
274	A	98.7	Very high	95.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151.7	176.9	0	0	0	0	0	110.4	R249 A250 A330 F331 M382 V386	R249-A274 VanDerWaalsContact CA-O 3.27Å; R249-A274 WeakPolarHBondContact CA-O 3.27Å; A250-A274 PolarHBondContact N-O 2.78Å; A250-A274 PolarHBondContact O-N 2.79Å; A274-A330 HydrophobicContact CB-CB 4.26Å; A274-F331 HydrophobicContact CB-CE1 4.12Å; A274-F331 HydrophobicContact CB-CZ 4.4Å; A274-M382 HydrophobicContact CB-CB 3.9Å; A274-M382 HydrophobicContact CB-CG 3.85Å; A274-V386 HydrophobicContact CB-CG2 3.94Å
275	R	98.6	Very high	96	Very high	44 Å²	44	45.5 Å²	45.5	17%	0.166	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.1	174.4	-177.6	-179.9	173.6	-171	-1.1	109.9	F247 S248 V385 V386	F247-R275 HydrophobicContact CB-CG 4.37Å; F247-R275 HydrophobicContact CD2-CG 4.39Å; F247-R275 VanDerWaalsContact CE1-NH2 3.29Å; F247-R275 HydrophobicContact CG-CG 4.31Å; F247-R275 VanDerWaalsContact CZ-CZ 3.46Å; S248-R275 WeakPolarHBondContact O-CA 3.43Å; R275-V385 HydrophobicContact CB-CG1 4.03Å; R275-V385 HydrophobicContact CB-CG2 4.22Å; R275-V385 HydrophobicContact CG-CG1 3.92Å; R275-V385 HydrophobicContact CG-CG2 4.5Å; R275-V385 WeakPolarHBondContact O-CG1 3.42Å; R275-V386 PolarHBondContact O-N 3.09Å
276	L	98.7	Very high	96.1	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.9	167.4	-64.4	170.6	0	0	0	109.7	F232 S248 A250 F307 F322 V386	F232-L276 HydrophobicContact CD1-CD1 3.87Å; F232-L276 HydrophobicContact CE1-CD1 4.22Å; S248-L276 PolarHBondContact O-N 2.69Å; A250-L276 HydrophobicContact CB-CD1 4.34Å; A250-L276 HydrophobicContact CB-CD2 4.01Å; A250-L276 HydrophobicContact CB-CG 4.23Å; L276-F307 HydrophobicContact CB-CE1 4.18Å; L276-F307 HydrophobicContact CB-CZ 4.19Å; L276-F307 HydrophobicContact CD1-CZ 4.27Å; L276-F322 HydrophobicContact CB-CE1 4.41Å; L276-F322 HydrophobicContact CB-CZ 4.14Å; L276-F322 HydrophobicContact CD2-CD1 4.16Å; L276-F322 HydrophobicContact CD2-CD2 4.48Å; L276-F322 HydrophobicContact CD2-CE1 4.14Å; L276-F322 HydrophobicContact CD2-CE2 4.47Å; L276-F322 HydrophobicContact CD2-CG 4.33Å; L276-F322 HydrophobicContact CD2-CZ 4.3Å; L276-V386 HydrophobicContact CD2-CB 3.87Å; L276-V386 HydrophobicContact CD2-CG1 4.02Å; L276-V386 HydrophobicContact CD2-CG2 4.21Å
277	N	98.2	Very high	96.2	Very high	18 Å²	18	44.1 Å²	44.1	10%	0.096	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-96.5	128.1	172.1	-171.7	16.3	0	0	0	111	S279 Y287 F322 V385 V386 Q387 P388	N277-S279 PolarHBondContact ND2-OG 2.77Å; N277-S279 PolarHBondContact OD1-OG 2.99Å; N277-Y287 WeakPolarHBondContact OD1-CE1 3.44Å; N277-F322 VanDerWaalsContact O-CE1 3.27Å; N277-F322 WeakPolarHBondContact O-CE1 3.13Å; N277-F322 WeakPolarHBondContact O-CZ 3.37Å; N277-V385 HydrophobicContact CB-CG1 3.72Å; N277-V386 PolarHBondContact N-O 3.33Å; N277-Q387 PolarHBondContact ND2-OE1 2.7Å; N277-P388 WeakPolarHBondContact O-CD 3.42Å
278	C	98.1	Very high	96.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	23%	0.226	C	C	.	.			trans	-136.2	108.7	161.6	-168.3	0	0	0	0	107.8	Y288 F307 C320	C278-Y288 PolarHBondContact O-N 2.03Å; C278-F307 HydrophobicContact CB-CB 4.02Å; C278-F307 HydrophobicContact CB-CD1 3.88Å; C278-F307 HydrophobicContact CB-CD2 3.54Å; C278-F307 HydrophobicContact CB-CE1 4.2Å; C278-F307 HydrophobicContact CB-CE2 3.92Å; C278-F307 HydrophobicContact CB-CG 3.53Å; C278-F307 HydrophobicContact CB-CZ 4.23Å; C278-F307 VanDerWaalsContact SG-CD2 3.58Å; C278-C320 WeakPolarHBondContact CA-SG 3.46Å; C278-C320 HydrophobicContact CB-CB 3.77Å; C278-C320 WeakPolarHBondContact CB-SG 3.44Å; C278-C320 WeakPolarHBondContact SG-CB 3.13Å; C278-C320 CovalentContact SG-SG 2.05Å; C278-C320 PolarHBondContact SG-SG 3.2Å
279	S	97	Very high	96.2	Very high	11 Å²	11	44.8 Å²	44.8	8%	0.077	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.9	-174	50.7	0	0	0	0	112.2	N277 F286 P393	N277-S279 PolarHBondContact ND2-OG 2.77Å; N277-S279 PolarHBondContact OD1-OG 2.99Å; S279-F286 CarbonylContact C-O 3.53Å; S279-F286 WeakPolarHBondContact CA-O 3.22Å; S279-F286 WeakPolarHBondContact CB-O 3.3Å; S279-P393 WeakPolarHBondContact O-CD 3.48Å
280	R	94.9	Very high	96.3	Very high	106 Å²	106	45.7 Å²	45.7	40%	0.4	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.7	166.7	-70.6	166.6	70	172.3	4.3	108.9	P285 F286 Y288 M396	R280-P285 WeakPolarHBondContact O-CA 3.2Å; R280-F286 HydrophobicContact CB-CB 4.3Å; R280-F286 PolarHBondContact N-O 3.06Å; R280-F286 PolarHBondContact O-N 2.89Å; R280-F286 VanDerWaalsContact O-N 3.08Å; R280-Y288 WeakPolarHBondContact CD-OH 3.47Å; R280-Y288 HydrophobicContact CG-CE2 4.05Å; R280-M396 WeakPolarHBondContact CD-SD 3.47Å; R280-M396 HydrophobicContact CG-SD 3.39Å; R280-M396 WeakPolarHBondContact CG-SD 3.34Å
281	P	93.6	Very high	96.4	Very high	81 Å²	81	45.6 Å²	45.6	53%	0.526	24%	0.238	S	C	.	.			trans	-67.6	150.9	177.3	29.1	-33.9	0	0	0	110.9	V392	P281-V392 HydrophobicContact CG-CG2 3.74Å
282	G	91.4	Very high	96.4	Very high	51 Å²	51	48.2 Å²	48.2	53%	0.526	25%	0.251	S	S	.	.	S	Bend	trans	175.4	177	180	0	0	0	0	0	109.6	V284	G282-V284 PolarHBondContact O-N 2.81Å
283	E	91.5	Very high	96.4	Very high	207 Å²	207	48.8 Å²	48.8	97%	0.967	26%	0.255	S	S	*	.	S	Bend	trans	-55.1	-41.2	173.4	-68.2	-174.7	172.6	0	0	111.2
284	V	92.7	Very high	96.4	Very high	130 Å²	130	49.3 Å²	49.3	79%	0.788	26%	0.258	S	S	*	.	S	Bend	trans	-118.2	113.4	165.3	-178.3	0	0	0	0	107.6	G282	G282-V284 PolarHBondContact O-N 2.81Å
285	P	94.7	Very high	96.3	Very high	44 Å²	44	52.1 Å²	52.1	29%	0.286	27%	0.27	S	S	.	.			trans	-63.7	142.2	-178.7	-22.1	32.4	0	0	0	112.4	R280 Y287	R280-P285 WeakPolarHBondContact O-CA 3.2Å; P285-Y287 HydrophobicContact CB-CD2 4.48Å; P285-Y287 HydrophobicContact CB-CE1 4.42Å; P285-Y287 HydrophobicContact CB-CE2 3.81Å; P285-Y287 HydrophobicContact CG-CE2 4.42Å; P285-Y287 WeakPolarHBondContact O-CD2 3.3Å; P285-Y287 WeakPolarHBondContact O-CE2 3.28Å
286	F	95.4	Very high	96.3	Very high	101 Å²	101	51.5 Å²	51.5	44%	0.443	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.3	173.5	-178.1	-86.9	0	0	0	109.9	S279 R280 Y288 T309	S279-F286 CarbonylContact C-O 3.53Å; S279-F286 WeakPolarHBondContact CA-O 3.22Å; S279-F286 WeakPolarHBondContact CB-O 3.3Å; R280-F286 HydrophobicContact CB-CB 4.3Å; R280-F286 PolarHBondContact N-O 3.06Å; R280-F286 PolarHBondContact O-N 2.89Å; R280-F286 VanDerWaalsContact O-N 3.08Å; F286-Y288 HydrophobicContact CD1-CD2 4.31Å; F286-Y288 HydrophobicContact CD1-CE1 4.45Å; F286-Y288 AromaticContact CD1-CE2 3.75Å; F286-Y288 HydrophobicContact CD1-CE2 3.75Å; F286-Y288 AromaticContact CD1-CZ 3.83Å; F286-Y288 HydrophobicContact CE1-CD1 4.34Å; F286-Y288 HydrophobicContact CE1-CD2 4.48Å; F286-Y288 AromaticContact CE1-CE1 3.86Å; F286-Y288 HydrophobicContact CE1-CE1 3.86Å; F286-Y288 AromaticContact CE1-CE2 4Å; F286-Y288 HydrophobicContact CE1-CE2 4Å; F286-Y288 AromaticContact CE1-CZ 3.66Å; F286-T309 HydrophobicContact CE1-CG2 3.79Å; F286-T309 HydrophobicContact CZ-CG2 3.61Å
287	Y	95.9	Very high	96.2	Very high	91 Å²	91	51.6 Å²	51.6	36%	0.357	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.8	-172.7	-64.9	-85.8	0	0	0	113.5	N277 P285	N277-Y287 WeakPolarHBondContact OD1-CE1 3.44Å; P285-Y287 HydrophobicContact CB-CD2 4.48Å; P285-Y287 HydrophobicContact CB-CE1 4.42Å; P285-Y287 HydrophobicContact CB-CE2 3.81Å; P285-Y287 HydrophobicContact CG-CE2 4.42Å; P285-Y287 WeakPolarHBondContact O-CD2 3.3Å; P285-Y287 WeakPolarHBondContact O-CE2 3.28Å
288	Y	97.6	Very high	96	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	29%	0.287	C	S	.	.			trans	-98.5	93.2	165.2	-56.9	-97.8	0	0	0	107.6	C278 R280 F286 F307 T308 T309 A316 A318	C278-Y288 PolarHBondContact O-N 2.03Å; R280-Y288 WeakPolarHBondContact CD-OH 3.47Å; R280-Y288 HydrophobicContact CG-CE2 4.05Å; F286-Y288 HydrophobicContact CD1-CD2 4.31Å; F286-Y288 HydrophobicContact CD1-CE1 4.45Å; F286-Y288 AromaticContact CD1-CE2 3.75Å; F286-Y288 HydrophobicContact CD1-CE2 3.75Å; F286-Y288 AromaticContact CD1-CZ 3.83Å; F286-Y288 HydrophobicContact CE1-CD1 4.34Å; F286-Y288 HydrophobicContact CE1-CD2 4.48Å; F286-Y288 AromaticContact CE1-CE1 3.86Å; F286-Y288 HydrophobicContact CE1-CE1 3.86Å; F286-Y288 AromaticContact CE1-CE2 4Å; F286-Y288 HydrophobicContact CE1-CE2 4Å; F286-Y288 AromaticContact CE1-CZ 3.66Å; Y288-F307 VanDerWaalsContact CB-CB 3.46Å; Y288-F307 WeakPolarHBondContact O-CB 3.18Å; Y288-F307 WeakPolarHBondContact O-CD1 3.46Å; Y288-T308 CarbonylContact C-O 3.56Å; Y288-T309 HydrophobicContact CD1-CG2 4.21Å; Y288-T309 HydrophobicContact CE1-CG2 4.41Å; Y288-A316 HydrophobicContact CE1-CB 3.75Å; Y288-A318 HydrophobicContact CD1-CB 3.77Å; Y288-A318 HydrophobicContact CD2-CB 3.59Å; Y288-A318 HydrophobicContact CE1-CB 3.87Å; Y288-A318 HydrophobicContact CE2-CB 3.72Å; Y288-A318 HydrophobicContact CG-CB 3.63Å
289	N	96.9	Very high	95.8	Very high	36 Å²	36	61 Å²	61	19%	0.193	32%	0.319	C	S	.	.			trans	-87.9	-15.7	-168.5	-79.9	-31.4	0	0	0	114.3	V246 S248 T308	V246-N289 VanDerWaalsContact O-CB 3.31Å; V246-N289 WeakPolarHBondContact O-CB 3.04Å; S248-N289 PolarHBondContact N-O 2.96Å; S248-N289 PolarHBondContact OG-O 3.29Å; N289-T308 PolarHBondContact N-O 2.82Å
290	E	97.8	Very high	95.7	Very high	22 Å²	22	64.5 Å²	64.5	10%	0.103	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	89.6	-169	-61.5	-108.8	-164.3	0	0	111.2	R234 V246 Q292 T308 N310	R234-E290 WeakPolarHBondContact CD-OE2 3.48Å; R234-E290 IonicContact NE-OE2 2.65Å; R234-E290 PolarHBondContact NE-OE2 3.15Å; V246-E290 HydrophobicContact CG1-CG 4.46Å; E290-Q292 PolarHBondContact O-N 3.13Å; E290-Q292 PolarHBondContact O-NE2 2.95Å; E290-T308 WeakPolarHBondContact CB-O 3.01Å; E290-T308 PolarHBondContact N-O 3.26Å; E290-T308 PolarHBondContact O-N 3.24Å; E290-T308 PolarHBondContact O-OG1 3.45Å; E290-N310 PolarHBondContact OE1-ND2 3.09Å
291	L	98.6	Very high	95.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	126.9	173.7	-179.2	75.5	0	0	0	111.4	V220 F232 R234 S248 T294 I306 F307	V220-L291 HydrophobicContact CB-CD2 4.11Å; V220-L291 HydrophobicContact CB-CG 4.48Å; V220-L291 HydrophobicContact CG1-CD2 4.24Å; V220-L291 HydrophobicContact CG1-CG 4.3Å; V220-L291 HydrophobicContact CG2-CD2 4.01Å; V220-L291 HydrophobicContact CG2-CG 4.09Å; V220-L291 WeakPolarHBondContact CG2-O 3.03Å; F232-L291 HydrophobicContact CB-CD2 3.83Å; R234-L291 WeakPolarHBondContact CD-O 3.43Å; R234-L291 PolarHBondContact NH1-O 2.83Å; S248-L291 WeakPolarHBondContact OG-CB 3.39Å; S248-L291 PolarHBondContact OG-N 3.4Å; L291-T294 HydrophobicContact CD1-CG2 3.79Å; L291-T294 HydrophobicContact CD2-CG2 3.99Å; L291-T294 HydrophobicContact CG-CG2 4.32Å; L291-I306 CarbonylContact C-O 3.52Å; L291-I306 WeakPolarHBondContact CA-O 3.17Å; L291-I306 WeakPolarHBondContact CD1-O 3.29Å; L291-F307 HydrophobicContact CB-CD1 4.13Å; L291-F307 HydrophobicContact CB-CE1 4.03Å; L291-F307 HydrophobicContact CD1-CD1 4.19Å; L291-F307 HydrophobicContact CD1-CD2 4.31Å; L291-F307 HydrophobicContact CD1-CE1 3.75Å; L291-F307 HydrophobicContact CD1-CE2 3.85Å; L291-F307 HydrophobicContact CD1-CG 4.45Å; L291-F307 HydrophobicContact CD1-CZ 3.56Å; L291-F307 HydrophobicContact CG-CE1 4.48Å
292	Q	97.6	Very high	95.9	Very high	58 Å²	58	60.4 Å²	60.4	27%	0.271	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-39.3	-178.3	-59.8	-53.3	-55.3	0	0	113.6	V220 E290 I306 T308	V220-Q292 WeakPolarHBondContact CG1-O 3.22Å; E290-Q292 PolarHBondContact O-N 3.13Å; E290-Q292 PolarHBondContact O-NE2 2.95Å; Q292-I306 HydrophobicContact CB-CB 4.43Å; Q292-I306 HydrophobicContact CB-CG2 4.1Å; Q292-I306 HydrophobicContact CG-CG2 4.43Å; Q292-I306 PolarHBondContact N-O 3.19Å; Q292-T308 HydrophobicContact CG-CG2 3.62Å; Q292-T308 PolarHBondContact NE2-OG1 3.06Å
293	S	97.4	Very high	96.3	Very high	15 Å²	15	58 Å²	58	11%	0.105	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	153.1	-177.4	175.7	0	0	0	0	109.7	G305 I306 S403 V405	S293-G305 WeakPolarHBondContact O-CA 3.44Å; S293-I306 PolarHBondContact O-N 3.2Å; S293-S403 WeakPolarHBondContact CB-O 3.36Å; S293-V405 PolarHBondContact OG-N 3.17Å
294	T	98.4	Very high	96.6	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157.5	168.4	63.7	0	0	0	0	110.9	V220 S221 Y223 F232 L291 I303 Y304	V220-T294 HydrophobicContact CG1-CG2 4.49Å; S221-T294 VanDerWaalsContact CB-OG1 3.28Å; S221-T294 WeakPolarHBondContact CB-OG1 3.27Å; S221-T294 PolarHBondContact OG-OG1 3.06Å; Y223-T294 WeakPolarHBondContact CE2-OG1 3.44Å; Y223-T294 PolarHBondContact OH-O 3.01Å; Y223-T294 PolarHBondContact OH-OG1 2.88Å; F232-T294 HydrophobicContact CB-CG2 4.09Å; F232-T294 HydrophobicContact CD1-CG2 4.2Å; F232-T294 HydrophobicContact CG-CG2 4.13Å; L291-T294 HydrophobicContact CD1-CG2 3.79Å; L291-T294 HydrophobicContact CD2-CG2 3.99Å; L291-T294 HydrophobicContact CG-CG2 4.32Å; T294-I303 HydrophobicContact CG2-CG2 4.3Å; T294-Y304 CarbonylContact C-O 3.36Å; T294-Y304 WeakPolarHBondContact CA-O 3.12Å; T294-Y304 VanDerWaalsContact CB-O 3.29Å; T294-Y304 WeakPolarHBondContact CB-O 3.29Å
295	F	98	Very high	96.8	Very high	59 Å²	59	42 Å²	42	26%	0.259	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.8	169.6	-175.1	-88.1	0	0	0	108.9	Y223 L297 Y304 V405 A406 V407	Y223-F295 WeakPolarHBondContact OH-CA 3.44Å; Y223-F295 PolarHBondContact OH-N 2.9Å; F295-L297 HydrophobicContact CE1-CB 4.43Å; F295-L297 HydrophobicContact CE1-CD1 4.33Å; F295-Y304 PolarHBondContact N-O 2.81Å; F295-Y304 PolarHBondContact O-N 3.47Å; F295-V405 HydrophobicContact CB-CG1 3.96Å; F295-V405 HydrophobicContact CB-CG2 4.39Å; F295-A406 HydrophobicContact CD2-CB 4.44Å; F295-A406 HydrophobicContact CE2-CB 4.42Å; F295-V407 HydrophobicContact CB-CG2 4.44Å; F295-V407 HydrophobicContact CD1-CB 3.71Å; F295-V407 HydrophobicContact CD1-CG2 3.92Å; F295-V407 HydrophobicContact CE1-CB 3.82Å; F295-V407 WeakPolarHBondContact CE1-O 3.27Å; F295-V407 HydrophobicContact CG-CB 4.44Å; F295-V407 HydrophobicContact CG-CG2 4.32Å; F295-V407 VanDerWaalsContact CZ-O 3.3Å; F295-V407 WeakPolarHBondContact CZ-O 3.47Å
296	F	97.8	Very high	97	Very high	31 Å²	31	39.9 Å²	39.9	14%	0.136	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.6	175.4	176.1	-128.4	0	0	0	109	Y223 I225 P298 L302 I303	Y223-F296 HydrophobicContact CD1-CB 3.66Å; Y223-F296 HydrophobicContact CD1-CD1 4.37Å; Y223-F296 HydrophobicContact CD1-CG 4.39Å; Y223-F296 HydrophobicContact CD2-CB 4.23Å; Y223-F296 HydrophobicContact CE1-CB 3.52Å; Y223-F296 HydrophobicContact CE2-CB 4.11Å; Y223-F296 HydrophobicContact CG-CB 4.02Å; Y223-F296 PolarHBondContact OH-N 2.95Å; I225-F296 HydrophobicContact CD1-CD1 4.06Å; I225-F296 HydrophobicContact CD1-CD2 4.21Å; I225-F296 HydrophobicContact CD1-CE1 3.82Å; I225-F296 HydrophobicContact CD1-CE2 3.98Å; I225-F296 HydrophobicContact CD1-CG 4.26Å; I225-F296 HydrophobicContact CD1-CZ 3.78Å; I225-F296 HydrophobicContact CG1-CD1 4.32Å; I225-F296 HydrophobicContact CG1-CE1 3.87Å; I225-F296 HydrophobicContact CG1-CZ 4.13Å; I225-F296 HydrophobicContact CG2-CZ 4.29Å; F296-P298 HydrophobicContact CD1-CG 3.89Å; F296-P298 HydrophobicContact CE1-CB 3.89Å; F296-P298 HydrophobicContact CE1-CG 3.73Å; F296-P298 HydrophobicContact CZ-CB 4.18Å; F296-P298 HydrophobicContact CZ-CG 4.42Å; F296-P298 WeakPolarHBondContact O-CD 3.5Å; F296-L302 WeakPolarHBondContact CD2-O 3.41Å; F296-I303 HydrophobicContact CD2-CG1 3.82Å
297	L	96.5	Very high	97.2	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	97.1	175.5	-176.6	69.7	0	0	0	108.3	F295 E299 L300 D301 L302 Y304 V409	F295-L297 HydrophobicContact CE1-CB 4.43Å; F295-L297 HydrophobicContact CE1-CD1 4.33Å; L297-E299 VanDerWaalsContact C-N 3.3Å; L297-E299 WeakPolarHBondContact CD1-OE2 3.35Å; L297-E299 PolarHBondContact O-N 3.08Å; L297-L300 HydrophobicContact CD2-CB 4.3Å; L297-L300 HydrophobicContact CD2-CD1 3.85Å; L297-L300 HydrophobicContact CD2-CG 4.27Å; L297-L300 PolarHBondContact O-N 3.36Å; L297-D301 PolarHBondContact O-N 2.83Å; L297-D301 VanDerWaalsContact O-N 3.17Å; L297-L302 HydrophobicContact CB-CB 4.38Å; L297-L302 PolarHBondContact N-O 2.89Å; L297-L302 PolarHBondContact O-N 2.92Å; L297-Y304 HydrophobicContact CB-CE2 4.31Å; L297-Y304 HydrophobicContact CD2-CE2 4.23Å; L297-V409 HydrophobicContact CD1-CG2 4.05Å; L297-V409 HydrophobicContact CD2-CG2 3.67Å; L297-V409 HydrophobicContact CG-CG2 4.49Å
298	P	94.7	Very high	97.2	Very high	72 Å²	72	31 Å²	31	47%	0.468	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-62.8	-32.6	-171.3	-22.6	33.4	0	0	0	114	F296 L300 D301	F296-P298 HydrophobicContact CD1-CG 3.89Å; F296-P298 HydrophobicContact CE1-CB 3.89Å; F296-P298 HydrophobicContact CE1-CG 3.73Å; F296-P298 HydrophobicContact CZ-CB 4.18Å; F296-P298 HydrophobicContact CZ-CG 4.42Å; F296-P298 WeakPolarHBondContact O-CD 3.5Å; P298-L300 PolarHBondContact O-N 3.42Å; P298-L300 VanDerWaalsContact O-N 3.16Å; P298-D301 PolarHBondContact O-N 2.97Å
299	E	93.3	Very high	97.1	Very high	146 Å²	146	31.3 Å²	31.3	68%	0.682	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-64.2	-24.4	-174.3	-61.2	72.7	-158.3	0	0	112.6	L297	L297-E299 VanDerWaalsContact C-N 3.3Å; L297-E299 WeakPolarHBondContact CD1-OE2 3.35Å; L297-E299 PolarHBondContact O-N 3.08Å
300	L	94.3	Very high	96.9	Very high	83 Å²	83	32.5 Å²	32.5	44%	0.435	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-123	3.6	-177.3	-61.2	178.4	0	0	0	113	L297 P298 L302 H418	L297-L300 HydrophobicContact CD2-CB 4.3Å; L297-L300 HydrophobicContact CD2-CD1 3.85Å; L297-L300 HydrophobicContact CD2-CG 4.27Å; L297-L300 PolarHBondContact O-N 3.36Å; P298-L300 PolarHBondContact O-N 3.42Å; P298-L300 VanDerWaalsContact O-N 3.16Å; L300-L302 HydrophobicContact CB-CD1 3.86Å; L300-L302 HydrophobicContact CB-CG 3.77Å; L300-L302 HydrophobicContact CD1-CD1 4.06Å; L300-L302 PolarHBondContact O-N 2.84Å; L300-H418 WeakPolarHBondContact CD1-CE1 3.48Å
301	D	96.6	Very high	96.5	Very high	82 Å²	82	36.3 Å²	36.3	44%	0.439	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	40.8	-173.9	-72.7	-41.3	0	0	0	113.4	L297 P298 L324	L297-D301 PolarHBondContact O-N 2.83Å; L297-D301 VanDerWaalsContact O-N 3.17Å; P298-D301 PolarHBondContact O-N 2.97Å; D301-L324 HydrophobicContact CB-CB 3.98Å; D301-L324 WeakPolarHBondContact O-CB 3.32Å; D301-L324 PolarHBondContact O-N 3.49Å
302	L	97.4	Very high	96	Very high	19 Å²	19	43.5 Å²	43.5	10%	0.099	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.6	-177.3	-65	-179.1	0	0	0	112.2	F296 L297 L300 Y304 V321 N323 V389	F296-L302 WeakPolarHBondContact CD2-O 3.41Å; L297-L302 HydrophobicContact CB-CB 4.38Å; L297-L302 PolarHBondContact N-O 2.89Å; L297-L302 PolarHBondContact O-N 2.92Å; L300-L302 HydrophobicContact CB-CD1 3.86Å; L300-L302 HydrophobicContact CB-CG 3.77Å; L300-L302 HydrophobicContact CD1-CD1 4.06Å; L300-L302 PolarHBondContact O-N 2.84Å; L302-Y304 HydrophobicContact CB-CE2 3.93Å; L302-Y304 HydrophobicContact CD1-CE2 4.33Å; L302-V321 HydrophobicContact CB-CG1 4.09Å; L302-V321 HydrophobicContact CD1-CG1 4.14Å; L302-V321 HydrophobicContact CD2-CG1 3.98Å; L302-V321 HydrophobicContact CG-CG1 4.3Å; L302-N323 WeakPolarHBondContact CD2-OD1 3.49Å; L302-V389 HydrophobicContact CD2-CG2 4.34Å
303	I	98.4	Very high	95.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.5	172.1	-58.1	-177.7	0	0	0	108.9	F232 T294 F296 V321 F322 L324 I327	F232-I303 HydrophobicContact CE1-CD1 3.94Å; F232-I303 HydrophobicContact CE1-CG2 4.15Å; F232-I303 HydrophobicContact CE2-CD1 3.9Å; F232-I303 HydrophobicContact CZ-CD1 3.23Å; F232-I303 HydrophobicContact CZ-CG2 4.29Å; T294-I303 HydrophobicContact CG2-CG2 4.3Å; F296-I303 HydrophobicContact CD2-CG1 3.82Å; I303-V321 CarbonylContact O-C 3.52Å; I303-V321 WeakPolarHBondContact O-CA 3.35Å; I303-F322 PolarHBondContact N-O 2.92Å; I303-F322 PolarHBondContact O-N 3.05Å; I303-L324 HydrophobicContact CD1-CD1 4.39Å; I303-I327 HydrophobicContact CD1-CD1 3.75Å
304	Y	98.4	Very high	95.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.8	169.6	-67.7	-103.9	0	0	0	108	T294 F295 L297 L302 V319 V321 V407 H418 I420	T294-Y304 CarbonylContact C-O 3.36Å; T294-Y304 WeakPolarHBondContact CA-O 3.12Å; T294-Y304 VanDerWaalsContact CB-O 3.29Å; T294-Y304 WeakPolarHBondContact CB-O 3.29Å; F295-Y304 PolarHBondContact N-O 2.81Å; F295-Y304 PolarHBondContact O-N 3.47Å; L297-Y304 HydrophobicContact CB-CE2 4.31Å; L297-Y304 HydrophobicContact CD2-CE2 4.23Å; L302-Y304 HydrophobicContact CB-CE2 3.93Å; L302-Y304 HydrophobicContact CD1-CE2 4.33Å; Y304-V319 HydrophobicContact CD1-CG1 4.3Å; Y304-V321 HydrophobicContact CD1-CG2 3.55Å; Y304-V321 HydrophobicContact CE1-CG1 4.3Å; Y304-V321 HydrophobicContact CE1-CG2 3.4Å; Y304-V321 HydrophobicContact CE2-CG1 4.22Å; Y304-V321 HydrophobicContact CG-CG2 4.26Å; Y304-V407 HydrophobicContact CD1-CG2 3.76Å; Y304-V407 HydrophobicContact CD2-CB 4.46Å; Y304-V407 HydrophobicContact CD2-CG2 3.85Å; Y304-V407 HydrophobicContact CE1-CG1 4.35Å; Y304-V407 HydrophobicContact CE1-CG2 4.18Å; Y304-V407 HydrophobicContact CE2-CG1 4.22Å; Y304-V407 HydrophobicContact CE2-CG2 4.29Å; Y304-V407 HydrophobicContact CG-CG2 3.62Å; Y304-H418 AromaticContact CZ-ND1 3.84Å; Y304-H418 PolarHBondContact OH-CE1 2.93Å; Y304-H418 PolarHBondContact OH-ND1 2.94Å; Y304-I420 HydrophobicContact CD1-CD1 4.14Å; Y304-I420 HydrophobicContact CE1-CD1 3.94Å; Y304-I420 HydrophobicContact CE1-CG1 4.31Å
305	G	98.3	Very high	95	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.8	175.7	0	0	0	0	0	111.3	S293 F307 V319 C320	S293-G305 WeakPolarHBondContact O-CA 3.44Å; G305-F307 VanDerWaalsContact O-CD2 3.31Å; G305-F307 WeakPolarHBondContact O-CD2 3.11Å; G305-F307 WeakPolarHBondContact O-CE2 3.49Å; G305-V319 WeakPolarHBondContact O-CA 3.44Å; G305-C320 PolarHBondContact N-O 3.46Å; G305-C320 PolarHBondContact O-N 3.14Å
306	I	98.1	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.7	167.4	-62.6	-178.6	0	0	0	108.5	L291 Q292 S293 T308 F402 H404 V405 L422	L291-I306 CarbonylContact C-O 3.52Å; L291-I306 WeakPolarHBondContact CA-O 3.17Å; L291-I306 WeakPolarHBondContact CD1-O 3.29Å; Q292-I306 HydrophobicContact CB-CB 4.43Å; Q292-I306 HydrophobicContact CB-CG2 4.1Å; Q292-I306 HydrophobicContact CG-CG2 4.43Å; Q292-I306 PolarHBondContact N-O 3.19Å; S293-I306 PolarHBondContact O-N 3.2Å; I306-T308 HydrophobicContact CG2-CG2 4.43Å; I306-F402 HydrophobicContact CD1-CB 3.77Å; I306-F402 HydrophobicContact CG2-CB 3.65Å; I306-H404 WeakPolarHBondContact CD1-O 3.46Å; I306-V405 HydrophobicContact CD1-CB 3.64Å; I306-V405 HydrophobicContact CD1-CG1 4.05Å; I306-V405 HydrophobicContact CG1-CB 3.81Å; I306-V405 HydrophobicContact CG1-CG1 3.9Å; I306-L422 HydrophobicContact CD1-CD2 3.8Å; I306-L422 HydrophobicContact CG1-CD2 4.08Å
307	F	98.3	Very high	94.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.4	174.3	-60.1	-103	0	0	0	109.8	L276 C278 Y288 L291 G305 S317 A318 C320 F322	L276-F307 HydrophobicContact CB-CE1 4.18Å; L276-F307 HydrophobicContact CB-CZ 4.19Å; L276-F307 HydrophobicContact CD1-CZ 4.27Å; C278-F307 HydrophobicContact CB-CB 4.02Å; C278-F307 HydrophobicContact CB-CD1 3.88Å; C278-F307 HydrophobicContact CB-CD2 3.54Å; C278-F307 HydrophobicContact CB-CE1 4.2Å; C278-F307 HydrophobicContact CB-CE2 3.92Å; C278-F307 HydrophobicContact CB-CG 3.53Å; C278-F307 HydrophobicContact CB-CZ 4.23Å; C278-F307 VanDerWaalsContact SG-CD2 3.58Å; Y288-F307 VanDerWaalsContact CB-CB 3.46Å; Y288-F307 WeakPolarHBondContact O-CB 3.18Å; Y288-F307 WeakPolarHBondContact O-CD1 3.46Å; L291-F307 HydrophobicContact CB-CD1 4.13Å; L291-F307 HydrophobicContact CB-CE1 4.03Å; L291-F307 HydrophobicContact CD1-CD1 4.19Å; L291-F307 HydrophobicContact CD1-CD2 4.31Å; L291-F307 HydrophobicContact CD1-CE1 3.75Å; L291-F307 HydrophobicContact CD1-CE2 3.85Å; L291-F307 HydrophobicContact CD1-CG 4.45Å; L291-F307 HydrophobicContact CD1-CZ 3.56Å; L291-F307 HydrophobicContact CG-CE1 4.48Å; G305-F307 VanDerWaalsContact O-CD2 3.31Å; G305-F307 WeakPolarHBondContact O-CD2 3.11Å; G305-F307 WeakPolarHBondContact O-CE2 3.49Å; F307-S317 CarbonylContact O-C 3.57Å; F307-S317 WeakPolarHBondContact O-CA 2.81Å; F307-A318 PolarHBondContact N-O 3.47Å; F307-A318 PolarHBondContact O-N 2.76Å; F307-C320 HydrophobicContact CD2-CB 4.2Å; F307-C320 HydrophobicContact CE2-CB 3.96Å; F307-F322 AromaticContact CE2-CE2 3.66Å; F307-F322 HydrophobicContact CE2-CE2 3.66Å; F307-F322 HydrophobicContact CE2-CZ 4.04Å; F307-F322 AromaticContact CZ-CE2 3.61Å; F307-F322 HydrophobicContact CZ-CE2 3.61Å; F307-F322 AromaticContact CZ-CZ 3.78Å; F307-F322 HydrophobicContact CZ-CZ 3.78Å
308	T	97.3	Very high	94.8	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	162.8	176.4	63.5	0	0	0	0	111.1	Y288 N289 E290 Q292 I306 A316	Y288-T308 CarbonylContact C-O 3.56Å; N289-T308 PolarHBondContact N-O 2.82Å; E290-T308 WeakPolarHBondContact CB-O 3.01Å; E290-T308 PolarHBondContact N-O 3.26Å; E290-T308 PolarHBondContact O-N 3.24Å; E290-T308 PolarHBondContact O-OG1 3.45Å; Q292-T308 HydrophobicContact CG-CG2 3.62Å; Q292-T308 PolarHBondContact NE2-OG1 3.06Å; I306-T308 HydrophobicContact CG2-CG2 4.43Å; T308-A316 WeakPolarHBondContact CA-O 3.27Å
309	T	95.7	Very high	94.9	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.049	24%	0.236	C	C	.	.			trans	-69.5	164.8	164.4	55.4	0	0	0	0	110.5	F286 Y288 I314 A316 R401	F286-T309 HydrophobicContact CE1-CG2 3.79Å; F286-T309 HydrophobicContact CZ-CG2 3.61Å; Y288-T309 HydrophobicContact CD1-CG2 4.21Å; Y288-T309 HydrophobicContact CE1-CG2 4.41Å; T309-I314 WeakPolarHBondContact CB-O 3.14Å; T309-I314 PolarHBondContact OG1-O 3.15Å; T309-A316 HydrophobicContact CG2-CB 3.94Å; T309-A316 PolarHBondContact N-O 2.97Å; T309-A316 VanDerWaalsContact N-O 3.09Å; T309-A316 PolarHBondContact OG1-N 3.01Å; T309-R401 PolarHBondContact O-NH1 2.82Å; T309-R401 PolarHBondContact OG1-NH2 3.08Å
310	N	92.6	Very high	95.1	Very high	61 Å²	61	35.8 Å²	35.8	33%	0.326	20%	0.203	S	C	.	.			trans	-57.2	145.8	174.2	-175.5	-88.7	0	0	0	111.4	E290 N312 S313 R401	E290-N310 PolarHBondContact OE1-ND2 3.09Å; N310-N312 PolarHBondContact O-N 3.4Å; N310-N312 VanDerWaalsContact O-N 3.14Å; N310-N312 WeakPolarHBondContact OD1-CB 3.13Å; N310-N312 PolarHBondContact OD1-N 3.45Å; N310-S313 WeakPolarHBondContact O-CB 3.3Å; N310-S313 PolarHBondContact O-N 3.05Å; N310-R401 PolarHBondContact O-NH2 3.41Å
311	V	88.3	Confident	95.3	Very high	102 Å²	102	32 Å²	32	62%	0.618	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.3	-177.3	-65.1	0	0	0	0	114.1
312	N	88.4	Confident	95.4	Very high	151 Å²	151	28.1 Å²	28.1	81%	0.807	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.6	178.8	-60	-44	0	0	0	113.4	N310	N310-N312 PolarHBondContact O-N 3.4Å; N310-N312 VanDerWaalsContact O-N 3.14Å; N310-N312 WeakPolarHBondContact OD1-CB 3.13Å; N310-N312 PolarHBondContact OD1-N 3.45Å
313	S	90.8	Very high	95.4	Very high	72 Å²	72	30 Å²	30	50%	0.503	17%	0.173	S	C	.	.	S	Bend	trans	-96.4	174.5	175.8	-59.2	0	0	0	0	111.3	N310 A315 R401	N310-S313 WeakPolarHBondContact O-CB 3.3Å; N310-S313 PolarHBondContact O-N 3.05Å; S313-A315 PolarHBondContact O-N 3.28Å; S313-R401 PolarHBondContact O-NH2 3.29Å
314	I	90.3	Very high	95.4	Very high	137 Å²	137	31 Å²	31	70%	0.703	18%	0.178	S	C	*	.			trans	-53	125.2	171.1	-59.7	173.6	0	0	0	108.5	T309 A316	T309-I314 WeakPolarHBondContact CB-O 3.14Å; T309-I314 PolarHBondContact OG1-O 3.15Å; I314-A316 PolarHBondContact O-N 3.07Å
315	A	92.4	Very high	95.3	Very high	26 Å²	26	34.9 Å²	34.9	22%	0.215	21%	0.205	C	C	.	.			trans	-61.9	123.7	179.7	0	0	0	0	0	109.5	S313 N399 R401	S313-A315 PolarHBondContact O-N 3.28Å; A315-N399 WeakPolarHBondContact O-CA 3.23Å; A315-N399 PolarHBondContact O-N 2.87Å; A315-R401 HydrophobicContact CB-CG 3.99Å
316	A	94	Very high	95.3	Very high	3 Å²	3	36 Å²	36	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	147.9	170.7	0	0	0	0	0	109.1	Y288 T308 T309 I314 E397 S400	Y288-A316 HydrophobicContact CE1-CB 3.75Å; T308-A316 WeakPolarHBondContact CA-O 3.27Å; T309-A316 HydrophobicContact CG2-CB 3.94Å; T309-A316 PolarHBondContact N-O 2.97Å; T309-A316 VanDerWaalsContact N-O 3.09Å; T309-A316 PolarHBondContact OG1-N 3.01Å; I314-A316 PolarHBondContact O-N 3.07Å; A316-E397 WeakPolarHBondContact CA-O 3.38Å; A316-S400 CarbonylContact C-O 3.59Å
317	S	95.9	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.7	179	-58.5	0	0	0	0	111.1	F307 M396 E397 S400 R401 F402	F307-S317 CarbonylContact O-C 3.57Å; F307-S317 WeakPolarHBondContact O-CA 2.81Å; S317-M396 WeakPolarHBondContact O-CA 3.48Å; S317-E397 PolarHBondContact N-O 2.86Å; S317-E397 PolarHBondContact O-N 3.21Å; S317-S400 PolarHBondContact N-O 2.65Å; S317-S400 PolarHBondContact OG-O 2.92Å; S317-R401 WeakPolarHBondContact OG-CA 3.31Å; S317-F402 PolarHBondContact OG-N 3.33Å
318	A	96.8	Very high	95.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.7	174.9	0	0	0	0	0	110.7	Y288 F307 P393 F395 M396	Y288-A318 HydrophobicContact CD1-CB 3.77Å; Y288-A318 HydrophobicContact CD2-CB 3.59Å; Y288-A318 HydrophobicContact CE1-CB 3.87Å; Y288-A318 HydrophobicContact CE2-CB 3.72Å; Y288-A318 HydrophobicContact CG-CB 3.63Å; F307-A318 PolarHBondContact N-O 3.47Å; F307-A318 PolarHBondContact O-N 2.76Å; A318-P393 HydrophobicContact CB-CB 3.85Å; A318-P393 HydrophobicContact CB-CG 4.01Å; A318-F395 CarbonylContact C-O 3.57Å; A318-F395 VanDerWaalsContact CA-O 3.3Å; A318-F395 WeakPolarHBondContact CA-O 3.22Å; A318-M396 HydrophobicContact CB-CG 4.04Å
319	V	97.8	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.3	171.4	-176.6	0	0	0	0	108	Y304 G305 P393 S394 F395 I420 L422	Y304-V319 HydrophobicContact CD1-CG1 4.3Å; G305-V319 WeakPolarHBondContact O-CA 3.44Å; V319-P393 CarbonylContact O-C 3.45Å; V319-P393 WeakPolarHBondContact O-CB 3.49Å; V319-S394 PolarHBondContact O-N 3.4Å; V319-F395 HydrophobicContact CB-CB 4.14Å; V319-F395 HydrophobicContact CG2-CB 4.14Å; V319-F395 HydrophobicContact CG2-CD1 4.42Å; V319-F395 PolarHBondContact N-O 2.9Å; V319-I420 HydrophobicContact CG1-CD1 4.47Å; V319-L422 HydrophobicContact CG2-CD1 3.85Å; V319-L422 HydrophobicContact CG2-CD2 3.71Å; V319-L422 HydrophobicContact CG2-CG 4.44Å
320	C	98.1	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.8	174	-77.4	0	0	0	0	109.8	C278 G305 F307 F322 P388	C278-C320 WeakPolarHBondContact CA-SG 3.46Å; C278-C320 HydrophobicContact CB-CB 3.77Å; C278-C320 WeakPolarHBondContact CB-SG 3.44Å; C278-C320 WeakPolarHBondContact SG-CB 3.13Å; C278-C320 CovalentContact SG-SG 2.05Å; C278-C320 PolarHBondContact SG-SG 3.2Å; G305-C320 PolarHBondContact N-O 3.46Å; G305-C320 PolarHBondContact O-N 3.14Å; F307-C320 HydrophobicContact CD2-CB 4.2Å; F307-C320 HydrophobicContact CE2-CB 3.96Å; C320-F322 HydrophobicContact CB-CE2 3.84Å; C320-F322 HydrophobicContact CB-CZ 3.85Å; C320-P388 HydrophobicContact CB-CB 4.12Å
321	V	98.2	Very high	95.4	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.5	179.9	-173.2	0	0	0	0	108.7	L302 I303 Y304 P388 V389 S394	L302-V321 HydrophobicContact CB-CG1 4.09Å; L302-V321 HydrophobicContact CD1-CG1 4.14Å; L302-V321 HydrophobicContact CD2-CG1 3.98Å; L302-V321 HydrophobicContact CG-CG1 4.3Å; I303-V321 CarbonylContact O-C 3.52Å; I303-V321 WeakPolarHBondContact O-CA 3.35Å; Y304-V321 HydrophobicContact CD1-CG2 3.55Å; Y304-V321 HydrophobicContact CE1-CG1 4.3Å; Y304-V321 HydrophobicContact CE1-CG2 3.4Å; Y304-V321 HydrophobicContact CE2-CG1 4.22Å; Y304-V321 HydrophobicContact CG-CG2 4.26Å; V321-P388 CarbonylContact O-C 3.59Å; V321-P388 WeakPolarHBondContact O-CA 3.35Å; V321-P388 WeakPolarHBondContact O-CB 3.28Å; V321-V389 HydrophobicContact CB-CG2 4.43Å; V321-V389 HydrophobicContact CG1-CG2 4.22Å; V321-V389 WeakPolarHBondContact O-CG2 3.31Å; V321-V389 PolarHBondContact O-N 3.23Å; V321-S394 WeakPolarHBondContact CG2-OG 3.39Å
322	F	98.4	Very high	95.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.6	179.7	-56.4	-87.2	0	0	0	110.3	L276 N277 I303 F307 C320 I327 V386 P388	L276-F322 HydrophobicContact CB-CE1 4.41Å; L276-F322 HydrophobicContact CB-CZ 4.14Å; L276-F322 HydrophobicContact CD2-CD1 4.16Å; L276-F322 HydrophobicContact CD2-CD2 4.48Å; L276-F322 HydrophobicContact CD2-CE1 4.14Å; L276-F322 HydrophobicContact CD2-CE2 4.47Å; L276-F322 HydrophobicContact CD2-CG 4.33Å; L276-F322 HydrophobicContact CD2-CZ 4.3Å; N277-F322 VanDerWaalsContact O-CE1 3.27Å; N277-F322 WeakPolarHBondContact O-CE1 3.13Å; N277-F322 WeakPolarHBondContact O-CZ 3.37Å; I303-F322 PolarHBondContact N-O 2.92Å; I303-F322 PolarHBondContact O-N 3.05Å; F307-F322 AromaticContact CE2-CE2 3.66Å; F307-F322 HydrophobicContact CE2-CE2 3.66Å; F307-F322 HydrophobicContact CE2-CZ 4.04Å; F307-F322 AromaticContact CZ-CE2 3.61Å; F307-F322 HydrophobicContact CZ-CE2 3.61Å; F307-F322 AromaticContact CZ-CZ 3.78Å; F307-F322 HydrophobicContact CZ-CZ 3.78Å; C320-F322 HydrophobicContact CB-CE2 3.84Å; C320-F322 HydrophobicContact CB-CZ 3.85Å; F322-I327 HydrophobicContact CB-CD1 4.31Å; F322-V386 HydrophobicContact CD1-CG1 3.78Å; F322-V386 HydrophobicContact CE1-CG1 4.43Å; F322-P388 HydrophobicContact CD1-CB 4.25Å; F322-P388 HydrophobicContact CE1-CB 3.95Å; F322-P388 HydrophobicContact CE1-CG 4.47Å; F322-P388 HydrophobicContact CZ-CB 4.39Å
323	N	97.8	Very high	96.2	Very high	58 Å²	58	32.2 Å²	32.2	31%	0.31	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.1	166.7	-72.8	-26.1	0	0	0	109.5	L302 S325 A326 I327 V389	L302-N323 WeakPolarHBondContact CD2-OD1 3.49Å; N323-S325 WeakPolarHBondContact CB-OG 3.32Å; N323-S325 PolarHBondContact O-N 3.35Å; N323-A326 HydrophobicContact CB-CB 4.21Å; N323-A326 WeakPolarHBondContact O-CB 3.38Å; N323-A326 PolarHBondContact O-N 2.93Å; N323-I327 PolarHBondContact O-N 2.77Å; N323-V389 WeakPolarHBondContact OD1-CG2 3.22Å
324	L	97.2	Very high	96.5	Very high	22 Å²	22	30.5 Å²	30.5	12%	0.115	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-32.9	171.4	-170.7	66.9	0	0	0	111.7	I225 Y230 D301 I303 A326 I327 A328	I225-L324 HydrophobicContact CD1-CD1 4.22Å; I225-L324 HydrophobicContact CG2-CD2 3.63Å; Y230-L324 HydrophobicContact CE1-CD1 4.21Å; Y230-L324 HydrophobicContact CE2-CD1 4.21Å; D301-L324 HydrophobicContact CB-CB 3.98Å; D301-L324 WeakPolarHBondContact O-CB 3.32Å; D301-L324 PolarHBondContact O-N 3.49Å; I303-L324 HydrophobicContact CD1-CD1 4.39Å; L324-A326 PolarHBondContact O-N 2.87Å; L324-I327 WeakPolarHBondContact O-CB 3.44Å; L324-I327 PolarHBondContact O-N 2.87Å; L324-A328 PolarHBondContact O-N 3.17Å
325	S	96.8	Very high	96.9	Very high	82 Å²	82	24 Å²	24	57%	0.573	15%	0.152	S	C	*	.	H	α-helix	trans	-63.1	-37.6	174.8	61.7	0	0	0	0	113.2	N323 A328 Q329	N323-S325 WeakPolarHBondContact CB-OG 3.32Å; N323-S325 PolarHBondContact O-N 3.35Å; S325-A328 PolarHBondContact O-N 3.49Å; S325-Q329 WeakPolarHBondContact O-CB 3.46Å; S325-Q329 PolarHBondContact O-N 3.13Å
326	A	97.8	Very high	97.1	Very high	25 Å²	25	25 Å²	25	21%	0.207	15%	0.151	C	C	.	.	H	α-helix	trans	-68.2	-37.6	175.8	0	0	0	0	0	111.5	N323 L324 Q329 A330 V386	N323-A326 HydrophobicContact CB-CB 4.21Å; N323-A326 WeakPolarHBondContact O-CB 3.38Å; N323-A326 PolarHBondContact O-N 2.93Å; L324-A326 PolarHBondContact O-N 2.87Å; A326-Q329 PolarHBondContact O-N 2.85Å; A326-A330 PolarHBondContact O-N 2.76Å; A326-V386 HydrophobicContact CB-CG1 4.42Å
327	I	97.8	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-47.6	172.3	-65.7	170.6	0	0	0	110.1	Y230 F232 A250 I303 F322 N323 L324 Q329 A330 F331 V386	Y230-I327 HydrophobicContact CD1-CG2 4.46Å; Y230-I327 HydrophobicContact CE1-CG2 3.99Å; F232-I327 HydrophobicContact CE1-CD1 4.25Å; F232-I327 HydrophobicContact CZ-CD1 4.23Å; A250-I327 HydrophobicContact CB-CG2 4.33Å; I303-I327 HydrophobicContact CD1-CD1 3.75Å; F322-I327 HydrophobicContact CB-CD1 4.31Å; N323-I327 PolarHBondContact O-N 2.77Å; L324-I327 WeakPolarHBondContact O-CB 3.44Å; L324-I327 PolarHBondContact O-N 2.87Å; I327-Q329 VanDerWaalsContact C-N 3.34Å; I327-Q329 PolarHBondContact O-N 3.29Å; I327-A330 PolarHBondContact O-N 2.92Å; I327-F331 HydrophobicContact CG2-CD2 3.87Å; I327-F331 HydrophobicContact CG2-CE2 3.39Å; I327-F331 HydrophobicContact CG2-CZ 4.38Å; I327-F331 WeakPolarHBondContact O-CD2 3.37Å; I327-F331 PolarHBondContact O-N 2.86Å; I327-V386 HydrophobicContact CG1-CG1 3.66Å; I327-V386 HydrophobicContact CG1-CG2 4.34Å
328	A	95.9	Very high	97	Very high	32 Å²	32	28.9 Å²	28.9	26%	0.264	17%	0.166	S	C	.	.	H	α-helix	trans	-60.8	-42.1	177.4	0	0	0	0	0	112.1	L324 S325 A330 F331 S332	L324-A328 PolarHBondContact O-N 3.17Å; S325-A328 PolarHBondContact O-N 3.49Å; A328-A330 VanDerWaalsContact C-N 3.34Å; A328-A330 PolarHBondContact O-N 3.3Å; A328-F331 PolarHBondContact O-N 2.8Å; A328-F331 VanDerWaalsContact O-N 3.15Å; A328-S332 PolarHBondContact O-N 2.94Å
329	Q	96.6	Very high	96.7	Very high	147 Å²	147	35.7 Å²	35.7	69%	0.687	20%	0.198	S	C	*	.	H	α-helix	trans	-60.7	-42	176.4	-175	-179.1	4.9	0	0	111.9	S325 A326 I327 F331 S332 G333	S325-Q329 WeakPolarHBondContact O-CB 3.46Å; S325-Q329 PolarHBondContact O-N 3.13Å; A326-Q329 PolarHBondContact O-N 2.85Å; I327-Q329 VanDerWaalsContact C-N 3.34Å; I327-Q329 PolarHBondContact O-N 3.29Å; Q329-F331 VanDerWaalsContact C-N 3.29Å; Q329-F331 PolarHBondContact O-N 3.19Å; Q329-S332 CarbonylContact O-C 3.58Å; Q329-S332 WeakPolarHBondContact O-CB 3.48Å; Q329-S332 PolarHBondContact O-N 2.87Å; Q329-S332 VanDerWaalsContact O-N 3.09Å; Q329-G333 PolarHBondContact O-N 2.83Å
330	A	97.4	Very high	96.3	Very high	7 Å²	7	39.1 Å²	39.1	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-38.1	175.7	0	0	0	0	0	112	A274 A326 I327 A328 S332 G333 M382 E384 V386	A274-A330 HydrophobicContact CB-CB 4.26Å; A326-A330 PolarHBondContact O-N 2.76Å; I327-A330 PolarHBondContact O-N 2.92Å; A328-A330 VanDerWaalsContact C-N 3.34Å; A328-A330 PolarHBondContact O-N 3.3Å; A330-S332 VanDerWaalsContact C-N 3.29Å; A330-S332 PolarHBondContact O-N 3.47Å; A330-G333 PolarHBondContact O-N 2.91Å; A330-G333 VanDerWaalsContact O-N 3.14Å; A330-M382 WeakPolarHBondContact O-CE 3.17Å; A330-E384 HydrophobicContact CB-CB 4.46Å; A330-V386 HydrophobicContact CB-CG2 3.67Å
331	F	97	Very high	95.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-71.8	-19.7	174.8	-68.4	-58.3	0	0	0	114.5	Y230 R252 M272 A274 I327 A328 Q329 N350 M382	Y230-F331 HydrophobicContact CE1-CE2 4.12Å; R252-F331 HydrophobicContact CB-CE2 4.29Å; R252-F331 HydrophobicContact CB-CZ 4.39Å; R252-F331 VanDerWaalsContact CD-CD2 3.49Å; R252-F331 HydrophobicContact CG-CD2 4.11Å; R252-F331 HydrophobicContact CG-CE1 4.27Å; R252-F331 HydrophobicContact CG-CE2 3.81Å; R252-F331 HydrophobicContact CG-CG 4.45Å; R252-F331 HydrophobicContact CG-CZ 3.91Å; M272-F331 HydrophobicContact CB-CD1 3.75Å; M272-F331 HydrophobicContact CB-CE1 3.81Å; M272-F331 WeakPolarHBondContact O-CE1 3.29Å; A274-F331 HydrophobicContact CB-CE1 4.12Å; A274-F331 HydrophobicContact CB-CZ 4.4Å; I327-F331 HydrophobicContact CG2-CD2 3.87Å; I327-F331 HydrophobicContact CG2-CE2 3.39Å; I327-F331 HydrophobicContact CG2-CZ 4.38Å; I327-F331 WeakPolarHBondContact O-CD2 3.37Å; I327-F331 PolarHBondContact O-N 2.86Å; A328-F331 PolarHBondContact O-N 2.8Å; A328-F331 VanDerWaalsContact O-N 3.15Å; Q329-F331 VanDerWaalsContact C-N 3.29Å; Q329-F331 PolarHBondContact O-N 3.19Å; F331-N350 PolarHBondContact O-ND2 3.02Å; F331-M382 HydrophobicContact CD1-CG 3.69Å; F331-M382 HydrophobicContact CD1-SD 4.07Å; F331-M382 HydrophobicContact CE1-CG 4.16Å
332	S	96.3	Very high	95.2	Very high	45 Å²	45	55.4 Å²	55.4	32%	0.315	30%	0.295	S	S	.	.	H	α-helix	trans	-84.1	-13.9	169.4	-71.7	0	0	0	0	113.1	A328 Q329 A330 N350 P353	A328-S332 PolarHBondContact O-N 2.94Å; Q329-S332 CarbonylContact O-C 3.58Å; Q329-S332 WeakPolarHBondContact O-CB 3.48Å; Q329-S332 PolarHBondContact O-N 2.87Å; Q329-S332 VanDerWaalsContact O-N 3.09Å; A330-S332 VanDerWaalsContact C-N 3.29Å; A330-S332 PolarHBondContact O-N 3.47Å; S332-N350 PolarHBondContact O-ND2 2.97Å; S332-P353 VanDerWaalsContact CA-O 3.31Å; S332-P353 WeakPolarHBondContact CA-O 3.4Å; S332-P353 WeakPolarHBondContact CB-O 3.41Å; S332-P353 WeakPolarHBondContact O-CB 3.5Å; S332-P353 PolarHBondContact OG-O 3.07Å
333	G	97.3	Very high	94.9	Very high	14 Å²	14	56.9 Å²	56.9	14%	0.144	31%	0.305	C	S	.	.	S	Bend	trans	-76	-179.4	-180	0	0	0	0	0	114.2	Q329 A330 N350 M382	Q329-G333 PolarHBondContact O-N 2.83Å; A330-G333 PolarHBondContact O-N 2.91Å; A330-G333 VanDerWaalsContact O-N 3.14Å; G333-N350 VanDerWaalsContact O-CB 3.31Å; G333-N350 WeakPolarHBondContact O-CB 3.41Å; G333-N350 PolarHBondContact O-ND2 2.91Å; G333-M382 WeakPolarHBondContact O-CE 3.33Å
334	P	97.9	Very high	94.7	Very high	36 Å²	36	56.8 Å²	56.8	23%	0.234	31%	0.313	C	S	.	.			trans	-62.5	151.7	176.7	23.9	-32.9	0	0	0	112.8	Y348 H383 E384	P334-Y348 CarbonylContact C-O 3.52Å; P334-Y348 WeakPolarHBondContact CA-O 2.9Å; P334-Y348 VanDerWaalsContact CB-O 3.28Å; P334-Y348 WeakPolarHBondContact CB-O 3.48Å; P334-H383 HydrophobicContact CB-CB 4.37Å; P334-H383 HydrophobicContact CG-CB 4.17Å; P334-H383 WeakPolarHBondContact O-CB 3.33Å; P334-H383 PolarHBondContact O-N 3.3Å; P334-E384 HydrophobicContact CG-CG 4.22Å
335	F	97.9	Very high	94.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.3	172.4	-72.1	-79	0	0	0	111.2	M272 P347 Y348 N350 F379 L381 M382	M272-F335 HydrophobicContact CG-CE1 4.18Å; M272-F335 HydrophobicContact CG-CZ 4.48Å; M272-F335 HydrophobicContact SD-CE1 4.13Å; M272-F335 HydrophobicContact SD-CZ 3.92Å; F335-P347 CarbonylContact O-C 3.58Å; F335-P347 WeakPolarHBondContact O-CA 3.15Å; F335-Y348 PolarHBondContact N-O 2.97Å; F335-Y348 PolarHBondContact O-N 3.13Å; F335-N350 HydrophobicContact CD2-CB 4.38Å; F335-N350 HydrophobicContact CE2-CB 4.29Å; F335-N350 WeakPolarHBondContact CE2-OD1 3.38Å; F335-F379 HydrophobicContact CB-CB 4.29Å; F335-F379 HydrophobicContact CB-CD1 3.78Å; F335-F379 HydrophobicContact CB-CG 4.32Å; F335-F379 HydrophobicContact CD1-CB 3.66Å; F335-F379 HydrophobicContact CD2-CB 3.67Å; F335-F379 HydrophobicContact CD2-CD1 4.16Å; F335-F379 AromaticContact CD2-CG 3.89Å; F335-F379 HydrophobicContact CD2-CG 3.89Å; F335-F379 HydrophobicContact CE1-CB 3.79Å; F335-F379 VanDerWaalsContact CE1-O 3.31Å; F335-F379 WeakPolarHBondContact CE1-O 3.44Å; F335-F379 HydrophobicContact CE2-CB 3.8Å; F335-F379 HydrophobicContact CE2-CG 4.34Å; F335-F379 HydrophobicContact CG-CB 3.6Å; F335-F379 AromaticContact CG-CD1 3.99Å; F335-F379 HydrophobicContact CG-CD1 3.99Å; F335-F379 HydrophobicContact CG-CG 4Å; F335-F379 HydrophobicContact CZ-CB 3.87Å; F335-L381 CarbonylContact C-O 3.57Å; F335-L381 WeakPolarHBondContact CA-O 3.37Å; F335-M382 HydrophobicContact CD1-CE 3.94Å; F335-M382 HydrophobicContact CD1-SD 3.57Å; F335-M382 VanDerWaalsContact CD1-SD 3.57Å; F335-M382 HydrophobicContact CE1-CE 3.87Å; F335-M382 HydrophobicContact CE1-SD 3.32Å; F335-M382 WeakPolarHBondContact CE1-SD 3.33Å; F335-M382 HydrophobicContact CG-CE 4.32Å; F335-M382 HydrophobicContact CZ-CE 4.18Å; F335-M382 HydrophobicContact CZ-SD 4.08Å
336	K	96.6	Very high	94.5	Very high	47 Å²	47	58.4 Å²	58.4	20%	0.204	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114	167	-151.7	171.6	-179.7	175.5	0	108.1	E239 W345 L381 H383	E239-K336 HydrophobicContact CB-CD 3.93Å; E239-K336 HydrophobicContact CG-CD 3.97Å; E239-K336 VanDerWaalsContact CG-NZ 3.35Å; K336-W345 HydrophobicContact CB-CE3 4.39Å; K336-W345 HydrophobicContact CD-CB 4.38Å; K336-W345 HydrophobicContact CG-CB 4.17Å; K336-W345 HydrophobicContact CG-CE3 4.04Å; K336-L381 HydrophobicContact CB-CD2 4.13Å; K336-L381 HydrophobicContact CB-CG 4.06Å; K336-L381 HydrophobicContact CD-CD2 4.28Å; K336-L381 PolarHBondContact N-O 3.18Å; K336-H383 HydrophobicContact CB-CB 4.19Å
337	Y	94.5	Very high	94.5	Very high	63 Å²	63	60.8 Å²	60.8	25%	0.247	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.5	-172.5	179.3	-110.1	0	0	0	111.7	E339 W345 L346 Y348 K378 F379	Y337-E339 HydrophobicContact CE1-CB 3.93Å; Y337-W345 WeakPolarHBondContact O-CA 3.5Å; Y337-L346 PolarHBondContact N-O 3.44Å; Y337-L346 PolarHBondContact O-N 3.21Å; Y337-Y348 HydrophobicContact CD1-CD2 4.46Å; Y337-K378 HydrophobicContact CE2-CB 4.35Å; Y337-F379 HydrophobicContact CD2-CD1 4.33Å; Y337-F379 AromaticContact CD2-CE1 3.9Å; Y337-F379 HydrophobicContact CD2-CE1 3.9Å; Y337-F379 HydrophobicContact CG-CE1 4.17Å
338	Q	93.5	Very high	94.4	Very high	21 Å²	21	65.9 Å²	65.9	10%	0.098	35%	0.346	C	S	.	.			trans	-133.9	115.7	173.5	-173.6	-166.6	44.1	0	0	108.4	K212 N340 S343 W345	K212-Q338 PolarHBondContact NZ-O 2.84Å; Q338-N340 VanDerWaalsContact CD-O 3.24Å; Q338-N340 WeakPolarHBondContact CG-O 3.2Å; Q338-N340 PolarHBondContact NE2-O 2.78Å; Q338-S343 WeakPolarHBondContact CG-O 3.38Å; Q338-S343 PolarHBondContact NE2-O 3.45Å; Q338-W345 HydrophobicContact CB-CD2 3.65Å; Q338-W345 HydrophobicContact CB-CE3 3.74Å; Q338-W345 HydrophobicContact CB-CG 4.21Å; Q338-W345 HydrophobicContact CB-CH2 4.18Å; Q338-W345 HydrophobicContact CB-CZ2 4.07Å; Q338-W345 HydrophobicContact CB-CZ3 4.01Å; Q338-W345 HydrophobicContact CG-CD2 4.38Å
339	E	89.5	Confident	94.5	Very high	143 Å²	143	69.1 Å²	69.1	67%	0.668	36%	0.364	S	S	*	.	S	Bend	trans	-64	-46.8	-176.3	-174.4	177.4	-165.2	0	0	112.6	Y337	Y337-E339 HydrophobicContact CE1-CB 3.93Å
340	N	89.5	Confident	94.4	Very high	73 Å²	73	63.2 Å²	63.2	39%	0.39	34%	0.337	S	S	.	.	S	Bend	trans	-147.8	170.2	175.8	64.2	67.5	0	0	0	110.2	Q338 R342 S343	Q338-N340 VanDerWaalsContact CD-O 3.24Å; Q338-N340 WeakPolarHBondContact CG-O 3.2Å; Q338-N340 PolarHBondContact NE2-O 2.78Å; N340-R342 PolarHBondContact O-N 3.01Å; N340-R342 WeakPolarHBondContact OD1-CA 3.3Å; N340-R342 WeakPolarHBondContact OD1-CB 3.35Å; N340-R342 PolarHBondContact OD1-N 3.14Å; N340-S343 PolarHBondContact ND2-OG 3Å; N340-S343 VanDerWaalsContact ND2-OG 3.09Å; N340-S343 PolarHBondContact O-N 2.89Å; N340-S343 PolarHBondContact OD1-N 3.19Å; N340-S343 PolarHBondContact OD1-OG 3.04Å
341	S	86.8	Confident	94.2	Very high	110 Å²	110	66 Å²	66	77%	0.769	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.2	-174.1	56	0	0	0	0	115.5
342	R	87.7	Confident	93.8	Very high	234 Å²	234	68.7 Å²	68.7	88%	0.883	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-12.7	178	-58.3	-178.7	-178.7	-178	0.2	112.9	N340	N340-R342 PolarHBondContact O-N 3.01Å; N340-R342 WeakPolarHBondContact OD1-CA 3.3Å; N340-R342 WeakPolarHBondContact OD1-CB 3.35Å; N340-R342 PolarHBondContact OD1-N 3.14Å
343	S	92.1	Very high	93.5	Very high	33 Å²	33	69 Å²	69	23%	0.231	37%	0.37	C	S	.	.	S	Bend	trans	-79.1	149.8	177.6	-62.5	0	0	0	0	110.8	Q338 N340	Q338-S343 WeakPolarHBondContact CG-O 3.38Å; Q338-S343 PolarHBondContact NE2-O 3.45Å; N340-S343 PolarHBondContact ND2-OG 3Å; N340-S343 VanDerWaalsContact ND2-OG 3.09Å; N340-S343 PolarHBondContact O-N 2.89Å; N340-S343 PolarHBondContact OD1-N 3.19Å; N340-S343 PolarHBondContact OD1-OG 3.04Å
344	A	92.7	Very high	92.9	Very high	57 Å²	57	75.4 Å²	75.4	47%	0.471	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-67.9	154.4	170	0	0	0	0	0	111.1	L346	A344-L346 PolarHBondContact O-N 3.14Å
345	W	94.2	Very high	92.5	Very high	29 Å²	29	74.1 Å²	74.1	11%	0.11	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-78.1	116.7	170.7	-70.7	87.1	0	0	0	110.7	K212 V238 E239 K336 Y337 Q338 L381	K212-W345 HydrophobicContact CD-CH2 4.28Å; K212-W345 HydrophobicContact CG-CH2 4.27Å; V238-W345 HydrophobicContact CB-CZ2 4.18Å; V238-W345 HydrophobicContact CG2-CH2 3.88Å; V238-W345 HydrophobicContact CG2-CZ2 3.73Å; V238-W345 PolarHBondContact O-NE1 3.44Å; V238-W345 VanDerWaalsContact O-NE1 3.13Å; E239-W345 HydrophobicContact CB-CD2 3.81Å; E239-W345 HydrophobicContact CB-CE3 4.22Å; E239-W345 HydrophobicContact CB-CG 3.97Å; K336-W345 HydrophobicContact CB-CE3 4.39Å; K336-W345 HydrophobicContact CD-CB 4.38Å; K336-W345 HydrophobicContact CG-CB 4.17Å; K336-W345 HydrophobicContact CG-CE3 4.04Å; Y337-W345 WeakPolarHBondContact O-CA 3.5Å; Q338-W345 HydrophobicContact CB-CD2 3.65Å; Q338-W345 HydrophobicContact CB-CE3 3.74Å; Q338-W345 HydrophobicContact CB-CG 4.21Å; Q338-W345 HydrophobicContact CB-CH2 4.18Å; Q338-W345 HydrophobicContact CB-CZ2 4.07Å; Q338-W345 HydrophobicContact CB-CZ3 4.01Å; Q338-W345 HydrophobicContact CG-CD2 4.38Å; W345-L381 HydrophobicContact CE3-CD2 4.47Å; W345-L381 HydrophobicContact CZ3-CD2 4.06Å
346	L	95.5	Very high	91.9	Very high	109 Å²	109	80 Å²	80	57%	0.571	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.9	-175.9	-63.9	176.9	0	0	0	111.6	Y337 A344	Y337-L346 PolarHBondContact N-O 3.44Å; Y337-L346 PolarHBondContact O-N 3.21Å; A344-L346 PolarHBondContact O-N 3.14Å
347	P	97.1	Very high	91.7	Very high	75 Å²	75	78.8 Å²	78.8	49%	0.487	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	138.2	170.2	27	-32.7	0	0	0	110.5	F335 H383	F335-P347 CarbonylContact O-C 3.58Å; F335-P347 WeakPolarHBondContact O-CA 3.15Å; P347-H383 HydrophobicContact CB-CB 4.48Å
348	Y	97.1	Very high	91.3	Very high	107 Å²	107	76.5 Å²	76.5	42%	0.42	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.4	173.9	-169	-86.6	0	0	0	109.4	P334 F335 Y337 N350 F379	P334-Y348 CarbonylContact C-O 3.52Å; P334-Y348 WeakPolarHBondContact CA-O 2.9Å; P334-Y348 VanDerWaalsContact CB-O 3.28Å; P334-Y348 WeakPolarHBondContact CB-O 3.48Å; F335-Y348 PolarHBondContact N-O 2.97Å; F335-Y348 PolarHBondContact O-N 3.13Å; Y337-Y348 HydrophobicContact CD1-CD2 4.46Å; Y348-N350 PolarHBondContact O-N 3.27Å; Y348-F379 HydrophobicContact CD1-CD1 4.31Å; Y348-F379 AromaticContact CD1-CE1 3.37Å; Y348-F379 HydrophobicContact CD1-CE1 3.37Å; Y348-F379 HydrophobicContact CD1-CE2 4.19Å; Y348-F379 AromaticContact CD1-CZ 3.31Å; Y348-F379 HydrophobicContact CD1-CZ 3.31Å; Y348-F379 HydrophobicContact CD2-CE1 4.42Å; Y348-F379 AromaticContact CE1-CE1 3.84Å; Y348-F379 HydrophobicContact CE1-CE1 3.84Å; Y348-F379 AromaticContact CE1-CE2 3.94Å; Y348-F379 HydrophobicContact CE1-CE2 3.94Å; Y348-F379 AromaticContact CE1-CZ 3.24Å; Y348-F379 HydrophobicContact CE1-CZ 3.24Å; Y348-F379 HydrophobicContact CE2-CZ 4.43Å; Y348-F379 AromaticContact CG-CE1 3.72Å; Y348-F379 HydrophobicContact CG-CE1 3.72Å; Y348-F379 AromaticContact CG-CZ 3.99Å; Y348-F379 HydrophobicContact CG-CZ 3.99Å; Y348-F379 AromaticContact CZ-CZ 3.84Å
349	P	96.6	Very high	90.8	Very high	99 Å²	99	77.9 Å²	77.9	64%	0.643	42%	0.416	S	S	*	.			trans	-54.4	138.2	-179.9	-25.7	34.5	0	0	0	112.3	P351	P349-P351 WeakPolarHBondContact O-CD 3.28Å
350	N	95.3	Very high	90.4	Very high	24 Å²	24	73 Å²	73	13%	0.128	40%	0.397	C	S	.	.			trans	-70.9	117	178.7	-168.1	-24.7	0	0	0	110.1	F331 S332 G333 F335 Y348 N352 P353	F331-N350 PolarHBondContact O-ND2 3.02Å; S332-N350 PolarHBondContact O-ND2 2.97Å; G333-N350 VanDerWaalsContact O-CB 3.31Å; G333-N350 WeakPolarHBondContact O-CB 3.41Å; G333-N350 PolarHBondContact O-ND2 2.91Å; F335-N350 HydrophobicContact CD2-CB 4.38Å; F335-N350 HydrophobicContact CE2-CB 4.29Å; F335-N350 WeakPolarHBondContact CE2-OD1 3.38Å; Y348-N350 PolarHBondContact O-N 3.27Å; N350-N352 PolarHBondContact O-N 3.18Å; N350-N352 WeakPolarHBondContact OD1-CA 3.41Å; N350-N352 PolarHBondContact OD1-N 2.98Å; N350-N352 PolarHBondContact OD1-O 3.4Å; N350-N352 VanDerWaalsContact OD1-O 3.09Å; N350-P353 HydrophobicContact CB-CB 4.38Å
351	P	93.1	Very high	90	Very high	65 Å²	65	76.2 Å²	76.2	42%	0.422	41%	0.414	S	S	.	.	S	Bend	trans	-67.1	-18.7	177.3	27.6	-35.3	0	0	0	112.9	P349 F379	P349-P351 WeakPolarHBondContact O-CD 3.28Å; P351-F379 HydrophobicContact CG-CD2 4.09Å; P351-F379 HydrophobicContact CG-CE2 4.22Å
352	N	89.7	Confident	89.4	Confident	59 Å²	59	78.9 Å²	78.9	32%	0.316	41%	0.414	S	S	.	.			trans	-142.8	79.4	176.5	-170.2	-7.2	0	0	0	111.3	N350 H354 F355	N350-N352 PolarHBondContact O-N 3.18Å; N350-N352 WeakPolarHBondContact OD1-CA 3.41Å; N350-N352 PolarHBondContact OD1-N 2.98Å; N350-N352 PolarHBondContact OD1-O 3.4Å; N350-N352 VanDerWaalsContact OD1-O 3.09Å; N352-H354 VanDerWaalsContact C-N 3.26Å; N352-H354 PolarHBondContact O-N 2.74Å; N352-F355 PolarHBondContact O-N 2.84Å; N352-F355 PolarHBondContact OD1-N 3.4Å
353	P	88.3	Confident	88.9	Confident	51 Å²	51	70.5 Å²	70.5	33%	0.331	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.2	-176.1	27.2	-33.8	0	0	0	113.5	S332 N350	S332-P353 VanDerWaalsContact CA-O 3.31Å; S332-P353 WeakPolarHBondContact CA-O 3.4Å; S332-P353 WeakPolarHBondContact CB-O 3.41Å; S332-P353 WeakPolarHBondContact O-CB 3.5Å; S332-P353 PolarHBondContact OG-O 3.07Å; N350-P353 HydrophobicContact CB-CB 4.38Å
354	H	86.3	Confident	87.9	Confident	149 Å²	149	75.5 Å²	75.5	69%	0.69	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	32.1	179.8	-59.8	-61.2	0	0	0	112.3	N352 Q356	N352-H354 VanDerWaalsContact C-N 3.26Å; N352-H354 PolarHBondContact O-N 2.74Å; H354-Q356 PolarHBondContact O-N 2.82Å; H354-Q356 VanDerWaalsContact O-N 3.15Å
355	F	87.8	Confident	87	Confident	8 Å²	8	79.2 Å²	79.2	4%	0.035	43%	0.426	C	S	.	.			trans	-54.1	121.4	-178.6	178.7	-99.2	0	0	0	111.8	F228 C254 T270 M272 N352	F228-F355 HydrophobicContact CE1-CE1 4.33Å; C254-F355 VanDerWaalsContact SG-CE1 3.57Å; T270-F355 HydrophobicContact CG2-CE1 4.06Å; T270-F355 HydrophobicContact CG2-CZ 3.5Å; M272-F355 HydrophobicContact CE-CD1 3.73Å; M272-F355 HydrophobicContact CE-CE1 4.12Å; N352-F355 PolarHBondContact O-N 2.84Å; N352-F355 PolarHBondContact OD1-N 3.4Å
356	Q	87.2	Confident	86.3	Confident	125 Å²	125	81.1 Å²	81.1	58%	0.584	44%	0.441	S	S	*	.			trans	-118.2	155.9	170.8	-65.6	-59.3	-30.6	0	0	109.3	H354 G358	H354-Q356 PolarHBondContact O-N 2.82Å; H354-Q356 VanDerWaalsContact O-N 3.15Å; Q356-G358 PolarHBondContact O-N 2.97Å
357	C	90.8	Very high	85.4	Confident	21 Å²	21	81 Å²	81	14%	0.142	44%	0.441	C	S	.	.			trans	-68.1	123.4	174.4	-60.2	0	0	0	0	110.2	N227 F228 C254 N256	N227-C357 HydrophobicContact CB-CB 4.08Å; N227-C357 PolarHBondContact O-SG 2.68Å; N227-C357 VanDerWaalsContact O-SG 3.33Å; F228-C357 WeakPolarHBondContact CE1-SG 3.31Å; F228-C357 WeakPolarHBondContact CZ-SG 3.28Å; C254-C357 WeakPolarHBondContact CA-SG 3.47Å; C254-C357 HydrophobicContact CB-CB 3.74Å; C254-C357 WeakPolarHBondContact CB-SG 3.47Å; C254-C357 WeakPolarHBondContact SG-CA 3.39Å; C254-C357 WeakPolarHBondContact SG-CB 3.46Å; C254-C357 CovalentContact SG-SG 2.04Å; C254-C357 PolarHBondContact SG-SG 3.47Å; N256-C357 WeakPolarHBondContact OD1-CB 3.03Å
358	G	86.6	Confident	84.6	Confident	15 Å²	15	79.1 Å²	79.1	16%	0.155	43%	0.427	C	S	.	.			trans	-157.8	162.9	-175.1	0	0	0	0	0	111.7	Q356 E370	Q356-G358 PolarHBondContact O-N 2.97Å; G358-E370 PolarHBondContact O-N 3.32Å
359	T	83.4	Confident	83.9	Confident	49 Å²	49	74.3 Å²	74.3	30%	0.301	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-124.1	150.3	175.1	49.5	0	0	0	0	109.7	D361 L368	T359-D361 PolarHBondContact O-N 3.09Å; T359-L368 CarbonylContact C-O 3.55Å; T359-L368 VanDerWaalsContact CA-O 3.24Å; T359-L368 WeakPolarHBondContact CA-O 2.98Å
360	V	81.4	Confident	83.4	Confident	42 Å²	42	75.2 Å²	75.2	26%	0.255	40%	0.404	S	S	.	.			trans	-72.8	123.6	178.6	179	0	0	0	0	109.9	Q362 Y365 V366 N367 L368 E370	V360-Q362 VanDerWaalsContact CG1-O 3.29Å; V360-Q362 WeakPolarHBondContact CG1-O 3.31Å; V360-Y365 WeakPolarHBondContact CB-O 3.02Å; V360-V366 WeakPolarHBondContact O-CA 3.28Å; V360-N367 PolarHBondContact O-N 2.04Å; V360-L368 PolarHBondContact N-O 2.83Å; V360-E370 HydrophobicContact CG2-CB 4.47Å
361	D	79.6	Confident	83	Confident	139 Å²	139	75.4 Å²	75.4	74%	0.743	40%	0.403	S	S	*	.			trans	-82.7	-21.1	-174.5	-64.8	-35.6	0	0	0	114.1	T359	T359-D361 PolarHBondContact O-N 3.09Å
362	Q	75.5	Confident	82.9	Confident	167 Å²	167	76.6 Å²	76.6	78%	0.78	41%	0.406	S	S	*	.	S	Bend	trans	-146.2	152.1	-172.8	-63	-176.7	3	0	0	113.6	V360	V360-Q362 VanDerWaalsContact CG1-O 3.29Å; V360-Q362 WeakPolarHBondContact CG1-O 3.31Å
363	G	77.8	Confident	83	Confident	57 Å²	57	75.6 Å²	75.6	59%	0.588	40%	0.4	S	S	*	.	S	Bend	trans	95.4	-165.8	173.2	0	0	0	0	0	114.8	Y365 V366	G363-Y365 PolarHBondContact O-N 3.29Å; G363-Y365 VanDerWaalsContact O-N 3.13Å; G363-V366 WeakPolarHBondContact O-CB 3.36Å; G363-V366 PolarHBondContact O-N 3.39Å
364	L	69.8	Low	83.2	Confident	138 Å²	138	77.8 Å²	77.8	72%	0.723	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.6	-173.4	-146.3	88.7	0	0	0	114.1	R261	R261-L364 PolarHBondContact NH1-O 2.87Å
365	Y	73.8	Confident	83.5	Confident	135 Å²	135	72.6 Å²	72.6	53%	0.529	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	18.9	-177.8	-58.7	-65.4	0	0	0	112.1	V360 G363 N367 L368	V360-Y365 WeakPolarHBondContact CB-O 3.02Å; G363-Y365 PolarHBondContact O-N 3.29Å; G363-Y365 VanDerWaalsContact O-N 3.13Å; Y365-N367 PolarHBondContact O-N 3.33Å; Y365-L368 HydrophobicContact CD1-CD1 3.58Å; Y365-L368 HydrophobicContact CG-CD1 4.19Å; Y365-L368 VanDerWaalsContact O-CB 3.22Å; Y365-L368 WeakPolarHBondContact O-CB 3.26Å; Y365-L368 WeakPolarHBondContact O-CG 3.44Å; Y365-L368 PolarHBondContact O-N 3.03Å
366	V	79	Confident	83.8	Confident	69 Å²	69	72.4 Å²	72.4	42%	0.418	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	140.4	177	66.8	0	0	0	0	111.1	V360 G363 L368	V360-V366 WeakPolarHBondContact O-CA 3.28Å; G363-V366 WeakPolarHBondContact O-CB 3.36Å; G363-V366 PolarHBondContact O-N 3.39Å; V366-L368 PolarHBondContact O-N 2.91Å; V366-L368 VanDerWaalsContact O-N 3.16Å
367	N	78.4	Confident	84	Confident	108 Å²	108	70.8 Å²	70.8	58%	0.578	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-8.5	-174.3	-53.9	-34.3	0	0	0	115.9	I258 V360 Y365	I258-N367 WeakPolarHBondContact CD1-O 3.33Å; I258-N367 WeakPolarHBondContact CG1-O 3.48Å; V360-N367 PolarHBondContact O-N 2.04Å; Y365-N367 PolarHBondContact O-N 3.33Å
368	L	78.9	Confident	84.1	Confident	34 Å²	34	74.4 Å²	74.4	18%	0.178	39%	0.389	C	S	.	.	S	Bend	trans	-68.2	152.8	171.5	-61.9	-168.4	0	0	0	111.3	I258 R261 T359 V360 Y365 V366 E370	I258-L368 HydrophobicContact CD1-CD2 3.69Å; I258-L368 HydrophobicContact CG1-CD2 4.24Å; R261-L368 HydrophobicContact CB-CD1 3.96Å; T359-L368 CarbonylContact C-O 3.55Å; T359-L368 VanDerWaalsContact CA-O 3.24Å; T359-L368 WeakPolarHBondContact CA-O 2.98Å; V360-L368 PolarHBondContact N-O 2.83Å; Y365-L368 HydrophobicContact CD1-CD1 3.58Å; Y365-L368 HydrophobicContact CG-CD1 4.19Å; Y365-L368 VanDerWaalsContact O-CB 3.22Å; Y365-L368 WeakPolarHBondContact O-CB 3.26Å; Y365-L368 WeakPolarHBondContact O-CG 3.44Å; Y365-L368 PolarHBondContact O-N 3.03Å; V366-L368 PolarHBondContact O-N 2.91Å; V366-L368 VanDerWaalsContact O-N 3.16Å; L368-E370 PolarHBondContact O-N 3.49Å
369	T	83.7	Confident	84.5	Confident	7 Å²	7	74 Å²	74	4%	0.043	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-61.7	135.2	175.1	-52.5	0	0	0	0	110.6	D257 I258 T270 R371	D257-T369 VanDerWaalsContact CA-OG1 3.31Å; D257-T369 WeakPolarHBondContact CA-OG1 3.41Å; D257-T369 PolarHBondContact OD1-OG1 3.24Å; I258-T369 PolarHBondContact N-OG1 3.07Å; T270-T369 HydrophobicContact CG2-CG2 3.57Å; T369-R371 PolarHBondContact O-N 3.46Å
370	E	85.1	Confident	85.1	Confident	117 Å²	117	72 Å²	72	55%	0.547	37%	0.37	S	S	.	.	S	Bend	trans	-74	75.8	-176.9	-166.7	-173.1	173.4	0	0	111.2	G358 V360 L368	G358-E370 PolarHBondContact O-N 3.32Å; V360-E370 HydrophobicContact CG2-CB 4.47Å; L368-E370 PolarHBondContact O-N 3.49Å
371	R	86.9	Confident	85.8	Confident	29 Å²	29	70.1 Å²	70.1	11%	0.109	36%	0.359	C	S	.	.	S	Bend	trans	-149.7	137	-179.9	-171.5	68.8	177.7	179	1.6	111.4	T369 L373 A376	T369-R371 PolarHBondContact O-N 3.46Å; R371-L373 PolarHBondContact O-N 2.88Å; R371-A376 HydrophobicContact CG-CB 4.04Å
372	N	90.3	Very high	86.7	Confident	89 Å²	89	63.8 Å²	63.8	48%	0.476	33%	0.325	S	S	.	.			trans	-67.8	117.9	168.6	-175.9	-42.6	0	0	0	109.7	Q374 D375 A376	N372-Q374 VanDerWaalsContact C-N 3.34Å; N372-Q374 PolarHBondContact O-N 2.64Å; N372-Q374 WeakPolarHBondContact OD1-CB 3.04Å; N372-Q374 PolarHBondContact OD1-N 3.42Å; N372-D375 HydrophobicContact CB-CB 4.06Å; N372-D375 PolarHBondContact O-N 3.21Å; N372-D375 PolarHBondContact OD1-N 3.08Å; N372-A376 PolarHBondContact O-N 2.83Å
373	L	91.9	Very high	87.8	Confident	38 Å²	38	59 Å²	59	20%	0.199	30%	0.302	C	S	.	.	H	α-helix	trans	-68	-29.9	-174.3	-58.5	-179.2	0	0	0	113.4	L263 T269 R371 D375 A376 Q377	L263-L373 HydrophobicContact CB-CB 4.49Å; L263-L373 HydrophobicContact CB-CD1 4.33Å; L263-L373 HydrophobicContact CD2-CB 3.75Å; L263-L373 HydrophobicContact CG-CB 4.19Å; T269-L373 HydrophobicContact CG2-CD2 3.55Å; R371-L373 PolarHBondContact O-N 2.88Å; L373-D375 VanDerWaalsContact C-N 3.35Å; L373-A376 PolarHBondContact O-N 3.11Å; L373-Q377 PolarHBondContact O-N 3Å; L373-Q377 VanDerWaalsContact O-N 3.17Å
374	Q	92.8	Very high	88.7	Confident	98 Å²	98	60.6 Å²	60.6	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-68.2	-39.2	175	-66.8	-69.2	-30.2	0	0	110.9	L263 N372 K378	L263-Q374 HydrophobicContact CD2-CG 4.46Å; N372-Q374 VanDerWaalsContact C-N 3.34Å; N372-Q374 PolarHBondContact O-N 2.64Å; N372-Q374 WeakPolarHBondContact OD1-CB 3.04Å; N372-Q374 PolarHBondContact OD1-N 3.42Å; Q374-K378 WeakPolarHBondContact O-CD 3.41Å; Q374-K378 VanDerWaalsContact O-CG 3.3Å; Q374-K378 WeakPolarHBondContact O-CG 3.34Å; Q374-K378 PolarHBondContact O-N 2.93Å
375	D	93.3	Very high	90.1	Very high	39 Å²	39	56.1 Å²	56.1	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-42.1	175.5	-69.5	-15	0	0	0	110.8	N372 L373 Q377 K378 F379	N372-D375 HydrophobicContact CB-CB 4.06Å; N372-D375 PolarHBondContact O-N 3.21Å; N372-D375 PolarHBondContact OD1-N 3.08Å; L373-D375 VanDerWaalsContact C-N 3.35Å; D375-Q377 VanDerWaalsContact C-N 3.26Å; D375-Q377 PolarHBondContact O-N 2.79Å; D375-K378 PolarHBondContact O-N 3.48Å; D375-K378 VanDerWaalsContact O-N 3.08Å; D375-F379 HydrophobicContact CB-CD2 3.8Å; D375-F379 HydrophobicContact CB-CE2 4.26Å; D375-F379 WeakPolarHBondContact O-CB 3.49Å; D375-F379 PolarHBondContact O-N 3.43Å
376	A	93	Very high	91.2	Very high	5 Å²	5	49.8 Å²	49.8	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-36.2	176.9	0	0	0	0	0	113.1	L264 T269 R371 N372 L373 I380	L264-A376 HydrophobicContact CD1-CB 3.68Å; T269-A376 VanDerWaalsContact O-CB 3.23Å; T269-A376 WeakPolarHBondContact O-CB 3.47Å; R371-A376 HydrophobicContact CG-CB 4.04Å; N372-A376 PolarHBondContact O-N 2.83Å; L373-A376 PolarHBondContact O-N 3.11Å; A376-I380 WeakPolarHBondContact O-CG2 3.18Å
377	Q	92.2	Very high	92.1	Very high	90 Å²	90	51.2 Å²	51.2	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-72.7	-31	177.2	-169.8	-179.3	0.8	0	0	112.9	L264 L373 D375	L264-Q377 HydrophobicContact CD1-CB 4.47Å; L373-Q377 PolarHBondContact O-N 3Å; L373-Q377 VanDerWaalsContact O-N 3.17Å; D375-Q377 VanDerWaalsContact C-N 3.26Å; D375-Q377 PolarHBondContact O-N 2.79Å
378	K	92.3	Very high	93	Very high	97 Å²	97	46.9 Å²	46.9	42%	0.422	23%	0.228	S	C	.	.	H	α-helix	trans	-93.4	-40.8	-172.9	-68.4	172.7	-171.9	173.8	0	113	Y337 Q374 D375	Y337-K378 HydrophobicContact CE2-CB 4.35Å; Q374-K378 WeakPolarHBondContact O-CD 3.41Å; Q374-K378 VanDerWaalsContact O-CG 3.3Å; Q374-K378 WeakPolarHBondContact O-CG 3.34Å; Q374-K378 PolarHBondContact O-N 2.93Å; D375-K378 PolarHBondContact O-N 3.48Å; D375-K378 VanDerWaalsContact O-N 3.08Å
379	F	95.1	Very high	93.9	Very high	7 Å²	7	49 Å²	49	3%	0.031	24%	0.243	C	C	.	.			trans	-108.6	87.2	-166.8	-62.1	-47.7	0	0	0	110.9	F335 Y337 Y348 P351 D375	F335-F379 HydrophobicContact CB-CB 4.29Å; F335-F379 HydrophobicContact CB-CD1 3.78Å; F335-F379 HydrophobicContact CB-CG 4.32Å; F335-F379 HydrophobicContact CD1-CB 3.66Å; F335-F379 HydrophobicContact CD2-CB 3.67Å; F335-F379 HydrophobicContact CD2-CD1 4.16Å; F335-F379 AromaticContact CD2-CG 3.89Å; F335-F379 HydrophobicContact CD2-CG 3.89Å; F335-F379 HydrophobicContact CE1-CB 3.79Å; F335-F379 VanDerWaalsContact CE1-O 3.31Å; F335-F379 WeakPolarHBondContact CE1-O 3.44Å; F335-F379 HydrophobicContact CE2-CB 3.8Å; F335-F379 HydrophobicContact CE2-CG 4.34Å; F335-F379 HydrophobicContact CG-CB 3.6Å; F335-F379 AromaticContact CG-CD1 3.99Å; F335-F379 HydrophobicContact CG-CD1 3.99Å; F335-F379 HydrophobicContact CG-CG 4Å; F335-F379 HydrophobicContact CZ-CB 3.87Å; Y337-F379 HydrophobicContact CD2-CD1 4.33Å; Y337-F379 AromaticContact CD2-CE1 3.9Å; Y337-F379 HydrophobicContact CD2-CE1 3.9Å; Y337-F379 HydrophobicContact CG-CE1 4.17Å; Y348-F379 HydrophobicContact CD1-CD1 4.31Å; Y348-F379 AromaticContact CD1-CE1 3.37Å; Y348-F379 HydrophobicContact CD1-CE1 3.37Å; Y348-F379 HydrophobicContact CD1-CE2 4.19Å; Y348-F379 AromaticContact CD1-CZ 3.31Å; Y348-F379 HydrophobicContact CD1-CZ 3.31Å; Y348-F379 HydrophobicContact CD2-CE1 4.42Å; Y348-F379 AromaticContact CE1-CE1 3.84Å; Y348-F379 HydrophobicContact CE1-CE1 3.84Å; Y348-F379 AromaticContact CE1-CE2 3.94Å; Y348-F379 HydrophobicContact CE1-CE2 3.94Å; Y348-F379 AromaticContact CE1-CZ 3.24Å; Y348-F379 HydrophobicContact CE1-CZ 3.24Å; Y348-F379 HydrophobicContact CE2-CZ 4.43Å; Y348-F379 AromaticContact CG-CE1 3.72Å; Y348-F379 HydrophobicContact CG-CE1 3.72Å; Y348-F379 AromaticContact CG-CZ 3.99Å; Y348-F379 HydrophobicContact CG-CZ 3.99Å; Y348-F379 AromaticContact CZ-CZ 3.84Å; P351-F379 HydrophobicContact CG-CD2 4.09Å; P351-F379 HydrophobicContact CG-CE2 4.22Å; D375-F379 HydrophobicContact CB-CD2 3.8Å; D375-F379 HydrophobicContact CB-CE2 4.26Å; D375-F379 WeakPolarHBondContact O-CB 3.49Å; D375-F379 PolarHBondContact O-N 3.43Å
380	I	95.5	Very high	94.3	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.259	C	S	.	.			trans	-122.4	-27	-176.8	54.9	-176.7	0	0	0	113.4	K212 W213 F271 M272 K273 A376	K212-I380 HydrophobicContact CB-CD1 3.65Å; K212-I380 VanDerWaalsContact O-CD1 3.28Å; K212-I380 WeakPolarHBondContact O-CD1 3.31Å; W213-I380 HydrophobicContact CG-CD1 3.92Å; W213-I380 HydrophobicContact CZ2-CG2 4.39Å; F271-I380 HydrophobicContact CD1-CB 4.36Å; F271-I380 HydrophobicContact CD1-CG2 4.3Å; M272-I380 CarbonylContact C-O 3.57Å; M272-I380 WeakPolarHBondContact CA-O 3.32Å; K273-I380 PolarHBondContact N-O 2.79Å; A376-I380 WeakPolarHBondContact O-CG2 3.18Å
381	L	97.9	Very high	94.6	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.8	-178.3	177	62.9	0	0	0	109.7	E239 K273 F335 K336 W345	E239-L381 HydrophobicContact CB-CD2 3.94Å; E239-L381 HydrophobicContact CG-CD2 4.07Å; K273-L381 HydrophobicContact CG-CD1 4Å; K273-L381 WeakPolarHBondContact O-CA 3.34Å; F335-L381 CarbonylContact C-O 3.57Å; F335-L381 WeakPolarHBondContact CA-O 3.37Å; K336-L381 HydrophobicContact CB-CD2 4.13Å; K336-L381 HydrophobicContact CB-CG 4.06Å; K336-L381 HydrophobicContact CD-CD2 4.28Å; K336-L381 PolarHBondContact N-O 3.18Å; W345-L381 HydrophobicContact CE3-CD2 4.47Å; W345-L381 HydrophobicContact CZ3-CD2 4.06Å
382	M	98.2	Very high	94.9	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.5	174.9	-53.3	-42.5	-61.6	0	0	111.1	K273 A274 A330 F331 G333 F335	K273-M382 PolarHBondContact O-N 3.04Å; A274-M382 HydrophobicContact CB-CB 3.9Å; A274-M382 HydrophobicContact CB-CG 3.85Å; A330-M382 WeakPolarHBondContact O-CE 3.17Å; F331-M382 HydrophobicContact CD1-CG 3.69Å; F331-M382 HydrophobicContact CD1-SD 4.07Å; F331-M382 HydrophobicContact CE1-CG 4.16Å; G333-M382 WeakPolarHBondContact O-CE 3.33Å; F335-M382 HydrophobicContact CD1-CE 3.94Å; F335-M382 HydrophobicContact CD1-SD 3.57Å; F335-M382 VanDerWaalsContact CD1-SD 3.57Å; F335-M382 HydrophobicContact CE1-CE 3.87Å; F335-M382 HydrophobicContact CE1-SD 3.32Å; F335-M382 WeakPolarHBondContact CE1-SD 3.33Å; F335-M382 HydrophobicContact CG-CE 4.32Å; F335-M382 HydrophobicContact CZ-CE 4.18Å; F335-M382 HydrophobicContact CZ-SD 4.08Å
383	H	97.6	Very high	95.1	Very high	66 Å²	66	49.4 Å²	49.4	31%	0.306	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-42.4	173	-179.2	80.4	0	0	0	111.3	P334 K336 P347	P334-H383 HydrophobicContact CB-CB 4.37Å; P334-H383 HydrophobicContact CG-CB 4.17Å; P334-H383 WeakPolarHBondContact O-CB 3.33Å; P334-H383 PolarHBondContact O-N 3.3Å; K336-H383 HydrophobicContact CB-CB 4.19Å; P347-H383 HydrophobicContact CB-CB 4.48Å
384	E	97.4	Very high	95.1	Very high	92 Å²	92	49.4 Å²	49.4	43%	0.43	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141.1	179	-62.8	-56.4	147	0	0	111.6	A330 P334	A330-E384 HydrophobicContact CB-CB 4.46Å; P334-E384 HydrophobicContact CG-CG 4.22Å
385	V	97.8	Very high	95.1	Very high	43 Å²	43	46.1 Å²	46.1	26%	0.261	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127	177.3	-176.7	0	0	0	0	108.4	R275 N277 Q387	R275-V385 HydrophobicContact CB-CG1 4.03Å; R275-V385 HydrophobicContact CB-CG2 4.22Å; R275-V385 HydrophobicContact CG-CG1 3.92Å; R275-V385 HydrophobicContact CG-CG2 4.5Å; R275-V385 WeakPolarHBondContact O-CG1 3.42Å; N277-V385 HydrophobicContact CB-CG1 3.72Å; V385-Q387 PolarHBondContact O-N 3.34Å; V385-Q387 PolarHBondContact O-NE2 3.15Å
386	V	98.6	Very high	95.1	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	117.2	176.2	-174.2	0	0	0	0	108.8	A274 R275 L276 N277 F322 A326 I327 A330	A274-V386 HydrophobicContact CB-CG2 3.94Å; R275-V386 PolarHBondContact O-N 3.09Å; L276-V386 HydrophobicContact CD2-CB 3.87Å; L276-V386 HydrophobicContact CD2-CG1 4.02Å; L276-V386 HydrophobicContact CD2-CG2 4.21Å; N277-V386 PolarHBondContact N-O 3.33Å; F322-V386 HydrophobicContact CD1-CG1 3.78Å; F322-V386 HydrophobicContact CE1-CG1 4.43Å; A326-V386 HydrophobicContact CB-CG1 4.42Å; I327-V386 HydrophobicContact CG1-CG1 3.66Å; I327-V386 HydrophobicContact CG1-CG2 4.34Å; A330-V386 HydrophobicContact CB-CG2 3.67Å
387	Q	97.7	Very high	95	Very high	98 Å²	98	49.4 Å²	49.4	46%	0.458	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-88.3	145.7	176.6	-59.4	-56.5	-39.5	0	0	110.9	N277 V385	N277-Q387 PolarHBondContact ND2-OE1 2.7Å; V385-Q387 PolarHBondContact O-N 3.34Å; V385-Q387 PolarHBondContact O-NE2 3.15Å
388	P	97.6	Very high	94.9	Very high	18 Å²	18	49.9 Å²	49.9	12%	0.117	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-68.3	162.9	171.6	26.5	-28.6	0	0	0	111.3	N277 C320 V321 F322 T390	N277-P388 WeakPolarHBondContact O-CD 3.42Å; C320-P388 HydrophobicContact CB-CB 4.12Å; V321-P388 CarbonylContact O-C 3.59Å; V321-P388 WeakPolarHBondContact O-CA 3.35Å; V321-P388 WeakPolarHBondContact O-CB 3.28Å; F322-P388 HydrophobicContact CD1-CB 4.25Å; F322-P388 HydrophobicContact CE1-CB 3.95Å; F322-P388 HydrophobicContact CE1-CG 4.47Å; F322-P388 HydrophobicContact CZ-CB 4.39Å; P388-T390 VanDerWaalsContact CG-O 3.27Å; P388-T390 WeakPolarHBondContact CG-O 3.41Å; P388-T390 PolarHBondContact O-N 3.39Å
389	V	96.4	Very high	94.7	Very high	78 Å²	78	51.7 Å²	51.7	47%	0.473	28%	0.281	S	S	.	.	S	Bend	trans	-56.2	-39.6	178.7	176.5	0	0	0	0	111.3	L302 V321 N323	L302-V389 HydrophobicContact CD2-CG2 4.34Å; V321-V389 HydrophobicContact CB-CG2 4.43Å; V321-V389 HydrophobicContact CG1-CG2 4.22Å; V321-V389 WeakPolarHBondContact O-CG2 3.31Å; V321-V389 PolarHBondContact O-N 3.23Å; N323-V389 WeakPolarHBondContact OD1-CG2 3.22Å
390	T	93.7	Very high	94.4	Very high	63 Å²	63	52.2 Å²	52.2	39%	0.387	29%	0.285	S	S	.	.	S	Bend	trans	-114.2	143.5	176.3	53.6	0	0	0	0	110.3	P388 V392	P388-T390 VanDerWaalsContact CG-O 3.27Å; P388-T390 WeakPolarHBondContact CG-O 3.41Å; P388-T390 PolarHBondContact O-N 3.39Å; T390-V392 WeakPolarHBondContact CB-O 3.49Å; T390-V392 PolarHBondContact O-N 3.26Å; T390-V392 PolarHBondContact OG1-O 3.35Å
391	T	90.1	Very high	94.2	Very high	118 Å²	118	54.4 Å²	54.4	72%	0.724	29%	0.293	S	S	*	.	S	Bend	trans	-68	-18.8	-179.5	53.1	0	0	0	0	113.8
392	V	93.3	Very high	94	Very high	62 Å²	62	54.3 Å²	54.3	38%	0.376	29%	0.293	S	S	.	.	S	Bend	trans	-108.3	140.3	172.1	-177.6	0	0	0	0	107.7	P281 T390 M396	P281-V392 HydrophobicContact CG-CG2 3.74Å; T390-V392 WeakPolarHBondContact CB-O 3.49Å; T390-V392 PolarHBondContact O-N 3.26Å; T390-V392 PolarHBondContact OG1-O 3.35Å; V392-M396 HydrophobicContact CG1-CE 3.64Å
393	P	94.9	Very high	93.8	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.052	30%	0.299	C	S	.	.			trans	-57.2	142	175.4	-21.5	32.8	0	0	0	111.4	S279 A318 V319 F395 M396	S279-P393 WeakPolarHBondContact O-CD 3.48Å; A318-P393 HydrophobicContact CB-CB 3.85Å; A318-P393 HydrophobicContact CB-CG 4.01Å; V319-P393 CarbonylContact O-C 3.45Å; V319-P393 WeakPolarHBondContact O-CB 3.49Å; P393-F395 PolarHBondContact O-N 3.36Å; P393-M396 HydrophobicContact CB-CG 3.78Å; P393-M396 HydrophobicContact CB-SD 4.13Å; P393-M396 HydrophobicContact CG-CG 4.04Å; P393-M396 HydrophobicContact CG-SD 3.84Å
394	S	92.1	Very high	93.7	Very high	38 Å²	38	57.8 Å²	57.8	27%	0.266	31%	0.311	S	S	.	.	S	Bend	trans	-61.4	-31	-177.3	-58.1	0	0	0	0	113	V319 V321	V319-S394 PolarHBondContact O-N 3.4Å; V321-S394 WeakPolarHBondContact CG2-OG 3.39Å
395	F	93.3	Very high	93.6	Very high	28 Å²	28	54 Å²	54	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	145.3	174.4	-175.5	-98.9	0	0	0	109.8	H35 A318 V319 P393 E397 F402 L422 T434 A436	H35-F395 AromaticContact NE2-CE2 3.98Å; A318-F395 CarbonylContact C-O 3.57Å; A318-F395 VanDerWaalsContact CA-O 3.3Å; A318-F395 WeakPolarHBondContact CA-O 3.22Å; V319-F395 HydrophobicContact CB-CB 4.14Å; V319-F395 HydrophobicContact CG2-CB 4.14Å; V319-F395 HydrophobicContact CG2-CD1 4.42Å; V319-F395 PolarHBondContact N-O 2.9Å; P393-F395 PolarHBondContact O-N 3.36Å; F395-E397 HydrophobicContact CE1-CB 4.08Å; F395-F402 AromaticContact CD1-CE2 3.93Å; F395-F402 HydrophobicContact CD1-CE2 3.93Å; F395-F402 HydrophobicContact CD1-CZ 4.35Å; F395-F402 AromaticContact CE1-CE2 3.69Å; F395-F402 HydrophobicContact CE1-CE2 3.69Å; F395-F402 AromaticContact CE1-CZ 3.67Å; F395-F402 HydrophobicContact CE1-CZ 3.67Å; F395-L422 HydrophobicContact CD1-CD1 3.54Å; F395-L422 HydrophobicContact CE1-CD1 3.82Å; F395-L422 HydrophobicContact CG-CD1 4.36Å; F395-T434 HydrophobicContact CE1-CG2 4.19Å; F395-T434 HydrophobicContact CZ-CG2 3.88Å; F395-A436 HydrophobicContact CD2-CB 3.91Å; F395-A436 HydrophobicContact CE2-CB 4.18Å; F395-A436 HydrophobicContact CG-CB 4.32Å
396	M	92.4	Very high	93.5	Very high	63 Å²	63	54 Å²	54	31%	0.31	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.6	179.2	-65.2	170	-76	0	0	109.5	R280 S317 A318 V392 P393	R280-M396 WeakPolarHBondContact CD-SD 3.47Å; R280-M396 HydrophobicContact CG-SD 3.39Å; R280-M396 WeakPolarHBondContact CG-SD 3.34Å; S317-M396 WeakPolarHBondContact O-CA 3.48Å; A318-M396 HydrophobicContact CB-CG 4.04Å; V392-M396 HydrophobicContact CG1-CE 3.64Å; P393-M396 HydrophobicContact CB-CG 3.78Å; P393-M396 HydrophobicContact CB-SD 4.13Å; P393-M396 HydrophobicContact CG-CG 4.04Å; P393-M396 HydrophobicContact CG-SD 3.84Å
397	E	90.6	Very high	93.4	Very high	51 Å²	51	54.4 Å²	54.4	24%	0.238	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	122.9	174.1	-168.1	169.3	-101	0	0	109.9	A316 S317 F395 S400 F402	A316-E397 WeakPolarHBondContact CA-O 3.38Å; S317-E397 PolarHBondContact N-O 2.86Å; S317-E397 PolarHBondContact O-N 3.21Å; F395-E397 HydrophobicContact CE1-CB 4.08Å; E397-S400 WeakPolarHBondContact OE2-CB 3.49Å; E397-S400 PolarHBondContact OE2-OG 2.84Å; E397-F402 HydrophobicContact CB-CE2 3.86Å; E397-F402 HydrophobicContact CB-CZ 3.59Å; E397-F402 HydrophobicContact CG-CZ 4.21Å; E397-F402 WeakPolarHBondContact OE2-CE1 3.22Å; E397-F402 WeakPolarHBondContact OE2-CZ 3.35Å
398	D	90.1	Very high	93.2	Very high	99 Å²	99	53.6 Å²	53.6	53%	0.529	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	153	173.9	-64.1	-31.6	0	0	0	109.8	S400	D398-S400 PolarHBondContact O-N 3.37Å; D398-S400 VanDerWaalsContact O-N 3.15Å
399	N	88.1	Confident	93	Very high	136 Å²	136	54.8 Å²	54.8	73%	0.727	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	19.2	-176.6	-58.2	-44.5	0	0	0	115.3	A315	A315-N399 WeakPolarHBondContact O-CA 3.23Å; A315-N399 PolarHBondContact O-N 2.87Å
400	S	88.6	Confident	92.8	Very high	17 Å²	17	53.6 Å²	53.6	12%	0.119	30%	0.3	C	S	.	.			trans	-132.6	148.4	-179.9	-173.5	0	0	0	0	111.8	A316 S317 E397 D398 T424	A316-S400 CarbonylContact C-O 3.59Å; S317-S400 PolarHBondContact N-O 2.65Å; S317-S400 PolarHBondContact OG-O 2.92Å; E397-S400 WeakPolarHBondContact OE2-CB 3.49Å; E397-S400 PolarHBondContact OE2-OG 2.84Å; D398-S400 PolarHBondContact O-N 3.37Å; D398-S400 VanDerWaalsContact O-N 3.15Å; S400-T424 WeakPolarHBondContact OG-CG2 3.36Å
401	R	92.1	Very high	92.7	Very high	53 Å²	53	57.1 Å²	57.1	20%	0.2	31%	0.312	C	S	.	.			trans	-125.6	98.6	178.2	-68.3	-169.3	179.3	-77.3	-1.2	109.7	T309 N310 S313 A315 S317 T424 A425	T309-R401 PolarHBondContact O-NH1 2.82Å; T309-R401 PolarHBondContact OG1-NH2 3.08Å; N310-R401 PolarHBondContact O-NH2 3.41Å; S313-R401 PolarHBondContact O-NH2 3.29Å; A315-R401 HydrophobicContact CB-CG 3.99Å; S317-R401 WeakPolarHBondContact OG-CA 3.31Å; R401-T424 WeakPolarHBondContact O-CA 3.47Å; R401-A425 PolarHBondContact O-N 2.68Å
402	F	94.5	Very high	92.6	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	146	173.3	-54.9	-48.8	0	0	0	111.1	I306 S317 F395 E397 L422 A423 T424	I306-F402 HydrophobicContact CD1-CB 3.77Å; I306-F402 HydrophobicContact CG2-CB 3.65Å; S317-F402 PolarHBondContact OG-N 3.33Å; F395-F402 AromaticContact CD1-CE2 3.93Å; F395-F402 HydrophobicContact CD1-CE2 3.93Å; F395-F402 HydrophobicContact CD1-CZ 4.35Å; F395-F402 AromaticContact CE1-CE2 3.69Å; F395-F402 HydrophobicContact CE1-CE2 3.69Å; F395-F402 AromaticContact CE1-CZ 3.67Å; F395-F402 HydrophobicContact CE1-CZ 3.67Å; E397-F402 HydrophobicContact CB-CE2 3.86Å; E397-F402 HydrophobicContact CB-CZ 3.59Å; E397-F402 HydrophobicContact CG-CZ 4.21Å; E397-F402 WeakPolarHBondContact OE2-CE1 3.22Å; E397-F402 WeakPolarHBondContact OE2-CZ 3.35Å; F402-L422 HydrophobicContact CD1-CB 3.95Å; F402-L422 HydrophobicContact CD2-CB 4.46Å; F402-L422 HydrophobicContact CD2-CD1 4.05Å; F402-L422 HydrophobicContact CE1-CB 4.15Å; F402-L422 HydrophobicContact CE2-CD1 3.81Å; F402-L422 HydrophobicContact CG-CB 4.15Å; F402-L422 HydrophobicContact CZ-CD1 4.08Å; F402-A423 CarbonylContact C-O 3.15Å; F402-A423 VanDerWaalsContact CA-O 3.28Å; F402-A423 WeakPolarHBondContact CA-O 3.3Å; F402-T424 HydrophobicContact CD1-CG2 3.67Å; F402-T424 HydrophobicContact CE1-CG2 3.86Å
403	S	93	Very high	92.3	Very high	22 Å²	22	61.1 Å²	61.1	15%	0.154	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-37	-177.6	53.7	0	0	0	0	113.3	S293 A423	S293-S403 WeakPolarHBondContact CB-O 3.36Å; S403-A423 PolarHBondContact N-O 2.91Å; S403-A423 PolarHBondContact OG-O 3.23Å
404	H	94.4	Very high	92	Very high	121 Å²	121	69.1 Å²	69.1	56%	0.56	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.1	-177.4	-58.1	-76.7	0	0	0	111.4	I306 L422 A423	I306-H404 WeakPolarHBondContact CD1-O 3.46Å; H404-L422 WeakPolarHBondContact O-CA 3.44Å; H404-A423 HydrophobicContact CB-CB 4.2Å; H404-A423 PolarHBondContact O-N 3.41Å
405	V	95.8	Very high	91.8	Very high	13 Å²	13	69.2 Å²	69.2	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.8	172.4	53.3	0	0	0	0	110.5	S293 F295 I306 V407 I420 Y421 L422	S293-V405 PolarHBondContact OG-N 3.17Å; F295-V405 HydrophobicContact CB-CG1 3.96Å; F295-V405 HydrophobicContact CB-CG2 4.39Å; I306-V405 HydrophobicContact CD1-CB 3.64Å; I306-V405 HydrophobicContact CD1-CG1 4.05Å; I306-V405 HydrophobicContact CG1-CB 3.81Å; I306-V405 HydrophobicContact CG1-CG1 3.9Å; V405-V407 HydrophobicContact CG2-CG2 3.86Å; V405-I420 HydrophobicContact CG2-CG2 3.81Å; V405-Y421 WeakPolarHBondContact CA-O 3.29Å; V405-L422 HydrophobicContact CB-CD2 4.07Å; V405-L422 HydrophobicContact CG2-CD2 4.05Å
406	A	95.8	Very high	91.6	Very high	43 Å²	43	72 Å²	72	36%	0.355	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.6	159.4	0	0	0	0	0	108.7	F295 Y421	F295-A406 HydrophobicContact CD2-CB 4.44Å; F295-A406 HydrophobicContact CE2-CB 4.42Å; A406-Y421 PolarHBondContact N-O 2.81Å; A406-Y421 PolarHBondContact O-N 3.43Å
407	V	96	Very high	91.5	Very high	12 Å²	12	69.4 Å²	69.4	7%	0.073	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138	-179.4	-174.4	0	0	0	0	109.6	F295 Y304 V405 I419 I420	F295-V407 HydrophobicContact CB-CG2 4.44Å; F295-V407 HydrophobicContact CD1-CB 3.71Å; F295-V407 HydrophobicContact CD1-CG2 3.92Å; F295-V407 HydrophobicContact CE1-CB 3.82Å; F295-V407 WeakPolarHBondContact CE1-O 3.27Å; F295-V407 HydrophobicContact CG-CB 4.44Å; F295-V407 HydrophobicContact CG-CG2 4.32Å; F295-V407 VanDerWaalsContact CZ-O 3.3Å; F295-V407 WeakPolarHBondContact CZ-O 3.47Å; Y304-V407 HydrophobicContact CD1-CG2 3.76Å; Y304-V407 HydrophobicContact CD2-CB 4.46Å; Y304-V407 HydrophobicContact CD2-CG2 3.85Å; Y304-V407 HydrophobicContact CE1-CG1 4.35Å; Y304-V407 HydrophobicContact CE1-CG2 4.18Å; Y304-V407 HydrophobicContact CE2-CG1 4.22Å; Y304-V407 HydrophobicContact CE2-CG2 4.29Å; Y304-V407 HydrophobicContact CG-CG2 3.62Å; V405-V407 HydrophobicContact CG2-CG2 3.86Å; V407-I419 WeakPolarHBondContact CA-O 3.26Å; V407-I420 HydrophobicContact CG1-CG1 4.47Å; V407-I420 HydrophobicContact CG2-CG1 4.35Å; V407-I420 HydrophobicContact CG2-CG2 4.28Å
408	D	94.3	Very high	91.6	Very high	80 Å²	80	68 Å²	68	43%	0.428	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.5	171.5	-171.5	19.9	0	0	0	109.7	H418 I419 Y421	D408-H418 CarbonylContact O-C 3.6Å; D408-I419 PolarHBondContact N-O 3.48Å; D408-I419 PolarHBondContact O-N 2.95Å; D408-Y421 HydrophobicContact CB-CE2 4.11Å
409	V	93.6	Very high	91.8	Very high	44 Å²	44	64.8 Å²	64.8	27%	0.267	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.5	178.7	-177.2	0	0	0	0	108.7	L297 L416 V417	L297-V409 HydrophobicContact CD1-CG2 4.05Å; L297-V409 HydrophobicContact CD2-CG2 3.67Å; L297-V409 HydrophobicContact CG-CG2 4.49Å; V409-L416 HydrophobicContact CG1-CB 4.03Å; V409-L416 HydrophobicContact CG1-CD1 4.33Å; V409-L416 HydrophobicContact CG1-CD2 4.31Å; V409-L416 HydrophobicContact CG1-CG 4.46Å; V409-V417 WeakPolarHBondContact CA-O 3.47Å
410	V	92.8	Very high	92.1	Very high	53 Å²	53	58.4 Å²	58.4	32%	0.321	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.1	-175	-58.7	0	0	0	0	111.2	G412 L416 V417 I419	V410-G412 PolarHBondContact O-N 3.47Å; V410-L416 CarbonylContact O-C 3.48Å; V410-L416 WeakPolarHBondContact O-CA 2.96Å; V410-V417 HydrophobicContact CG2-CB 4.1Å; V410-V417 PolarHBondContact N-O 3.5Å; V410-V417 PolarHBondContact O-N 3.16Å; V410-I419 HydrophobicContact CG1-CG1 4.35Å; V410-I419 HydrophobicContact CG2-CD1 4.17Å; V410-I419 HydrophobicContact CG2-CG1 3.71Å
411	Q	91.5	Very high	92.4	Very high	137 Å²	137	61.9 Å²	61.9	64%	0.64	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	108.3	173.7	-177.4	62.4	56.9	0	0	110	L416	Q411-L416 HydrophobicContact CB-CD2 4.33Å; Q411-L416 VanDerWaalsContact OE1-CD2 3.26Å
412	G	87.5	Confident	92.6	Very high	21 Å²	21	59.4 Å²	59.4	22%	0.216	30%	0.3	C	S	.	.			trans	-77.5	-178.7	167	0	0	0	0	0	112	V410 E414 A415	V410-G412 PolarHBondContact O-N 3.47Å; G412-E414 VanDerWaalsContact C-N 3.26Å; G412-E414 PolarHBondContact O-N 2.91Å; G412-A415 WeakPolarHBondContact CA-O 3.24Å; G412-A415 PolarHBondContact N-O 3.42Å
413	R	86.8	Confident	92.5	Very high	243 Å²	243	60.7 Å²	60.7	92%	0.917	31%	0.311	S	S	*	.	S	Bend	trans	-60.7	-35.1	-178.6	-172.1	179.4	-179.4	178.7	-0.4	113.1
414	E	87.8	Confident	92.4	Very high	175 Å²	175	60.4 Å²	60.4	82%	0.818	31%	0.308	S	S	*	.	S	Bend	trans	-126.9	-22.9	-172.5	-63.6	-179.4	-176.3	0	0	113.4	G412	G412-E414 VanDerWaalsContact C-N 3.26Å; G412-E414 PolarHBondContact O-N 2.91Å
415	A	88.3	Confident	91.4	Very high	40 Å²	40	56.2 Å²	56.2	33%	0.331	30%	0.295	S	S	.	.	S	Bend	trans	-148.6	163.2	-176.6	0	0	0	0	0	111.1	G412	G412-A415 WeakPolarHBondContact CA-O 3.24Å; G412-A415 PolarHBondContact N-O 3.42Å
416	L	89.8	Confident	89.7	Confident	86 Å²	86	59.8 Å²	59.8	45%	0.45	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.1	165.9	-64.8	174.6	0	0	0	109	V409 V410 Q411	V409-L416 HydrophobicContact CG1-CB 4.03Å; V409-L416 HydrophobicContact CG1-CD1 4.33Å; V409-L416 HydrophobicContact CG1-CD2 4.31Å; V409-L416 HydrophobicContact CG1-CG 4.46Å; V410-L416 CarbonylContact O-C 3.48Å; V410-L416 WeakPolarHBondContact O-CA 2.96Å; Q411-L416 HydrophobicContact CB-CD2 4.33Å; Q411-L416 VanDerWaalsContact OE1-CD2 3.26Å
417	V	90.6	Very high	87.6	Confident	10 Å²	10	61.6 Å²	61.6	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.2	179.6	-175.5	0	0	0	0	108.4	V409 V410 I419 M438 W439	V409-V417 WeakPolarHBondContact CA-O 3.47Å; V410-V417 HydrophobicContact CG2-CB 4.1Å; V410-V417 PolarHBondContact N-O 3.5Å; V410-V417 PolarHBondContact O-N 3.16Å; V417-I419 HydrophobicContact CG1-CD1 3.8Å; V417-M438 WeakPolarHBondContact CG1-O 3.37Å; V417-W439 HydrophobicContact CG2-CD2 4.27Å; V417-W439 HydrophobicContact CG2-CE3 3.57Å; V417-W439 HydrophobicContact CG2-CH2 3.93Å; V417-W439 HydrophobicContact CG2-CZ3 3.38Å
418	H	92.4	Very high	85.3	Confident	21 Å²	21	69.8 Å²	69.8	10%	0.097	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.8	176.8	-67.3	-133.2	0	0	0	108.5	L300 Y304 D408 G437 M438	L300-H418 WeakPolarHBondContact CD1-CE1 3.48Å; Y304-H418 AromaticContact CZ-ND1 3.84Å; Y304-H418 PolarHBondContact OH-CE1 2.93Å; Y304-H418 PolarHBondContact OH-ND1 2.94Å; D408-H418 CarbonylContact O-C 3.6Å; H418-G437 WeakPolarHBondContact O-CA 3.49Å; H418-M438 HydrophobicContact CB-CB 4.21Å; H418-M438 PolarHBondContact N-O 3.4Å; H418-M438 PolarHBondContact O-N 3.19Å
419	I	94.1	Very high	83.6	Confident	32 Å²	32	68.1 Å²	68.1	16%	0.164	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.5	177.1	-53.6	-59.8	0	0	0	108.4	V407 D408 V410 V417 Y421 V435	V407-I419 WeakPolarHBondContact CA-O 3.26Å; D408-I419 PolarHBondContact N-O 3.48Å; D408-I419 PolarHBondContact O-N 2.95Å; V410-I419 HydrophobicContact CG1-CG1 4.35Å; V410-I419 HydrophobicContact CG2-CD1 4.17Å; V410-I419 HydrophobicContact CG2-CG1 3.71Å; V417-I419 HydrophobicContact CG1-CD1 3.8Å; I419-Y421 HydrophobicContact CB-CE2 4.25Å; I419-Y421 HydrophobicContact CG2-CD2 4.32Å; I419-Y421 HydrophobicContact CG2-CE1 4.18Å; I419-Y421 HydrophobicContact CG2-CE2 3.65Å; I419-V435 HydrophobicContact CG2-CG1 3.58Å
420	I	94.9	Very high	82	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.5	-177.3	-49.9	175.7	0	0	0	108.4	Y304 V319 V405 V407 L422 V435 A436	Y304-I420 HydrophobicContact CD1-CD1 4.14Å; Y304-I420 HydrophobicContact CE1-CD1 3.94Å; Y304-I420 HydrophobicContact CE1-CG1 4.31Å; V319-I420 HydrophobicContact CG1-CD1 4.47Å; V405-I420 HydrophobicContact CG2-CG2 3.81Å; V407-I420 HydrophobicContact CG1-CG1 4.47Å; V407-I420 HydrophobicContact CG2-CG1 4.35Å; V407-I420 HydrophobicContact CG2-CG2 4.28Å; I420-L422 HydrophobicContact CG2-CD1 4.42Å; I420-L422 HydrophobicContact CG2-CD2 3.73Å; I420-L422 HydrophobicContact CG2-CG 3.91Å; I420-V435 WeakPolarHBondContact O-CA 3.22Å; I420-A436 HydrophobicContact CB-CB 4.48Å; I420-A436 PolarHBondContact N-O 3.13Å; I420-A436 PolarHBondContact O-N 3.01Å
421	Y	95.5	Very high	81.3	Confident	90 Å²	90	78.3 Å²	78.3	35%	0.353	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.5	175.5	-60	-88.6	0	0	0	109.4	V405 A406 D408 I419 V435	V405-Y421 WeakPolarHBondContact CA-O 3.29Å; A406-Y421 PolarHBondContact N-O 2.81Å; A406-Y421 PolarHBondContact O-N 3.43Å; D408-Y421 HydrophobicContact CB-CE2 4.11Å; I419-Y421 HydrophobicContact CB-CE2 4.25Å; I419-Y421 HydrophobicContact CG2-CD2 4.32Å; I419-Y421 HydrophobicContact CG2-CE1 4.18Å; I419-Y421 HydrophobicContact CG2-CE2 3.65Å; Y421-V435 HydrophobicContact CD1-CG1 4.41Å; Y421-V435 HydrophobicContact CD1-CG2 3.84Å; Y421-V435 HydrophobicContact CE1-CG1 4.19Å; Y421-V435 HydrophobicContact CE1-CG2 4.05Å
422	L	94.8	Very high	80.7	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118	-175.2	-59.4	170	0	0	0	110.2	I306 V319 F395 F402 H404 V405 I420 L433 T434	I306-L422 HydrophobicContact CD1-CD2 3.8Å; I306-L422 HydrophobicContact CG1-CD2 4.08Å; V319-L422 HydrophobicContact CG2-CD1 3.85Å; V319-L422 HydrophobicContact CG2-CD2 3.71Å; V319-L422 HydrophobicContact CG2-CG 4.44Å; F395-L422 HydrophobicContact CD1-CD1 3.54Å; F395-L422 HydrophobicContact CE1-CD1 3.82Å; F395-L422 HydrophobicContact CG-CD1 4.36Å; F402-L422 HydrophobicContact CD1-CB 3.95Å; F402-L422 HydrophobicContact CD2-CB 4.46Å; F402-L422 HydrophobicContact CD2-CD1 4.05Å; F402-L422 HydrophobicContact CE1-CB 4.15Å; F402-L422 HydrophobicContact CE2-CD1 3.81Å; F402-L422 HydrophobicContact CG-CB 4.15Å; F402-L422 HydrophobicContact CZ-CD1 4.08Å; H404-L422 WeakPolarHBondContact O-CA 3.44Å; V405-L422 HydrophobicContact CB-CD2 4.07Å; V405-L422 HydrophobicContact CG2-CD2 4.05Å; I420-L422 HydrophobicContact CG2-CD1 4.42Å; I420-L422 HydrophobicContact CG2-CD2 3.73Å; I420-L422 HydrophobicContact CG2-CG 3.91Å; L422-L433 CarbonylContact O-C 3.5Å; L422-L433 WeakPolarHBondContact O-CA 3.41Å; L422-T434 PolarHBondContact N-O 3.16Å; L422-T434 PolarHBondContact O-N 3.49Å
423	A	93.4	Very high	80.6	Confident	29 Å²	29	79 Å²	79	24%	0.24	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.1	174.5	0	0	0	0	0	111	F402 S403 H404	F402-A423 CarbonylContact C-O 3.15Å; F402-A423 VanDerWaalsContact CA-O 3.28Å; F402-A423 WeakPolarHBondContact CA-O 3.3Å; S403-A423 PolarHBondContact N-O 2.91Å; S403-A423 PolarHBondContact OG-O 3.23Å; H404-A423 HydrophobicContact CB-CB 4.2Å; H404-A423 PolarHBondContact O-N 3.41Å
424	T	89.8	Confident	80.4	Confident	16 Å²	16	68.4 Å²	68.4	10%	0.098	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	149.3	172.7	59.6	0	0	0	0	113.9	S400 R401 F402 P430 T432	S400-T424 WeakPolarHBondContact OG-CG2 3.36Å; R401-T424 WeakPolarHBondContact O-CA 3.47Å; F402-T424 HydrophobicContact CD1-CG2 3.67Å; F402-T424 HydrophobicContact CE1-CG2 3.86Å; T424-P430 PolarHBondContact OG1-O 2.95Å; T424-T432 WeakPolarHBondContact CG2-OG1 3.39Å; T424-T432 PolarHBondContact N-O 2.78Å; T424-T432 VanDerWaalsContact N-O 3.08Å; T424-T432 PolarHBondContact OG1-N 3.32Å; T424-T432 PolarHBondContact OG1-OG1 2.94Å; T424-T432 VanDerWaalsContact OG1-OG1 3.12Å
425	A	73.9	Confident	80.2	Confident	34 Å²	34	63.6 Å²	63.6	28%	0.281	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-70.8	148.2	174.7	0	0	0	0	0	111.8	R401 A427	R401-A425 PolarHBondContact O-N 2.68Å; A425-A427 PolarHBondContact O-N 3.25Å
426	P	61	Low	79.9	Confident	87 Å²	87	62 Å²	62	57%	0.565	36%	0.355	S	S	*	.	S	Bend	trans	-70.8	0.5	-176.7	-16.3	29.7	0	0	0	116	L428	P426-L428 PolarHBondContact O-N 2.81Å
427	A	51.5	Low	79.3	Confident	82 Å²	82	60.2 Å²	60.2	68%	0.678	36%	0.358	S	S	*	.	S	Bend	trans	-65.9	-37	-153.2	0	0	0	0	0	114.2	A425	A425-A427 PolarHBondContact O-N 3.25Å
428	L	46.8	Very low	78.5	Confident	184 Å²	184	62.4 Å²	62.4	96%	0.963	37%	0.368	S	S	*	.	S	Bend	trans	-151.9	12.7	-173.4	-77.8	166	0	0	0	114.8	P426	P426-L428 PolarHBondContact O-N 2.81Å
429	G	58.5	Low	77.2	Confident	44 Å²	44	72.6 Å²	72.6	45%	0.454	41%	0.406	S	S	.	.	S	Bend	trans	-154	175.8	-174.6	0	0	0	0	0	114.4
430	P	61.6	Low	76.4	Confident	107 Å²	107	74.6 Å²	74.6	70%	0.695	42%	0.418	S	S	*	.			trans	-59.1	139.2	174.6	25.3	-32.3	0	0	0	110.3	T424 T432	T424-P430 PolarHBondContact OG1-O 2.95Å; P430-T432 HydrophobicContact CG-CG2 4.44Å; P430-T432 PolarHBondContact O-N 3.35Å
431	R	76.4	Confident	75.4	Confident	204 Å²	204	78.4 Å²	78.4	77%	0.77	44%	0.439	S	S	*	.			trans	-65.2	123.3	168.3	-67.7	-176.2	-177.2	-173.4	-1.1	107.8
432	T	80.1	Confident	74.3	Confident	57 Å²	57	77.8 Å²	77.8	35%	0.35	44%	0.444	S	S	.	.			trans	-125.5	145.7	179	55.4	0	0	0	0	109.2	T424 P430	T424-T432 WeakPolarHBondContact CG2-OG1 3.39Å; T424-T432 PolarHBondContact N-O 2.78Å; T424-T432 VanDerWaalsContact N-O 3.08Å; T424-T432 PolarHBondContact OG1-N 3.32Å; T424-T432 PolarHBondContact OG1-OG1 2.94Å; T424-T432 VanDerWaalsContact OG1-OG1 3.12Å; P430-T432 HydrophobicContact CG-CG2 4.44Å; P430-T432 PolarHBondContact O-N 3.35Å
433	L	84.9	Confident	73.1	Confident	117 Å²	117	82.4 Å²	82.4	61%	0.613	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	107.7	167.8	178	66.3	0	0	0	106.1	L422	L422-L433 CarbonylContact O-C 3.5Å; L422-L433 WeakPolarHBondContact O-CA 3.41Å
434	T	82.2	Confident	71.8	Confident	20 Å²	20	85.7 Å²	85.7	12%	0.123	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.6	176.3	-60.4	0	0	0	0	108.4	F395 L422	F395-T434 HydrophobicContact CE1-CG2 4.19Å; F395-T434 HydrophobicContact CZ-CG2 3.88Å; L422-T434 PolarHBondContact N-O 3.16Å; L422-T434 PolarHBondContact O-N 3.49Å
435	V	84.3	Confident	70.6	Confident	73 Å²	73	90.3 Å²	90.3	44%	0.442	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.7	175.7	-175.1	0	0	0	0	108	I419 I420 Y421	I419-V435 HydrophobicContact CG2-CG1 3.58Å; I420-V435 WeakPolarHBondContact O-CA 3.22Å; Y421-V435 HydrophobicContact CD1-CG1 4.41Å; Y421-V435 HydrophobicContact CD1-CG2 3.84Å; Y421-V435 HydrophobicContact CE1-CG1 4.19Å; Y421-V435 HydrophobicContact CE1-CG2 4.05Å
436	A	81.1	Confident	70.3	Confident	7 Å²	7	94.4 Å²	94.4	6%	0.058	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133	179.3	0	0	0	0	0	110.1	F395 I420	F395-A436 HydrophobicContact CD2-CB 3.91Å; F395-A436 HydrophobicContact CE2-CB 4.18Å; F395-A436 HydrophobicContact CG-CB 4.32Å; I420-A436 HydrophobicContact CB-CB 4.48Å; I420-A436 PolarHBondContact N-O 3.13Å; I420-A436 PolarHBondContact O-N 3.01Å
437	G	77.1	Confident	71.1	Confident	49 Å²	49	94.9 Å²	94.9	51%	0.505	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127	171.7	0	0	0	0	0	110.5	H418	H418-G437 WeakPolarHBondContact O-CA 3.49Å
438	M	73.9	Confident	72.7	Confident	56 Å²	56	96 Å²	96	28%	0.276	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.9	172.2	-168.1	-177.8	91.2	0	0	109.2	V417 H418	V417-M438 WeakPolarHBondContact CG1-O 3.37Å; H418-M438 HydrophobicContact CB-CB 4.21Å; H418-M438 PolarHBondContact N-O 3.4Å; H418-M438 PolarHBondContact O-N 3.19Å
439	W	65.4	Low	75	Confident	234 Å²	234	88 Å²	88	89%	0.886	47%	0.47	S	S	*	.			trans	-98.3	0	-179.4	-59.7	90.4	0	0	0	111.8	V417	V417-W439 HydrophobicContact CG2-CD2 4.27Å; V417-W439 HydrophobicContact CG2-CE3 3.57Å; V417-W439 HydrophobicContact CG2-CH2 3.93Å; V417-W439 HydrophobicContact CG2-CZ3 3.38Å

Retrieved 439 of 439 residues in 315 ms (Link to these results)

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