A0A087XG47_POEFO Loading...

Exostosin-like 2

Glycosyltransferase required for the biosynthesis of heparan-sulfate and responsible for the alternating addition of beta-1-4-linked glucuronic acid (GlcA) and alpha-1-4-linked N-acetylglucosamine (GlcNAc) units to nascent heparan sulfate chains.

AlphaFold DB , UniProt , Accession A0A087XG47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	41	Very low	250 Å²	250	170.7 Å²	170.7	100%	1.232	87%	0.867	S	S	*	*				0	137	0	-151.1	153.8	159.5	0	0	107.7
2	R	39	Very low	42	Very low	237 Å²	237	175.7 Å²	175.7	89%	0.894	87%	0.867	S	S	*	*			trans	-53.1	148.5	-164	-62.4	168.4	174.4	176.1	-2.5	114.7
3	L	35.4	Very low	42.6	Very low	176 Å²	176	176.8 Å²	176.8	92%	0.921	86%	0.864	S	S	*	*				-163.5	121.1	122	-103	139.7	0	0	0	111.8
4	R	36.4	Very low	43.7	Very low	226 Å²	226	170.1 Å²	170.1	85%	0.853	84%	0.842	S	S	*	*			trans	-70.3	144.8	173.6	-78.4	168.8	156.3	173	-8.5	109.9
5	C	35.5	Very low	44.7	Very low	138 Å²	138	166.6 Å²	166.6	93%	0.932	83%	0.826	S	S	*	*			trans	-109.2	120.4	153.8	-126.8	0	0	0	0	108.7
6	C	36.7	Very low	46	Very low	107 Å²	107	162.8 Å²	162.8	72%	0.723	81%	0.808	S	S	*	*			trans	-83.9	153.4	-178.7	-80.2	0	0	0	0	112.4
7	C	40.7	Very low	47.2	Very low	119 Å²	119	162.7 Å²	162.7	80%	0.804	80%	0.803	S	S	*	*			trans	-26.8	138.3	167.8	-52.4	0	0	0	0	118.2
8	F	38.5	Very low	48.3	Very low	208 Å²	208	157.3 Å²	157.3	91%	0.912	78%	0.782	S	S	*	*			trans	-132.3	87.2	146.8	-101.6	-82.9	0	0	0	109.6
9	G	50	Low	49.5	Very low	72 Å²	72	154.4 Å²	154.4	74%	0.742	77%	0.769	S	S	*	*			trans	-102.4	86.6	163.6	0	0	0	0	0	108.9
10	L	47.6	Very low	50.6	Low	150 Å²	150	151.6 Å²	151.6	79%	0.785	76%	0.756	S	S	*	*			trans	-161.7	140.5	165	-138.5	75.3	0	0	0	111.1
11	R	54.4	Low	51.8	Low	195 Å²	195	149.1 Å²	149.1	74%	0.736	75%	0.745	S	S	*	*			trans	90.1	59.8	167.5	-56.4	-174.3	174.3	-165.9	-1.1	118.8
12	R	52.8	Low	53.6	Low	230 Å²	230	143 Å²	143	87%	0.868	72%	0.716	S	S	*	*	S	Bend	trans	-99.6	-13.5	145.8	-116.2	179.4	-178.1	-172.1	0.3	113.6
13	K	49.1	Very low	55.3	Low	191 Å²	191	137.6 Å²	137.6	83%	0.83	70%	0.704	S	S	*	*	S	Bend	trans	-89.2	-9.9	-176.7	-67.6	-172.1	177.4	-176.6	0	115.3
14	C	58	Low	57.3	Low	83 Å²	83	134.9 Å²	134.9	56%	0.561	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-7.5	-177.3	-68.6	0	0	0	0	115.3
15	I	59.8	Low	59.2	Low	117 Å²	117	127.9 Å²	127.9	60%	0.6	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-25.7	-177.4	-58.2	175.5	0	0	0	111.9	P18 L19	I15-P18 WeakPolarHBondContact O-CD 3.5Å; I15-P18 WeakPolarHBondContact O-CG 3.48Å; I15-L19 HydrophobicContact CG2-CD1 4.23Å
16	I	65.5	Low	60.8	Low	105 Å²	105	123 Å²	123	54%	0.538	65%	0.645	S	S	.	*	H	α-helix	trans	-73	-36	-176.6	-61.9	173	0	0	0	111.5	L19 L20	I16-L19 PolarHBondContact O-N 3.29Å; I16-L20 HydrophobicContact CG2-CD1 3.82Å; I16-L20 PolarHBondContact O-N 2.93Å; I16-L20 VanDerWaalsContact O-N 3.11Å
17	F	65.6	Low	62.4	Low	162 Å²	162	120.8 Å²	120.8	71%	0.711	63%	0.634	S	S	*	*	H	α-helix	trans	-64.6	-46.2	-177.9	-144.3	-89.7	0	0	0	114.2	L19 L20 L21	F17-L19 VanDerWaalsContact C-N 3.35Å; F17-L19 PolarHBondContact O-N 3.45Å; F17-L20 PolarHBondContact O-N 3.41Å; F17-L21 PolarHBondContact O-N 3.04Å; F17-L21 VanDerWaalsContact O-N 3.11Å
18	P	67.3	Low	63.8	Low	66 Å²	66	117.7 Å²	117.7	43%	0.429	62%	0.617	S	S	.	*	H	α-helix	trans	-67.6	-31.7	177.1	22.6	-31.8	0	0	0	113.4	I15 L21 I22	I15-P18 WeakPolarHBondContact O-CD 3.5Å; I15-P18 WeakPolarHBondContact O-CG 3.48Å; P18-L21 PolarHBondContact O-N 3.26Å; P18-I22 WeakPolarHBondContact O-CG1 3.44Å; P18-I22 PolarHBondContact O-N 2.89Å
19	L	70.6	Confident	65.1	Low	102 Å²	102	112.9 Å²	112.9	53%	0.534	60%	0.6	S	S	.	*	H	α-helix	trans	-67.7	-42.2	176	-88.8	158.8	0	0	0	112.5	I15 I16 F17 L21 I22 L23	I15-L19 HydrophobicContact CG2-CD1 4.23Å; I16-L19 PolarHBondContact O-N 3.29Å; F17-L19 VanDerWaalsContact C-N 3.35Å; F17-L19 PolarHBondContact O-N 3.45Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.85Å; L19-I22 PolarHBondContact O-N 3.15Å; L19-L23 PolarHBondContact O-N 3.29Å; L19-L23 VanDerWaalsContact O-N 3.11Å
20	L	72.6	Confident	65.7	Low	97 Å²	97	114 Å²	114	51%	0.508	59%	0.593	S	S	.	*	H	α-helix	trans	-64.6	-36.7	174.2	-88.8	159.1	0	0	0	112.1	I16 F17 L23 L24	I16-L20 HydrophobicContact CG2-CD1 3.82Å; I16-L20 PolarHBondContact O-N 2.93Å; I16-L20 VanDerWaalsContact O-N 3.11Å; F17-L20 PolarHBondContact O-N 3.41Å; L20-L23 PolarHBondContact O-N 3.35Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 3.02Å
21	L	74.2	Confident	66.7	Low	101 Å²	101	110.9 Å²	110.9	53%	0.529	59%	0.589	S	S	.	*	H	α-helix	trans	-66.1	-42.2	176.8	-163.6	76.5	0	0	0	111.8	F17 P18 L19 L24 V25	F17-L21 PolarHBondContact O-N 3.04Å; F17-L21 VanDerWaalsContact O-N 3.11Å; P18-L21 PolarHBondContact O-N 3.26Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.85Å; L21-L24 PolarHBondContact O-N 3.22Å; L21-V25 VanDerWaalsContact O-CG2 3.3Å; L21-V25 WeakPolarHBondContact O-CG2 3.44Å; L21-V25 PolarHBondContact O-N 3.29Å
22	I	76.3	Confident	67.1	Low	121 Å²	121	108.2 Å²	108.2	62%	0.621	59%	0.589	S	S	*	*	H	α-helix	trans	-63.8	-41.9	176.8	-69	167	0	0	0	111.1	P18 L19 V25 G26	P18-I22 WeakPolarHBondContact O-CG1 3.44Å; P18-I22 PolarHBondContact O-N 2.89Å; L19-I22 PolarHBondContact O-N 3.15Å; I22-V25 PolarHBondContact O-N 3.48Å; I22-G26 PolarHBondContact O-N 3.47Å
23	L	74.3	Confident	67.1	Low	124 Å²	124	103.1 Å²	103.1	65%	0.649	58%	0.578	S	S	*	*	H	α-helix	trans	-64.8	-40.5	176.8	-81.5	161.7	0	0	0	112.4	L19 L20 G26 A27	L19-L23 PolarHBondContact O-N 3.29Å; L19-L23 VanDerWaalsContact O-N 3.11Å; L20-L23 PolarHBondContact O-N 3.35Å; L23-G26 PolarHBondContact O-N 3.17Å; L23-A27 WeakPolarHBondContact O-CB 3.44Å; L23-A27 PolarHBondContact O-N 3.26Å
24	L	77.1	Confident	67.4	Low	118 Å²	118	99.2 Å²	99.2	62%	0.618	57%	0.572	S	S	*	*	H	α-helix	trans	-64.7	-41.8	175.4	-92.1	158.4	0	0	0	112.3	L20 L21 A27 A28	L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 3.02Å; L21-L24 PolarHBondContact O-N 3.22Å; L24-A27 PolarHBondContact O-N 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.1Å; L24-A28 PolarHBondContact O-N 3.45Å
25	V	75.7	Confident	67.1	Low	80 Å²	80	100.9 Å²	100.9	49%	0.485	58%	0.582	S	S	.	*	H	α-helix	trans	-66.4	-40.8	176.4	172.2	0	0	0	0	111.1	L21 I22 A28 L29	L21-V25 VanDerWaalsContact O-CG2 3.3Å; L21-V25 WeakPolarHBondContact O-CG2 3.44Å; L21-V25 PolarHBondContact O-N 3.29Å; I22-V25 PolarHBondContact O-N 3.48Å; V25-A28 PolarHBondContact O-N 3.38Å; V25-L29 HydrophobicContact CG1-CD1 3.77Å; V25-L29 WeakPolarHBondContact O-CB 3.42Å; V25-L29 PolarHBondContact O-N 3.17Å
26	G	69.4	Low	66.4	Low	36 Å²	36	100.4 Å²	100.4	37%	0.371	60%	0.595	S	S	.	*	H	α-helix	trans	-62	-42.4	175.6	0	0	0	0	0	113	I22 L23 L29 T30	I22-G26 PolarHBondContact O-N 3.47Å; L23-G26 PolarHBondContact O-N 3.17Å; G26-L29 PolarHBondContact O-N 3.35Å; G26-T30 PolarHBondContact O-N 3.45Å; G26-T30 VanDerWaalsContact O-N 3.17Å; G26-T30 PolarHBondContact O-OG1 3.46Å
27	A	70.2	Confident	65.2	Low	59 Å²	59	103 Å²	103	49%	0.488	61%	0.605	S	S	.	*	H	α-helix	trans	-70.2	-34.2	177.5	0	0	0	0	0	113.1	L23 L24 T30 A31	L23-A27 WeakPolarHBondContact O-CB 3.44Å; L23-A27 PolarHBondContact O-N 3.26Å; L24-A27 PolarHBondContact O-N 3.24Å; A27-T30 PolarHBondContact O-OG1 2.99Å; A27-A31 PolarHBondContact O-N 3.38Å
28	A	71.2	Confident	64.3	Low	54 Å²	54	104.6 Å²	104.6	45%	0.446	62%	0.615	S	S	.	*	H	α-helix	trans	-70.3	-37.4	174.7	0	0	0	0	0	112.1	L24 V25 A31 L32	L24-A28 WeakPolarHBondContact O-CB 3.1Å; L24-A28 PolarHBondContact O-N 3.45Å; V25-A28 PolarHBondContact O-N 3.38Å; A28-A31 PolarHBondContact O-N 3.01Å; A28-L32 WeakPolarHBondContact O-CG 3.42Å; A28-L32 PolarHBondContact O-N 2.58Å
29	L	65.3	Low	63	Low	107 Å²	107	109.3 Å²	109.3	56%	0.56	63%	0.631	S	S	*	*	H	α-helix	trans	-67.9	-35.7	177.2	-85.4	157.4	0	0	0	112.7	V25 G26 A31 L32	V25-L29 HydrophobicContact CG1-CD1 3.77Å; V25-L29 WeakPolarHBondContact O-CB 3.42Å; V25-L29 PolarHBondContact O-N 3.17Å; G26-L29 PolarHBondContact O-N 3.35Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-L32 PolarHBondContact O-N 2.99Å
30	T	63.5	Low	61.6	Low	95 Å²	95	108.7 Å²	108.7	58%	0.583	65%	0.649	S	S	*	*	H	α-helix	trans	-72.4	-28	174.8	48.5	0	0	0	0	112.9	G26 A27 L32 L33	G26-T30 PolarHBondContact O-N 3.45Å; G26-T30 VanDerWaalsContact O-N 3.17Å; G26-T30 PolarHBondContact O-OG1 3.46Å; A27-T30 PolarHBondContact O-OG1 2.99Å; T30-L32 VanDerWaalsContact C-N 3.29Å; T30-L33 PolarHBondContact O-N 3.21Å
31	A	68	Low	59.8	Low	85 Å²	85	106.6 Å²	106.6	70%	0.702	65%	0.651	S	S	*	*	H	α-helix	trans	-75.6	-15.3	174.1	0	0	0	0	0	113.9	A27 A28 L29	A27-A31 PolarHBondContact O-N 3.38Å; A28-A31 PolarHBondContact O-N 3.01Å; L29-A31 VanDerWaalsContact C-N 3.35Å
32	L	63	Low	58.1	Low	140 Å²	140	106.9 Å²	106.9	73%	0.733	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-4.4	175.8	-75	164.2	0	0	0	113.2	A28 L29 T30	A28-L32 WeakPolarHBondContact O-CG 3.42Å; A28-L32 PolarHBondContact O-N 2.58Å; L29-L32 PolarHBondContact O-N 2.99Å; T30-L32 VanDerWaalsContact C-N 3.29Å
33	L	53.3	Low	56.1	Low	123 Å²	123	105.5 Å²	105.5	64%	0.644	66%	0.663	S	S	*	*	S	Bend	trans	-80.4	128.6	173.6	-69.3	171.3	0	0	0	109.6	T30	T30-L33 PolarHBondContact O-N 3.21Å
34	P	55.4	Low	54.2	Low	109 Å²	109	110.7 Å²	110.7	71%	0.708	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-63.4	142.9	175.4	25.4	-31.5	0	0	0	110	A36	P34-A36 PolarHBondContact O-N 2.96Å
35	P	50.1	Low	52.3	Low	117 Å²	117	111 Å²	111	76%	0.76	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-61.2	134.8	175.2	25.5	-31.5	0	0	0	109.3	E37	P35-E37 PolarHBondContact O-N 3.39Å
36	A	45.2	Very low	50.3	Low	107 Å²	107	113.9 Å²	113.9	88%	0.884	69%	0.693	S	S	*	*			trans	-68.3	95.6	176.9	0	0	0	0	0	109.3	P34	P34-A36 PolarHBondContact O-N 2.96Å
37	E	41.8	Very low	48.7	Very low	159 Å²	159	115 Å²	115	74%	0.743	71%	0.705	S	S	*	*			trans	-70.1	131.9	166.6	-77.8	-147.3	151	0	0	110.5	P35 H39	P35-E37 PolarHBondContact O-N 3.39Å; E37-H39 PolarHBondContact O-N 3.07Å; E37-H39 VanDerWaalsContact O-N 3.15Å
38	E	45.2	Very low	47.1	Very low	196 Å²	196	118.3 Å²	118.3	92%	0.916	72%	0.718	S	S	*	*			trans	-54.1	112.5	169.2	-74.9	-173.8	130.4	0	0	110.6
39	H	40	Very low	45.3	Very low	165 Å²	165	123.8 Å²	123.8	76%	0.764	74%	0.739	S	S	*	*			trans	-112.1	108.2	163.7	-93.5	60.2	0	0	0	109.8	E37 G41	E37-H39 PolarHBondContact O-N 3.07Å; E37-H39 VanDerWaalsContact O-N 3.15Å; H39-G41 VanDerWaalsContact C-N 3.27Å; H39-G41 PolarHBondContact O-N 2.94Å
40	G	41.1	Very low	43.7	Very low	89 Å²	89	130.2 Å²	130.2	92%	0.918	76%	0.756	S	S	*	*			trans	-66.5	71.4	177.2	0	0	0	0	0	114
41	G	35.8	Very low	42.3	Very low	54 Å²	54	137.5 Å²	137.5	56%	0.557	77%	0.773	S	S	*	*			trans	-110.6	-15.3	174.9	0	0	0	0	0	115.3	H39	H39-G41 VanDerWaalsContact C-N 3.27Å; H39-G41 PolarHBondContact O-N 2.94Å
42	V	37.9	Very low	40.6	Very low	107 Å²	107	138.2 Å²	138.2	65%	0.648	78%	0.779	S	S	*	*	S	Bend	trans	-93.4	-15.4	-170.2	-171.6	0	0	0	0	113.1	R44 L46	V42-R44 VanDerWaalsContact C-N 3.28Å; V42-R44 PolarHBondContact O-N 3.18Å; V42-L46 HydrophobicContact CG1-CD1 4.1Å
43	A	35.2	Very low	39.2	Very low	91 Å²	91	136 Å²	136	75%	0.752	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-13.2	-179.5	0	0	0	0	0	114.6
44	R	33.6	Very low	38.4	Very low	234 Å²	234	136.1 Å²	136.1	88%	0.883	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-14.3	-179.6	-129.7	177.2	-171.1	168	2.5	114.3	V42	V42-R44 VanDerWaalsContact C-N 3.28Å; V42-R44 PolarHBondContact O-N 3.18Å
45	V	38.2	Very low	37.5	Very low	125 Å²	125	139.1 Å²	139.1	76%	0.758	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-18.8	179.4	-178	0	0	0	0	112.1
46	L	34	Very low	37	Very low	139 Å²	139	143.2 Å²	143.2	73%	0.728	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	1.3	175.3	-89.3	137.7	0	0	0	114.6	V42	V42-L46 HydrophobicContact CG1-CD1 4.1Å
47	G	34.6	Very low	36.2	Very low	61 Å²	61	141.9 Å²	141.9	63%	0.629	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-3.5	-178.1	0	0	0	0	0	116.2
48	V	35.8	Very low	35.7	Very low	127 Å²	127	141.9 Å²	141.9	77%	0.77	80%	0.801	S	S	*	*	S	Bend	trans	-105.5	3.2	-170.4	-177.2	0	0	0	0	113.9
49	L	35.2	Very low	35.5	Very low	170 Å²	170	138.8 Å²	138.8	89%	0.89	80%	0.798	S	S	*	*			trans	-127.5	42.2	177.4	-71.6	173.2	0	0	0	114.2
50	R	30.9	Very low	35.6	Very low	241 Å²	241	134.9 Å²	134.9	91%	0.909	79%	0.794	S	S	*	*			trans	-108.3	87.6	162	-86.5	-175.3	174.2	173.1	-0.8	110.2
51	R	34.8	Very low	35.9	Very low	249 Å²	249	140.2 Å²	140.2	94%	0.94	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.9	133.9	158	-97.8	-179.8	177	164.5	-0.6	108.7
52	A	32.6	Very low	36	Very low	99 Å²	99	141 Å²	141	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-59.1	138	-176.5	0	0	0	0	0	112.9
53	A	32.4	Very low	36.3	Very low	93 Å²	93	143.9 Å²	143.9	77%	0.769	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.5	137.6	162.8	0	0	0	0	0	109.5
54	P	36.6	Very low	36.8	Very low	127 Å²	127	143.5 Å²	143.5	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-89.7	139.8	159.1	24.4	-11.3	0	0	0	110.4
55	Q	37	Very low	37.8	Very low	172 Å²	172	136 Å²	136	80%	0.804	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-78.9	147.9	173.8	-78.6	-151.3	-1.7	0	0	113.1
56	K	38.5	Very low	38.4	Very low	203 Å²	203	135.9 Å²	135.9	88%	0.883	78%	0.783	S	S	*	*			trans	58.7	111.4	148.6	-82.1	-178.9	173.3	178.4	0	119.9
57	G	28.6	Very low	39.5	Very low	79 Å²	79	131.4 Å²	131.4	81%	0.814	77%	0.766	S	S	*	*			trans	-148.9	144	152	0	0	0	0	0	110.2
58	N	31.3	Very low	40.7	Very low	159 Å²	159	131.1 Å²	131.1	85%	0.85	75%	0.749	S	S	*	*			trans	-51.8	156.9	-168	-82.6	-24.9	0	0	0	117.9	A60	N58-A60 PolarHBondContact O-N 3.11Å
59	P	42	Very low	42.1	Very low	130 Å²	130	130.1 Å²	130.1	84%	0.844	74%	0.737	S	S	*	*			trans	-88	104.2	174.2	34.1	-27.5	0	0	0	111.1
60	A	41.1	Very low	44.6	Very low	83 Å²	83	127.6 Å²	127.6	69%	0.686	72%	0.72	S	S	*	*			trans	-149.1	118.9	161.4	0	0	0	0	0	110.5	N58	N58-A60 PolarHBondContact O-N 3.11Å
61	Q	48.8	Very low	47.7	Very low	201 Å²	201	120 Å²	120	94%	0.939	69%	0.693	S	S	*	*			trans	55	108.8	157.9	-83.9	148	-39.8	0	0	119.8
62	G	36.2	Very low	50.7	Low	71 Å²	71	108.1 Å²	108.1	73%	0.732	65%	0.649	S	S	*	*			trans	163.6	98.6	159.1	0	0	0	0	0	109.9
63	Q	44.1	Very low	53.9	Low	168 Å²	168	103.4 Å²	103.4	79%	0.785	61%	0.61	S	S	*	*			trans	-59.7	127.2	158.5	-78.9	-173.9	-25.9	0	0	106.5	A65	Q63-A65 PolarHBondContact O-N 3.3Å
64	P	47.2	Very low	57.1	Low	83 Å²	83	99 Å²	99	54%	0.539	57%	0.574	S	S	.	*			trans	-65.4	128.5	-177.6	26.5	-32	0	0	0	108.1	D66 A67	P64-D66 PolarHBondContact O-N 3.33Å; P64-A67 HydrophobicContact CG-CB 4.12Å; P64-A67 WeakPolarHBondContact O-CB 3.35Å; P64-A67 PolarHBondContact O-N 2.87Å
65	A	53.3	Low	60	Low	76 Å²	76	93 Å²	93	63%	0.628	54%	0.535	S	S	*	.	H	α-helix	trans	-51.2	-29.8	178.8	0	0	0	0	0	112.5	Q63 A67 L68 E69	Q63-A65 PolarHBondContact O-N 3.3Å; A65-A67 VanDerWaalsContact C-N 3.32Å; A65-A67 PolarHBondContact O-N 3.08Å; A65-L68 PolarHBondContact O-N 3.46Å; A65-E69 PolarHBondContact O-N 3.1Å
66	D	51.6	Low	63	Low	122 Å²	122	84.9 Å²	84.9	65%	0.652	50%	0.496	S	S	*	.	H	α-helix	trans	-53.9	-40.5	171.7	-99.3	-17.2	0	0	0	113.6	P64 L68 E69 E70	P64-D66 PolarHBondContact O-N 3.33Å; D66-L68 PolarHBondContact O-N 2.8Å; D66-E69 PolarHBondContact O-N 3.04Å; D66-E70 PolarHBondContact O-N 3.43Å
67	A	57.1	Low	65.8	Low	45 Å²	45	76 Å²	76	37%	0.372	46%	0.458	S	S	.	.	H	α-helix	trans	-70	-20.4	-175.7	0	0	0	0	0	113.4	P64 A65	P64-A67 HydrophobicContact CG-CB 4.12Å; P64-A67 WeakPolarHBondContact O-CB 3.35Å; P64-A67 PolarHBondContact O-N 2.87Å; A65-A67 VanDerWaalsContact C-N 3.32Å; A65-A67 PolarHBondContact O-N 3.08Å
68	L	59.3	Low	69.2	Low	55 Å²	55	72.3 Å²	72.3	29%	0.288	42%	0.42	S	S	.	.	H	α-helix	trans	-87.1	-24.6	175.3	-76.8	160.4	0	0	0	112.3	A65 D66 E70 A148	A65-L68 PolarHBondContact O-N 3.46Å; D66-L68 PolarHBondContact O-N 2.8Å; L68-E70 VanDerWaalsContact C-N 3.26Å; L68-A148 HydrophobicContact CD2-CB 4.18Å
69	E	65.9	Low	72.3	Confident	107 Å²	107	68.4 Å²	68.4	50%	0.5	39%	0.394	S	S	.	.	H	α-helix	trans	-73.4	-20.4	174.5	-67.8	-164.3	166.6	0	0	112.6	A65 D66	A65-E69 PolarHBondContact O-N 3.1Å; D66-E69 PolarHBondContact O-N 3.04Å
70	E	86.6	Confident	74.9	Confident	116 Å²	116	64.5 Å²	64.5	54%	0.542	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	2.9	178.9	-65.1	-164.3	142.6	0	0	114.9	D66 L68 H97	D66-E70 PolarHBondContact O-N 3.43Å; L68-E70 VanDerWaalsContact C-N 3.26Å; E70-H97 VanDerWaalsContact O-CB 3.32Å; E70-H97 WeakPolarHBondContact O-CB 3.47Å; E70-H97 PolarHBondContact O-ND1 2.82Å
71	K	97.1	Very high	77.6	Confident	81 Å²	81	61.1 Å²	61.1	35%	0.352	34%	0.335	S	S	.	.			trans	-129.1	162	-177.1	-63.8	-172.5	177.7	-180	0	113	H97 Q99 T149	K71-H97 WeakPolarHBondContact CA-O 3.2Å; K71-H97 WeakPolarHBondContact CB-O 3.43Å; K71-Q99 HydrophobicContact CB-CB 4.17Å; K71-Q99 HydrophobicContact CD-CB 4.15Å; K71-T149 HydrophobicContact CB-CG2 4.01Å
72	F	98.6	Very high	79.9	Confident	1 Å²	1	53.3 Å²	53.3	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.2	176.1	64.9	-92.7	0	0	0	112.5	V74 V95 P96 H97 L98 Q99 A151 L153 I166 F170 F223	F72-V74 HydrophobicContact CD2-CG2 4.16Å; F72-V74 HydrophobicContact CE2-CG2 3.82Å; F72-V95 HydrophobicContact CE1-CG1 4.48Å; F72-V95 HydrophobicContact CZ-CG1 3.73Å; F72-P96 WeakPolarHBondContact CE1-O 3.32Å; F72-H97 HydrophobicContact CD1-CB 4.08Å; F72-H97 HydrophobicContact CE1-CB 3.92Å; F72-H97 PolarHBondContact N-O 3.38Å; F72-L98 HydrophobicContact CD2-CD1 3.98Å; F72-L98 HydrophobicContact CE2-CB 4.32Å; F72-L98 HydrophobicContact CE2-CD1 3.73Å; F72-L98 HydrophobicContact CZ-CB 4.23Å; F72-L98 HydrophobicContact CZ-CD1 4.46Å; F72-Q99 PolarHBondContact O-N 2.98Å; F72-A151 WeakPolarHBondContact CA-O 3.48Å; F72-A151 HydrophobicContact CB-CB 3.75Å; F72-L153 HydrophobicContact CD2-CB 3.97Å; F72-L153 HydrophobicContact CE2-CB 4.22Å; F72-L153 HydrophobicContact CE2-CD2 3.97Å; F72-I166 HydrophobicContact CE1-CG2 4.48Å; F72-I166 HydrophobicContact CE2-CG2 4.37Å; F72-I166 HydrophobicContact CZ-CG2 3.81Å; F72-F170 HydrophobicContact CB-CD2 4.34Å; F72-F170 HydrophobicContact CB-CE2 3.98Å; F72-F170 HydrophobicContact CB-CZ 4.45Å; F72-F170 AromaticContact CD1-CD1 3.98Å; F72-F170 HydrophobicContact CD1-CD1 3.98Å; F72-F170 AromaticContact CD1-CD2 3.91Å; F72-F170 HydrophobicContact CD1-CD2 3.91Å; F72-F170 HydrophobicContact CD1-CE1 4.02Å; F72-F170 AromaticContact CD1-CE2 3.98Å; F72-F170 HydrophobicContact CD1-CE2 3.98Å; F72-F170 AromaticContact CD1-CG 3.93Å; F72-F170 HydrophobicContact CD1-CG 3.93Å; F72-F170 HydrophobicContact CD1-CZ 4.03Å; F72-F170 HydrophobicContact CE1-CD1 4.25Å; F72-F170 HydrophobicContact CE1-CG 4.29Å; F72-F170 HydrophobicContact CG-CD2 4.44Å; F72-F170 HydrophobicContact CG-CE2 4.42Å; F72-F223 HydrophobicContact CB-CE1 3.85Å; F72-F223 AromaticContact CD1-CE1 3.94Å; F72-F223 HydrophobicContact CD1-CE1 3.94Å; F72-F223 HydrophobicContact CD1-CZ 4.21Å; F72-F223 AromaticContact CD2-CE1 3.72Å; F72-F223 HydrophobicContact CD2-CE1 3.72Å; F72-F223 HydrophobicContact CD2-CZ 4.13Å; F72-F223 HydrophobicContact CE1-CE1 4.4Å; F72-F223 HydrophobicContact CE1-CZ 4.22Å; F72-F223 HydrophobicContact CE2-CE1 4.19Å; F72-F223 HydrophobicContact CE2-CZ 4.12Å; F72-F223 AromaticContact CG-CE1 3.58Å; F72-F223 HydrophobicContact CG-CE1 3.58Å; F72-F223 HydrophobicContact CG-CZ 4.17Å; F72-F223 HydrophobicContact CZ-CZ 4.18Å
73	T	98.8	Very high	82.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.4	173.2	-71.4	0	0	0	0	109.3	M100 I102 I147 T149 A151 V152 L153	T73-M100 WeakPolarHBondContact CA-O 3.3Å; T73-M100 HydrophobicContact CG2-CG 3.72Å; T73-M100 HydrophobicContact CG2-SD 4.42Å; T73-M100 WeakPolarHBondContact OG1-CG 3.45Å; T73-I102 HydrophobicContact CG2-CD1 4.24Å; T73-I102 HydrophobicContact CG2-CG1 4.17Å; T73-I147 HydrophobicContact CG2-CG1 4.24Å; T73-T149 WeakPolarHBondContact CB-OG1 3.43Å; T73-T149 PolarHBondContact N-OG1 3.35Å; T73-T149 VanDerWaalsContact N-OG1 3.1Å; T73-T149 PolarHBondContact OG1-OG1 3.24Å; T73-T149 VanDerWaalsContact OG1-OG1 3.08Å; T73-A151 PolarHBondContact N-O 2.85Å; T73-V152 CarbonylContact O-C 3.58Å; T73-V152 WeakPolarHBondContact O-CA 3.35Å; T73-L153 PolarHBondContact O-N 2.85Å
74	V	98.9	Very high	85.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138	172	169.5	0	0	0	0	110	F72 I76 L98 M100 I101 I102 L153 L155	F72-V74 HydrophobicContact CD2-CG2 4.16Å; F72-V74 HydrophobicContact CE2-CG2 3.82Å; V74-I76 HydrophobicContact CG1-CD1 3.89Å; V74-I76 HydrophobicContact CG1-CG1 3.72Å; V74-L98 HydrophobicContact CB-CD1 4.08Å; V74-L98 HydrophobicContact CG2-CD1 3.51Å; V74-M100 PolarHBondContact N-O 3.34Å; V74-I101 HydrophobicContact CB-CB 4.47Å; V74-I101 HydrophobicContact CB-CG1 4.18Å; V74-I101 HydrophobicContact CB-CG2 4.21Å; V74-I101 HydrophobicContact CG1-CG2 4Å; V74-I101 CarbonylContact O-C 3.55Å; V74-I101 WeakPolarHBondContact O-CA 3.48Å; V74-I102 PolarHBondContact O-N 3.25Å; V74-L153 CarbonylContact C-O 3.52Å; V74-L153 VanDerWaalsContact CA-O 3.24Å; V74-L153 WeakPolarHBondContact CA-O 3.25Å; V74-L153 HydrophobicContact CG2-CB 4.03Å; V74-L153 HydrophobicContact CG2-CD2 4.01Å; V74-L153 HydrophobicContact CG2-CG 4.24Å; V74-L155 HydrophobicContact CG1-CD1 4.13Å
75	I	98.9	Very high	87.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.2	167.3	-58.6	178.8	0	0	0	108.4	I102 V104 R140 I147 V152 L153 M154 L155 L229	I75-I102 WeakPolarHBondContact CA-O 3.3Å; I75-I102 HydrophobicContact CG1-CB 4.39Å; I75-V104 HydrophobicContact CG2-CG2 3.9Å; I75-R140 HydrophobicContact CG2-CB 4.15Å; I75-I147 HydrophobicContact CD1-CD1 3.75Å; I75-I147 HydrophobicContact CG1-CD1 4.48Å; I75-V152 HydrophobicContact CB-CG1 4.46Å; I75-V152 HydrophobicContact CD1-CG1 3.59Å; I75-V152 HydrophobicContact CG1-CG1 3.82Å; I75-L153 PolarHBondContact N-O 3.16Å; I75-M154 HydrophobicContact CB-CE 4.49Å; I75-M154 HydrophobicContact CD1-CE 4.48Å; I75-M154 HydrophobicContact CG2-CE 4.35Å; I75-M154 WeakPolarHBondContact O-CA 3.49Å; I75-L155 PolarHBondContact O-N 3.4Å; I75-L155 VanDerWaalsContact O-N 3.07Å; I75-L229 HydrophobicContact CD1-CD1 4.12Å; I75-L229 HydrophobicContact CD1-CD2 4.44Å
76	I	98.9	Very high	89.9	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.1	172.6	-62	165.9	0	0	0	108	V74 L85 L89 Y92 I101 I102 V103 V104 L155 D157	V74-I76 HydrophobicContact CG1-CD1 3.89Å; V74-I76 HydrophobicContact CG1-CG1 3.72Å; I76-L85 HydrophobicContact CB-CD1 4.44Å; I76-L85 HydrophobicContact CG2-CD1 3.83Å; I76-L89 HydrophobicContact CD1-CD2 4.48Å; I76-Y92 HydrophobicContact CD1-CD2 3.88Å; I76-Y92 HydrophobicContact CD1-CE2 4.21Å; I76-I101 HydrophobicContact CD1-CG2 4.4Å; I76-I102 PolarHBondContact N-O 3.29Å; I76-V103 CarbonylContact O-C 3.51Å; I76-V103 WeakPolarHBondContact O-CA 3.3Å; I76-V104 PolarHBondContact O-N 2.94Å; I76-L155 HydrophobicContact CG1-CB 4.1Å; I76-D157 HydrophobicContact CG2-CB 3.84Å
77	Q	98.8	Very high	92.1	Very high	18 Å²	18	38.5 Å²	38.5	8%	0.084	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129	169.7	-179.4	171.2	-80.1	0	0	109.5	V104 Q136 M137 R140 D157	Q77-V104 WeakPolarHBondContact CA-O 3.45Å; Q77-V104 HydrophobicContact CB-CB 3.98Å; Q77-V104 HydrophobicContact CB-CG1 4.4Å; Q77-V104 HydrophobicContact CG-CB 4.12Å; Q77-V104 HydrophobicContact CG-CG1 4.05Å; Q77-Q136 PolarHBondContact OE1-O 3.36Å; Q77-M137 PolarHBondContact NE2-O 3.19Å; Q77-M137 VanDerWaalsContact NE2-O 3.17Å; Q77-M137 PolarHBondContact OE1-O 2.98Å; Q77-R140 HydrophobicContact CB-CB 3.96Å; Q77-D157 WeakPolarHBondContact O-CB 3.15Å
78	T	98.3	Very high	94.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.9	-178.6	-167.8	0	0	0	0	113.6	L85 V103 V104 W105 N106 D157	T78-L85 HydrophobicContact CG2-CD2 3.71Å; T78-V103 HydrophobicContact CG2-CG1 4.14Å; T78-V104 PolarHBondContact N-O 3.18Å; T78-W105 HydrophobicContact CG2-CD2 4.4Å; T78-W105 HydrophobicContact CG2-CE3 3.37Å; T78-W105 HydrophobicContact CG2-CZ3 3.66Å; T78-N106 WeakPolarHBondContact O-CB 3.42Å; T78-N106 PolarHBondContact O-N 3.22Å; T78-D157 WeakPolarHBondContact CA-OD2 3.38Å; T78-D157 WeakPolarHBondContact CB-OD2 3.49Å; T78-D157 PolarHBondContact OG1-OD2 3.43Å
79	Y	97.9	Very high	96	Very high	77 Å²	77	33.8 Å²	33.8	30%	0.302	16%	0.159	S	C	.	.	S	Bend	trans	-147.3	123.7	170.7	-179.3	-106.7	0	0	0	110.1	R81 N106 N107 N135 D157 Y295	Y79-R81 PolarHBondContact O-N 2.92Å; Y79-R81 VanDerWaalsContact O-N 3.15Å; Y79-N106 HydrophobicContact CD2-CB 4.32Å; Y79-N106 WeakPolarHBondContact CD2-O 3.38Å; Y79-N107 WeakPolarHBondContact CA-OD1 3.4Å; Y79-N107 WeakPolarHBondContact CD2-OD1 3.42Å; Y79-N135 WeakPolarHBondContact CD2-ND2 3.17Å; Y79-N135 HydrophobicContact CE2-CB 4.48Å; Y79-N135 VanDerWaalsContact CE2-ND2 3.32Å; Y79-N135 WeakPolarHBondContact CE2-ND2 3.46Å; Y79-D157 PolarHBondContact N-OD2 2.75Å; Y79-Y295 HydrophobicContact CD1-CD2 4.49Å; Y79-Y295 HydrophobicContact CD1-CE1 4.22Å; Y79-Y295 AromaticContact CD1-CE2 3.9Å; Y79-Y295 HydrophobicContact CD1-CE2 3.9Å; Y79-Y295 AromaticContact CD1-CZ 3.75Å; Y79-Y295 HydrophobicContact CE1-CD2 4.29Å; Y79-Y295 AromaticContact CE1-CE2 3.68Å; Y79-Y295 HydrophobicContact CE1-CE2 3.68Å; Y79-Y295 AromaticContact CE1-CZ 3.98Å
80	N	96.5	Very high	97.5	Very high	47 Å²	47	33.7 Å²	33.7	25%	0.251	16%	0.162	S	C	.	.	S	Bend	trans	51.5	30.8	-179.9	-81.8	-48.3	0	0	0	115	N107 S293 Y295	N80-N107 PolarHBondContact N-OD1 2.89Å; N80-S293 WeakPolarHBondContact O-CB 3.43Å; N80-S293 PolarHBondContact O-OG 3.12Å; N80-Y295 HydrophobicContact CB-CD1 4.48Å; N80-Y295 HydrophobicContact CB-CD2 4.16Å; N80-Y295 HydrophobicContact CB-CG 3.91Å
81	R	97	Very high	98.1	Very high	12 Å²	12	30.6 Å²	30.6	5%	0.045	15%	0.147	C	C	.	.			trans	-139.9	35.9	-178.9	-68.8	169.3	168.7	178.6	-10.7	112.8	Y79 D83 I84 L85 D157 D158 A291 Y295	Y79-R81 PolarHBondContact O-N 2.92Å; Y79-R81 VanDerWaalsContact O-N 3.15Å; R81-D83 PolarHBondContact O-N 3.42Å; R81-I84 HydrophobicContact CB-CB 4.41Å; R81-I84 PolarHBondContact O-N 3.11Å; R81-L85 PolarHBondContact O-N 3.46Å; R81-D157 WeakPolarHBondContact CB-OD2 3.35Å; R81-D157 WeakPolarHBondContact CD-OD1 3.36Å; R81-D157 WeakPolarHBondContact CD-OD2 3.33Å; R81-D157 IonicContact CZ-OD1 2.88Å; R81-D157 IonicContact NE-OD1 3.11Å; R81-D157 IonicContact NH1-OD1 3.38Å; R81-D157 PolarHBondContact NH1-OD1 2.88Å; R81-D158 IonicContact CZ-OD2 2.75Å; R81-D158 IonicContact NH1-OD1 3.49Å; R81-D158 IonicContact NH1-OD2 3.03Å; R81-D158 PolarHBondContact NH1-OD2 2.88Å; R81-D158 IonicContact NH2-OD2 3.9Å; R81-D158 PolarHBondContact NH2-OD2 2.79Å; R81-A291 HydrophobicContact CG-CB 4.17Å; R81-Y295 HydrophobicContact CG-CD1 4.5Å
82	T	97.4	Very high	98.2	Very high	38 Å²	38	26.8 Å²	26.8	23%	0.233	13%	0.13	C	C	.	.	H	α-helix	trans	-55.9	-35.9	-174.6	-50.3	0	0	0	0	113.3	L85 L86 W105 P113	T82-L85 PolarHBondContact O-N 2.97Å; T82-L86 WeakPolarHBondContact O-CG 3.49Å; T82-L86 PolarHBondContact O-N 3.38Å; T82-W105 HydrophobicContact CG2-CH2 3.94Å; T82-W105 HydrophobicContact CG2-CZ3 4.19Å; T82-W105 WeakPolarHBondContact OG1-CH2 3.33Å; T82-P113 HydrophobicContact CG2-CB 4.19Å; T82-P113 HydrophobicContact CG2-CG 4.07Å
83	D	96.6	Very high	98.2	Very high	55 Å²	55	27.7 Å²	27.7	29%	0.294	14%	0.135	S	C	.	.	H	α-helix	trans	-67.2	-40.8	177	63.2	-46.9	0	0	0	112.6	R81 K87 G292	R81-D83 PolarHBondContact O-N 3.42Å; D83-K87 WeakPolarHBondContact O-CG 3.43Å; D83-K87 PolarHBondContact O-N 3.4Å; D83-G292 PolarHBondContact OD2-N 3.12Å
84	I	97.8	Very high	98.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-69.6	-42.9	173.6	-56.4	-53.3	0	0	0	110.5	R81 L86 K87 L88 D157 L287 D290 A291	R81-I84 HydrophobicContact CB-CB 4.41Å; R81-I84 PolarHBondContact O-N 3.11Å; I84-L86 VanDerWaalsContact C-N 3.3Å; I84-L86 PolarHBondContact O-N 2.96Å; I84-K87 HydrophobicContact CD1-CD 4.17Å; I84-K87 WeakPolarHBondContact O-CB 3.47Å; I84-K87 PolarHBondContact O-N 2.88Å; I84-K87 VanDerWaalsContact O-N 3.09Å; I84-L88 HydrophobicContact CG2-CD1 4.02Å; I84-L88 HydrophobicContact CG2-CG 4.1Å; I84-L88 WeakPolarHBondContact O-CG 3.34Å; I84-L88 PolarHBondContact O-N 2.91Å; I84-D157 WeakPolarHBondContact CG2-O 3.43Å; I84-L287 HydrophobicContact CG2-CB 4.04Å; I84-L287 HydrophobicContact CG2-CD1 4.22Å; I84-D290 HydrophobicContact CD1-CB 3.79Å; I84-A291 HydrophobicContact CG1-CB 3.8Å
85	L	98.5	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-52.2	-49.2	174.9	172.2	67	0	0	0	110.9	I76 T78 R81 T82 K87 L88 L89 V103 W105 F129	I76-L85 HydrophobicContact CB-CD1 4.44Å; I76-L85 HydrophobicContact CG2-CD1 3.83Å; T78-L85 HydrophobicContact CG2-CD2 3.71Å; R81-L85 PolarHBondContact O-N 3.46Å; T82-L85 PolarHBondContact O-N 2.97Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3Å; L85-L89 HydrophobicContact CD1-CD1 4.14Å; L85-L89 HydrophobicContact CD1-CD2 4.3Å; L85-L89 HydrophobicContact CD1-CG 3.92Å; L85-L89 HydrophobicContact CD2-CD1 4.47Å; L85-L89 HydrophobicContact CG-CD1 3.99Å; L85-L89 HydrophobicContact CG-CG 4.19Å; L85-L89 WeakPolarHBondContact O-CB 3.47Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.84Å; L85-V103 HydrophobicContact CD1-CG1 4.29Å; L85-V103 HydrophobicContact CD1-CG2 4.27Å; L85-V103 HydrophobicContact CD2-CG1 3.66Å; L85-W105 HydrophobicContact CD2-CZ3 4.31Å; L85-F129 HydrophobicContact CD2-CE1 4.44Å
86	L	98.3	Very high	97.9	Very high	40 Å²	40	34.3 Å²	34.3	21%	0.209	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-38.3	-179.7	-70.9	170.6	0	0	0	112.5	T82 I84 L89 N90 P113 L116 W117	T82-L86 WeakPolarHBondContact O-CG 3.49Å; T82-L86 PolarHBondContact O-N 3.38Å; I84-L86 VanDerWaalsContact C-N 3.3Å; I84-L86 PolarHBondContact O-N 2.96Å; L86-L89 HydrophobicContact CD2-CD1 4.49Å; L86-N90 PolarHBondContact O-N 3.03Å; L86-P113 HydrophobicContact CD2-CB 4.25Å; L86-P113 HydrophobicContact CD2-CG 4.36Å; L86-L116 HydrophobicContact CD1-CD2 3.9Å; L86-W117 HydrophobicContact CD2-CE3 4.07Å
87	K	98	Very high	97.8	Very high	113 Å²	113	38.4 Å²	38.4	49%	0.491	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-44.3	173.3	-67.5	169.9	-173.6	167.9	0	111.4	D83 I84 L85 N90 H91	D83-K87 WeakPolarHBondContact O-CG 3.43Å; D83-K87 PolarHBondContact O-N 3.4Å; I84-K87 HydrophobicContact CD1-CD 4.17Å; I84-K87 WeakPolarHBondContact O-CB 3.47Å; I84-K87 PolarHBondContact O-N 2.88Å; I84-K87 VanDerWaalsContact O-N 3.09Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.36Å; K87-N90 PolarHBondContact O-N 2.85Å; K87-H91 PolarHBondContact O-N 3.24Å
88	L	98.6	Very high	97.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-43.8	178.2	-70.2	-178.9	0	0	0	111.7	I84 L85 N90 H91 Y92 D157 L160 L287	I84-L88 HydrophobicContact CG2-CD1 4.02Å; I84-L88 HydrophobicContact CG2-CG 4.1Å; I84-L88 WeakPolarHBondContact O-CG 3.34Å; I84-L88 PolarHBondContact O-N 2.91Å; L85-L88 PolarHBondContact O-N 3Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.48Å; L88-H91 PolarHBondContact O-N 3.14Å; L88-H91 VanDerWaalsContact O-N 3.12Å; L88-Y92 HydrophobicContact CB-CD2 3.97Å; L88-Y92 HydrophobicContact CB-CE2 3.8Å; L88-Y92 HydrophobicContact CD1-CE2 4.43Å; L88-Y92 HydrophobicContact CD2-CE2 3.9Å; L88-Y92 HydrophobicContact CG-CE2 4.25Å; L88-Y92 WeakPolarHBondContact O-CB 3.31Å; L88-Y92 WeakPolarHBondContact O-CD2 3.46Å; L88-Y92 PolarHBondContact O-N 3.42Å; L88-D157 VanDerWaalsContact CD1-C 3.48Å; L88-D157 VanDerWaalsContact CD1-O 3.29Å; L88-D157 WeakPolarHBondContact CD1-O 3.5Å; L88-L160 HydrophobicContact CD2-CB 3.95Å; L88-L160 HydrophobicContact CD2-CD1 3.92Å; L88-L287 HydrophobicContact CD2-CD1 3.92Å
89	L	98.7	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-40.7	175	-71	177.2	0	0	0	111.3	I76 L85 L86 H91 Y92 Q93 I101 V103 W117 V127 F129	I76-L89 HydrophobicContact CD1-CD2 4.48Å; L85-L89 HydrophobicContact CD1-CD1 4.14Å; L85-L89 HydrophobicContact CD1-CD2 4.3Å; L85-L89 HydrophobicContact CD1-CG 3.92Å; L85-L89 HydrophobicContact CD2-CD1 4.47Å; L85-L89 HydrophobicContact CG-CD1 3.99Å; L85-L89 HydrophobicContact CG-CG 4.19Å; L85-L89 WeakPolarHBondContact O-CB 3.47Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.84Å; L86-L89 HydrophobicContact CD2-CD1 4.49Å; L89-H91 VanDerWaalsContact C-N 3.3Å; L89-H91 PolarHBondContact O-N 3.14Å; L89-Y92 PolarHBondContact O-N 2.89Å; L89-Q93 VanDerWaalsContact O-CB 3.3Å; L89-Q93 WeakPolarHBondContact O-CB 3.47Å; L89-Q93 VanDerWaalsContact O-CG 3.31Å; L89-Q93 WeakPolarHBondContact O-CG 3.31Å; L89-Q93 PolarHBondContact O-N 3.33Å; L89-I101 HydrophobicContact CD2-CB 4.42Å; L89-I101 HydrophobicContact CD2-CD1 3.82Å; L89-I101 HydrophobicContact CD2-CG2 3.74Å; L89-V103 HydrophobicContact CD1-CG2 4.34Å; L89-V103 HydrophobicContact CD2-CG2 3.98Å; L89-W117 HydrophobicContact CB-CE3 4.31Å; L89-W117 HydrophobicContact CB-CH2 3.58Å; L89-W117 HydrophobicContact CB-CZ2 4.33Å; L89-W117 HydrophobicContact CB-CZ3 3.56Å; L89-W117 HydrophobicContact CD1-CD2 4.46Å; L89-W117 HydrophobicContact CD1-CE3 4.16Å; L89-W117 HydrophobicContact CD1-CZ3 4.24Å; L89-V127 HydrophobicContact CD1-CG1 4.25Å; L89-V127 HydrophobicContact CD2-CG1 4.06Å; L89-V127 HydrophobicContact CD2-CG2 4.42Å; L89-F129 HydrophobicContact CD1-CZ 4.28Å
90	N	98.3	Very high	97.7	Very high	105 Å²	105	38.6 Å²	38.6	56%	0.561	21%	0.207	S	C	*	.	H	α-helix	trans	-62	-36.8	176.5	-177.4	60.1	0	0	0	113.2	L86 K87 L88 Q93	L86-N90 PolarHBondContact O-N 3.03Å; K87-N90 PolarHBondContact O-N 2.85Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.48Å; N90-Q93 WeakPolarHBondContact O-CG 3.33Å; N90-Q93 PolarHBondContact O-NE2 2.8Å; N90-Q93 PolarHBondContact OD1-NE2 2.84Å; N90-Q93 VanDerWaalsContact OD1-NE2 3.11Å
91	H	98.5	Very high	97.9	Very high	51 Å²	51	36.4 Å²	36.4	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-73.8	-50.7	175.2	171.6	80.6	0	0	0	111.9	K87 L88 L89 Q93 A94 L160 V161	K87-H91 PolarHBondContact O-N 3.24Å; L88-H91 PolarHBondContact O-N 3.14Å; L88-H91 VanDerWaalsContact O-N 3.12Å; L89-H91 VanDerWaalsContact C-N 3.3Å; L89-H91 PolarHBondContact O-N 3.14Å; H91-Q93 PolarHBondContact O-N 3.06Å; H91-A94 PolarHBondContact O-N 2.78Å; H91-L160 HydrophobicContact CB-CD1 4.08Å; H91-L160 WeakPolarHBondContact CD2-CD1 3.23Å; H91-V161 PolarHBondContact NE2-O 2.67Å
92	Y	98.6	Very high	97.9	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-71	-31.6	-172.3	-66.6	-50.1	0	0	0	113.5	I76 L88 L89 A94 V95 L98 L155 T159 L160 V161 I166	I76-Y92 HydrophobicContact CD1-CD2 3.88Å; I76-Y92 HydrophobicContact CD1-CE2 4.21Å; L88-Y92 HydrophobicContact CB-CD2 3.97Å; L88-Y92 HydrophobicContact CB-CE2 3.8Å; L88-Y92 HydrophobicContact CD1-CE2 4.43Å; L88-Y92 HydrophobicContact CD2-CE2 3.9Å; L88-Y92 HydrophobicContact CG-CE2 4.25Å; L88-Y92 WeakPolarHBondContact O-CB 3.31Å; L88-Y92 WeakPolarHBondContact O-CD2 3.46Å; L88-Y92 PolarHBondContact O-N 3.42Å; L89-Y92 PolarHBondContact O-N 2.89Å; Y92-A94 PolarHBondContact O-N 3.35Å; Y92-V95 HydrophobicContact CD1-CG2 4.23Å; Y92-V95 WeakPolarHBondContact O-CB 3.44Å; Y92-V95 WeakPolarHBondContact O-CG2 3.49Å; Y92-V95 PolarHBondContact O-N 3.32Å; Y92-L98 WeakPolarHBondContact O-CD2 3.38Å; Y92-L155 HydrophobicContact CD1-CD1 4.15Å; Y92-L155 HydrophobicContact CD2-CD1 4.13Å; Y92-L155 HydrophobicContact CE1-CD1 3.73Å; Y92-L155 HydrophobicContact CE2-CD1 3.66Å; Y92-L155 HydrophobicContact CG-CD1 4.37Å; Y92-L155 VanDerWaalsContact CZ-CD1 3.45Å; Y92-T159 PolarHBondContact OH-O 2.96Å; Y92-L160 WeakPolarHBondContact OH-CA 3.45Å; Y92-V161 PolarHBondContact OH-N 3.46Å; Y92-I166 HydrophobicContact CD1-CD1 3.8Å; Y92-I166 HydrophobicContact CE1-CD1 3.57Å
93	Q	97.9	Very high	98	Very high	21 Å²	21	34 Å²	34	10%	0.098	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.7	178.8	69.8	178.9	-31.9	0	0	113.7	L89 N90 H91 H123 P124 V125	L89-Q93 VanDerWaalsContact O-CB 3.3Å; L89-Q93 WeakPolarHBondContact O-CB 3.47Å; L89-Q93 VanDerWaalsContact O-CG 3.31Å; L89-Q93 WeakPolarHBondContact O-CG 3.31Å; L89-Q93 PolarHBondContact O-N 3.33Å; N90-Q93 WeakPolarHBondContact O-CG 3.33Å; N90-Q93 PolarHBondContact O-NE2 2.8Å; N90-Q93 PolarHBondContact OD1-NE2 2.84Å; N90-Q93 VanDerWaalsContact OD1-NE2 3.11Å; H91-Q93 PolarHBondContact O-N 3.06Å; Q93-H123 PolarHBondContact OE1-ND1 3.46Å; Q93-P124 HydrophobicContact CG-CG 4.35Å; Q93-P124 WeakPolarHBondContact O-CB 3.48Å; Q93-V125 HydrophobicContact CB-CG2 4.12Å
94	A	96.8	Very high	98.1	Very high	71 Å²	71	31.4 Å²	31.4	59%	0.587	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	1	-178.3	0	0	0	0	0	113.7	H91 Y92	H91-A94 PolarHBondContact O-N 2.78Å; Y92-A94 PolarHBondContact O-N 3.35Å
95	V	97.9	Very high	98.2	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.055	17%	0.168	C	C	.	.			trans	-71.2	132.4	-176.7	179.1	0	0	0	0	110.4	F72 Y92 L98 V163 I166	F72-V95 HydrophobicContact CE1-CG1 4.48Å; F72-V95 HydrophobicContact CZ-CG1 3.73Å; Y92-V95 HydrophobicContact CD1-CG2 4.23Å; Y92-V95 WeakPolarHBondContact O-CB 3.44Å; Y92-V95 WeakPolarHBondContact O-CG2 3.49Å; Y92-V95 PolarHBondContact O-N 3.32Å; V95-L98 VanDerWaalsContact O-CB 3.3Å; V95-L98 WeakPolarHBondContact O-CB 3.27Å; V95-L98 PolarHBondContact O-N 2.84Å; V95-V163 HydrophobicContact CG1-CG1 4.45Å; V95-V163 HydrophobicContact CG2-CG2 4.17Å; V95-I166 HydrophobicContact CG1-CB 4.32Å; V95-I166 HydrophobicContact CG1-CG2 3.74Å; V95-I166 HydrophobicContact CG2-CD1 4.17Å
96	P	95.9	Very high	98.2	Very high	60 Å²	60	31.6 Å²	31.6	39%	0.39	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	147.8	174.8	-25.1	34.7	0	0	0	112.3	F72 L98 V163	F72-P96 WeakPolarHBondContact CE1-O 3.32Å; P96-L98 PolarHBondContact O-N 2.95Å; P96-L98 VanDerWaalsContact O-N 3.11Å; P96-V163 HydrophobicContact CG-CG1 4.37Å
97	H	96.8	Very high	98.1	Very high	86 Å²	86	29.9 Å²	29.9	40%	0.398	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	1.2	179.4	-54.4	-78	0	0	0	116.1	E70 K71 F72 Q99 F170	E70-H97 VanDerWaalsContact O-CB 3.32Å; E70-H97 WeakPolarHBondContact O-CB 3.47Å; E70-H97 PolarHBondContact O-ND1 2.82Å; K71-H97 WeakPolarHBondContact CA-O 3.2Å; K71-H97 WeakPolarHBondContact CB-O 3.43Å; F72-H97 HydrophobicContact CD1-CB 4.08Å; F72-H97 HydrophobicContact CE1-CB 3.92Å; F72-H97 PolarHBondContact N-O 3.38Å; H97-Q99 PolarHBondContact O-N 3.46Å; H97-F170 HydrophobicContact CB-CD1 4.25Å; H97-F170 HydrophobicContact CB-CE1 3.84Å
98	L	98.3	Very high	98.1	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.068	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.7	171.6	-177.9	60.3	0	0	0	110.3	F72 V74 Y92 V95 P96 M100 I101 V125	F72-L98 HydrophobicContact CD2-CD1 3.98Å; F72-L98 HydrophobicContact CE2-CB 4.32Å; F72-L98 HydrophobicContact CE2-CD1 3.73Å; F72-L98 HydrophobicContact CZ-CB 4.23Å; F72-L98 HydrophobicContact CZ-CD1 4.46Å; V74-L98 HydrophobicContact CB-CD1 4.08Å; V74-L98 HydrophobicContact CG2-CD1 3.51Å; Y92-L98 WeakPolarHBondContact O-CD2 3.38Å; V95-L98 VanDerWaalsContact O-CB 3.3Å; V95-L98 WeakPolarHBondContact O-CB 3.27Å; V95-L98 PolarHBondContact O-N 2.84Å; P96-L98 PolarHBondContact O-N 2.95Å; P96-L98 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact CD1-O 3.27Å; L98-M100 WeakPolarHBondContact CD1-O 3.29Å; L98-I101 HydrophobicContact CD1-CG1 4.41Å; L98-I101 HydrophobicContact CD2-CD1 4.03Å; L98-I101 HydrophobicContact CD2-CG1 3.85Å; L98-V125 HydrophobicContact CB-CG1 4.44Å; L98-V125 HydrophobicContact CD2-CG1 4.46Å; L98-V125 HydrophobicContact CD2-CG2 3.77Å; L98-V125 HydrophobicContact CG-CG1 4.21Å; L98-V125 HydrophobicContact CG-CG2 4.2Å; L98-V125 WeakPolarHBondContact O-CG1 3.43Å
99	Q	98	Very high	97.8	Very high	77 Å²	77	39.5 Å²	39.5	36%	0.36	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-47.1	174.5	177.2	61.6	18.7	0	0	111.5	K71 F72 H97 T149	K71-Q99 HydrophobicContact CB-CB 4.17Å; K71-Q99 HydrophobicContact CD-CB 4.15Å; F72-Q99 PolarHBondContact O-N 2.98Å; H97-Q99 PolarHBondContact O-N 3.46Å; Q99-T149 HydrophobicContact CB-CG2 3.77Å; Q99-T149 HydrophobicContact CG-CG2 4.12Å
100	M	98.1	Very high	97.7	Very high	11 Å²	11	44 Å²	44	5%	0.054	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	166.5	-178.5	67.7	174.7	-56.2	0	0	111.5	T73 V74 L98 I102 Q126 V128 E146	T73-M100 WeakPolarHBondContact CA-O 3.3Å; T73-M100 HydrophobicContact CG2-CG 3.72Å; T73-M100 HydrophobicContact CG2-SD 4.42Å; T73-M100 WeakPolarHBondContact OG1-CG 3.45Å; V74-M100 PolarHBondContact N-O 3.34Å; L98-M100 VanDerWaalsContact CD1-O 3.27Å; L98-M100 WeakPolarHBondContact CD1-O 3.29Å; M100-I102 HydrophobicContact CE-CD1 4.39Å; M100-I102 HydrophobicContact CE-CG1 3.81Å; M100-I102 HydrophobicContact SD-CG1 4.49Å; M100-Q126 WeakPolarHBondContact CA-O 3.47Å; M100-V128 HydrophobicContact CE-CB 4.05Å; M100-V128 HydrophobicContact CE-CG2 3.44Å; M100-V128 VanDerWaalsContact CE-CG2 3.44Å; M100-E146 HydrophobicContact CE-CB 3.79Å; M100-E146 HydrophobicContact CE-CG 4.44Å; M100-E146 HydrophobicContact SD-CB 3.89Å; M100-E146 VanDerWaalsContact SD-O 3.35Å
101	I	98.9	Very high	97.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.6	172.3	-51.3	-178.9	0	0	0	109.2	V74 I76 L89 L98 V103 V125 Q126 V127 V128	V74-I101 HydrophobicContact CB-CB 4.47Å; V74-I101 HydrophobicContact CB-CG1 4.18Å; V74-I101 HydrophobicContact CB-CG2 4.21Å; V74-I101 HydrophobicContact CG1-CG2 4Å; V74-I101 CarbonylContact O-C 3.55Å; V74-I101 WeakPolarHBondContact O-CA 3.48Å; I76-I101 HydrophobicContact CD1-CG2 4.4Å; L89-I101 HydrophobicContact CD2-CB 4.42Å; L89-I101 HydrophobicContact CD2-CD1 3.82Å; L89-I101 HydrophobicContact CD2-CG2 3.74Å; L98-I101 HydrophobicContact CD1-CG1 4.41Å; L98-I101 HydrophobicContact CD2-CD1 4.03Å; L98-I101 HydrophobicContact CD2-CG1 3.85Å; I101-V103 HydrophobicContact CG2-CG2 4.26Å; I101-V125 HydrophobicContact CG1-CG2 4.34Å; I101-Q126 PolarHBondContact N-O 2.84Å; I101-V127 HydrophobicContact CB-CG1 4.36Å; I101-V127 HydrophobicContact CB-CG2 4.18Å; I101-V127 HydrophobicContact CD1-CG2 4.29Å; I101-V127 HydrophobicContact CG1-CG2 4.49Å; I101-V127 CarbonylContact O-C 3.47Å; I101-V127 WeakPolarHBondContact O-CA 3.49Å; I101-V128 PolarHBondContact O-N 3.06Å
102	I	98.9	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.9	167.8	-61.3	-177.9	0	0	0	108.2	T73 V74 I75 I76 M100 V104 V128 K130 F144 E146 I147	T73-I102 HydrophobicContact CG2-CD1 4.24Å; T73-I102 HydrophobicContact CG2-CG1 4.17Å; V74-I102 PolarHBondContact O-N 3.25Å; I75-I102 WeakPolarHBondContact CA-O 3.3Å; I75-I102 HydrophobicContact CG1-CB 4.39Å; I76-I102 PolarHBondContact N-O 3.29Å; M100-I102 HydrophobicContact CE-CD1 4.39Å; M100-I102 HydrophobicContact CE-CG1 3.81Å; M100-I102 HydrophobicContact SD-CG1 4.49Å; I102-V104 HydrophobicContact CG2-CG2 4.26Å; I102-V128 WeakPolarHBondContact CA-O 3.01Å; I102-K130 HydrophobicContact CG2-CG 3.69Å; I102-F144 HydrophobicContact CD1-CB 3.79Å; I102-F144 HydrophobicContact CD1-CD2 4.1Å; I102-F144 HydrophobicContact CD1-CG 4.2Å; I102-F144 HydrophobicContact CG2-CD2 3.94Å; I102-F144 HydrophobicContact CG2-CE2 4.09Å; I102-F144 HydrophobicContact CG2-CG 4.4Å; I102-E146 HydrophobicContact CD1-CB 4.33Å; I102-I147 HydrophobicContact CD1-CD1 3.89Å; I102-I147 HydrophobicContact CD1-CG1 3.36Å
103	V	98.9	Very high	97.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.6	173.4	178.2	0	0	0	0	108.4	I76 T78 L85 L89 I101 W105 V127 V128 F129 K130	I76-V103 CarbonylContact O-C 3.51Å; I76-V103 WeakPolarHBondContact O-CA 3.3Å; T78-V103 HydrophobicContact CG2-CG1 4.14Å; L85-V103 HydrophobicContact CD1-CG1 4.29Å; L85-V103 HydrophobicContact CD1-CG2 4.27Å; L85-V103 HydrophobicContact CD2-CG1 3.66Å; L89-V103 HydrophobicContact CD1-CG2 4.34Å; L89-V103 HydrophobicContact CD2-CG2 3.98Å; I101-V103 HydrophobicContact CG2-CG2 4.26Å; V103-W105 PolarHBondContact O-N 3.37Å; V103-V127 HydrophobicContact CG2-CG1 3.72Å; V103-V128 PolarHBondContact N-O 3.4Å; V103-F129 HydrophobicContact CB-CD1 3.71Å; V103-F129 HydrophobicContact CB-CE1 4.01Å; V103-F129 HydrophobicContact CB-CG 4.39Å; V103-F129 HydrophobicContact CG1-CD1 3.71Å; V103-F129 HydrophobicContact CG1-CE1 3.94Å; V103-F129 HydrophobicContact CG2-CD1 4.19Å; V103-F129 HydrophobicContact CG2-CE1 4Å; V103-K130 PolarHBondContact O-N 3.11Å
104	V	98.9	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	106.3	174.8	-177.4	0	0	0	0	107.9	I75 I76 Q77 T78 I102 N106 Q132 N139 R140 F144	I75-V104 HydrophobicContact CG2-CG2 3.9Å; I76-V104 PolarHBondContact O-N 2.94Å; Q77-V104 WeakPolarHBondContact CA-O 3.45Å; Q77-V104 HydrophobicContact CB-CB 3.98Å; Q77-V104 HydrophobicContact CB-CG1 4.4Å; Q77-V104 HydrophobicContact CG-CB 4.12Å; Q77-V104 HydrophobicContact CG-CG1 4.05Å; T78-V104 PolarHBondContact N-O 3.18Å; I102-V104 HydrophobicContact CG2-CG2 4.26Å; V104-N106 PolarHBondContact O-N 3.05Å; V104-Q132 HydrophobicContact CG1-CG 3.7Å; V104-N139 HydrophobicContact CG1-CB 3.61Å; V104-R140 HydrophobicContact CG2-CB 4.43Å; V104-F144 HydrophobicContact CG2-CE2 3.66Å; V104-F144 HydrophobicContact CG2-CZ 3.75Å
105	W	98.8	Very high	97.6	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.019	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	102.6	-170.2	-177.5	-103	0	0	0	110.9	T78 T82 L85 V103 N107 E110 Q111 T112 P113 K130 Q132	T78-W105 HydrophobicContact CG2-CD2 4.4Å; T78-W105 HydrophobicContact CG2-CE3 3.37Å; T78-W105 HydrophobicContact CG2-CZ3 3.66Å; T82-W105 HydrophobicContact CG2-CH2 3.94Å; T82-W105 HydrophobicContact CG2-CZ3 4.19Å; T82-W105 WeakPolarHBondContact OG1-CH2 3.33Å; L85-W105 HydrophobicContact CD2-CZ3 4.31Å; V103-W105 PolarHBondContact O-N 3.37Å; W105-N107 HydrophobicContact CD2-CB 4.34Å; W105-N107 HydrophobicContact CH2-CB 4.33Å; W105-N107 WeakPolarHBondContact CH2-ND2 3.47Å; W105-N107 HydrophobicContact CZ2-CB 3.63Å; W105-N107 WeakPolarHBondContact CZ2-ND2 3.35Å; W105-N107 WeakPolarHBondContact CZ3-ND2 3.32Å; W105-N107 PolarHBondContact NE1-O 2.9Å; W105-E110 HydrophobicContact CZ2-CB 4.08Å; W105-E110 PolarHBondContact NE1-O 3.13Å; W105-Q111 WeakPolarHBondContact CZ2-O 3.42Å; W105-T112 HydrophobicContact CB-CG2 4.08Å; W105-T112 HydrophobicContact CD2-CG2 3.93Å; W105-T112 HydrophobicContact CG-CG2 3.65Å; W105-P113 HydrophobicContact CZ3-CG 4.36Å; W105-K130 PolarHBondContact N-O 3.23Å; W105-Q132 WeakPolarHBondContact O-CG 3.44Å; W105-Q132 PolarHBondContact O-N 3.42Å; W105-Q132 VanDerWaalsContact O-N 3.16Å
106	N	98.6	Very high	97.6	Very high	1 Å²	1	54 Å²	54	1%	0.005	25%	0.254	C	S	.	.			trans	-95.4	4.4	-178.9	-79.9	12.2	0	0	0	113.8	T78 Y79 V104 I108 Q132 N135 Q136 N139	T78-N106 WeakPolarHBondContact O-CB 3.42Å; T78-N106 PolarHBondContact O-N 3.22Å; Y79-N106 HydrophobicContact CD2-CB 4.32Å; Y79-N106 WeakPolarHBondContact CD2-O 3.38Å; V104-N106 PolarHBondContact O-N 3.05Å; N106-I108 WeakPolarHBondContact O-CG1 3.39Å; N106-I108 PolarHBondContact O-N 2.97Å; N106-Q132 WeakPolarHBondContact OD1-CG 3.32Å; N106-N135 HydrophobicContact CB-CB 4.29Å; N106-N135 WeakPolarHBondContact CB-OD1 3.46Å; N106-N135 PolarHBondContact ND2-OD1 3.22Å; N106-Q136 PolarHBondContact ND2-N 3.26Å; N106-Q136 PolarHBondContact ND2-O 2.92Å; N106-N139 PolarHBondContact OD1-ND2 2.93Å
107	N	97.7	Very high	97.7	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	24%	0.238	C	C	.	.			trans	-79.1	87	174.6	-58.5	-53.6	0	0	0	110.3	Y79 N80 W105 R109 E110	Y79-N107 WeakPolarHBondContact CA-OD1 3.4Å; Y79-N107 WeakPolarHBondContact CD2-OD1 3.42Å; N80-N107 PolarHBondContact N-OD1 2.89Å; W105-N107 HydrophobicContact CD2-CB 4.34Å; W105-N107 HydrophobicContact CH2-CB 4.33Å; W105-N107 WeakPolarHBondContact CH2-ND2 3.47Å; W105-N107 HydrophobicContact CZ2-CB 3.63Å; W105-N107 WeakPolarHBondContact CZ2-ND2 3.35Å; W105-N107 WeakPolarHBondContact CZ3-ND2 3.32Å; W105-N107 PolarHBondContact NE1-O 2.9Å; N107-R109 PolarHBondContact O-N 3.13Å; N107-E110 HydrophobicContact CB-CB 3.81Å; N107-E110 HydrophobicContact CB-CG 4.16Å; N107-E110 PolarHBondContact O-N 3.19Å; N107-E110 VanDerWaalsContact O-N 3.09Å
108	I	97.1	Very high	97.7	Very high	65 Å²	65	54.5 Å²	54.5	33%	0.333	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	128.5	-173	-49.9	-54.3	0	0	0	110.3	N106 E110 Q132 S134 N135	N106-I108 WeakPolarHBondContact O-CG1 3.39Å; N106-I108 PolarHBondContact O-N 2.97Å; I108-E110 PolarHBondContact O-N 3.11Å; I108-Q132 WeakPolarHBondContact CD1-O 3.48Å; I108-S134 VanDerWaalsContact CD1-C 3.45Å; I108-N135 HydrophobicContact CG1-CB 4.21Å
109	R	92.6	Very high	97.7	Very high	251 Å²	251	58 Å²	58	95%	0.947	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	5.3	-175.1	-52.3	168.4	-170.6	-172.9	1.8	115.4	N107	N107-R109 PolarHBondContact O-N 3.13Å
110	E	95.9	Very high	97.7	Very high	95 Å²	95	59.7 Å²	59.7	44%	0.444	29%	0.288	S	S	.	.	S	Bend	trans	-96.6	139.3	169.4	-64.8	-177.4	-156.7	0	0	110.2	W105 N107 I108	W105-E110 HydrophobicContact CZ2-CB 4.08Å; W105-E110 PolarHBondContact NE1-O 3.13Å; N107-E110 HydrophobicContact CB-CB 3.81Å; N107-E110 HydrophobicContact CB-CG 4.16Å; N107-E110 PolarHBondContact O-N 3.19Å; N107-E110 VanDerWaalsContact O-N 3.09Å; I108-E110 PolarHBondContact O-N 3.11Å
111	Q	96.5	Very high	97.5	Very high	160 Å²	160	60.8 Å²	60.8	75%	0.748	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-69.2	138.9	175.7	-73.2	176.6	60.9	0	0	110.2	W105	W105-Q111 WeakPolarHBondContact CZ2-O 3.42Å
112	T	97.9	Very high	97.4	Very high	26 Å²	26	67.3 Å²	67.3	16%	0.16	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-61.8	152.9	171.3	60.7	0	0	0	0	110.9	W105 A114 F129 E131	W105-T112 HydrophobicContact CB-CG2 4.08Å; W105-T112 HydrophobicContact CD2-CG2 3.93Å; W105-T112 HydrophobicContact CG-CG2 3.65Å; T112-A114 PolarHBondContact O-N 2.94Å; T112-F129 HydrophobicContact CG2-CB 3.82Å; T112-F129 HydrophobicContact CG2-CD1 4.34Å; T112-F129 HydrophobicContact CG2-CG 4.34Å; T112-E131 HydrophobicContact CG2-CG 3.51Å; T112-E131 WeakPolarHBondContact CG2-OE1 3.33Å
113	P	97.9	Very high	97.3	Very high	14 Å²	14	69.6 Å²	69.6	9%	0.091	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	20.2	175.8	34.3	-37.1	0	0	0	112.7	T82 L86 W105 K115 L116 W117 F129	T82-P113 HydrophobicContact CG2-CB 4.19Å; T82-P113 HydrophobicContact CG2-CG 4.07Å; L86-P113 HydrophobicContact CD2-CB 4.25Å; L86-P113 HydrophobicContact CD2-CG 4.36Å; W105-P113 HydrophobicContact CZ3-CG 4.36Å; P113-K115 PolarHBondContact O-N 3.26Å; P113-L116 PolarHBondContact O-N 3.38Å; P113-L116 VanDerWaalsContact O-N 3.13Å; P113-W117 WeakPolarHBondContact O-CB 3.35Å; P113-W117 PolarHBondContact O-N 3.29Å; P113-F129 HydrophobicContact CG-CD1 4.4Å; P113-F129 HydrophobicContact CG-CE1 3.58Å; P113-F129 HydrophobicContact CG-CZ 3.96Å
114	A	97.8	Very high	97.3	Very high	19 Å²	19	74.1 Å²	74.1	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-56.4	-46.6	-173.6	0	0	0	0	0	112.8	T112 L116 W117 E118 F129	T112-A114 PolarHBondContact O-N 2.94Å; A114-L116 VanDerWaalsContact C-N 3.33Å; A114-L116 PolarHBondContact O-N 3.03Å; A114-W117 WeakPolarHBondContact O-CB 3.48Å; A114-W117 PolarHBondContact O-N 3.01Å; A114-E118 WeakPolarHBondContact O-CB 3.23Å; A114-E118 VanDerWaalsContact O-CG 3.31Å; A114-E118 WeakPolarHBondContact O-CG 3.41Å; A114-E118 PolarHBondContact O-N 3.43Å; A114-F129 HydrophobicContact CB-CD2 3.72Å; A114-F129 HydrophobicContact CB-CE2 4Å; A114-F129 HydrophobicContact CB-CG 4.4Å
115	K	97.6	Very high	97.2	Very high	160 Å²	160	75.2 Å²	75.2	70%	0.696	39%	0.391	S	S	*	.	H	α-helix	trans	-60.8	-41.2	177.4	-68.3	179.3	-179.9	170.8	0	112.7	P113 S119	P113-K115 PolarHBondContact O-N 3.26Å; K115-S119 PolarHBondContact O-N 3.11Å; K115-S119 VanDerWaalsContact O-N 3.16Å
116	L	97.8	Very high	97.1	Very high	87 Å²	87	81.3 Å²	81.3	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-66.9	-46.9	176.9	174.9	62.6	0	0	0	110	L86 P113 A114 S119 L120	L86-L116 HydrophobicContact CD1-CD2 3.9Å; P113-L116 PolarHBondContact O-N 3.38Å; P113-L116 VanDerWaalsContact O-N 3.13Å; A114-L116 VanDerWaalsContact C-N 3.33Å; A114-L116 PolarHBondContact O-N 3.03Å; L116-S119 PolarHBondContact O-N 3.41Å; L116-S119 PolarHBondContact O-OG 3Å; L116-L120 HydrophobicContact CD1-CD1 4.39Å; L116-L120 HydrophobicContact CG-CD1 4.39Å; L116-L120 WeakPolarHBondContact O-CG 3.31Å; L116-L120 PolarHBondContact O-N 3.5Å
117	W	98.1	Very high	97.1	Very high	15 Å²	15	82.1 Å²	82.1	6%	0.057	43%	0.425	C	S	.	.	H	α-helix	trans	-55.3	-54.7	177.2	-177.6	-104.7	0	0	0	110.7	L86 L89 P113 A114 S119 L120 H123 V127 F129	L86-W117 HydrophobicContact CD2-CE3 4.07Å; L89-W117 HydrophobicContact CB-CE3 4.31Å; L89-W117 HydrophobicContact CB-CH2 3.58Å; L89-W117 HydrophobicContact CB-CZ2 4.33Å; L89-W117 HydrophobicContact CB-CZ3 3.56Å; L89-W117 HydrophobicContact CD1-CD2 4.46Å; L89-W117 HydrophobicContact CD1-CE3 4.16Å; L89-W117 HydrophobicContact CD1-CZ3 4.24Å; P113-W117 WeakPolarHBondContact O-CB 3.35Å; P113-W117 PolarHBondContact O-N 3.29Å; A114-W117 WeakPolarHBondContact O-CB 3.48Å; A114-W117 PolarHBondContact O-N 3.01Å; W117-S119 VanDerWaalsContact C-N 3.26Å; W117-S119 PolarHBondContact O-N 3.41Å; W117-L120 WeakPolarHBondContact O-CB 3.42Å; W117-L120 PolarHBondContact O-N 3.08Å; W117-H123 AromaticContact CD1-CD2 3.87Å; W117-H123 AromaticContact CD1-NE2 3.72Å; W117-H123 AromaticContact CD2-CE1 3.73Å; W117-H123 AromaticContact CD2-NE2 3.78Å; W117-H123 AromaticContact CE2-CD2 3.7Å; W117-H123 AromaticContact CE2-CE1 3.42Å; W117-H123 VanDerWaalsContact CE2-CE1 3.42Å; W117-H123 AromaticContact CE2-CG 3.73Å; W117-H123 AromaticContact CE2-ND1 3.56Å; W117-H123 AromaticContact CE2-NE2 3.51Å; W117-H123 AromaticContact CG-NE2 3.91Å; W117-H123 AromaticContact CH2-CE1 3.83Å; W117-H123 AromaticContact CH2-ND1 3.7Å; W117-H123 HydrophobicContact CZ2-CB 4.35Å; W117-H123 AromaticContact CZ2-CE1 3.49Å; W117-H123 VanDerWaalsContact CZ2-CE1 3.49Å; W117-H123 WeakPolarHBondContact CZ2-CE1 3.37Å; W117-H123 AromaticContact CZ2-CG 3.64Å; W117-H123 AromaticContact CZ2-ND1 3.22Å; W117-H123 WeakPolarHBondContact CZ2-ND1 3.49Å; W117-H123 AromaticContact NE1-CD2 3.34Å; W117-H123 PolarHBondContact NE1-CD2 2.63Å; W117-H123 VanDerWaalsContact NE1-CD2 3.34Å; W117-H123 AromaticContact NE1-CE1 3.85Å; W117-H123 AromaticContact NE1-CG 3.69Å; W117-H123 AromaticContact NE1-ND1 3.99Å; W117-H123 AromaticContact NE1-NE2 3.46Å; W117-H123 PolarHBondContact NE1-NE2 3.03Å; W117-H123 PolarHBondContact O-NE2 3.45Å; W117-V127 HydrophobicContact CZ2-CG2 3.59Å; W117-F129 HydrophobicContact CB-CE2 4.31Å; W117-F129 HydrophobicContact CB-CZ 4.3Å; W117-F129 HydrophobicContact CG-CE2 4.38Å; W117-F129 HydrophobicContact CG-CZ 4.43Å
118	E	97.1	Very high	97.2	Very high	142 Å²	142	83.1 Å²	83.1	66%	0.664	43%	0.431	S	S	*	.	H	α-helix	trans	-55.5	-37.4	178.4	-71.8	168.7	-174.5	0	0	113.3	A114 L120 G121	A114-E118 WeakPolarHBondContact O-CB 3.23Å; A114-E118 VanDerWaalsContact O-CG 3.31Å; A114-E118 WeakPolarHBondContact O-CG 3.41Å; A114-E118 PolarHBondContact O-N 3.43Å; E118-L120 PolarHBondContact O-N 3.14Å; E118-G121 PolarHBondContact O-N 3.11Å
119	S	98.1	Very high	97.3	Very high	88 Å²	88	81.6 Å²	81.6	62%	0.615	42%	0.422	S	S	*	.	H	α-helix	trans	-67.7	-18.7	177.8	76.8	0	0	0	0	114.5	K115 L116 W117	K115-S119 PolarHBondContact O-N 3.11Å; K115-S119 VanDerWaalsContact O-N 3.16Å; L116-S119 PolarHBondContact O-N 3.41Å; L116-S119 PolarHBondContact O-OG 3Å; W117-S119 VanDerWaalsContact C-N 3.26Å; W117-S119 PolarHBondContact O-N 3.41Å
120	L	97.6	Very high	97.5	Very high	111 Å²	111	71.7 Å²	71.7	58%	0.581	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	4.2	178.9	-62.7	172.1	0	0	0	112.8	L116 W117 E118	L116-L120 HydrophobicContact CD1-CD1 4.39Å; L116-L120 HydrophobicContact CG-CD1 4.39Å; L116-L120 WeakPolarHBondContact O-CG 3.31Å; L116-L120 PolarHBondContact O-N 3.5Å; W117-L120 WeakPolarHBondContact O-CB 3.42Å; W117-L120 PolarHBondContact O-N 3.08Å; E118-L120 PolarHBondContact O-N 3.14Å
121	G	95	Very high	97.6	Very high	35 Å²	35	73.3 Å²	73.3	36%	0.361	39%	0.393	S	S	.	.			trans	-70.5	176.2	-179.2	0	0	0	0	0	114.8	E118	E118-G121 PolarHBondContact O-N 3.11Å
122	P	96.7	Very high	97.7	Very high	137 Å²	137	67.1 Å²	67.1	89%	0.89	36%	0.364	S	S	*	.			cis	-77	147.1	6.3	31	-35.5	0	0	0	113.6
123	H	97.7	Very high	97.7	Very high	48 Å²	48	70.7 Å²	70.7	22%	0.222	40%	0.397	C	S	.	.			trans	-101.8	146.9	176.9	-59.6	-68.5	0	0	0	111.6	Q93 W117 V125	Q93-H123 PolarHBondContact OE1-ND1 3.46Å; W117-H123 AromaticContact CD1-CD2 3.87Å; W117-H123 AromaticContact CD1-NE2 3.72Å; W117-H123 AromaticContact CD2-CE1 3.73Å; W117-H123 AromaticContact CD2-NE2 3.78Å; W117-H123 AromaticContact CE2-CD2 3.7Å; W117-H123 AromaticContact CE2-CE1 3.42Å; W117-H123 VanDerWaalsContact CE2-CE1 3.42Å; W117-H123 AromaticContact CE2-CG 3.73Å; W117-H123 AromaticContact CE2-ND1 3.56Å; W117-H123 AromaticContact CE2-NE2 3.51Å; W117-H123 AromaticContact CG-NE2 3.91Å; W117-H123 AromaticContact CH2-CE1 3.83Å; W117-H123 AromaticContact CH2-ND1 3.7Å; W117-H123 HydrophobicContact CZ2-CB 4.35Å; W117-H123 AromaticContact CZ2-CE1 3.49Å; W117-H123 VanDerWaalsContact CZ2-CE1 3.49Å; W117-H123 WeakPolarHBondContact CZ2-CE1 3.37Å; W117-H123 AromaticContact CZ2-CG 3.64Å; W117-H123 AromaticContact CZ2-ND1 3.22Å; W117-H123 WeakPolarHBondContact CZ2-ND1 3.49Å; W117-H123 AromaticContact NE1-CD2 3.34Å; W117-H123 PolarHBondContact NE1-CD2 2.63Å; W117-H123 VanDerWaalsContact NE1-CD2 3.34Å; W117-H123 AromaticContact NE1-CE1 3.85Å; W117-H123 AromaticContact NE1-CG 3.69Å; W117-H123 AromaticContact NE1-ND1 3.99Å; W117-H123 AromaticContact NE1-NE2 3.46Å; W117-H123 PolarHBondContact NE1-NE2 3.03Å; W117-H123 PolarHBondContact O-NE2 3.45Å; H123-V125 VanDerWaalsContact C-N 3.28Å; H123-V125 PolarHBondContact O-N 3.46Å
124	P	97.1	Very high	97.7	Very high	95 Å²	95	72.2 Å²	72.2	62%	0.617	41%	0.408	S	S	*	.	S	Bend	trans	-65.7	-28	178.5	-20.4	32.2	0	0	0	114.2	Q93	Q93-P124 HydrophobicContact CG-CG 4.35Å; Q93-P124 WeakPolarHBondContact O-CB 3.48Å
125	V	97.4	Very high	97.7	Very high	22 Å²	22	74.1 Å²	74.1	13%	0.133	42%	0.415	C	S	.	.	S	Bend	trans	-138	157.5	-178.9	-62.2	0	0	0	0	111.1	Q93 L98 I101 H123	Q93-V125 HydrophobicContact CB-CG2 4.12Å; L98-V125 HydrophobicContact CB-CG1 4.44Å; L98-V125 HydrophobicContact CD2-CG1 4.46Å; L98-V125 HydrophobicContact CD2-CG2 3.77Å; L98-V125 HydrophobicContact CG-CG1 4.21Å; L98-V125 HydrophobicContact CG-CG2 4.2Å; L98-V125 WeakPolarHBondContact O-CG1 3.43Å; I101-V125 HydrophobicContact CG1-CG2 4.34Å; H123-V125 VanDerWaalsContact C-N 3.28Å; H123-V125 PolarHBondContact O-N 3.46Å
126	Q	97.9	Very high	97.7	Very high	133 Å²	133	69.1 Å²	69.1	62%	0.621	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.5	174.9	-169.8	-179.5	26.2	0	0	111	M100 I101 V128	M100-Q126 WeakPolarHBondContact CA-O 3.47Å; I101-Q126 PolarHBondContact N-O 2.84Å; Q126-V128 HydrophobicContact CG-CG2 3.95Å
127	V	98.6	Very high	97.7	Very high	19 Å²	19	66.3 Å²	66.3	12%	0.115	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.2	168.5	-176.4	0	0	0	0	108.3	L89 I101 V103 W117 F129	L89-V127 HydrophobicContact CD1-CG1 4.25Å; L89-V127 HydrophobicContact CD2-CG1 4.06Å; L89-V127 HydrophobicContact CD2-CG2 4.42Å; I101-V127 HydrophobicContact CB-CG1 4.36Å; I101-V127 HydrophobicContact CB-CG2 4.18Å; I101-V127 HydrophobicContact CD1-CG2 4.29Å; I101-V127 HydrophobicContact CG1-CG2 4.49Å; I101-V127 CarbonylContact O-C 3.47Å; I101-V127 WeakPolarHBondContact O-CA 3.49Å; V103-V127 HydrophobicContact CG2-CG1 3.72Å; W117-V127 HydrophobicContact CZ2-CG2 3.59Å; V127-F129 HydrophobicContact CB-CE2 4.5Å; V127-F129 HydrophobicContact CG1-CD2 4.45Å; V127-F129 HydrophobicContact CG1-CE2 3.88Å; V127-F129 HydrophobicContact CG1-CZ 3.96Å
128	V	98.6	Very high	97.7	Very high	23 Å²	23	67.5 Å²	67.5	14%	0.139	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.8	-179.3	-179.3	0	0	0	0	109.2	M100 I101 I102 V103 Q126 K130	M100-V128 HydrophobicContact CE-CB 4.05Å; M100-V128 HydrophobicContact CE-CG2 3.44Å; M100-V128 VanDerWaalsContact CE-CG2 3.44Å; I101-V128 PolarHBondContact O-N 3.06Å; I102-V128 WeakPolarHBondContact CA-O 3.01Å; V103-V128 PolarHBondContact N-O 3.4Å; Q126-V128 HydrophobicContact CG-CG2 3.95Å; V128-K130 HydrophobicContact CG1-CD 4.19Å; V128-K130 HydrophobicContact CG1-CG 4.46Å
129	F	98.6	Very high	97.8	Very high	33 Å²	33	61.1 Å²	61.1	15%	0.145	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124	175	-63.3	-91.2	0	0	0	110.2	L85 L89 V103 T112 P113 A114 W117 V127	L85-F129 HydrophobicContact CD2-CE1 4.44Å; L89-F129 HydrophobicContact CD1-CZ 4.28Å; V103-F129 HydrophobicContact CB-CD1 3.71Å; V103-F129 HydrophobicContact CB-CE1 4.01Å; V103-F129 HydrophobicContact CB-CG 4.39Å; V103-F129 HydrophobicContact CG1-CD1 3.71Å; V103-F129 HydrophobicContact CG1-CE1 3.94Å; V103-F129 HydrophobicContact CG2-CD1 4.19Å; V103-F129 HydrophobicContact CG2-CE1 4Å; T112-F129 HydrophobicContact CG2-CB 3.82Å; T112-F129 HydrophobicContact CG2-CD1 4.34Å; T112-F129 HydrophobicContact CG2-CG 4.34Å; P113-F129 HydrophobicContact CG-CD1 4.4Å; P113-F129 HydrophobicContact CG-CE1 3.58Å; P113-F129 HydrophobicContact CG-CZ 3.96Å; A114-F129 HydrophobicContact CB-CD2 3.72Å; A114-F129 HydrophobicContact CB-CE2 4Å; A114-F129 HydrophobicContact CB-CG 4.4Å; W117-F129 HydrophobicContact CB-CE2 4.31Å; W117-F129 HydrophobicContact CB-CZ 4.3Å; W117-F129 HydrophobicContact CG-CE2 4.38Å; W117-F129 HydrophobicContact CG-CZ 4.43Å; V127-F129 HydrophobicContact CB-CE2 4.5Å; V127-F129 HydrophobicContact CG1-CD2 4.45Å; V127-F129 HydrophobicContact CG1-CE2 3.88Å; V127-F129 HydrophobicContact CG1-CZ 3.96Å
130	K	98.4	Very high	97.8	Very high	44 Å²	44	57.3 Å²	57.3	19%	0.191	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	92.1	-180	-66.1	-63.6	-166.8	171.5	0	109.5	I102 V103 W105 V128 Q132 F144 E146	I102-K130 HydrophobicContact CG2-CG 3.69Å; V103-K130 PolarHBondContact O-N 3.11Å; W105-K130 PolarHBondContact N-O 3.23Å; V128-K130 HydrophobicContact CG1-CD 4.19Å; V128-K130 HydrophobicContact CG1-CG 4.46Å; K130-Q132 PolarHBondContact O-N 3.39Å; K130-Q132 PolarHBondContact O-NE2 2.82Å; K130-F144 HydrophobicContact CB-CE1 4.15Å; K130-F144 HydrophobicContact CB-CZ 4.43Å; K130-F144 HydrophobicContact CD-CD1 4.22Å; K130-F144 HydrophobicContact CD-CE1 4.37Å; K130-F144 HydrophobicContact CG-CD1 4.11Å; K130-F144 HydrophobicContact CG-CE1 3.99Å; K130-F144 HydrophobicContact CG-CZ 4.45Å; K130-E146 VanDerWaalsContact CE-CD 3.49Å; K130-E146 WeakPolarHBondContact CE-OE1 3.49Å; K130-E146 WeakPolarHBondContact CE-OE2 3.25Å; K130-E146 IonicContact NZ-OE1 2.74Å; K130-E146 PolarHBondContact NZ-OE1 2.95Å; K130-E146 IonicContact NZ-OE2 2.66Å; K130-E146 PolarHBondContact NZ-OE2 2.86Å
131	E	98.3	Very high	97.9	Very high	129 Å²	129	52.1 Å²	52.1	60%	0.603	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	132.8	173.9	-66.8	-176	-171.5	0	0	111	T112	T112-E131 HydrophobicContact CG2-CG 3.51Å; T112-E131 WeakPolarHBondContact CG2-OE1 3.33Å
132	Q	98.4	Very high	98.1	Very high	29 Å²	29	53.4 Å²	53.4	14%	0.136	30%	0.296	C	S	.	.			trans	-105.2	148.5	-179	-57.4	-57.2	-54.3	0	0	111	V104 W105 N106 I108 K130 S134 N139	V104-Q132 HydrophobicContact CG1-CG 3.7Å; W105-Q132 WeakPolarHBondContact O-CG 3.44Å; W105-Q132 PolarHBondContact O-N 3.42Å; W105-Q132 VanDerWaalsContact O-N 3.16Å; N106-Q132 WeakPolarHBondContact OD1-CG 3.32Å; I108-Q132 WeakPolarHBondContact CD1-O 3.48Å; K130-Q132 PolarHBondContact O-N 3.39Å; K130-Q132 PolarHBondContact O-NE2 2.82Å; Q132-S134 VanDerWaalsContact C-N 3.32Å; Q132-N139 WeakPolarHBondContact CB-ND2 3.5Å; Q132-N139 HydrophobicContact CG-CB 3.96Å; Q132-N139 WeakPolarHBondContact CG-ND2 3.3Å
133	A	97.1	Very high	98.1	Very high	102 Å²	102	49.9 Å²	49.9	84%	0.843	27%	0.273	S	S	*	.	S	Bend	trans	-72.9	-27	178.5	0	0	0	0	0	112.9
134	S	97.8	Very high	98.2	Very high	46 Å²	46	48.5 Å²	48.5	32%	0.322	27%	0.266	S	S	.	.	S	Bend	trans	-148	150.4	179.7	54.9	0	0	0	0	110.4	I108 Q132 Q136 N139	I108-S134 VanDerWaalsContact CD1-C 3.45Å; Q132-S134 VanDerWaalsContact C-N 3.32Å; S134-Q136 PolarHBondContact O-N 2.96Å; S134-Q136 VanDerWaalsContact O-N 3.11Å; S134-Q136 PolarHBondContact OG-NE2 3.29Å; S134-N139 PolarHBondContact O-ND2 3.32Å
135	N	97.9	Very high	98.2	Very high	58 Å²	58	49.3 Å²	49.3	31%	0.31	27%	0.274	S	S	.	.			trans	-75.1	99.3	173.8	178.7	19.9	0	0	0	109.3	Y79 N106 I108	Y79-N135 WeakPolarHBondContact CD2-ND2 3.17Å; Y79-N135 HydrophobicContact CE2-CB 4.48Å; Y79-N135 VanDerWaalsContact CE2-ND2 3.32Å; Y79-N135 WeakPolarHBondContact CE2-ND2 3.46Å; N106-N135 HydrophobicContact CB-CB 4.29Å; N106-N135 WeakPolarHBondContact CB-OD1 3.46Å; N106-N135 PolarHBondContact ND2-OD1 3.22Å; I108-N135 HydrophobicContact CG1-CB 4.21Å
136	Q	98.3	Very high	98.2	Very high	55 Å²	55	51.3 Å²	51.3	26%	0.257	28%	0.282	S	S	.	.			trans	-127.6	138.6	175.5	-67	-177.8	-4.4	0	0	110.7	Q77 N106 S134 R138 N139 D244	Q77-Q136 PolarHBondContact OE1-O 3.36Å; N106-Q136 PolarHBondContact ND2-N 3.26Å; N106-Q136 PolarHBondContact ND2-O 2.92Å; S134-Q136 PolarHBondContact O-N 2.96Å; S134-Q136 VanDerWaalsContact O-N 3.11Å; S134-Q136 PolarHBondContact OG-NE2 3.29Å; Q136-R138 HydrophobicContact CB-CG 4.14Å; Q136-R138 PolarHBondContact O-N 3.38Å; Q136-N139 PolarHBondContact N-ND2 3.36Å; Q136-N139 WeakPolarHBondContact O-CB 3.24Å; Q136-N139 PolarHBondContact O-N 2.84Å; Q136-N139 PolarHBondContact O-ND2 2.77Å; Q136-D244 PolarHBondContact OE1-OD1 2.89Å
137	M	97.3	Very high	98.2	Very high	29 Å²	29	45.5 Å²	45.5	14%	0.143	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-56.2	-39.3	175.7	-82.3	-60.1	-66.4	0	0	113	Q77 N139 Q247 D250 M298	Q77-M137 PolarHBondContact NE2-O 3.19Å; Q77-M137 VanDerWaalsContact NE2-O 3.17Å; Q77-M137 PolarHBondContact OE1-O 2.98Å; M137-N139 PolarHBondContact O-N 3.26Å; M137-Q247 HydrophobicContact CG-CB 4.36Å; M137-Q247 WeakPolarHBondContact CG-O 3.34Å; M137-D250 WeakPolarHBondContact CE-OD1 3.19Å; M137-M298 HydrophobicContact CE-CE 4.14Å; M137-M298 HydrophobicContact CG-CE 3.76Å; M137-M298 HydrophobicContact SD-CE 3.44Å; M137-M298 WeakPolarHBondContact SD-CE 3.5Å
138	R	98.2	Very high	98.1	Very high	39 Å²	39	46.8 Å²	46.8	15%	0.147	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-72.7	-5.5	-178.7	66.9	-179.5	-75.1	-168.6	1.3	115	Q136 R140 L141 F232 H240 V243 D244	Q136-R138 HydrophobicContact CB-CG 4.14Å; Q136-R138 PolarHBondContact O-N 3.38Å; R138-R140 PolarHBondContact O-N 3.02Å; R138-L141 WeakPolarHBondContact O-CB 3.49Å; R138-L141 PolarHBondContact O-N 2.97Å; R138-F232 HydrophobicContact CB-CE1 3.97Å; R138-F232 HydrophobicContact CB-CZ 4.13Å; R138-H240 VanDerWaalsContact NH1-CB 3.3Å; R138-H240 VanDerWaalsContact NH2-CG 3.3Å; R138-H240 PolarHBondContact NH2-ND1 3.47Å; R138-H240 VanDerWaalsContact NH2-ND1 3.15Å; R138-V243 HydrophobicContact CB-CG1 3.97Å; R138-D244 WeakPolarHBondContact CD-OD1 3.33Å; R138-D244 WeakPolarHBondContact CD-OD2 3.31Å; R138-D244 WeakPolarHBondContact CG-OD1 3.4Å; R138-D244 IonicContact CZ-OD2 3.61Å; R138-D244 IonicContact NH1-OD2 2.78Å; R138-D244 PolarHBondContact NH1-OD2 2.84Å
139	N	98.8	Very high	98	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.048	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.8	-35.4	-177.8	-73.1	-22.3	0	0	0	111.9	V104 N106 Q132 S134 Q136 M137 L141 Q142	V104-N139 HydrophobicContact CG1-CB 3.61Å; N106-N139 PolarHBondContact OD1-ND2 2.93Å; Q132-N139 WeakPolarHBondContact CB-ND2 3.5Å; Q132-N139 HydrophobicContact CG-CB 3.96Å; Q132-N139 WeakPolarHBondContact CG-ND2 3.3Å; S134-N139 PolarHBondContact O-ND2 3.32Å; Q136-N139 PolarHBondContact N-ND2 3.36Å; Q136-N139 WeakPolarHBondContact O-CB 3.24Å; Q136-N139 PolarHBondContact O-N 2.84Å; Q136-N139 PolarHBondContact O-ND2 2.77Å; M137-N139 PolarHBondContact O-N 3.26Å; N139-L141 PolarHBondContact O-N 2.9Å; N139-Q142 WeakPolarHBondContact O-CB 3.49Å; N139-Q142 VanDerWaalsContact O-CG 3.31Å; N139-Q142 WeakPolarHBondContact O-CG 3.41Å; N139-Q142 PolarHBondContact O-N 3.26Å; N139-Q142 PolarHBondContact O-NE2 2.9Å
140	R	98.8	Very high	98	Very high	8 Å²	8	45.8 Å²	45.8	3%	0.03	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-66	-10.5	173.7	70.8	-171.6	-178.9	169	-4.2	116	I75 Q77 V104 R138 M154 D156 D250	I75-R140 HydrophobicContact CG2-CB 4.15Å; Q77-R140 HydrophobicContact CB-CB 3.96Å; V104-R140 HydrophobicContact CG2-CB 4.43Å; R138-R140 PolarHBondContact O-N 3.02Å; R140-M154 HydrophobicContact CB-CE 4.01Å; R140-M154 HydrophobicContact CG-CE 3.85Å; R140-M154 HydrophobicContact CG-SD 3.98Å; R140-M154 VanDerWaalsContact O-CE 3.23Å; R140-M154 WeakPolarHBondContact O-CE 3.22Å; R140-D156 IonicContact CZ-OD1 3.87Å; R140-D156 IonicContact NH1-OD1 3.81Å; R140-D156 PolarHBondContact NH1-OD1 3.43Å; R140-D156 IonicContact NH2-OD1 2.82Å; R140-D250 IonicContact CZ-OD2 3.77Å; R140-D250 IonicContact NE-OD2 3.94Å; R140-D250 PolarHBondContact NE-OD2 3.2Å; R140-D250 IonicContact NH2-OD1 3.66Å; R140-D250 PolarHBondContact NH2-OD1 3.49Å; R140-D250 IonicContact NH2-OD2 2.82Å; R140-D250 PolarHBondContact NH2-OD2 2.72Å
141	L	98.8	Very high	98	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-97.1	6.8	178.3	-59.8	176.3	0	0	0	112.9	R138 N139 M154 I219 L229 F232 Q233 D250 V254	R138-L141 WeakPolarHBondContact O-CB 3.49Å; R138-L141 PolarHBondContact O-N 2.97Å; N139-L141 PolarHBondContact O-N 2.9Å; L141-M154 HydrophobicContact CD2-CE 3.98Å; L141-M154 HydrophobicContact CD2-SD 4.49Å; L141-I219 HydrophobicContact CD2-CD1 3.81Å; L141-L229 HydrophobicContact CD2-CD2 4.34Å; L141-F232 HydrophobicContact CB-CD1 3.49Å; L141-F232 VanDerWaalsContact CB-CD1 3.49Å; L141-F232 HydrophobicContact CB-CE1 3.85Å; L141-F232 HydrophobicContact CB-CG 4.03Å; L141-F232 HydrophobicContact CD1-CD1 3.74Å; L141-F232 HydrophobicContact CD1-CD2 3.74Å; L141-F232 HydrophobicContact CD1-CE1 3.64Å; L141-F232 HydrophobicContact CD1-CE2 3.64Å; L141-F232 HydrophobicContact CD1-CG 3.78Å; L141-F232 HydrophobicContact CD1-CZ 3.59Å; L141-F232 HydrophobicContact CG-CD1 4.23Å; L141-F232 HydrophobicContact CG-CE1 4.39Å; L141-F232 HydrophobicContact CG-CG 4.45Å; L141-Q233 PolarHBondContact O-NE2 3.23Å; L141-D250 HydrophobicContact CD1-CB 3.97Å; L141-V254 HydrophobicContact CD1-CG2 3.81Å; L141-V254 HydrophobicContact CD2-CG2 3.83Å
142	Q	98.7	Very high	98	Very high	63 Å²	63	37.6 Å²	37.6	29%	0.294	23%	0.226	S	C	.	.	S	Bend	trans	-70.4	140.9	173.8	-67.9	175.3	47	0	0	111.7	N139 F144	N139-Q142 WeakPolarHBondContact O-CB 3.49Å; N139-Q142 VanDerWaalsContact O-CG 3.31Å; N139-Q142 WeakPolarHBondContact O-CG 3.41Å; N139-Q142 PolarHBondContact O-N 3.26Å; N139-Q142 PolarHBondContact O-NE2 2.9Å; Q142-F144 VanDerWaalsContact C-N 3.29Å; Q142-F144 HydrophobicContact CB-CD1 4.38Å; Q142-F144 HydrophobicContact CB-CE1 3.92Å; Q142-F144 HydrophobicContact CB-CE2 4.14Å; Q142-F144 HydrophobicContact CB-CZ 3.79Å; Q142-F144 WeakPolarHBondContact O-CD2 3.42Å; Q142-F144 PolarHBondContact O-N 3.37Å
143	P	98.1	Very high	98	Very high	62 Å²	62	36.2 Å²	36.2	40%	0.403	22%	0.219	S	C	.	.			trans	-79.7	74.2	176.5	33.6	-35.2	0	0	0	110.8	S145 L229 Q233	P143-S145 PolarHBondContact O-N 3Å; P143-L229 HydrophobicContact CB-CB 4.28Å; P143-Q233 HydrophobicContact CG-CG 4.21Å
144	F	98.4	Very high	98.1	Very high	19 Å²	19	31.4 Å²	31.4	8%	0.083	18%	0.179	C	C	.	.			trans	-58.9	131.1	179.9	-59.8	-67.3	0	0	0	111.7	I102 V104 K130 Q142 E146 I147	I102-F144 HydrophobicContact CD1-CB 3.79Å; I102-F144 HydrophobicContact CD1-CD2 4.1Å; I102-F144 HydrophobicContact CD1-CG 4.2Å; I102-F144 HydrophobicContact CG2-CD2 3.94Å; I102-F144 HydrophobicContact CG2-CE2 4.09Å; I102-F144 HydrophobicContact CG2-CG 4.4Å; V104-F144 HydrophobicContact CG2-CE2 3.66Å; V104-F144 HydrophobicContact CG2-CZ 3.75Å; K130-F144 HydrophobicContact CB-CE1 4.15Å; K130-F144 HydrophobicContact CB-CZ 4.43Å; K130-F144 HydrophobicContact CD-CD1 4.22Å; K130-F144 HydrophobicContact CD-CE1 4.37Å; K130-F144 HydrophobicContact CG-CD1 4.11Å; K130-F144 HydrophobicContact CG-CE1 3.99Å; K130-F144 HydrophobicContact CG-CZ 4.45Å; Q142-F144 VanDerWaalsContact C-N 3.29Å; Q142-F144 HydrophobicContact CB-CD1 4.38Å; Q142-F144 HydrophobicContact CB-CE1 3.92Å; Q142-F144 HydrophobicContact CB-CE2 4.14Å; Q142-F144 HydrophobicContact CB-CZ 3.79Å; Q142-F144 WeakPolarHBondContact O-CD2 3.42Å; Q142-F144 PolarHBondContact O-N 3.37Å; F144-E146 PolarHBondContact O-N 3.43Å; F144-I147 HydrophobicContact CB-CD1 3.98Å; F144-I147 HydrophobicContact CB-CG1 4.12Å; F144-I147 HydrophobicContact CD2-CD1 4.2Å; F144-I147 WeakPolarHBondContact O-CB 3.49Å; F144-I147 WeakPolarHBondContact O-CG1 3.31Å; F144-I147 PolarHBondContact O-N 3.39Å
145	S	97.5	Very high	98.2	Very high	112 Å²	112	29.2 Å²	29.2	78%	0.783	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.9	-175.6	48	0	0	0	0	114	P143 I147	P143-S145 PolarHBondContact O-N 3Å; S145-I147 PolarHBondContact O-N 3.13Å
146	E	97.6	Very high	98.2	Very high	65 Å²	65	29 Å²	29	30%	0.304	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.8	175.9	-64.2	80.4	179.3	0	0	113.2	M100 I102 K130 F144 A148	M100-E146 HydrophobicContact CE-CB 3.79Å; M100-E146 HydrophobicContact CE-CG 4.44Å; M100-E146 HydrophobicContact SD-CB 3.89Å; M100-E146 VanDerWaalsContact SD-O 3.35Å; I102-E146 HydrophobicContact CD1-CB 4.33Å; K130-E146 VanDerWaalsContact CE-CD 3.49Å; K130-E146 WeakPolarHBondContact CE-OE1 3.49Å; K130-E146 WeakPolarHBondContact CE-OE2 3.25Å; K130-E146 IonicContact NZ-OE1 2.74Å; K130-E146 PolarHBondContact NZ-OE1 2.95Å; K130-E146 IonicContact NZ-OE2 2.66Å; K130-E146 PolarHBondContact NZ-OE2 2.86Å; F144-E146 PolarHBondContact O-N 3.43Å; E146-A148 PolarHBondContact O-N 2.79Å
147	I	97.6	Very high	98.2	Very high	11 Å²	11	26.9 Å²	26.9	6%	0.056	15%	0.153	C	C	.	.			trans	-76.7	90.1	-177.6	-54.9	171.9	0	0	0	110.3	T73 I75 I102 F144 S145 V152 R226 L229	T73-I147 HydrophobicContact CG2-CG1 4.24Å; I75-I147 HydrophobicContact CD1-CD1 3.75Å; I75-I147 HydrophobicContact CG1-CD1 4.48Å; I102-I147 HydrophobicContact CD1-CD1 3.89Å; I102-I147 HydrophobicContact CD1-CG1 3.36Å; F144-I147 HydrophobicContact CB-CD1 3.98Å; F144-I147 HydrophobicContact CB-CG1 4.12Å; F144-I147 HydrophobicContact CD2-CD1 4.2Å; F144-I147 WeakPolarHBondContact O-CB 3.49Å; F144-I147 WeakPolarHBondContact O-CG1 3.31Å; F144-I147 PolarHBondContact O-N 3.39Å; S145-I147 PolarHBondContact O-N 3.13Å; I147-V152 HydrophobicContact CG2-CG2 3.91Å; I147-R226 HydrophobicContact CG2-CB 4.05Å; I147-R226 PolarHBondContact O-NH1 2.8Å; I147-L229 HydrophobicContact CD1-CD1 3.49Å; I147-L229 VanDerWaalsContact CD1-CD1 3.49Å
148	A	95.9	Very high	98.2	Very high	45 Å²	45	26 Å²	26	37%	0.372	15%	0.149	S	C	.	.			trans	-84.2	-23.2	175.8	0	0	0	0	0	114	L68 E146 R226	L68-A148 HydrophobicContact CD2-CB 4.18Å; E146-A148 PolarHBondContact O-N 2.79Å; A148-R226 PolarHBondContact O-NH1 2.89Å
149	T	98.1	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-79.1	148.9	-175.2	57.8	0	0	0	0	112.5	K71 T73 Q99 A151 R226	K71-T149 HydrophobicContact CB-CG2 4.01Å; T73-T149 WeakPolarHBondContact CB-OG1 3.43Å; T73-T149 PolarHBondContact N-OG1 3.35Å; T73-T149 VanDerWaalsContact N-OG1 3.1Å; T73-T149 PolarHBondContact OG1-OG1 3.24Å; T73-T149 VanDerWaalsContact OG1-OG1 3.08Å; Q99-T149 HydrophobicContact CB-CG2 3.77Å; Q99-T149 HydrophobicContact CG-CG2 4.12Å; T149-A151 PolarHBondContact OG1-O 2.86Å; T149-R226 WeakPolarHBondContact O-CD 3.39Å; T149-R226 WeakPolarHBondContact O-CG 3.42Å; T149-R226 PolarHBondContact O-NE 2.92Å
150	N	97.7	Very high	98.2	Very high	36 Å²	36	25.3 Å²	25.3	19%	0.193	15%	0.148	C	C	.	.	S	Bend	trans	-70.4	-37.4	174.7	-74.5	-22.8	0	0	0	111.9	W173 H225 R226	N150-W173 HydrophobicContact CB-CH2 3.99Å; N150-H225 CarbonylContact O-C 3.36Å; N150-H225 VanDerWaalsContact O-CA 3.31Å; N150-H225 WeakPolarHBondContact O-CA 3.29Å; N150-H225 PolarHBondContact O-ND1 2.87Å; N150-R226 PolarHBondContact O-N 3.04Å; N150-R226 PolarHBondContact OD1-NH2 2.89Å
151	A	98.6	Very high	98.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.6	177.2	0	0	0	0	0	111.9	F72 T73 T149 F170 W173 F223	F72-A151 WeakPolarHBondContact CA-O 3.48Å; F72-A151 HydrophobicContact CB-CB 3.75Å; T73-A151 PolarHBondContact N-O 2.85Å; T149-A151 PolarHBondContact OG1-O 2.86Å; A151-F170 HydrophobicContact CB-CD2 4.31Å; A151-F170 HydrophobicContact CB-CE2 3.71Å; A151-W173 HydrophobicContact CB-CD2 3.91Å; A151-W173 HydrophobicContact CB-CE3 3.62Å; A151-W173 HydrophobicContact CB-CH2 3.49Å; A151-W173 VanDerWaalsContact CB-CH2 3.49Å; A151-W173 HydrophobicContact CB-CZ2 3.76Å; A151-W173 HydrophobicContact CB-CZ3 3.43Å; A151-W173 VanDerWaalsContact CB-CZ3 3.43Å; A151-F223 HydrophobicContact CB-CD1 4.34Å
152	V	98.8	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.3	168.8	172.9	0	0	0	0	107.9	T73 I75 I147 F223 F224 R226 L229	T73-V152 CarbonylContact O-C 3.58Å; T73-V152 WeakPolarHBondContact O-CA 3.35Å; I75-V152 HydrophobicContact CB-CG1 4.46Å; I75-V152 HydrophobicContact CD1-CG1 3.59Å; I75-V152 HydrophobicContact CG1-CG1 3.82Å; I147-V152 HydrophobicContact CG2-CG2 3.91Å; V152-F223 CarbonylContact O-C 3.25Å; V152-F223 VanDerWaalsContact O-CA 3.25Å; V152-F223 WeakPolarHBondContact O-CA 3.46Å; V152-F224 HydrophobicContact CB-CD2 4.41Å; V152-F224 HydrophobicContact CB-CE2 4.04Å; V152-F224 HydrophobicContact CB-CZ 4.25Å; V152-F224 HydrophobicContact CG1-CE1 4.4Å; V152-F224 HydrophobicContact CG1-CE2 4.11Å; V152-F224 HydrophobicContact CG1-CZ 3.85Å; V152-F224 PolarHBondContact N-O 3.12Å; V152-F224 PolarHBondContact O-N 2.82Å; V152-R226 HydrophobicContact CG2-CB 3.86Å; V152-L229 HydrophobicContact CG2-CD1 4.37Å
153	L	98.9	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.9	165.9	176	54.7	0	0	0	108.3	F72 T73 V74 I75 L155 I166 F223	F72-L153 HydrophobicContact CD2-CB 3.97Å; F72-L153 HydrophobicContact CE2-CB 4.22Å; F72-L153 HydrophobicContact CE2-CD2 3.97Å; T73-L153 PolarHBondContact O-N 2.85Å; V74-L153 CarbonylContact C-O 3.52Å; V74-L153 VanDerWaalsContact CA-O 3.24Å; V74-L153 WeakPolarHBondContact CA-O 3.25Å; V74-L153 HydrophobicContact CG2-CB 4.03Å; V74-L153 HydrophobicContact CG2-CD2 4.01Å; V74-L153 HydrophobicContact CG2-CG 4.24Å; I75-L153 PolarHBondContact N-O 3.16Å; L153-L155 HydrophobicContact CD1-CD2 4.29Å; L153-L155 HydrophobicContact CD1-CG 4.18Å; L153-L155 HydrophobicContact CD2-CD1 3.89Å; L153-L155 HydrophobicContact CD2-CG 4.4Å; L153-L155 HydrophobicContact CG-CD1 3.92Å; L153-L155 HydrophobicContact CG-CG 3.96Å; L153-I166 HydrophobicContact CD2-CD1 4.08Å; L153-I166 HydrophobicContact CD2-CG1 4.14Å; L153-I166 HydrophobicContact CD2-CG2 3.77Å; L153-F223 HydrophobicContact CB-CD1 3.91Å; L153-F223 HydrophobicContact CB-CE1 3.6Å; L153-F223 HydrophobicContact CB-CE2 4.45Å; L153-F223 HydrophobicContact CB-CG 4.48Å; L153-F223 HydrophobicContact CB-CZ 3.89Å; L153-F223 HydrophobicContact CD1-CD2 3.94Å; L153-F223 HydrophobicContact CD1-CE1 4.48Å; L153-F223 HydrophobicContact CD1-CE2 3.87Å; L153-F223 HydrophobicContact CD1-CG 4.27Å; L153-F223 HydrophobicContact CD1-CZ 4.16Å; L153-F223 HydrophobicContact CD2-CE1 4.38Å; L153-F223 HydrophobicContact CD2-CE2 4.11Å; L153-F223 HydrophobicContact CD2-CZ 3.8Å; L153-F223 HydrophobicContact CG-CE1 4.36Å; L153-F223 HydrophobicContact CG-CE2 4.37Å; L153-F223 HydrophobicContact CG-CZ 4.16Å
154	M	98.9	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.4	174.3	-177.2	172.9	-73.2	0	0	110.2	I75 R140 L141 I219 G220 A221 A222 F224	I75-M154 HydrophobicContact CB-CE 4.49Å; I75-M154 HydrophobicContact CD1-CE 4.48Å; I75-M154 HydrophobicContact CG2-CE 4.35Å; I75-M154 WeakPolarHBondContact O-CA 3.49Å; R140-M154 HydrophobicContact CB-CE 4.01Å; R140-M154 HydrophobicContact CG-CE 3.85Å; R140-M154 HydrophobicContact CG-SD 3.98Å; R140-M154 VanDerWaalsContact O-CE 3.23Å; R140-M154 WeakPolarHBondContact O-CE 3.22Å; L141-M154 HydrophobicContact CD2-CE 3.98Å; L141-M154 HydrophobicContact CD2-SD 4.49Å; M154-I219 CarbonylContact C-O 3.58Å; M154-I219 WeakPolarHBondContact CB-O 3.45Å; M154-I219 VanDerWaalsContact CG-O 3.29Å; M154-I219 WeakPolarHBondContact CG-O 3.46Å; M154-I219 VanDerWaalsContact O-O 3.1Å; M154-I219 HydrophobicContact SD-CB 4.07Å; M154-I219 HydrophobicContact SD-CD1 3.65Å; M154-I219 HydrophobicContact SD-CG1 3.72Å; M154-G220 CarbonylContact O-C 3.52Å; M154-A221 WeakPolarHBondContact O-CA 3.46Å; M154-A221 PolarHBondContact O-N 3.2Å; M154-A222 PolarHBondContact N-O 3.48Å; M154-A222 PolarHBondContact O-N 3.49Å; M154-A222 VanDerWaalsContact O-N 3.13Å; M154-F224 HydrophobicContact CB-CE1 3.61Å; M154-F224 HydrophobicContact CB-CZ 4.21Å; M154-F224 HydrophobicContact CE-CE1 4.09Å; M154-F224 HydrophobicContact CE-CZ 3.7Å; M154-F224 HydrophobicContact SD-CE1 4.16Å; M154-F224 HydrophobicContact SD-CZ 4.37Å
155	L	98.8	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.5	-176.1	-69.1	162.5	0	0	0	109.9	V74 I75 I76 Y92 L153 V161 G220 A221	V74-L155 HydrophobicContact CG1-CD1 4.13Å; I75-L155 PolarHBondContact O-N 3.4Å; I75-L155 VanDerWaalsContact O-N 3.07Å; I76-L155 HydrophobicContact CG1-CB 4.1Å; Y92-L155 HydrophobicContact CD1-CD1 4.15Å; Y92-L155 HydrophobicContact CD2-CD1 4.13Å; Y92-L155 HydrophobicContact CE1-CD1 3.73Å; Y92-L155 HydrophobicContact CE2-CD1 3.66Å; Y92-L155 HydrophobicContact CG-CD1 4.37Å; Y92-L155 VanDerWaalsContact CZ-CD1 3.45Å; L153-L155 HydrophobicContact CD1-CD2 4.29Å; L153-L155 HydrophobicContact CD1-CG 4.18Å; L153-L155 HydrophobicContact CD2-CD1 3.89Å; L153-L155 HydrophobicContact CD2-CG 4.4Å; L153-L155 HydrophobicContact CG-CD1 3.92Å; L153-L155 HydrophobicContact CG-CG 3.96Å; L155-V161 HydrophobicContact CD2-CG2 3.79Å; L155-G220 CarbonylContact C-O 3.42Å; L155-G220 VanDerWaalsContact CA-O 3.26Å; L155-G220 WeakPolarHBondContact CA-O 3.33Å; L155-A221 HydrophobicContact CD2-CB 4.47Å
156	D	98.6	Very high	98.2	Very high	55 Å²	55	18.1 Å²	18.1	29%	0.294	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	146.5	166.1	-68.2	-21.5	0	0	0	109.7	R140 D158 T159 G220	R140-D156 IonicContact CZ-OD1 3.87Å; R140-D156 IonicContact NH1-OD1 3.81Å; R140-D156 PolarHBondContact NH1-OD1 3.43Å; R140-D156 IonicContact NH2-OD1 2.82Å; D156-D158 PolarHBondContact O-N 2.86Å; D156-T159 PolarHBondContact O-N 2.65Å; D156-G220 PolarHBondContact N-O 2.97Å; D156-G220 WeakPolarHBondContact OD1-CA 3.48Å
157	D	97.9	Very high	98.2	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.053	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	9.4	-175.6	71.9	-13.7	0	0	0	115.1	I76 Q77 T78 Y79 R81 I84 L88	I76-D157 HydrophobicContact CG2-CB 3.84Å; Q77-D157 WeakPolarHBondContact O-CB 3.15Å; T78-D157 WeakPolarHBondContact CA-OD2 3.38Å; T78-D157 WeakPolarHBondContact CB-OD2 3.49Å; T78-D157 PolarHBondContact OG1-OD2 3.43Å; Y79-D157 PolarHBondContact N-OD2 2.75Å; R81-D157 WeakPolarHBondContact CB-OD2 3.35Å; R81-D157 WeakPolarHBondContact CD-OD1 3.36Å; R81-D157 WeakPolarHBondContact CD-OD2 3.33Å; R81-D157 IonicContact CZ-OD1 2.88Å; R81-D157 IonicContact NE-OD1 3.11Å; R81-D157 IonicContact NH1-OD1 3.38Å; R81-D157 PolarHBondContact NH1-OD1 2.88Å; I84-D157 WeakPolarHBondContact CG2-O 3.43Å; L88-D157 VanDerWaalsContact CD1-C 3.48Å; L88-D157 VanDerWaalsContact CD1-O 3.29Å; L88-D157 WeakPolarHBondContact CD1-O 3.5Å
158	D	97.6	Very high	98.3	Very high	11 Å²	11	18.5 Å²	18.5	6%	0.059	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	6.4	171.2	61.2	9.2	0	0	0	112.8	R81 D156 N286 L287 E288	R81-D158 IonicContact CZ-OD2 2.75Å; R81-D158 IonicContact NH1-OD1 3.49Å; R81-D158 IonicContact NH1-OD2 3.03Å; R81-D158 PolarHBondContact NH1-OD2 2.88Å; R81-D158 IonicContact NH2-OD2 3.9Å; R81-D158 PolarHBondContact NH2-OD2 2.79Å; D156-D158 PolarHBondContact O-N 2.86Å; D158-N286 CarbonylContact O-C 3.54Å; D158-N286 WeakPolarHBondContact O-CA 3.37Å; D158-L287 PolarHBondContact O-N 2.92Å; D158-E288 HydrophobicContact CB-CB 4.25Å
159	T	98	Very high	98.4	Very high	13 Å²	13	16.4 Å²	16.4	8%	0.08	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.2	-176.4	-64.2	0	0	0	0	110.3	Y92 D156 V161 A221 L284	Y92-T159 PolarHBondContact OH-O 2.96Å; D156-T159 PolarHBondContact O-N 2.65Å; T159-V161 HydrophobicContact CG2-CG2 3.89Å; T159-A221 HydrophobicContact CG2-CB 4.18Å; T159-L284 HydrophobicContact CG2-CD1 4.43Å; T159-L284 HydrophobicContact CG2-CD2 4.24Å; T159-L284 HydrophobicContact CG2-CG 4.19Å
160	L	98.6	Very high	98.4	Very high	19 Å²	19	16.5 Å²	16.5	10%	0.099	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.4	173.5	178.7	63.9	0	0	0	109.6	L88 H91 Y92 L284 R285 L287	L88-L160 HydrophobicContact CD2-CB 3.95Å; L88-L160 HydrophobicContact CD2-CD1 3.92Å; H91-L160 HydrophobicContact CB-CD1 4.08Å; H91-L160 WeakPolarHBondContact CD2-CD1 3.23Å; Y92-L160 WeakPolarHBondContact OH-CA 3.45Å; L160-L284 WeakPolarHBondContact O-CA 3.28Å; L160-R285 HydrophobicContact CB-CB 4.41Å; L160-R285 PolarHBondContact N-O 2.94Å; L160-R285 PolarHBondContact O-N 3.28Å; L160-L287 HydrophobicContact CB-CD1 3.94Å; L160-L287 HydrophobicContact CB-CD2 4.45Å; L160-L287 HydrophobicContact CB-CG 4.08Å; L160-L287 HydrophobicContact CD2-CD1 4.3Å; L160-L287 HydrophobicContact CD2-CD2 4.5Å
161	V	98.7	Very high	98.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.1	174.6	-171.7	0	0	0	0	109.6	H91 Y92 L155 T159 D165 I166 F183 L284	H91-V161 PolarHBondContact NE2-O 2.67Å; Y92-V161 PolarHBondContact OH-N 3.46Å; L155-V161 HydrophobicContact CD2-CG2 3.79Å; T159-V161 HydrophobicContact CG2-CG2 3.89Å; V161-D165 HydrophobicContact CG1-CB 3.66Å; V161-I166 HydrophobicContact CB-CD1 4.16Å; V161-I166 HydrophobicContact CB-CG1 4.01Å; V161-I166 HydrophobicContact CG1-CD1 4.45Å; V161-I166 HydrophobicContact CG1-CG1 3.79Å; V161-F183 HydrophobicContact CG1-CD2 4.25Å; V161-F183 HydrophobicContact CG1-CE1 4.4Å; V161-F183 HydrophobicContact CG1-CE2 3.76Å; V161-F183 HydrophobicContact CG1-CZ 3.83Å; V161-F183 HydrophobicContact CG2-CD2 4.24Å; V161-F183 HydrophobicContact CG2-CE2 4.23Å; V161-L284 HydrophobicContact CG2-CD1 4.09Å; V161-L284 HydrophobicContact CG2-CG 4.22Å
162	S	98.5	Very high	98.4	Very high	13 Å²	13	16.8 Å²	16.8	9%	0.091	10%	0.099	C	C	.	.			trans	-62.8	152.2	-179.6	83.4	0	0	0	0	113.2	P164 D165 I166 D283	S162-P164 WeakPolarHBondContact OG-CD 3.42Å; S162-D165 PolarHBondContact O-N 3Å; S162-D165 WeakPolarHBondContact OG-CB 2.91Å; S162-D165 VanDerWaalsContact OG-CG 3.27Å; S162-D165 PolarHBondContact OG-N 2.92Å; S162-D165 PolarHBondContact OG-OD2 2.92Å; S162-I166 WeakPolarHBondContact O-CG1 3.19Å; S162-I166 PolarHBondContact O-N 3.47Å; S162-D283 WeakPolarHBondContact CB-O 3.39Å; S162-D283 PolarHBondContact N-O 3.45Å
163	V	98.3	Very high	98.4	Very high	44 Å²	44	17.3 Å²	17.3	27%	0.267	10%	0.101	S	C	.	.	H	α-helix	trans	-58.7	-42.7	177.6	-177.3	0	0	0	0	112.2	V95 P96 D165 I166 T167	V95-V163 HydrophobicContact CG1-CG1 4.45Å; V95-V163 HydrophobicContact CG2-CG2 4.17Å; P96-V163 HydrophobicContact CG-CG1 4.37Å; V163-D165 PolarHBondContact O-N 3.07Å; V163-I166 PolarHBondContact O-N 2.97Å; V163-T167 WeakPolarHBondContact O-CB 3.33Å; V163-T167 PolarHBondContact O-N 3.35Å; V163-T167 PolarHBondContact O-OG1 3.37Å
164	P	97.9	Very high	98.4	Very high	54 Å²	54	22.1 Å²	22.1	35%	0.351	12%	0.122	S	C	.	.	H	α-helix	trans	-58.7	-43.9	173.7	-26.7	36.4	0	0	0	113.5	S162 T167 F168 F336	S162-P164 WeakPolarHBondContact OG-CD 3.42Å; P164-T167 PolarHBondContact O-N 3.07Å; P164-F168 WeakPolarHBondContact O-CB 3.41Å; P164-F168 PolarHBondContact O-N 3.39Å; P164-F336 HydrophobicContact CB-CE1 3.7Å; P164-F336 HydrophobicContact CB-CE2 4.3Å; P164-F336 HydrophobicContact CB-CZ 3.5Å; P164-F336 VanDerWaalsContact CB-CZ 3.5Å; P164-F336 HydrophobicContact CG-CZ 3.89Å
165	D	98.6	Very high	98.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-42.9	179	-74.3	-53.1	0	0	0	111.8	V161 S162 V163 F168 A169 F183 P281 V282 D283	V161-D165 HydrophobicContact CG1-CB 3.66Å; S162-D165 PolarHBondContact O-N 3Å; S162-D165 WeakPolarHBondContact OG-CB 2.91Å; S162-D165 VanDerWaalsContact OG-CG 3.27Å; S162-D165 PolarHBondContact OG-N 2.92Å; S162-D165 PolarHBondContact OG-OD2 2.92Å; V163-D165 PolarHBondContact O-N 3.07Å; D165-F168 PolarHBondContact O-N 3.45Å; D165-A169 VanDerWaalsContact O-CB 3.25Å; D165-A169 WeakPolarHBondContact O-CB 3.38Å; D165-A169 PolarHBondContact O-N 2.82Å; D165-F183 HydrophobicContact CB-CE1 4.12Å; D165-F183 HydrophobicContact CB-CZ 4.39Å; D165-P281 WeakPolarHBondContact OD1-CA 3.42Å; D165-V282 VanDerWaalsContact CG-N 3.33Å; D165-V282 PolarHBondContact OD1-N 3.45Å; D165-V282 PolarHBondContact OD2-N 2.81Å; D165-V282 VanDerWaalsContact OD2-N 3.16Å; D165-D283 PolarHBondContact OD2-N 2.75Å
166	I	98.8	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-46.9	175.7	-67.5	171.1	0	0	0	110.9	F72 Y92 V95 L153 V161 S162 V163 F168 A169 F170 F223	F72-I166 HydrophobicContact CE1-CG2 4.48Å; F72-I166 HydrophobicContact CE2-CG2 4.37Å; F72-I166 HydrophobicContact CZ-CG2 3.81Å; Y92-I166 HydrophobicContact CD1-CD1 3.8Å; Y92-I166 HydrophobicContact CE1-CD1 3.57Å; V95-I166 HydrophobicContact CG1-CB 4.32Å; V95-I166 HydrophobicContact CG1-CG2 3.74Å; V95-I166 HydrophobicContact CG2-CD1 4.17Å; L153-I166 HydrophobicContact CD2-CD1 4.08Å; L153-I166 HydrophobicContact CD2-CG1 4.14Å; L153-I166 HydrophobicContact CD2-CG2 3.77Å; V161-I166 HydrophobicContact CB-CD1 4.16Å; V161-I166 HydrophobicContact CB-CG1 4.01Å; V161-I166 HydrophobicContact CG1-CD1 4.45Å; V161-I166 HydrophobicContact CG1-CG1 3.79Å; S162-I166 WeakPolarHBondContact O-CG1 3.19Å; S162-I166 PolarHBondContact O-N 3.47Å; V163-I166 PolarHBondContact O-N 2.97Å; I166-F168 VanDerWaalsContact C-N 3.33Å; I166-F168 PolarHBondContact O-N 3.11Å; I166-A169 PolarHBondContact O-N 3.48Å; I166-F170 WeakPolarHBondContact O-CB 3.44Å; I166-F170 PolarHBondContact O-N 3.22Å; I166-F223 HydrophobicContact CG2-CE2 3.97Å; I166-F223 HydrophobicContact CG2-CZ 3.77Å
167	T	98	Very high	98.1	Very high	54 Å²	54	31.4 Å²	31.4	33%	0.331	17%	0.167	S	C	.	.	H	α-helix	trans	-61.7	-43.7	-179	-56.6	0	0	0	0	110.8	V163 P164 S171	V163-T167 WeakPolarHBondContact O-CB 3.33Å; V163-T167 PolarHBondContact O-N 3.35Å; V163-T167 PolarHBondContact O-OG1 3.37Å; P164-T167 PolarHBondContact O-N 3.07Å; T167-S171 PolarHBondContact O-N 3Å; T167-S171 VanDerWaalsContact O-N 3.14Å
168	F	98.4	Very high	98	Very high	30 Å²	30	33 Å²	33	13%	0.132	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-48.3	177.8	179.3	-118.4	0	0	0	111.7	P164 D165 I166 F170 S171 V172 V279 V331 Q333	P164-F168 WeakPolarHBondContact O-CB 3.41Å; P164-F168 PolarHBondContact O-N 3.39Å; D165-F168 PolarHBondContact O-N 3.45Å; I166-F168 VanDerWaalsContact C-N 3.33Å; I166-F168 PolarHBondContact O-N 3.11Å; F168-F170 VanDerWaalsContact C-N 3.27Å; F168-F170 PolarHBondContact O-N 3.47Å; F168-S171 WeakPolarHBondContact O-CA 3.45Å; F168-S171 WeakPolarHBondContact O-CB 3.33Å; F168-S171 PolarHBondContact O-N 2.86Å; F168-S171 PolarHBondContact O-OG 3.49Å; F168-V172 HydrophobicContact CE1-CG2 4.11Å; F168-V172 HydrophobicContact CE2-CG2 4.08Å; F168-V172 HydrophobicContact CZ-CG2 3.87Å; F168-V172 WeakPolarHBondContact O-CG2 3.3Å; F168-V172 PolarHBondContact O-N 2.89Å; F168-V279 HydrophobicContact CD1-CG1 3.77Å; F168-V279 HydrophobicContact CE1-CG1 3.86Å; F168-V331 HydrophobicContact CE1-CG1 3.99Å; F168-V331 HydrophobicContact CZ-CG1 3.74Å; F168-Q333 HydrophobicContact CD1-CB 3.89Å; F168-Q333 HydrophobicContact CD2-CB 3.82Å; F168-Q333 HydrophobicContact CD2-CG 3.81Å; F168-Q333 HydrophobicContact CE1-CB 3.88Å; F168-Q333 VanDerWaalsContact CE1-N 3.35Å; F168-Q333 HydrophobicContact CE2-CB 3.81Å; F168-Q333 HydrophobicContact CE2-CG 3.97Å; F168-Q333 HydrophobicContact CG-CB 3.86Å; F168-Q333 HydrophobicContact CG-CG 4.21Å; F168-Q333 VanDerWaalsContact CZ-CA 3.48Å; F168-Q333 HydrophobicContact CZ-CB 3.84Å; F168-Q333 HydrophobicContact CZ-CG 4.49Å
169	A	98.7	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-36.9	177.5	0	0	0	0	0	112.3	D165 I166 S171 V172 W173 F183 F223 V279	D165-A169 VanDerWaalsContact O-CB 3.25Å; D165-A169 WeakPolarHBondContact O-CB 3.38Å; D165-A169 PolarHBondContact O-N 2.82Å; I166-A169 PolarHBondContact O-N 3.48Å; A169-S171 VanDerWaalsContact C-N 3.33Å; A169-S171 PolarHBondContact O-N 3.32Å; A169-V172 PolarHBondContact O-N 2.87Å; A169-W173 PolarHBondContact O-N 3.35Å; A169-F183 HydrophobicContact CB-CE1 3.7Å; A169-F183 HydrophobicContact CB-CE2 4.47Å; A169-F183 HydrophobicContact CB-CZ 3.44Å; A169-F183 VanDerWaalsContact CB-CZ 3.44Å; A169-F223 HydrophobicContact CB-CD2 3.95Å; A169-F223 HydrophobicContact CB-CE2 4.08Å; A169-V279 HydrophobicContact CB-CG1 4.45Å
170	F	98.7	Very high	98.1	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-40.8	173.6	-176.5	-129.4	0	0	0	111.6	F72 H97 A151 I166 F168 V172 W173 K174 F223	F72-F170 HydrophobicContact CB-CD2 4.34Å; F72-F170 HydrophobicContact CB-CE2 3.98Å; F72-F170 HydrophobicContact CB-CZ 4.45Å; F72-F170 AromaticContact CD1-CD1 3.98Å; F72-F170 HydrophobicContact CD1-CD1 3.98Å; F72-F170 AromaticContact CD1-CD2 3.91Å; F72-F170 HydrophobicContact CD1-CD2 3.91Å; F72-F170 HydrophobicContact CD1-CE1 4.02Å; F72-F170 AromaticContact CD1-CE2 3.98Å; F72-F170 HydrophobicContact CD1-CE2 3.98Å; F72-F170 AromaticContact CD1-CG 3.93Å; F72-F170 HydrophobicContact CD1-CG 3.93Å; F72-F170 HydrophobicContact CD1-CZ 4.03Å; F72-F170 HydrophobicContact CE1-CD1 4.25Å; F72-F170 HydrophobicContact CE1-CG 4.29Å; F72-F170 HydrophobicContact CG-CD2 4.44Å; F72-F170 HydrophobicContact CG-CE2 4.42Å; H97-F170 HydrophobicContact CB-CD1 4.25Å; H97-F170 HydrophobicContact CB-CE1 3.84Å; A151-F170 HydrophobicContact CB-CD2 4.31Å; A151-F170 HydrophobicContact CB-CE2 3.71Å; I166-F170 WeakPolarHBondContact O-CB 3.44Å; I166-F170 PolarHBondContact O-N 3.22Å; F168-F170 VanDerWaalsContact C-N 3.27Å; F168-F170 PolarHBondContact O-N 3.47Å; F170-V172 VanDerWaalsContact C-N 3.31Å; F170-V172 PolarHBondContact O-N 3.43Å; F170-W173 HydrophobicContact CD2-CE3 4.15Å; F170-W173 AromaticContact CE2-CE3 3.88Å; F170-W173 HydrophobicContact CE2-CE3 3.88Å; F170-W173 HydrophobicContact CE2-CZ3 4.17Å; F170-W173 PolarHBondContact O-N 3.4Å; F170-K174 HydrophobicContact CE1-CD 4.27Å; F170-K174 HydrophobicContact CE2-CG 4.36Å; F170-K174 HydrophobicContact CZ-CD 4.22Å; F170-K174 HydrophobicContact CZ-CG 4.4Å; F170-K174 WeakPolarHBondContact O-CG 3.49Å; F170-K174 PolarHBondContact O-N 2.95Å; F170-F223 HydrophobicContact CB-CE1 4.1Å; F170-F223 HydrophobicContact CB-CE2 3.92Å; F170-F223 HydrophobicContact CB-CZ 3.65Å; F170-F223 HydrophobicContact CD2-CD1 4.05Å; F170-F223 AromaticContact CD2-CE1 3.65Å; F170-F223 HydrophobicContact CD2-CE1 3.65Å; F170-F223 HydrophobicContact CD2-CZ 4.11Å; F170-F223 HydrophobicContact CG-CE1 4.18Å; F170-F223 HydrophobicContact CG-CZ 4.18Å
171	S	98.1	Very high	98.1	Very high	40 Å²	40	31.2 Å²	31.2	28%	0.28	17%	0.166	S	C	.	.	H	α-helix	trans	-64.3	-33.7	174.8	82.8	0	0	0	0	113.4	T167 F168 A169 Q175	T167-S171 PolarHBondContact O-N 3Å; T167-S171 VanDerWaalsContact O-N 3.14Å; F168-S171 WeakPolarHBondContact O-CA 3.45Å; F168-S171 WeakPolarHBondContact O-CB 3.33Å; F168-S171 PolarHBondContact O-N 2.86Å; F168-S171 PolarHBondContact O-OG 3.49Å; A169-S171 VanDerWaalsContact C-N 3.33Å; A169-S171 PolarHBondContact O-N 3.32Å; S171-Q175 PolarHBondContact O-NE2 3.49Å; S171-Q175 VanDerWaalsContact O-NE2 3.08Å
172	V	98.6	Very high	98.1	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-71.3	-45	173.1	176.1	0	0	0	0	109.6	F168 A169 F170 K174 Q175 F176 V181 I277 V279 V331	F168-V172 HydrophobicContact CE1-CG2 4.11Å; F168-V172 HydrophobicContact CE2-CG2 4.08Å; F168-V172 HydrophobicContact CZ-CG2 3.87Å; F168-V172 WeakPolarHBondContact O-CG2 3.3Å; F168-V172 PolarHBondContact O-N 2.89Å; A169-V172 PolarHBondContact O-N 2.87Å; F170-V172 VanDerWaalsContact C-N 3.31Å; F170-V172 PolarHBondContact O-N 3.43Å; V172-K174 VanDerWaalsContact C-N 3.28Å; V172-K174 PolarHBondContact O-N 3.02Å; V172-Q175 WeakPolarHBondContact O-CA 3.5Å; V172-Q175 WeakPolarHBondContact O-CB 3.33Å; V172-Q175 PolarHBondContact O-N 3.42Å; V172-F176 HydrophobicContact CG1-CD2 3.87Å; V172-F176 HydrophobicContact CG1-CE2 4.23Å; V172-F176 WeakPolarHBondContact O-CD2 3.36Å; V172-F176 PolarHBondContact O-N 2.91Å; V172-F176 VanDerWaalsContact O-N 3.11Å; V172-V181 HydrophobicContact CB-CG1 3.98Å; V172-V181 HydrophobicContact CG1-CG1 3.71Å; V172-V181 HydrophobicContact CG1-CG2 4.38Å; V172-I277 HydrophobicContact CG1-CG2 4.26Å; V172-V279 HydrophobicContact CB-CG2 4.31Å; V172-V279 HydrophobicContact CG1-CG2 4.14Å; V172-V279 HydrophobicContact CG2-CG2 4.3Å; V172-V331 HydrophobicContact CG2-CG1 3.97Å
173	W	98.6	Very high	98.1	Very high	11 Å²	11	31 Å²	31	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-40.5	177.2	177.9	82.7	0	0	0	112.4	N150 A151 A169 F170 Q175 F176 P177 V181 F223 H225	N150-W173 HydrophobicContact CB-CH2 3.99Å; A151-W173 HydrophobicContact CB-CD2 3.91Å; A151-W173 HydrophobicContact CB-CE3 3.62Å; A151-W173 HydrophobicContact CB-CH2 3.49Å; A151-W173 VanDerWaalsContact CB-CH2 3.49Å; A151-W173 HydrophobicContact CB-CZ2 3.76Å; A151-W173 HydrophobicContact CB-CZ3 3.43Å; A151-W173 VanDerWaalsContact CB-CZ3 3.43Å; A169-W173 PolarHBondContact O-N 3.35Å; F170-W173 HydrophobicContact CD2-CE3 4.15Å; F170-W173 AromaticContact CE2-CE3 3.88Å; F170-W173 HydrophobicContact CE2-CE3 3.88Å; F170-W173 HydrophobicContact CE2-CZ3 4.17Å; F170-W173 PolarHBondContact O-N 3.4Å; W173-Q175 PolarHBondContact O-N 2.79Å; W173-Q175 VanDerWaalsContact O-N 3.13Å; W173-F176 CarbonylContact O-C 3.55Å; W173-F176 PolarHBondContact O-N 3.1Å; W173-P177 HydrophobicContact CH2-CB 4.42Å; W173-P177 HydrophobicContact CZ2-CB 4.19Å; W173-P177 VanDerWaalsContact O-CA 3.29Å; W173-P177 WeakPolarHBondContact O-CA 3.48Å; W173-V181 HydrophobicContact CB-CB 4.13Å; W173-V181 HydrophobicContact CB-CG2 4.05Å; W173-F223 HydrophobicContact CB-CB 3.86Å; W173-F223 HydrophobicContact CB-CG 4.36Å; W173-F223 HydrophobicContact CG-CB 3.81Å; W173-H225 HydrophobicContact CZ2-CB 4.13Å
174	K	97.4	Very high	98.2	Very high	101 Å²	101	30.4 Å²	30.4	44%	0.439	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.1	175	-71.5	-171.8	-63.4	179.8	0	113.7	F170 V172	F170-K174 HydrophobicContact CE1-CD 4.27Å; F170-K174 HydrophobicContact CE2-CG 4.36Å; F170-K174 HydrophobicContact CZ-CD 4.22Å; F170-K174 HydrophobicContact CZ-CG 4.4Å; F170-K174 WeakPolarHBondContact O-CG 3.49Å; F170-K174 PolarHBondContact O-N 2.95Å; V172-K174 VanDerWaalsContact C-N 3.28Å; V172-K174 PolarHBondContact O-N 3.02Å
175	Q	97.1	Very high	98.2	Very high	139 Å²	139	29 Å²	29	65%	0.65	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.2	176.3	-65.4	170.9	79.8	0	0	112.8	S171 V172 W173 P177	S171-Q175 PolarHBondContact O-NE2 3.49Å; S171-Q175 VanDerWaalsContact O-NE2 3.08Å; V172-Q175 WeakPolarHBondContact O-CA 3.5Å; V172-Q175 WeakPolarHBondContact O-CB 3.33Å; V172-Q175 PolarHBondContact O-N 3.42Å; W173-Q175 PolarHBondContact O-N 2.79Å; W173-Q175 VanDerWaalsContact O-N 3.13Å; Q175-P177 VanDerWaalsContact C-CD 3.42Å
176	F	97.1	Very high	98.2	Very high	64 Å²	64	32.3 Å²	32.3	28%	0.281	16%	0.163	S	C	.	.	S	Bend	trans	-129.2	56.3	179.2	-57.3	-82.4	0	0	0	111.3	V172 W173 D178 Q179 V181 I277	V172-F176 HydrophobicContact CG1-CD2 3.87Å; V172-F176 HydrophobicContact CG1-CE2 4.23Å; V172-F176 WeakPolarHBondContact O-CD2 3.36Å; V172-F176 PolarHBondContact O-N 2.91Å; V172-F176 VanDerWaalsContact O-N 3.11Å; W173-F176 CarbonylContact O-C 3.55Å; W173-F176 PolarHBondContact O-N 3.1Å; F176-D178 PolarHBondContact O-N 2.81Å; F176-D178 VanDerWaalsContact O-N 3.13Å; F176-Q179 HydrophobicContact CB-CB 4.37Å; F176-Q179 PolarHBondContact O-N 3.15Å; F176-V181 HydrophobicContact CB-CG2 4.37Å; F176-I277 HydrophobicContact CB-CG1 4.26Å; F176-I277 HydrophobicContact CD1-CD1 4.37Å; F176-I277 HydrophobicContact CD1-CG1 4.47Å; F176-I277 HydrophobicContact CD2-CG1 4.45Å; F176-I277 HydrophobicContact CG-CG1 4.15Å
177	P	96.6	Very high	98.1	Very high	46 Å²	46	32.4 Å²	32.4	30%	0.299	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.9	-167	26.1	-36	0	0	0	113.7	W173 Q175 Q179 H225	W173-P177 HydrophobicContact CH2-CB 4.42Å; W173-P177 HydrophobicContact CZ2-CB 4.19Å; W173-P177 VanDerWaalsContact O-CA 3.29Å; W173-P177 WeakPolarHBondContact O-CA 3.48Å; Q175-P177 VanDerWaalsContact C-CD 3.42Å; P177-Q179 VanDerWaalsContact C-N 3.35Å; P177-H225 WeakPolarHBondContact O-CB 3.39Å
178	D	96.7	Very high	98	Very high	43 Å²	43	30.2 Å²	30.2	23%	0.23	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	8	176.9	-55.7	-54.1	0	0	0	113.7	F176 R227 Y228 L262	F176-D178 PolarHBondContact O-N 2.81Å; F176-D178 VanDerWaalsContact O-N 3.13Å; D178-R227 IonicContact OD1-CZ 3.91Å; D178-R227 IonicContact OD1-NH1 2.88Å; D178-R227 PolarHBondContact OD1-NH1 3.27Å; D178-R227 IonicContact OD1-NH2 2.58Å; D178-Y228 VanDerWaalsContact CA-OH 3.31Å; D178-Y228 WeakPolarHBondContact CA-OH 3.36Å; D178-Y228 PolarHBondContact O-OH 2.75Å; D178-L262 HydrophobicContact CB-CD2 3.74Å; D178-L262 WeakPolarHBondContact O-CD2 3.37Å
179	Q	98.3	Very high	97.8	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.033	15%	0.147	C	C	.	.	S	Bend	trans	-121.5	157.1	178.7	-70.8	176.2	-106.6	0	0	111.2	F176 P177 V181 L262 P274 I277	F176-Q179 HydrophobicContact CB-CB 4.37Å; F176-Q179 PolarHBondContact O-N 3.15Å; P177-Q179 VanDerWaalsContact C-N 3.35Å; Q179-V181 PolarHBondContact O-N 2.82Å; Q179-L262 HydrophobicContact CG-CD1 3.93Å; Q179-P274 PolarHBondContact NE2-O 3.03Å; Q179-I277 HydrophobicContact CB-CG1 4.27Å; Q179-I277 VanDerWaalsContact NE2-CD1 3.32Å
180	I	98.9	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.7	172.4	-57.2	166.1	0	0	0	108.1	V217 I219 A222 F223 F224 V254 V258 S275 G276 I277	I180-V217 HydrophobicContact CG2-CB 4.01Å; I180-V217 HydrophobicContact CG2-CG1 4.03Å; I180-I219 HydrophobicContact CD1-CG2 4.32Å; I180-I219 HydrophobicContact CG2-CG2 4.31Å; I180-A222 HydrophobicContact CG2-CB 3.65Å; I180-F223 CarbonylContact C-O 3.55Å; I180-F223 WeakPolarHBondContact CA-O 3.49Å; I180-F224 HydrophobicContact CG1-CB 4.23Å; I180-V254 HydrophobicContact CD1-CG1 4.09Å; I180-V258 HydrophobicContact CD1-CB 4.24Å; I180-V258 HydrophobicContact CD1-CG2 3.95Å; I180-V258 HydrophobicContact CG1-CG1 4.39Å; I180-V258 HydrophobicContact CG1-CG2 4.11Å; I180-S275 PolarHBondContact N-O 3.16Å; I180-G276 CarbonylContact O-C 3.07Å; I180-G276 WeakPolarHBondContact O-CA 2.94Å; I180-I277 PolarHBondContact O-N 3.49Å
181	V	98.9	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.2	179.6	-179.9	0	0	0	0	109	V172 W173 F176 Q179 A222 F223 I277 V279	V172-V181 HydrophobicContact CB-CG1 3.98Å; V172-V181 HydrophobicContact CG1-CG1 3.71Å; V172-V181 HydrophobicContact CG1-CG2 4.38Å; W173-V181 HydrophobicContact CB-CB 4.13Å; W173-V181 HydrophobicContact CB-CG2 4.05Å; F176-V181 HydrophobicContact CB-CG2 4.37Å; Q179-V181 PolarHBondContact O-N 2.82Å; V181-A222 CarbonylContact O-C 3.48Å; V181-A222 WeakPolarHBondContact O-CA 3.44Å; V181-F223 HydrophobicContact CB-CB 4.43Å; V181-F223 PolarHBondContact N-O 3.05Å; V181-F223 PolarHBondContact O-N 2.62Å; V181-I277 HydrophobicContact CG2-CB 4.19Å; V181-I277 HydrophobicContact CG2-CG1 4.41Å; V181-V279 HydrophobicContact CG1-CG2 3.53Å
182	G	98.8	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-178.6	-172	0	0	0	0	0	114.9	A221 I277 V279	G182-A221 WeakPolarHBondContact CA-O 3.3Å; G182-I277 PolarHBondContact N-O 3.31Å; G182-I277 VanDerWaalsContact N-O 3.12Å; G182-V279 PolarHBondContact O-N 2.88Å
183	F	98.8	Very high	95.2	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.031	25%	0.254	C	S	.	.	S	Bend	trans	-103.6	-10.9	-163.2	-50.4	-72.9	0	0	0	114.2	V161 D165 A169 P185 A221 V279 P281 L284	V161-F183 HydrophobicContact CG1-CD2 4.25Å; V161-F183 HydrophobicContact CG1-CE1 4.4Å; V161-F183 HydrophobicContact CG1-CE2 3.76Å; V161-F183 HydrophobicContact CG1-CZ 3.83Å; V161-F183 HydrophobicContact CG2-CD2 4.24Å; V161-F183 HydrophobicContact CG2-CE2 4.23Å; D165-F183 HydrophobicContact CB-CE1 4.12Å; D165-F183 HydrophobicContact CB-CZ 4.39Å; A169-F183 HydrophobicContact CB-CE1 3.7Å; A169-F183 HydrophobicContact CB-CE2 4.47Å; A169-F183 HydrophobicContact CB-CZ 3.44Å; A169-F183 VanDerWaalsContact CB-CZ 3.44Å; F183-P185 WeakPolarHBondContact O-CD 3.33Å; F183-A221 HydrophobicContact CD2-CB 3.96Å; F183-A221 WeakPolarHBondContact CD2-O 3.32Å; F183-A221 PolarHBondContact N-O 3.09Å; F183-A221 VanDerWaalsContact N-O 3.09Å; F183-V279 HydrophobicContact CD1-CB 4.28Å; F183-V279 HydrophobicContact CD1-CG1 4.32Å; F183-V279 HydrophobicContact CE1-CB 4.33Å; F183-V279 HydrophobicContact CE1-CG1 4.09Å; F183-P281 HydrophobicContact CB-CB 4.3Å; F183-P281 HydrophobicContact CB-CG 4.13Å; F183-P281 HydrophobicContact CD1-CB 3.91Å; F183-P281 HydrophobicContact CG-CB 4.35Å; F183-L284 HydrophobicContact CB-CD1 3.48Å; F183-L284 VanDerWaalsContact CB-CD1 3.48Å; F183-L284 HydrophobicContact CD2-CD1 4.23Å; F183-L284 HydrophobicContact CG-CD1 4.01Å
184	V	98.8	Very high	94.6	Very high	32 Å²	32	44 Å²	44	19%	0.194	27%	0.272	C	S	.	.			trans	-121	87.1	-170.9	-171.7	0	0	0	0	110.1	L218 A221	V184-L218 HydrophobicContact CB-CB 4.18Å; V184-L218 HydrophobicContact CB-CG 4.32Å; V184-L218 HydrophobicContact CG1-CB 4.28Å; V184-L218 HydrophobicContact CG1-CD1 3.77Å; V184-L218 HydrophobicContact CG1-CG 3.94Å; V184-L218 PolarHBondContact O-N 3.17Å; V184-A221 HydrophobicContact CG2-CB 4.19Å
185	P	98.5	Very high	94.5	Very high	26 Å²	26	42.8 Å²	42.8	17%	0.169	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	143.1	178.5	31.6	-34.3	0	0	0	111.1	F183 Y214 M216 F278	F183-P185 WeakPolarHBondContact O-CD 3.33Å; P185-Y214 HydrophobicContact CB-CD1 4.17Å; P185-Y214 HydrophobicContact CB-CD2 4.34Å; P185-Y214 HydrophobicContact CB-CG 3.82Å; P185-M216 WeakPolarHBondContact CA-O 3.29Å; P185-F278 HydrophobicContact CB-CB 4.22Å; P185-F278 HydrophobicContact CB-CD1 4.43Å; P185-F278 HydrophobicContact CB-CD2 4.21Å; P185-F278 HydrophobicContact CB-CG 4.04Å; P185-F278 HydrophobicContact CG-CD1 4.01Å; P185-F278 HydrophobicContact CG-CD2 3.72Å; P185-F278 HydrophobicContact CG-CE1 4.1Å; P185-F278 HydrophobicContact CG-CE2 3.84Å; P185-F278 HydrophobicContact CG-CG 3.83Å; P185-F278 HydrophobicContact CG-CZ 4.03Å
186	R	98.3	Very high	94.5	Very high	73 Å²	73	38.2 Å²	38.2	28%	0.275	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	167	176	-67.4	-67.9	-172.8	-78.6	-4.1	110.2	Y198 Y214 S215 M216 L218	R186-Y198 HydrophobicContact CB-CE2 4.05Å; R186-Y198 HydrophobicContact CG-CE2 4.4Å; R186-Y198 VanDerWaalsContact CG-OH 3.3Å; R186-Y198 WeakPolarHBondContact CG-OH 3.5Å; R186-Y214 WeakPolarHBondContact O-CB 3.38Å; R186-S215 PolarHBondContact O-N 3.31Å; R186-M216 HydrophobicContact CB-CB 4.47Å; R186-M216 PolarHBondContact N-O 2.8Å; R186-M216 PolarHBondContact O-N 3.4Å; R186-M216 VanDerWaalsContact O-O 3.12Å; R186-L218 HydrophobicContact CB-CD2 4.08Å; R186-L218 HydrophobicContact CG-CD1 3.97Å; R186-L218 HydrophobicContact CG-CD2 3.76Å; R186-L218 HydrophobicContact CG-CG 3.83Å
187	K	97	Very high	94.4	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.5	-178.4	74	-163.6	-173.2	-155.5	0	113.4	V189 G199 S200 L203 D212 M213 M216 Y326	K187-V189 HydrophobicContact CD-CG1 4.43Å; K187-V189 HydrophobicContact CG-CG1 4.29Å; K187-G199 PolarHBondContact N-O 2.77Å; K187-G199 PolarHBondContact O-N 3.22Å; K187-G199 VanDerWaalsContact O-O 3.11Å; K187-S200 WeakPolarHBondContact CE-O 3.34Å; K187-S200 PolarHBondContact NZ-O 3.19Å; K187-L203 WeakPolarHBondContact CE-O 3.49Å; K187-L203 PolarHBondContact NZ-O 3.27Å; K187-D212 IonicContact NZ-OD1 2.62Å; K187-D212 PolarHBondContact NZ-OD1 3.1Å; K187-D212 IonicContact NZ-OD2 2.79Å; K187-D212 PolarHBondContact NZ-OD2 3.07Å; K187-M213 WeakPolarHBondContact CD-O 3.26Å; K187-M216 VanDerWaalsContact C-CE 3.45Å; K187-Y326 HydrophobicContact CB-CE1 4.41Å
188	H	96.3	Very high	94.5	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	156.9	155.7	69.8	-75.5	0	0	0	108.9	Y196 S197 S215 L312 Y326	H188-Y196 AromaticContact CD2-CD1 3.71Å; H188-Y196 AromaticContact CD2-CE1 4Å; H188-S197 CarbonylContact C-O 3.51Å; H188-S197 VanDerWaalsContact CA-O 3.27Å; H188-S197 WeakPolarHBondContact CA-O 3.19Å; H188-S215 PolarHBondContact N-OG 3.18Å; H188-S215 WeakPolarHBondContact ND1-CB 3.36Å; H188-S215 PolarHBondContact ND1-OG 2.9Å; H188-L312 HydrophobicContact CB-CD1 3.71Å; H188-L312 HydrophobicContact CB-CD2 4.3Å; H188-Y326 PolarHBondContact CD2-OH 3.18Å; H188-Y326 AromaticContact CE1-CE1 3.96Å; H188-Y326 AromaticContact CE1-CE2 3.95Å; H188-Y326 AromaticContact CE1-CZ 3.6Å; H188-Y326 AromaticContact NE2-CE2 3.87Å; H188-Y326 AromaticContact NE2-CZ 3.6Å; H188-Y326 PolarHBondContact NE2-OH 3.34Å; H188-Y326 VanDerWaalsContact O-CE1 3.3Å; H188-Y326 WeakPolarHBondContact O-CE1 3.43Å; H188-Y326 PolarHBondContact O-OH 2.79Å
189	V	94.4	Very high	94.4	Very high	15 Å²	15	33.6 Å²	33.6	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.6	162.4	-63.8	0	0	0	0	107.9	K187 Y196 S197 L203	K187-V189 HydrophobicContact CD-CG1 4.43Å; K187-V189 HydrophobicContact CG-CG1 4.29Å; V189-Y196 CarbonylContact O-C 3.48Å; V189-Y196 WeakPolarHBondContact O-CA 3.29Å; V189-S197 PolarHBondContact N-O 3.22Å; V189-S197 PolarHBondContact O-N 3.43Å; V189-L203 HydrophobicContact CG1-CB 4.14Å; V189-L203 HydrophobicContact CG2-CB 4.36Å; V189-L203 HydrophobicContact CG2-CD1 3.8Å
190	S	92	Very high	94.3	Very high	62 Å²	62	34.2 Å²	34.2	43%	0.434	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.9	175.6	-170.2	0	0	0	0	110.1
191	T	83.9	Confident	94	Very high	66 Å²	66	42 Å²	42	41%	0.405	27%	0.268	S	S	.	.			trans	-79.8	166.1	162.3	62.1	0	0	0	0	110.1	G193 G194 V195	T191-G193 PolarHBondContact O-N 3.32Å; T191-G193 VanDerWaalsContact O-N 3.14Å; T191-G194 PolarHBondContact O-N 3.05Å; T191-V195 PolarHBondContact N-O 2.93Å; T191-V195 WeakPolarHBondContact OG1-CB 3.44Å; T191-V195 PolarHBondContact OG1-N 3.48Å; T191-V195 PolarHBondContact OG1-O 2.93Å
192	A	80.4	Confident	93.6	Very high	121 Å²	121	47.1 Å²	47.1	100%	1	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.5	175.2	0	0	0	0	0	113.4	G194	A192-G194 VanDerWaalsContact C-N 3.32Å
193	G	82.3	Confident	93.2	Very high	69 Å²	69	49.6 Å²	49.6	71%	0.711	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	7	176.8	0	0	0	0	0	114.9	T191 V195	T191-G193 PolarHBondContact O-N 3.32Å; T191-G193 VanDerWaalsContact O-N 3.14Å; G193-V195 VanDerWaalsContact C-N 3.27Å; G193-V195 PolarHBondContact O-N 3.4Å
194	G	87.4	Confident	92.4	Very high	42 Å²	42	57.6 Å²	57.6	43%	0.433	34%	0.342	S	S	.	.	S	Bend	trans	75	11.1	-179	0	0	0	0	0	114.8	T191 A192	T191-G194 PolarHBondContact O-N 3.05Å; A192-G194 VanDerWaalsContact C-N 3.32Å
195	V	94.7	Very high	91.2	Very high	76 Å²	76	56.8 Å²	56.8	46%	0.461	34%	0.337	S	S	.	.			trans	-86.1	131.8	173.1	-178.9	0	0	0	0	109.2	T191 G193	T191-V195 PolarHBondContact N-O 2.93Å; T191-V195 WeakPolarHBondContact OG1-CB 3.44Å; T191-V195 PolarHBondContact OG1-N 3.48Å; T191-V195 PolarHBondContact OG1-O 2.93Å; G193-V195 VanDerWaalsContact C-N 3.27Å; G193-V195 PolarHBondContact O-N 3.4Å
196	Y	96.1	Very high	89.5	Confident	44 Å²	44	61.4 Å²	61.4	17%	0.173	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.8	179.6	-59.1	-70.7	0	0	0	112.5	H188 V189 N313 T316 M322	H188-Y196 AromaticContact CD2-CD1 3.71Å; H188-Y196 AromaticContact CD2-CE1 4Å; V189-Y196 CarbonylContact O-C 3.48Å; V189-Y196 WeakPolarHBondContact O-CA 3.29Å; Y196-N313 PolarHBondContact N-OD1 3.44Å; Y196-N313 PolarHBondContact O-ND2 3.31Å; Y196-T316 HydrophobicContact CD2-CG2 4.4Å; Y196-T316 HydrophobicContact CE2-CG2 3.7Å; Y196-M322 HydrophobicContact CD1-CE 3.66Å; Y196-M322 HydrophobicContact CD2-CE 3.49Å; Y196-M322 VanDerWaalsContact CD2-CE 3.49Å; Y196-M322 HydrophobicContact CE1-CB 4.25Å; Y196-M322 HydrophobicContact CE1-CE 3.83Å; Y196-M322 HydrophobicContact CE1-CG 4.2Å; Y196-M322 HydrophobicContact CE2-CB 4.16Å; Y196-M322 HydrophobicContact CE2-CE 3.68Å; Y196-M322 HydrophobicContact CG-CE 3.47Å; Y196-M322 VanDerWaalsContact CG-CE 3.47Å; Y196-M322 WeakPolarHBondContact OH-CB 3.45Å
197	S	96.3	Very high	88	Confident	40 Å²	40	65.5 Å²	65.5	28%	0.28	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.6	171.8	-62.7	0	0	0	0	110.4	H188 V189	H188-S197 CarbonylContact C-O 3.51Å; H188-S197 VanDerWaalsContact CA-O 3.27Å; H188-S197 WeakPolarHBondContact CA-O 3.19Å; V189-S197 PolarHBondContact N-O 3.22Å; V189-S197 PolarHBondContact O-N 3.43Å
198	Y	97.6	Very high	86.7	Confident	15 Å²	15	66.9 Å²	66.9	6%	0.059	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	137.7	175	174.9	-88	0	0	0	110.5	R186 M216 I252 L305 R308 S309 L312	R186-Y198 HydrophobicContact CB-CE2 4.05Å; R186-Y198 HydrophobicContact CG-CE2 4.4Å; R186-Y198 VanDerWaalsContact CG-OH 3.3Å; R186-Y198 WeakPolarHBondContact CG-OH 3.5Å; Y198-M216 HydrophobicContact CD2-CE 3.82Å; Y198-M216 HydrophobicContact CE2-CE 3.95Å; Y198-I252 HydrophobicContact CD2-CD1 3.84Å; Y198-I252 HydrophobicContact CD2-CG1 4.49Å; Y198-I252 HydrophobicContact CE2-CD1 4.04Å; Y198-I252 HydrophobicContact CE2-CG1 4.32Å; Y198-L305 HydrophobicContact CD1-CD2 4.1Å; Y198-L305 HydrophobicContact CE1-CD2 3.93Å; Y198-R308 HydrophobicContact CD1-CB 3.66Å; Y198-R308 HydrophobicContact CD1-CG 4.42Å; Y198-R308 HydrophobicContact CD2-CB 4.01Å; Y198-R308 HydrophobicContact CE1-CB 4.16Å; Y198-R308 VanDerWaalsContact CE1-CD 3.47Å; Y198-R308 HydrophobicContact CE1-CG 4.45Å; Y198-R308 HydrophobicContact CE2-CB 4.47Å; Y198-R308 HydrophobicContact CG-CB 3.57Å; Y198-R308 VanDerWaalsContact CZ-CD 3.49Å; Y198-R308 PolarHBondContact OH-NH1 3.4Å; Y198-S309 PolarHBondContact N-OG 3.24Å; Y198-L312 HydrophobicContact CD2-CD1 4.35Å
199	G	95.9	Very high	85.2	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.01	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	-161.9	170.3	0	0	0	0	0	113.4	K187 E202	K187-G199 PolarHBondContact N-O 2.77Å; K187-G199 PolarHBondContact O-N 3.22Å; K187-G199 VanDerWaalsContact O-O 3.11Å; G199-E202 WeakPolarHBondContact CA-OE1 3.36Å
200	S	94.9	Very high	84.1	Confident	19 Å²	19	74 Å²	74	13%	0.133	47%	0.469	C	S	.	.	S	Bend	trans	-127.4	-143.7	176.1	-162.4	0	0	0	0	109.8	K187 E202 L203	K187-S200 WeakPolarHBondContact CE-O 3.34Å; K187-S200 PolarHBondContact NZ-O 3.19Å; S200-E202 VanDerWaalsContact C-OE2 3.24Å; S200-E202 WeakPolarHBondContact CA-OE2 2.92Å; S200-E202 WeakPolarHBondContact CB-OE2 3.38Å; S200-E202 PolarHBondContact N-OE1 2.95Å; S200-E202 PolarHBondContact N-OE2 3.34Å; S200-E202 PolarHBondContact O-N 2.96Å; S200-L203 PolarHBondContact O-N 3.45Å
201	F	91.8	Very high	83.8	Confident	165 Å²	165	74.3 Å²	74.3	72%	0.724	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.7	-177.2	72.3	-88.5	0	0	0	114.9	L203 D212	F201-L203 VanDerWaalsContact C-N 3.28Å; F201-L203 PolarHBondContact O-N 3.41Å; F201-D212 VanDerWaalsContact CA-OD2 3.24Å; F201-D212 WeakPolarHBondContact CA-OD2 3.41Å
202	E	92.5	Very high	84.1	Confident	106 Å²	106	74.1 Å²	74.1	50%	0.495	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.8	177.2	70.6	-73.9	170.8	0	0	113.6	G199 S200	G199-E202 WeakPolarHBondContact CA-OE1 3.36Å; S200-E202 VanDerWaalsContact C-OE2 3.24Å; S200-E202 WeakPolarHBondContact CA-OE2 2.92Å; S200-E202 WeakPolarHBondContact CB-OE2 3.38Å; S200-E202 PolarHBondContact N-OE1 2.95Å; S200-E202 PolarHBondContact N-OE2 3.34Å; S200-E202 PolarHBondContact O-N 2.96Å
203	L	90.3	Very high	84.8	Confident	52 Å²	52	70.2 Å²	70.2	27%	0.272	44%	0.44	S	S	.	.	S	Bend	trans	-89.6	129.3	175.9	-60	-173.9	0	0	0	109.5	K187 V189 S200 F201	K187-L203 WeakPolarHBondContact CE-O 3.49Å; K187-L203 PolarHBondContact NZ-O 3.27Å; V189-L203 HydrophobicContact CG1-CB 4.14Å; V189-L203 HydrophobicContact CG2-CB 4.36Å; V189-L203 HydrophobicContact CG2-CD1 3.8Å; S200-L203 PolarHBondContact O-N 3.45Å; F201-L203 VanDerWaalsContact C-N 3.28Å; F201-L203 PolarHBondContact O-N 3.41Å
204	Q	81.8	Confident	85.5	Confident	175 Å²	175	67.6 Å²	67.6	82%	0.818	41%	0.409	S	S	*	.			trans	-78.9	137.2	173.6	-65.6	-167.6	2.7	0	0	110.4
205	N	72.7	Confident	86	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.08	39%	0.389	C	S	.	.			trans	-98.6	111.6	163.7	-175	-16.1	0	0	0	107.9	E207 A208 M213	N205-E207 PolarHBondContact O-N 2.94Å; N205-E207 VanDerWaalsContact O-N 3.09Å; N205-E207 WeakPolarHBondContact OD1-CB 3.15Å; N205-E207 PolarHBondContact OD1-N 2.96Å; N205-A208 HydrophobicContact CB-CB 4.13Å; N205-A208 WeakPolarHBondContact O-CB 3.36Å; N205-A208 PolarHBondContact O-N 2.89Å; N205-M213 HydrophobicContact CB-CE 4.47Å; N205-M213 WeakPolarHBondContact ND2-CE 3.37Å
206	P	63.1	Low	86.2	Confident	124 Å²	124	62 Å²	62	81%	0.805	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.8	-179.3	-22.1	32.6	0	0	0	113.8
207	E	67.3	Low	86.3	Confident	159 Å²	159	60 Å²	60	74%	0.743	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.9	-179.6	-58.4	179.7	175.1	0	0	112.8	N205 A209	N205-E207 PolarHBondContact O-N 2.94Å; N205-E207 VanDerWaalsContact O-N 3.09Å; N205-E207 WeakPolarHBondContact OD1-CB 3.15Å; N205-E207 PolarHBondContact OD1-N 2.96Å; E207-A209 PolarHBondContact O-N 2.98Å
208	A	68.7	Low	86.4	Confident	29 Å²	29	59 Å²	59	24%	0.24	35%	0.35	C	S	.	.			trans	-77.1	91.8	177.5	0	0	0	0	0	110.8	N205 G210 M213	N205-A208 HydrophobicContact CB-CB 4.13Å; N205-A208 WeakPolarHBondContact O-CB 3.36Å; N205-A208 PolarHBondContact O-N 2.89Å; A208-G210 PolarHBondContact O-N 3.4Å; A208-G210 VanDerWaalsContact O-N 3.12Å; A208-M213 HydrophobicContact CB-CE 3.85Å
209	A	65.6	Low	86.5	Confident	104 Å²	104	58.3 Å²	58.3	86%	0.86	35%	0.347	S	S	*	.	S	Bend	trans	-76.2	94.3	167.7	0	0	0	0	0	110	E207	E207-A209 PolarHBondContact O-N 2.98Å
210	G	71.6	Confident	86.6	Confident	69 Å²	69	58.5 Å²	58.5	71%	0.711	35%	0.349	S	S	*	.	S	Bend	trans	86.2	106.6	174.7	0	0	0	0	0	113.9	A208	A208-G210 PolarHBondContact O-N 3.4Å; A208-G210 VanDerWaalsContact O-N 3.12Å
211	G	84.5	Confident	86.8	Confident	69 Å²	69	57.7 Å²	57.7	71%	0.711	34%	0.344	S	S	*	.	S	Bend	trans	85	-165.5	-178.7	0	0	0	0	0	113.2
212	D	91.8	Very high	87.1	Confident	63 Å²	63	49.8 Å²	49.8	34%	0.337	31%	0.309	S	S	.	.			trans	-120.7	163.6	178.7	-163.8	19.4	0	0	0	111.5	K187 F201	K187-D212 IonicContact NZ-OD1 2.62Å; K187-D212 PolarHBondContact NZ-OD1 3.1Å; K187-D212 IonicContact NZ-OD2 2.79Å; K187-D212 PolarHBondContact NZ-OD2 3.07Å; F201-D212 VanDerWaalsContact CA-OD2 3.24Å; F201-D212 WeakPolarHBondContact CA-OD2 3.41Å
213	M	93.8	Very high	87.4	Confident	38 Å²	38	44.8 Å²	44.8	19%	0.187	29%	0.286	C	S	.	.			trans	-125	152.8	179.6	-62.4	-170.7	-77.5	0	0	111.4	K187 N205 A208 Y326 S327 N328	K187-M213 WeakPolarHBondContact CD-O 3.26Å; N205-M213 HydrophobicContact CB-CE 4.47Å; N205-M213 WeakPolarHBondContact ND2-CE 3.37Å; A208-M213 HydrophobicContact CB-CE 3.85Å; M213-Y326 HydrophobicContact CB-CD1 3.95Å; M213-Y326 HydrophobicContact CB-CG 4.34Å; M213-Y326 HydrophobicContact CE-CG 4.25Å; M213-Y326 HydrophobicContact SD-CG 4.17Å; M213-S327 CarbonylContact C-O 3.57Å; M213-S327 WeakPolarHBondContact CA-O 3.46Å; M213-N328 HydrophobicContact CG-CB 4.3Å
214	Y	96.8	Very high	87.8	Confident	15 Å²	15	42.3 Å²	42.3	6%	0.059	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-119.3	154.8	166.9	64.7	-87.5	0	0	0	109.9	P185 R186 V217 F278 Y326 S327 L329	P185-Y214 HydrophobicContact CB-CD1 4.17Å; P185-Y214 HydrophobicContact CB-CD2 4.34Å; P185-Y214 HydrophobicContact CB-CG 3.82Å; R186-Y214 WeakPolarHBondContact O-CB 3.38Å; Y214-V217 HydrophobicContact CD2-CG2 4.28Å; Y214-V217 HydrophobicContact CE2-CG2 4.13Å; Y214-F278 HydrophobicContact CD1-CB 4.2Å; Y214-F278 HydrophobicContact CE1-CB 3.6Å; Y214-F278 HydrophobicContact CE1-CD1 4.49Å; Y214-F278 HydrophobicContact CE2-CB 4.14Å; Y214-F278 PolarHBondContact OH-N 3.13Å; Y214-Y326 CarbonylContact O-C 3.59Å; Y214-Y326 WeakPolarHBondContact O-CA 3.4Å; Y214-S327 WeakPolarHBondContact CD1-O 3.36Å; Y214-S327 WeakPolarHBondContact CE1-O 3.24Å; Y214-S327 PolarHBondContact N-O 2.64Å; Y214-S327 PolarHBondContact O-N 2.62Å; Y214-S327 PolarHBondContact OH-OG 3.04Å; Y214-S327 VanDerWaalsContact OH-OG 3.12Å; Y214-L329 WeakPolarHBondContact CE1-O 3.1Å; Y214-L329 PolarHBondContact OH-O 3.04Å
215	S	97.6	Very high	88.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	24%	0.238	C	C	.	.	S	Bend	trans	-125.9	-1.9	175.9	74.3	0	0	0	0	112.6	R186 H188 S275	R186-S215 PolarHBondContact O-N 3.31Å; H188-S215 PolarHBondContact N-OG 3.18Å; H188-S215 WeakPolarHBondContact ND1-CB 3.36Å; H188-S215 PolarHBondContact ND1-OG 2.9Å; S215-S275 PolarHBondContact O-OG 2.84Å
216	M	98.8	Very high	89.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.4	-178.3	-67.4	172.8	-78	0	0	109.7	P185 R186 K187 Y198 I252 N255 L312 L324	P185-M216 WeakPolarHBondContact CA-O 3.29Å; R186-M216 HydrophobicContact CB-CB 4.47Å; R186-M216 PolarHBondContact N-O 2.8Å; R186-M216 PolarHBondContact O-N 3.4Å; R186-M216 VanDerWaalsContact O-O 3.12Å; K187-M216 VanDerWaalsContact C-CE 3.45Å; Y198-M216 HydrophobicContact CD2-CE 3.82Å; Y198-M216 HydrophobicContact CE2-CE 3.95Å; M216-I252 HydrophobicContact SD-CB 4.42Å; M216-I252 HydrophobicContact SD-CG1 4.09Å; M216-I252 HydrophobicContact SD-CG2 4.07Å; M216-N255 WeakPolarHBondContact CA-OD1 3.43Å; M216-N255 HydrophobicContact CB-CB 4.37Å; M216-N255 HydrophobicContact CG-CB 3.89Å; M216-L312 HydrophobicContact CE-CD2 4.15Å; M216-L312 HydrophobicContact SD-CD2 4.19Å; M216-L324 HydrophobicContact CE-CD1 4.15Å; M216-L324 HydrophobicContact CG-CD1 3.55Å; M216-L324 HydrophobicContact CG-CD2 4.15Å; M216-L324 HydrophobicContact CG-CG 4.48Å; M216-L324 HydrophobicContact SD-CD1 3.63Å
217	V	98.9	Very high	91.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.7	166.2	177.5	0	0	0	0	107.2	I180 Y214 I219 A222 N255	I180-V217 HydrophobicContact CG2-CB 4.01Å; I180-V217 HydrophobicContact CG2-CG1 4.03Å; Y214-V217 HydrophobicContact CD2-CG2 4.28Å; Y214-V217 HydrophobicContact CE2-CG2 4.13Å; V217-I219 PolarHBondContact O-N 2.88Å; V217-A222 HydrophobicContact CG1-CB 4.31Å; V217-N255 PolarHBondContact N-OD1 3.05Å; V217-N255 VanDerWaalsContact N-OD1 3.13Å; V217-N255 PolarHBondContact O-ND2 3.02Å
218	L	98.8	Very high	93	Very high	20 Å²	20	29.7 Å²	29.7	11%	0.105	20%	0.195	C	C	.	.			trans	-71.1	131.5	-176	-52.6	-166.7	0	0	0	110.4	V184 R186 G220 A221 D251	V184-L218 HydrophobicContact CB-CB 4.18Å; V184-L218 HydrophobicContact CB-CG 4.32Å; V184-L218 HydrophobicContact CG1-CB 4.28Å; V184-L218 HydrophobicContact CG1-CD1 3.77Å; V184-L218 HydrophobicContact CG1-CG 3.94Å; V184-L218 PolarHBondContact O-N 3.17Å; R186-L218 HydrophobicContact CB-CD2 4.08Å; R186-L218 HydrophobicContact CG-CD1 3.97Å; R186-L218 HydrophobicContact CG-CD2 3.76Å; R186-L218 HydrophobicContact CG-CG 3.83Å; L218-G220 PolarHBondContact O-N 3.13Å; L218-A221 PolarHBondContact O-N 3.44Å; L218-D251 WeakPolarHBondContact CD2-OD2 3.29Å
219	I	98.8	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.6	-175.9	65.4	-179.7	0	0	0	113.5	L141 M154 I180 V217 A221 F224 D251 V254	L141-I219 HydrophobicContact CD2-CD1 3.81Å; M154-I219 CarbonylContact C-O 3.58Å; M154-I219 WeakPolarHBondContact CB-O 3.45Å; M154-I219 VanDerWaalsContact CG-O 3.29Å; M154-I219 WeakPolarHBondContact CG-O 3.46Å; M154-I219 VanDerWaalsContact O-O 3.1Å; M154-I219 HydrophobicContact SD-CB 4.07Å; M154-I219 HydrophobicContact SD-CD1 3.65Å; M154-I219 HydrophobicContact SD-CG1 3.72Å; I180-I219 HydrophobicContact CD1-CG2 4.32Å; I180-I219 HydrophobicContact CG2-CG2 4.31Å; V217-I219 PolarHBondContact O-N 2.88Å; I219-A221 PolarHBondContact O-N 2.79Å; I219-A221 VanDerWaalsContact O-N 3.1Å; I219-F224 HydrophobicContact CB-CE1 4.23Å; I219-F224 HydrophobicContact CG2-CD1 4.36Å; I219-F224 HydrophobicContact CG2-CE1 4.42Å; I219-D251 HydrophobicContact CD1-CB 4.23Å; I219-D251 HydrophobicContact CG1-CB 3.73Å; I219-V254 HydrophobicContact CD1-CB 4.23Å; I219-V254 HydrophobicContact CD1-CG2 3.95Å; I219-V254 HydrophobicContact CG2-CB 4.34Å; I219-V254 HydrophobicContact CG2-CG1 3.91Å
220	G	98.6	Very high	96	Very high	5 Å²	5	27.7 Å²	27.7	5%	0.052	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-5.8	174.3	0	0	0	0	0	114.5	M154 L155 D156 L218	M154-G220 CarbonylContact O-C 3.52Å; L155-G220 CarbonylContact C-O 3.42Å; L155-G220 VanDerWaalsContact CA-O 3.26Å; L155-G220 WeakPolarHBondContact CA-O 3.33Å; D156-G220 PolarHBondContact N-O 2.97Å; D156-G220 WeakPolarHBondContact OD1-CA 3.48Å; L218-G220 PolarHBondContact O-N 3.13Å
221	A	98.7	Very high	97.3	Very high	2 Å²	2	26 Å²	26	2%	0.017	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	67.2	168.1	0	0	0	0	0	110	M154 L155 T159 G182 F183 V184 L218 I219 L284	M154-A221 WeakPolarHBondContact O-CA 3.46Å; M154-A221 PolarHBondContact O-N 3.2Å; L155-A221 HydrophobicContact CD2-CB 4.47Å; T159-A221 HydrophobicContact CG2-CB 4.18Å; G182-A221 WeakPolarHBondContact CA-O 3.3Å; F183-A221 HydrophobicContact CD2-CB 3.96Å; F183-A221 WeakPolarHBondContact CD2-O 3.32Å; F183-A221 PolarHBondContact N-O 3.09Å; F183-A221 VanDerWaalsContact N-O 3.09Å; V184-A221 HydrophobicContact CG2-CB 4.19Å; L218-A221 PolarHBondContact O-N 3.44Å; I219-A221 PolarHBondContact O-N 2.79Å; I219-A221 VanDerWaalsContact O-N 3.1Å; A221-L284 HydrophobicContact CB-CD1 4.44Å
222	A	98.9	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.8	-176.2	0	0	0	0	0	114.6	M154 I180 V181 V217	M154-A222 PolarHBondContact N-O 3.48Å; M154-A222 PolarHBondContact O-N 3.49Å; M154-A222 VanDerWaalsContact O-N 3.13Å; I180-A222 HydrophobicContact CG2-CB 3.65Å; V181-A222 CarbonylContact O-C 3.48Å; V181-A222 WeakPolarHBondContact O-CA 3.44Å; V217-A222 HydrophobicContact CG1-CB 4.31Å
223	F	98.9	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.4	161.2	-78	-82.7	0	0	0	111.4	F72 A151 V152 L153 I166 A169 F170 W173 I180 V181	F72-F223 HydrophobicContact CB-CE1 3.85Å; F72-F223 AromaticContact CD1-CE1 3.94Å; F72-F223 HydrophobicContact CD1-CE1 3.94Å; F72-F223 HydrophobicContact CD1-CZ 4.21Å; F72-F223 AromaticContact CD2-CE1 3.72Å; F72-F223 HydrophobicContact CD2-CE1 3.72Å; F72-F223 HydrophobicContact CD2-CZ 4.13Å; F72-F223 HydrophobicContact CE1-CE1 4.4Å; F72-F223 HydrophobicContact CE1-CZ 4.22Å; F72-F223 HydrophobicContact CE2-CE1 4.19Å; F72-F223 HydrophobicContact CE2-CZ 4.12Å; F72-F223 AromaticContact CG-CE1 3.58Å; F72-F223 HydrophobicContact CG-CE1 3.58Å; F72-F223 HydrophobicContact CG-CZ 4.17Å; F72-F223 HydrophobicContact CZ-CZ 4.18Å; A151-F223 HydrophobicContact CB-CD1 4.34Å; V152-F223 CarbonylContact O-C 3.25Å; V152-F223 VanDerWaalsContact O-CA 3.25Å; V152-F223 WeakPolarHBondContact O-CA 3.46Å; L153-F223 HydrophobicContact CB-CD1 3.91Å; L153-F223 HydrophobicContact CB-CE1 3.6Å; L153-F223 HydrophobicContact CB-CE2 4.45Å; L153-F223 HydrophobicContact CB-CG 4.48Å; L153-F223 HydrophobicContact CB-CZ 3.89Å; L153-F223 HydrophobicContact CD1-CD2 3.94Å; L153-F223 HydrophobicContact CD1-CE1 4.48Å; L153-F223 HydrophobicContact CD1-CE2 3.87Å; L153-F223 HydrophobicContact CD1-CG 4.27Å; L153-F223 HydrophobicContact CD1-CZ 4.16Å; L153-F223 HydrophobicContact CD2-CE1 4.38Å; L153-F223 HydrophobicContact CD2-CE2 4.11Å; L153-F223 HydrophobicContact CD2-CZ 3.8Å; L153-F223 HydrophobicContact CG-CE1 4.36Å; L153-F223 HydrophobicContact CG-CE2 4.37Å; L153-F223 HydrophobicContact CG-CZ 4.16Å; I166-F223 HydrophobicContact CG2-CE2 3.97Å; I166-F223 HydrophobicContact CG2-CZ 3.77Å; A169-F223 HydrophobicContact CB-CD2 3.95Å; A169-F223 HydrophobicContact CB-CE2 4.08Å; F170-F223 HydrophobicContact CB-CE1 4.1Å; F170-F223 HydrophobicContact CB-CE2 3.92Å; F170-F223 HydrophobicContact CB-CZ 3.65Å; F170-F223 HydrophobicContact CD2-CD1 4.05Å; F170-F223 AromaticContact CD2-CE1 3.65Å; F170-F223 HydrophobicContact CD2-CE1 3.65Å; F170-F223 HydrophobicContact CD2-CZ 4.11Å; F170-F223 HydrophobicContact CG-CE1 4.18Å; F170-F223 HydrophobicContact CG-CZ 4.18Å; W173-F223 HydrophobicContact CB-CB 3.86Å; W173-F223 HydrophobicContact CB-CG 4.36Å; W173-F223 HydrophobicContact CG-CB 3.81Å; I180-F223 CarbonylContact C-O 3.55Å; I180-F223 WeakPolarHBondContact CA-O 3.49Å; V181-F223 HydrophobicContact CB-CB 4.43Å; V181-F223 PolarHBondContact N-O 3.05Å; V181-F223 PolarHBondContact O-N 2.62Å
224	F	98.9	Very high	98.5	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	165.8	169.1	60.9	-98.9	0	0	0	110.7	V152 M154 I180 I219 Y228 L229	V152-F224 HydrophobicContact CB-CD2 4.41Å; V152-F224 HydrophobicContact CB-CE2 4.04Å; V152-F224 HydrophobicContact CB-CZ 4.25Å; V152-F224 HydrophobicContact CG1-CE1 4.4Å; V152-F224 HydrophobicContact CG1-CE2 4.11Å; V152-F224 HydrophobicContact CG1-CZ 3.85Å; V152-F224 PolarHBondContact N-O 3.12Å; V152-F224 PolarHBondContact O-N 2.82Å; M154-F224 HydrophobicContact CB-CE1 3.61Å; M154-F224 HydrophobicContact CB-CZ 4.21Å; M154-F224 HydrophobicContact CE-CE1 4.09Å; M154-F224 HydrophobicContact CE-CZ 3.7Å; M154-F224 HydrophobicContact SD-CE1 4.16Å; M154-F224 HydrophobicContact SD-CZ 4.37Å; I180-F224 HydrophobicContact CG1-CB 4.23Å; I219-F224 HydrophobicContact CB-CE1 4.23Å; I219-F224 HydrophobicContact CG2-CD1 4.36Å; I219-F224 HydrophobicContact CG2-CE1 4.42Å; F224-Y228 HydrophobicContact CB-CD2 4.1Å; F224-Y228 HydrophobicContact CD2-CD2 4.29Å; F224-L229 HydrophobicContact CE2-CD2 3.97Å; F224-L229 HydrophobicContact CE2-CG 4.21Å; F224-L229 HydrophobicContact CZ-CD2 4.13Å
225	H	98.6	Very high	98.6	Very high	17 Å²	17	25.9 Å²	25.9	8%	0.079	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.6	179.7	-167	-45.9	0	0	0	111.5	N150 W173 P177 R227 Y228	N150-H225 CarbonylContact O-C 3.36Å; N150-H225 VanDerWaalsContact O-CA 3.31Å; N150-H225 WeakPolarHBondContact O-CA 3.29Å; N150-H225 PolarHBondContact O-ND1 2.87Å; W173-H225 HydrophobicContact CZ2-CB 4.13Å; P177-H225 WeakPolarHBondContact O-CB 3.39Å; H225-R227 HydrophobicContact CB-CG 4.04Å; H225-R227 VanDerWaalsContact CD2-CZ 3.44Å; H225-R227 PolarHBondContact CD2-NE 2.83Å; H225-R227 VanDerWaalsContact CD2-NE 3.35Å; H225-R227 PolarHBondContact CD2-NH2 3.21Å; H225-R227 PolarHBondContact CE1-NE 3.22Å; H225-R227 PolarHBondContact ND1-N 2.83Å; H225-R227 VanDerWaalsContact ND1-N 3.14Å; H225-R227 PolarHBondContact NE2-NE 3.09Å; H225-R227 PolarHBondContact NE2-NH2 2.96Å; H225-R227 PolarHBondContact O-N 3.16Å; H225-Y228 HydrophobicContact CB-CD2 4.25Å; H225-Y228 HydrophobicContact CB-CE2 4.08Å; H225-Y228 WeakPolarHBondContact O-CB 3.12Å; H225-Y228 WeakPolarHBondContact O-CD2 3.22Å; H225-Y228 PolarHBondContact O-N 3.34Å
226	R	98.3	Very high	98.6	Very high	96 Å²	96	28.2 Å²	28.2	36%	0.362	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-25.8	177.4	66.1	163.7	166.4	-179.2	0.2	115.5	I147 A148 T149 N150 V152 Y228 L229	I147-R226 HydrophobicContact CG2-CB 4.05Å; I147-R226 PolarHBondContact O-NH1 2.8Å; A148-R226 PolarHBondContact O-NH1 2.89Å; T149-R226 WeakPolarHBondContact O-CD 3.39Å; T149-R226 WeakPolarHBondContact O-CG 3.42Å; T149-R226 PolarHBondContact O-NE 2.92Å; N150-R226 PolarHBondContact O-N 3.04Å; N150-R226 PolarHBondContact OD1-NH2 2.89Å; V152-R226 HydrophobicContact CG2-CB 3.86Å; R226-Y228 PolarHBondContact O-N 2.92Å; R226-Y228 VanDerWaalsContact O-N 3.14Å; R226-L229 WeakPolarHBondContact O-CB 3.42Å; R226-L229 PolarHBondContact O-N 3.12Å
227	R	98.2	Very high	98.6	Very high	91 Å²	91	36.5 Å²	36.5	34%	0.343	17%	0.171	S	C	.	.	H	α-helix	trans	-59.6	-25.6	178	72.3	179.8	70.5	155.7	4.7	111.3	D178 H225 L229 Q230 L231 Y261	D178-R227 IonicContact OD1-CZ 3.91Å; D178-R227 IonicContact OD1-NH1 2.88Å; D178-R227 PolarHBondContact OD1-NH1 3.27Å; D178-R227 IonicContact OD1-NH2 2.58Å; H225-R227 HydrophobicContact CB-CG 4.04Å; H225-R227 VanDerWaalsContact CD2-CZ 3.44Å; H225-R227 PolarHBondContact CD2-NE 2.83Å; H225-R227 VanDerWaalsContact CD2-NE 3.35Å; H225-R227 PolarHBondContact CD2-NH2 3.21Å; H225-R227 PolarHBondContact CE1-NE 3.22Å; H225-R227 PolarHBondContact ND1-N 2.83Å; H225-R227 VanDerWaalsContact ND1-N 3.14Å; H225-R227 PolarHBondContact NE2-NE 3.09Å; H225-R227 PolarHBondContact NE2-NH2 2.96Å; H225-R227 PolarHBondContact O-N 3.16Å; R227-L229 VanDerWaalsContact C-N 3.27Å; R227-L229 PolarHBondContact O-N 2.65Å; R227-Q230 PolarHBondContact O-N 2.82Å; R227-L231 WeakPolarHBondContact O-CB 3.34Å; R227-L231 PolarHBondContact O-N 3.28Å; R227-Y261 PolarHBondContact NH1-OH 2.85Å
228	Y	98.8	Very high	98.6	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-72.9	-17.8	178.6	-58.8	-38.9	0	0	0	114	D178 F224 H225 R226 L231 F232 V258 Y261	D178-Y228 VanDerWaalsContact CA-OH 3.31Å; D178-Y228 WeakPolarHBondContact CA-OH 3.36Å; D178-Y228 PolarHBondContact O-OH 2.75Å; F224-Y228 HydrophobicContact CB-CD2 4.1Å; F224-Y228 HydrophobicContact CD2-CD2 4.29Å; H225-Y228 HydrophobicContact CB-CD2 4.25Å; H225-Y228 HydrophobicContact CB-CE2 4.08Å; H225-Y228 WeakPolarHBondContact O-CB 3.12Å; H225-Y228 WeakPolarHBondContact O-CD2 3.22Å; H225-Y228 PolarHBondContact O-N 3.34Å; R226-Y228 PolarHBondContact O-N 2.92Å; R226-Y228 VanDerWaalsContact O-N 3.14Å; Y228-L231 HydrophobicContact CD1-CB 4.27Å; Y228-L231 HydrophobicContact CD1-CD2 3.58Å; Y228-L231 HydrophobicContact CE1-CD2 4.02Å; Y228-F232 WeakPolarHBondContact O-CB 3.39Å; Y228-F232 PolarHBondContact O-N 3.03Å; Y228-V258 HydrophobicContact CD1-CG2 3.87Å; Y228-V258 HydrophobicContact CD2-CG2 3.67Å; Y228-V258 HydrophobicContact CE1-CG2 3.99Å; Y228-V258 HydrophobicContact CE2-CG1 4.24Å; Y228-V258 HydrophobicContact CE2-CG2 3.79Å; Y228-V258 HydrophobicContact CG-CG2 3.72Å; Y228-Y261 AromaticContact CE1-CD1 3.8Å; Y228-Y261 HydrophobicContact CE1-CD1 3.8Å; Y228-Y261 HydrophobicContact CE1-CE1 4.2Å; Y228-Y261 HydrophobicContact CE1-CG 4.01Å
229	L	98.8	Very high	98.6	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-48.5	167.4	-58.3	173.1	0	0	0	110.1	I75 L141 P143 I147 V152 F224 R226 R227 F232 Q233	I75-L229 HydrophobicContact CD1-CD1 4.12Å; I75-L229 HydrophobicContact CD1-CD2 4.44Å; L141-L229 HydrophobicContact CD2-CD2 4.34Å; P143-L229 HydrophobicContact CB-CB 4.28Å; I147-L229 HydrophobicContact CD1-CD1 3.49Å; I147-L229 VanDerWaalsContact CD1-CD1 3.49Å; V152-L229 HydrophobicContact CG2-CD1 4.37Å; F224-L229 HydrophobicContact CE2-CD2 3.97Å; F224-L229 HydrophobicContact CE2-CG 4.21Å; F224-L229 HydrophobicContact CZ-CD2 4.13Å; R226-L229 WeakPolarHBondContact O-CB 3.42Å; R226-L229 PolarHBondContact O-N 3.12Å; R227-L229 VanDerWaalsContact C-N 3.27Å; R227-L229 PolarHBondContact O-N 2.65Å; L229-F232 PolarHBondContact O-N 2.94Å; L229-Q233 WeakPolarHBondContact O-CG 3.45Å; L229-Q233 PolarHBondContact O-N 3.43Å
230	Q	98.5	Very high	98.6	Very high	87 Å²	87	41.6 Å²	41.6	41%	0.407	19%	0.194	S	C	.	.	H	α-helix	trans	-67	-44.2	175.2	-174.7	59.5	49.1	0	0	111.6	R227 F232 Q233 D234	R227-Q230 PolarHBondContact O-N 2.82Å; Q230-F232 PolarHBondContact O-N 2.94Å; Q230-Q233 WeakPolarHBondContact O-CA 3.2Å; Q230-Q233 WeakPolarHBondContact O-CB 3.42Å; Q230-Q233 PolarHBondContact O-N 2.99Å; Q230-D234 PolarHBondContact NE2-OD1 3.43Å; Q230-D234 VanDerWaalsContact O-CG 3.28Å; Q230-D234 PolarHBondContact O-N 2.95Å
231	L	98.4	Very high	98.6	Very high	33 Å²	33	43.1 Å²	43.1	17%	0.173	21%	0.206	C	C	.	.	H	α-helix	trans	-55.8	-37.8	176.8	-175.6	66.2	0	0	0	111.6	R227 Y228 D234 Q235 A257 Y261	R227-L231 WeakPolarHBondContact O-CB 3.34Å; R227-L231 PolarHBondContact O-N 3.28Å; Y228-L231 HydrophobicContact CD1-CB 4.27Å; Y228-L231 HydrophobicContact CD1-CD2 3.58Å; Y228-L231 HydrophobicContact CE1-CD2 4.02Å; L231-D234 PolarHBondContact O-N 3.25Å; L231-Q235 WeakPolarHBondContact O-CG 3.4Å; L231-Q235 PolarHBondContact O-N 3.2Å; L231-Q235 PolarHBondContact O-NE2 3.48Å; L231-A257 HydrophobicContact CD2-CB 4.04Å; L231-A257 HydrophobicContact CG-CB 4.29Å; L231-Y261 HydrophobicContact CD2-CD2 4.34Å; L231-Y261 HydrophobicContact CD2-CG 4.27Å
232	F	98.7	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-42.2	174.7	179.3	-97.8	0	0	0	111.8	R138 L141 Y228 L229 Q230 D234 Q235 H240 V243 A253 V254	R138-F232 HydrophobicContact CB-CE1 3.97Å; R138-F232 HydrophobicContact CB-CZ 4.13Å; L141-F232 HydrophobicContact CB-CD1 3.49Å; L141-F232 VanDerWaalsContact CB-CD1 3.49Å; L141-F232 HydrophobicContact CB-CE1 3.85Å; L141-F232 HydrophobicContact CB-CG 4.03Å; L141-F232 HydrophobicContact CD1-CD1 3.74Å; L141-F232 HydrophobicContact CD1-CD2 3.74Å; L141-F232 HydrophobicContact CD1-CE1 3.64Å; L141-F232 HydrophobicContact CD1-CE2 3.64Å; L141-F232 HydrophobicContact CD1-CG 3.78Å; L141-F232 HydrophobicContact CD1-CZ 3.59Å; L141-F232 HydrophobicContact CG-CD1 4.23Å; L141-F232 HydrophobicContact CG-CE1 4.39Å; L141-F232 HydrophobicContact CG-CG 4.45Å; Y228-F232 WeakPolarHBondContact O-CB 3.39Å; Y228-F232 PolarHBondContact O-N 3.03Å; L229-F232 PolarHBondContact O-N 2.94Å; Q230-F232 PolarHBondContact O-N 2.94Å; F232-D234 PolarHBondContact O-N 3.31Å; F232-Q235 WeakPolarHBondContact O-CB 3.45Å; F232-Q235 PolarHBondContact O-N 3.46Å; F232-H240 PolarHBondContact O-NE2 2.82Å; F232-V243 HydrophobicContact CZ-CG2 4.45Å; F232-A253 HydrophobicContact CE2-CB 4.11Å; F232-V254 HydrophobicContact CD2-CG2 4Å
233	Q	98.5	Very high	98.6	Very high	51 Å²	51	43.3 Å²	43.3	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-31.2	174.2	-55.8	-50.7	-41.6	0	0	112.5	L141 P143 L229 Q230 Q235 H240	L141-Q233 PolarHBondContact O-NE2 3.23Å; P143-Q233 HydrophobicContact CG-CG 4.21Å; L229-Q233 WeakPolarHBondContact O-CG 3.45Å; L229-Q233 PolarHBondContact O-N 3.43Å; Q230-Q233 WeakPolarHBondContact O-CA 3.2Å; Q230-Q233 WeakPolarHBondContact O-CB 3.42Å; Q230-Q233 PolarHBondContact O-N 2.99Å; Q233-Q235 VanDerWaalsContact C-N 3.27Å; Q233-Q235 PolarHBondContact O-N 2.89Å; Q233-H240 PolarHBondContact O-CE1 3.43Å; Q233-H240 VanDerWaalsContact O-CE1 3.23Å
234	D	98.4	Very high	98.5	Very high	108 Å²	108	45.3 Å²	45.3	58%	0.578	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.5	180	-57.6	-22.1	0	0	0	113.3	Q230 L231 F232	Q230-D234 PolarHBondContact NE2-OD1 3.43Å; Q230-D234 VanDerWaalsContact O-CG 3.28Å; Q230-D234 PolarHBondContact O-N 2.95Å; L231-D234 PolarHBondContact O-N 3.25Å; F232-D234 PolarHBondContact O-N 3.31Å
235	Q	98.6	Very high	98.5	Very high	24 Å²	24	52 Å²	52	11%	0.112	25%	0.249	C	C	.	.	S	Bend	trans	-68.9	157.9	175.9	-64.4	-47.5	-69.3	0	0	112.1	L231 F232 Q233 V239 A257 Y319	L231-Q235 WeakPolarHBondContact O-CG 3.4Å; L231-Q235 PolarHBondContact O-N 3.2Å; L231-Q235 PolarHBondContact O-NE2 3.48Å; F232-Q235 WeakPolarHBondContact O-CB 3.45Å; F232-Q235 PolarHBondContact O-N 3.46Å; Q233-Q235 VanDerWaalsContact C-N 3.27Å; Q233-Q235 PolarHBondContact O-N 2.89Å; Q235-V239 HydrophobicContact CB-CB 4.16Å; Q235-V239 HydrophobicContact CB-CG1 4.24Å; Q235-V239 HydrophobicContact CB-CG2 4.3Å; Q235-A257 HydrophobicContact CG-CB 4.16Å; Q235-Y319 PolarHBondContact OE1-OH 2.79Å
236	P	98.4	Very high	98.4	Very high	50 Å²	50	51.8 Å²	51.8	33%	0.325	25%	0.248	S	C	.	.			trans	-52.4	146.1	175.3	-25.5	33.5	0	0	0	112.7	E238 V239 I318 Y319	P236-E238 VanDerWaalsContact CB-OE2 3.23Å; P236-E238 WeakPolarHBondContact CB-OE2 3.27Å; P236-E238 PolarHBondContact O-N 3.3Å; P236-E238 VanDerWaalsContact O-N 3.1Å; P236-V239 HydrophobicContact CB-CG2 4.24Å; P236-V239 HydrophobicContact CG-CG2 4.37Å; P236-V239 VanDerWaalsContact O-CB 3.28Å; P236-V239 WeakPolarHBondContact O-CB 3.35Å; P236-V239 PolarHBondContact O-N 3.11Å; P236-I318 HydrophobicContact CB-CG2 4.29Å; P236-I318 HydrophobicContact CG-CG2 4.33Å; P236-Y319 HydrophobicContact CG-CE1 4.29Å
237	K	98.4	Very high	98.4	Very high	175 Å²	175	49.5 Å²	49.5	76%	0.761	24%	0.242	S	C	*	.	H	α-helix	trans	-59.6	-27.2	-178.1	-67.6	-177.5	179.4	179.1	0	112.4	V239 H240 A241	K237-V239 VanDerWaalsContact C-N 3.26Å; K237-V239 PolarHBondContact O-N 3.03Å; K237-H240 WeakPolarHBondContact O-CB 3.35Å; K237-H240 PolarHBondContact O-N 3.21Å; K237-A241 WeakPolarHBondContact O-CB 3.44Å; K237-A241 PolarHBondContact O-N 3.43Å
238	E	98.6	Very high	98.4	Very high	103 Å²	103	45.3 Å²	45.3	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-64.5	-31.2	175.9	-61.8	78.5	-175.8	0	0	112.1	P236 L242 I318	P236-E238 VanDerWaalsContact CB-OE2 3.23Å; P236-E238 WeakPolarHBondContact CB-OE2 3.27Å; P236-E238 PolarHBondContact O-N 3.3Å; P236-E238 VanDerWaalsContact O-N 3.1Å; E238-L242 VanDerWaalsContact O-CB 3.32Å; E238-L242 WeakPolarHBondContact O-CB 3.49Å; E238-L242 PolarHBondContact O-N 2.79Å; E238-I318 HydrophobicContact CB-CD1 3.77Å; E238-I318 HydrophobicContact CB-CG1 3.99Å; E238-I318 HydrophobicContact CB-CG2 4.38Å
239	V	98.8	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.1	-45.3	175.8	179.5	0	0	0	0	109.8	Q235 P236 K237 L242 V243 A253 L315 I318 Y319	Q235-V239 HydrophobicContact CB-CB 4.16Å; Q235-V239 HydrophobicContact CB-CG1 4.24Å; Q235-V239 HydrophobicContact CB-CG2 4.3Å; P236-V239 HydrophobicContact CB-CG2 4.24Å; P236-V239 HydrophobicContact CG-CG2 4.37Å; P236-V239 VanDerWaalsContact O-CB 3.28Å; P236-V239 WeakPolarHBondContact O-CB 3.35Å; P236-V239 PolarHBondContact O-N 3.11Å; K237-V239 VanDerWaalsContact C-N 3.26Å; K237-V239 PolarHBondContact O-N 3.03Å; V239-L242 PolarHBondContact O-N 3.36Å; V239-V243 WeakPolarHBondContact O-CG2 3.47Å; V239-V243 PolarHBondContact O-N 3.3Å; V239-V243 VanDerWaalsContact O-N 3.11Å; V239-A253 HydrophobicContact CG1-CB 3.88Å; V239-L315 HydrophobicContact CG1-CD2 3.97Å; V239-L315 HydrophobicContact CG2-CD2 4.15Å; V239-I318 HydrophobicContact CG2-CD1 4.36Å; V239-I318 HydrophobicContact CG2-CG2 3.93Å; V239-Y319 HydrophobicContact CG2-CE1 4.46Å; V239-Y319 HydrophobicContact CG2-CE2 4.28Å; V239-Y319 WeakPolarHBondContact CG2-OH 3.49Å
240	H	98.6	Very high	98.3	Very high	23 Å²	23	45 Å²	45	11%	0.106	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-49.1	174.9	-71.2	174	0	0	0	111.7	R138 F232 Q233 K237 L242 V243 D244	R138-H240 VanDerWaalsContact NH1-CB 3.3Å; R138-H240 VanDerWaalsContact NH2-CG 3.3Å; R138-H240 PolarHBondContact NH2-ND1 3.47Å; R138-H240 VanDerWaalsContact NH2-ND1 3.15Å; F232-H240 PolarHBondContact O-NE2 2.82Å; Q233-H240 PolarHBondContact O-CE1 3.43Å; Q233-H240 VanDerWaalsContact O-CE1 3.23Å; K237-H240 WeakPolarHBondContact O-CB 3.35Å; K237-H240 PolarHBondContact O-N 3.21Å; H240-L242 VanDerWaalsContact C-N 3.34Å; H240-L242 PolarHBondContact O-N 3.09Å; H240-V243 PolarHBondContact O-N 3.36Å; H240-D244 PolarHBondContact O-N 3.39Å
241	A	98.6	Very high	98.4	Very high	37 Å²	37	41 Å²	41	31%	0.306	21%	0.207	S	C	.	.	H	α-helix	trans	-58.2	-44.9	176.8	0	0	0	0	0	111.7	K237 V243 D244 E245	K237-A241 WeakPolarHBondContact O-CB 3.44Å; K237-A241 PolarHBondContact O-N 3.43Å; A241-V243 VanDerWaalsContact C-N 3.35Å; A241-V243 PolarHBondContact O-N 2.92Å; A241-D244 PolarHBondContact O-N 3.17Å; A241-E245 VanDerWaalsContact O-CB 3.27Å; A241-E245 WeakPolarHBondContact O-CB 3.43Å; A241-E245 WeakPolarHBondContact O-CG 3.33Å; A241-E245 PolarHBondContact O-N 3.16Å
242	L	98.8	Very high	98.4	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-44.5	176.6	177	61.4	0	0	0	112.7	E238 V239 H240 T246 Y310 C311 R314 L315 I318	E238-L242 VanDerWaalsContact O-CB 3.32Å; E238-L242 WeakPolarHBondContact O-CB 3.49Å; E238-L242 PolarHBondContact O-N 2.79Å; V239-L242 PolarHBondContact O-N 3.36Å; H240-L242 VanDerWaalsContact C-N 3.34Å; H240-L242 PolarHBondContact O-N 3.09Å; L242-T246 HydrophobicContact CD1-CG2 4.04Å; L242-T246 WeakPolarHBondContact O-CB 3.32Å; L242-T246 WeakPolarHBondContact O-CG2 3.12Å; L242-T246 PolarHBondContact O-N 2.73Å; L242-T246 VanDerWaalsContact O-N 3.11Å; L242-T246 PolarHBondContact O-OG1 3.11Å; L242-Y310 HydrophobicContact CD1-CD1 4.2Å; L242-Y310 HydrophobicContact CD1-CE1 3.51Å; L242-C311 HydrophobicContact CD2-CB 4.46Å; L242-R314 HydrophobicContact CD1-CB 4.19Å; L242-R314 HydrophobicContact CD1-CG 3.92Å; L242-R314 HydrophobicContact CD2-CB 3.89Å; L242-R314 HydrophobicContact CD2-CG 3.83Å; L242-R314 HydrophobicContact CG-CG 4.41Å; L242-L315 HydrophobicContact CD2-CD2 3.88Å; L242-L315 HydrophobicContact CD2-CG 3.79Å; L242-I318 HydrophobicContact CD2-CD1 4.5Å
243	V	98.6	Very high	98.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-41.1	177.9	173.2	0	0	0	0	110.8	R138 F232 V239 H240 A241 Q247 D250 A253	R138-V243 HydrophobicContact CB-CG1 3.97Å; F232-V243 HydrophobicContact CZ-CG2 4.45Å; V239-V243 WeakPolarHBondContact O-CG2 3.47Å; V239-V243 PolarHBondContact O-N 3.3Å; V239-V243 VanDerWaalsContact O-N 3.11Å; H240-V243 PolarHBondContact O-N 3.36Å; A241-V243 VanDerWaalsContact C-N 3.35Å; A241-V243 PolarHBondContact O-N 2.92Å; V243-Q247 WeakPolarHBondContact O-CA 3.39Å; V243-Q247 PolarHBondContact O-N 2.95Å; V243-D250 HydrophobicContact CG1-CB 3.78Å; V243-D250 HydrophobicContact CG2-CB 4.49Å; V243-A253 HydrophobicContact CG2-CB 4.12Å
244	D	98.2	Very high	98.4	Very high	42 Å²	42	37.2 Å²	37.2	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-43.6	-179.6	-71.5	-30	0	0	0	112.5	Q136 R138 H240 A241 Q247	Q136-D244 PolarHBondContact OE1-OD1 2.89Å; R138-D244 WeakPolarHBondContact CD-OD1 3.33Å; R138-D244 WeakPolarHBondContact CD-OD2 3.31Å; R138-D244 WeakPolarHBondContact CG-OD1 3.4Å; R138-D244 IonicContact CZ-OD2 3.61Å; R138-D244 IonicContact NH1-OD2 2.78Å; R138-D244 PolarHBondContact NH1-OD2 2.84Å; H240-D244 PolarHBondContact O-N 3.39Å; A241-D244 PolarHBondContact O-N 3.17Å; D244-Q247 PolarHBondContact O-NE2 3.05Å
245	E	97.8	Very high	98.4	Very high	143 Å²	143	32.1 Å²	32.1	67%	0.668	16%	0.161	S	C	*	.	H	α-helix	trans	-63.6	-40.7	177.7	-75.2	168.6	-166.2	0	0	112.1	A241	A241-E245 VanDerWaalsContact O-CB 3.27Å; A241-E245 WeakPolarHBondContact O-CB 3.43Å; A241-E245 WeakPolarHBondContact O-CG 3.33Å; A241-E245 PolarHBondContact O-N 3.16Å
246	T	97.6	Very high	98.4	Very high	11 Å²	11	31 Å²	31	7%	0.067	16%	0.156	C	C	.	.	H	α-helix	trans	-86.6	-20.7	-177.8	59.4	0	0	0	0	113.2	L242 N248 Y310	L242-T246 HydrophobicContact CD1-CG2 4.04Å; L242-T246 WeakPolarHBondContact O-CB 3.32Å; L242-T246 WeakPolarHBondContact O-CG2 3.12Å; L242-T246 PolarHBondContact O-N 2.73Å; L242-T246 VanDerWaalsContact O-N 3.11Å; L242-T246 PolarHBondContact O-OG1 3.11Å; T246-N248 PolarHBondContact O-N 3.18Å; T246-N248 PolarHBondContact OG1-N 3.42Å; T246-N248 PolarHBondContact OG1-O 2.91Å; T246-Y310 HydrophobicContact CG2-CD1 4.31Å; T246-Y310 HydrophobicContact CG2-CE1 4.18Å
247	Q	97.9	Very high	98.4	Very high	48 Å²	48	28.8 Å²	28.8	22%	0.224	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	45	-163.6	-70.8	-60.5	-55.6	0	0	110.8	M137 V243 D244 M298	M137-Q247 HydrophobicContact CG-CB 4.36Å; M137-Q247 WeakPolarHBondContact CG-O 3.34Å; V243-Q247 WeakPolarHBondContact O-CA 3.39Å; V243-Q247 PolarHBondContact O-N 2.95Å; D244-Q247 PolarHBondContact O-NE2 3.05Å; Q247-M298 WeakPolarHBondContact O-CE 3.37Å
248	N	97.8	Very high	98.5	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	11%	0.106	C	C	.	.			trans	-158.5	-178.2	-174.4	-157.7	-19.3	0	0	0	108.6	T246 D250 H304 Q307 R308	T246-N248 PolarHBondContact O-N 3.18Å; T246-N248 PolarHBondContact OG1-N 3.42Å; T246-N248 PolarHBondContact OG1-O 2.91Å; N248-D250 PolarHBondContact O-N 3.21Å; N248-H304 PolarHBondContact ND2-CE1 3.24Å; N248-H304 PolarHBondContact ND2-ND1 3.2Å; N248-H304 VanDerWaalsContact ND2-ND1 3.18Å; N248-Q307 PolarHBondContact ND2-OE1 3.45Å; N248-R308 PolarHBondContact OD1-NE 3.39Å; N248-R308 VanDerWaalsContact OD1-NE 3.12Å; N248-R308 PolarHBondContact OD1-NH2 2.72Å
249	C	97.5	Very high	98.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	9%	0.085	C	C	.	.			trans	60.9	10.7	166.8	-47.6	0	0	0	0	116.8	D251 I252 A253 C311	C249-D251 PolarHBondContact O-N 2.85Å; C249-I252 HydrophobicContact CB-CB 4.39Å; C249-I252 HydrophobicContact CB-CD1 4.22Å; C249-I252 PolarHBondContact O-N 3.34Å; C249-A253 WeakPolarHBondContact O-CB 3.14Å; C249-A253 PolarHBondContact O-N 2.85Å; C249-C311 HydrophobicContact CB-CB 3.45Å; C249-C311 VanDerWaalsContact CB-CB 3.45Å; C249-C311 WeakPolarHBondContact CB-SG 3.37Å; C249-C311 WeakPolarHBondContact SG-CB 3.01Å; C249-C311 CovalentContact SG-SG 2.02Å; C249-C311 PolarHBondContact SG-SG 3.18Å
250	D	98.7	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-37.8	174.7	62.5	-52.9	0	0	0	110.7	M137 R140 L141 V243 N248 A253 V254	M137-D250 WeakPolarHBondContact CE-OD1 3.19Å; R140-D250 IonicContact CZ-OD2 3.77Å; R140-D250 IonicContact NE-OD2 3.94Å; R140-D250 PolarHBondContact NE-OD2 3.2Å; R140-D250 IonicContact NH2-OD1 3.66Å; R140-D250 PolarHBondContact NH2-OD1 3.49Å; R140-D250 IonicContact NH2-OD2 2.82Å; R140-D250 PolarHBondContact NH2-OD2 2.72Å; L141-D250 HydrophobicContact CD1-CB 3.97Å; V243-D250 HydrophobicContact CG1-CB 3.78Å; V243-D250 HydrophobicContact CG2-CB 4.49Å; N248-D250 PolarHBondContact O-N 3.21Å; D250-A253 PolarHBondContact O-N 2.85Å; D250-V254 WeakPolarHBondContact O-CG2 3.49Å; D250-V254 PolarHBondContact O-N 2.74Å
251	D	98.8	Very high	98.2	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-66.3	-40.2	173.4	59.6	-0.9	0	0	0	114	L218 I219 C249 V254 N255 R308	L218-D251 WeakPolarHBondContact CD2-OD2 3.29Å; I219-D251 HydrophobicContact CD1-CB 4.23Å; I219-D251 HydrophobicContact CG1-CB 3.73Å; C249-D251 PolarHBondContact O-N 2.85Å; D251-V254 PolarHBondContact O-N 3.28Å; D251-N255 PolarHBondContact O-N 2.83Å; D251-N255 PolarHBondContact O-ND2 2.82Å; D251-R308 VanDerWaalsContact CG-NH2 3.26Å; D251-R308 IonicContact OD1-CZ 3.19Å; D251-R308 IonicContact OD1-NH1 2.85Å; D251-R308 PolarHBondContact OD1-NH1 3.44Å; D251-R308 IonicContact OD1-NH2 2.72Å; D251-R308 PolarHBondContact OD1-NH2 3.37Å; D251-R308 VanDerWaalsContact OD1-NH2 3.11Å; D251-R308 IonicContact OD2-CZ 2.98Å; D251-R308 IonicContact OD2-NH1 3.77Å; D251-R308 PolarHBondContact OD2-NH1 3.15Å; D251-R308 IonicContact OD2-NH2 3.51Å; D251-R308 PolarHBondContact OD2-NH2 3.48Å
252	I	98.9	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.5	-46.7	173.7	-58.8	177.6	0	0	0	109.3	Y198 M216 C249 V254 N255 F256 R308 C311 L312 L315	Y198-I252 HydrophobicContact CD2-CD1 3.84Å; Y198-I252 HydrophobicContact CD2-CG1 4.49Å; Y198-I252 HydrophobicContact CE2-CD1 4.04Å; Y198-I252 HydrophobicContact CE2-CG1 4.32Å; M216-I252 HydrophobicContact SD-CB 4.42Å; M216-I252 HydrophobicContact SD-CG1 4.09Å; M216-I252 HydrophobicContact SD-CG2 4.07Å; C249-I252 HydrophobicContact CB-CB 4.39Å; C249-I252 HydrophobicContact CB-CD1 4.22Å; C249-I252 PolarHBondContact O-N 3.34Å; I252-V254 VanDerWaalsContact C-N 3.33Å; I252-V254 PolarHBondContact O-N 3.47Å; I252-N255 PolarHBondContact O-N 3.13Å; I252-F256 HydrophobicContact CG2-CD2 3.97Å; I252-F256 HydrophobicContact CG2-CE2 3.89Å; I252-F256 WeakPolarHBondContact O-CD2 3.33Å; I252-F256 PolarHBondContact O-N 2.84Å; I252-R308 HydrophobicContact CD1-CB 3.83Å; I252-R308 HydrophobicContact CD1-CG 3.94Å; I252-C311 HydrophobicContact CD1-CB 4.35Å; I252-L312 HydrophobicContact CG2-CD2 3.66Å; I252-L312 HydrophobicContact CG2-CG 4.4Å; I252-L315 HydrophobicContact CB-CD1 4.34Å; I252-L315 HydrophobicContact CG2-CD1 3.61Å
253	A	98.9	Very high	97.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-59.8	-42.2	178.2	0	0	0	0	0	111.8	F232 V239 V243 C249 D250 F256 A257 L315	F232-A253 HydrophobicContact CE2-CB 4.11Å; V239-A253 HydrophobicContact CG1-CB 3.88Å; V243-A253 HydrophobicContact CG2-CB 4.12Å; C249-A253 WeakPolarHBondContact O-CB 3.14Å; C249-A253 PolarHBondContact O-N 2.85Å; D250-A253 PolarHBondContact O-N 2.85Å; A253-F256 WeakPolarHBondContact O-CB 3.42Å; A253-F256 PolarHBondContact O-N 2.74Å; A253-A257 WeakPolarHBondContact O-CB 3.45Å; A253-A257 PolarHBondContact O-N 3.19Å; A253-L315 HydrophobicContact CB-CD1 4.42Å; A253-L315 HydrophobicContact CB-CD2 4.46Å
254	V	98.9	Very high	97.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-42.6	174.7	171	0	0	0	0	111.6	L141 I180 I219 F232 D250 D251 I252 F256 A257 V258	L141-V254 HydrophobicContact CD1-CG2 3.81Å; L141-V254 HydrophobicContact CD2-CG2 3.83Å; I180-V254 HydrophobicContact CD1-CG1 4.09Å; I219-V254 HydrophobicContact CD1-CB 4.23Å; I219-V254 HydrophobicContact CD1-CG2 3.95Å; I219-V254 HydrophobicContact CG2-CB 4.34Å; I219-V254 HydrophobicContact CG2-CG1 3.91Å; F232-V254 HydrophobicContact CD2-CG2 4Å; D250-V254 WeakPolarHBondContact O-CG2 3.49Å; D250-V254 PolarHBondContact O-N 2.74Å; D251-V254 PolarHBondContact O-N 3.28Å; I252-V254 VanDerWaalsContact C-N 3.33Å; I252-V254 PolarHBondContact O-N 3.47Å; V254-F256 VanDerWaalsContact C-N 3.31Å; V254-F256 PolarHBondContact O-N 2.66Å; V254-A257 PolarHBondContact O-N 2.95Å; V254-V258 HydrophobicContact CG1-CG2 4.26Å; V254-V258 WeakPolarHBondContact O-CG2 3.33Å; V254-V258 PolarHBondContact O-N 2.92Å
255	N	98.9	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-39.8	175.8	-85.9	-91.2	0	0	0	112.2	M216 V217 D251 I252 A259 S275 L324	M216-N255 WeakPolarHBondContact CA-OD1 3.43Å; M216-N255 HydrophobicContact CB-CB 4.37Å; M216-N255 HydrophobicContact CG-CB 3.89Å; V217-N255 PolarHBondContact N-OD1 3.05Å; V217-N255 VanDerWaalsContact N-OD1 3.13Å; V217-N255 PolarHBondContact O-ND2 3.02Å; D251-N255 PolarHBondContact O-N 2.83Å; D251-N255 PolarHBondContact O-ND2 2.82Å; I252-N255 PolarHBondContact O-N 3.13Å; N255-A259 WeakPolarHBondContact O-CB 3.45Å; N255-A259 PolarHBondContact O-N 2.79Å; N255-S275 WeakPolarHBondContact O-CB 3.38Å; N255-S275 PolarHBondContact OD1-OG 3.47Å; N255-L324 HydrophobicContact CB-CD2 3.97Å
256	F	98.8	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-49.7	172.6	-91.7	-118	0	0	0	111.6	I252 A253 V254 V258 A259 L260 L312 L315 Y319 M322 P323 L324	I252-F256 HydrophobicContact CG2-CD2 3.97Å; I252-F256 HydrophobicContact CG2-CE2 3.89Å; I252-F256 WeakPolarHBondContact O-CD2 3.33Å; I252-F256 PolarHBondContact O-N 2.84Å; A253-F256 WeakPolarHBondContact O-CB 3.42Å; A253-F256 PolarHBondContact O-N 2.74Å; V254-F256 VanDerWaalsContact C-N 3.31Å; V254-F256 PolarHBondContact O-N 2.66Å; F256-V258 VanDerWaalsContact C-N 3.33Å; F256-V258 PolarHBondContact O-N 2.86Å; F256-A259 PolarHBondContact O-N 3.06Å; F256-L260 VanDerWaalsContact O-CG 3.3Å; F256-L260 WeakPolarHBondContact O-CG 3.44Å; F256-L260 PolarHBondContact O-N 3.31Å; F256-L312 HydrophobicContact CE2-CD2 3.79Å; F256-L312 HydrophobicContact CZ-CD2 4.27Å; F256-L315 HydrophobicContact CD1-CB 3.79Å; F256-L315 HydrophobicContact CD2-CD1 4.09Å; F256-L315 HydrophobicContact CE1-CB 3.55Å; F256-L315 HydrophobicContact CE2-CB 4.44Å; F256-L315 HydrophobicContact CE2-CD1 4.25Å; F256-L315 HydrophobicContact CG-CB 4.33Å; F256-L315 HydrophobicContact CG-CD1 4.23Å; F256-L315 HydrophobicContact CZ-CB 3.91Å; F256-Y319 HydrophobicContact CB-CE2 4.05Å; F256-Y319 AromaticContact CD1-CD2 3.6Å; F256-Y319 HydrophobicContact CD1-CD2 3.6Å; F256-Y319 AromaticContact CD1-CE2 3.78Å; F256-Y319 HydrophobicContact CD1-CE2 3.78Å; F256-Y319 HydrophobicContact CE1-CD2 4.26Å; F256-Y319 HydrophobicContact CG-CE2 4.34Å; F256-M322 HydrophobicContact CE1-SD 4.32Å; F256-M322 HydrophobicContact CE2-SD 4.18Å; F256-M322 HydrophobicContact CZ-CE 3.94Å; F256-M322 HydrophobicContact CZ-SD 3.62Å; F256-P323 HydrophobicContact CB-CG 4.28Å; F256-P323 VanDerWaalsContact CD1-CD 3.46Å; F256-P323 HydrophobicContact CD1-CG 3.34Å; F256-P323 HydrophobicContact CE1-CG 3.76Å; F256-P323 HydrophobicContact CG-CG 3.83Å; F256-L324 HydrophobicContact CD2-CD1 3.9Å; F256-L324 HydrophobicContact CD2-CD2 3.82Å; F256-L324 HydrophobicContact CD2-CG 3.78Å; F256-L324 HydrophobicContact CE2-CD1 3.42Å; F256-L324 VanDerWaalsContact CE2-CD1 3.42Å; F256-L324 HydrophobicContact CE2-CD2 4.17Å; F256-L324 HydrophobicContact CE2-CG 3.6Å; F256-L324 HydrophobicContact CZ-CD1 4.29Å; F256-L324 HydrophobicContact CZ-CG 4.3Å
257	A	98.6	Very high	95.2	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-43.7	179.9	0	0	0	0	0	111.7	L231 Q235 A253 V254 L260 Y261	L231-A257 HydrophobicContact CD2-CB 4.04Å; L231-A257 HydrophobicContact CG-CB 4.29Å; Q235-A257 HydrophobicContact CG-CB 4.16Å; A253-A257 WeakPolarHBondContact O-CB 3.45Å; A253-A257 PolarHBondContact O-N 3.19Å; V254-A257 PolarHBondContact O-N 2.95Å; A257-L260 PolarHBondContact O-N 2.98Å; A257-Y261 WeakPolarHBondContact O-CB 3.22Å; A257-Y261 PolarHBondContact O-N 2.83Å
258	V	98.6	Very high	93.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-43.5	176.6	174	0	0	0	0	111.5	I180 Y228 V254 F256 L260 Y261 L262 S275	I180-V258 HydrophobicContact CD1-CB 4.24Å; I180-V258 HydrophobicContact CD1-CG2 3.95Å; I180-V258 HydrophobicContact CG1-CG1 4.39Å; I180-V258 HydrophobicContact CG1-CG2 4.11Å; Y228-V258 HydrophobicContact CD1-CG2 3.87Å; Y228-V258 HydrophobicContact CD2-CG2 3.67Å; Y228-V258 HydrophobicContact CE1-CG2 3.99Å; Y228-V258 HydrophobicContact CE2-CG1 4.24Å; Y228-V258 HydrophobicContact CE2-CG2 3.79Å; Y228-V258 HydrophobicContact CG-CG2 3.72Å; V254-V258 HydrophobicContact CG1-CG2 4.26Å; V254-V258 WeakPolarHBondContact O-CG2 3.33Å; V254-V258 PolarHBondContact O-N 2.92Å; F256-V258 VanDerWaalsContact C-N 3.33Å; F256-V258 PolarHBondContact O-N 2.86Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L260 PolarHBondContact O-N 3.47Å; V258-Y261 WeakPolarHBondContact O-CB 3.41Å; V258-Y261 PolarHBondContact O-N 2.64Å; V258-L262 HydrophobicContact CG1-CD1 3.95Å; V258-L262 HydrophobicContact CG1-CG 4.31Å; V258-L262 WeakPolarHBondContact O-CB 3.19Å; V258-L262 WeakPolarHBondContact O-CG 3.34Å; V258-L262 PolarHBondContact O-N 2.89Å; V258-S275 WeakPolarHBondContact CG1-O 3.19Å
259	A	97.9	Very high	91.1	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-43.5	176.7	0	0	0	0	0	112.1	N255 F256 L262 R263 P323 L324	N255-A259 WeakPolarHBondContact O-CB 3.45Å; N255-A259 PolarHBondContact O-N 2.79Å; F256-A259 PolarHBondContact O-N 3.06Å; A259-L262 PolarHBondContact O-N 3.21Å; A259-R263 WeakPolarHBondContact O-CB 3.44Å; A259-R263 PolarHBondContact O-N 2.88Å; A259-P323 HydrophobicContact CB-CB 4.07Å; A259-P323 HydrophobicContact CB-CG 4.47Å; A259-P323 WeakPolarHBondContact CB-O 3.25Å; A259-L324 HydrophobicContact CB-CD2 4.32Å
260	L	96.9	Very high	89.2	Confident	37 Å²	37	46.5 Å²	46.5	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-43.6	175.5	-69.9	169.6	0	0	0	111.8	F256 A257 V258 R263 K264 Y319 F321 P323	F256-L260 VanDerWaalsContact O-CG 3.3Å; F256-L260 WeakPolarHBondContact O-CG 3.44Å; F256-L260 PolarHBondContact O-N 3.31Å; A257-L260 PolarHBondContact O-N 2.98Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L260 PolarHBondContact O-N 3.47Å; L260-R263 PolarHBondContact O-N 3.12Å; L260-K264 PolarHBondContact O-N 3.15Å; L260-Y319 HydrophobicContact CD1-CD1 3.51Å; L260-Y319 HydrophobicContact CD1-CD2 4.23Å; L260-Y319 HydrophobicContact CD1-CE1 3.53Å; L260-Y319 HydrophobicContact CD1-CE2 4.24Å; L260-Y319 HydrophobicContact CD1-CG 3.88Å; L260-F321 HydrophobicContact CD2-CE1 4.08Å; L260-F321 HydrophobicContact CD2-CE2 4.22Å; L260-F321 HydrophobicContact CD2-CZ 3.44Å; L260-F321 VanDerWaalsContact CD2-CZ 3.44Å; L260-P323 HydrophobicContact CD2-CB 3.74Å; L260-P323 HydrophobicContact CD2-CG 4.29Å; L260-P323 HydrophobicContact CG-CB 3.94Å; L260-P323 HydrophobicContact CG-CG 4.17Å
261	Y	96.5	Very high	87.6	Confident	47 Å²	47	52.8 Å²	52.8	18%	0.184	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-51.5	174.9	175.1	-92.9	0	0	0	111.3	R227 Y228 L231 A257 V258 R263 K264 H265	R227-Y261 PolarHBondContact NH1-OH 2.85Å; Y228-Y261 AromaticContact CE1-CD1 3.8Å; Y228-Y261 HydrophobicContact CE1-CD1 3.8Å; Y228-Y261 HydrophobicContact CE1-CE1 4.2Å; Y228-Y261 HydrophobicContact CE1-CG 4.01Å; L231-Y261 HydrophobicContact CD2-CD2 4.34Å; L231-Y261 HydrophobicContact CD2-CG 4.27Å; A257-Y261 WeakPolarHBondContact O-CB 3.22Å; A257-Y261 PolarHBondContact O-N 2.83Å; V258-Y261 WeakPolarHBondContact O-CB 3.41Å; V258-Y261 PolarHBondContact O-N 2.64Å; Y261-R263 VanDerWaalsContact C-N 3.32Å; Y261-R263 PolarHBondContact O-N 2.86Å; Y261-K264 PolarHBondContact O-N 3.03Å; Y261-H265 AromaticContact CD2-CE1 3.43Å; Y261-H265 VanDerWaalsContact CD2-CE1 3.43Å; Y261-H265 WeakPolarHBondContact CD2-CE1 3.32Å; Y261-H265 AromaticContact CD2-ND1 3.58Å; Y261-H265 AromaticContact CE2-CE1 3.17Å; Y261-H265 WeakPolarHBondContact CE2-CE1 3.45Å; Y261-H265 AromaticContact CE2-ND1 3.49Å; Y261-H265 WeakPolarHBondContact CE2-ND1 3.27Å; Y261-H265 AromaticContact CE2-NE2 3.66Å; Y261-H265 AromaticContact CG-ND1 3.95Å; Y261-H265 AromaticContact CZ-CE1 3.83Å; Y261-H265 AromaticContact CZ-ND1 3.79Å; Y261-H265 PolarHBondContact O-N 3.38Å; Y261-H265 PolarHBondContact O-ND1 3.11Å
262	L	95.4	Very high	86.7	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-42.3	179.5	-73.8	172.5	0	0	0	111.6	D178 Q179 V258 A259 K264 H265 S266 R273	D178-L262 HydrophobicContact CB-CD2 3.74Å; D178-L262 WeakPolarHBondContact O-CD2 3.37Å; Q179-L262 HydrophobicContact CG-CD1 3.93Å; V258-L262 HydrophobicContact CG1-CD1 3.95Å; V258-L262 HydrophobicContact CG1-CG 4.31Å; V258-L262 WeakPolarHBondContact O-CB 3.19Å; V258-L262 WeakPolarHBondContact O-CG 3.34Å; V258-L262 PolarHBondContact O-N 2.89Å; A259-L262 PolarHBondContact O-N 3.21Å; L262-K264 PolarHBondContact O-N 3.08Å; L262-H265 PolarHBondContact O-N 3.39Å; L262-S266 WeakPolarHBondContact O-CB 3.27Å; L262-S266 PolarHBondContact O-N 2.89Å; L262-S266 PolarHBondContact O-OG 2.98Å; L262-R273 HydrophobicContact CD1-CB 4.38Å
263	R	92.8	Very high	86.3	Confident	131 Å²	131	62.4 Å²	62.4	49%	0.494	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-43	176.7	-176.4	176.3	178.5	167.3	-0.5	112	A259 L260 Y261 H265	A259-R263 WeakPolarHBondContact O-CB 3.44Å; A259-R263 PolarHBondContact O-N 2.88Å; L260-R263 PolarHBondContact O-N 3.12Å; Y261-R263 VanDerWaalsContact C-N 3.32Å; Y261-R263 PolarHBondContact O-N 2.86Å; R263-H265 VanDerWaalsContact C-N 3.31Å; R263-H265 PolarHBondContact O-N 2.8Å
264	K	92.1	Very high	86.1	Confident	178 Å²	178	63.5 Å²	63.5	77%	0.774	35%	0.351	S	S	*	.	H	α-helix	trans	-66.9	-31.7	179.4	-175.7	177.9	177.9	-177.9	0	112.7	L260 Y261 L262	L260-K264 PolarHBondContact O-N 3.15Å; Y261-K264 PolarHBondContact O-N 3.03Å; L262-K264 PolarHBondContact O-N 3.08Å
265	H	89.2	Confident	86	Confident	109 Å²	109	63.3 Å²	63.3	51%	0.505	35%	0.35	S	S	.	.	H	α-helix	trans	-100.7	4.2	-176.6	-63	79.8	0	0	0	113.5	Y261 L262 R263	Y261-H265 AromaticContact CD2-CE1 3.43Å; Y261-H265 VanDerWaalsContact CD2-CE1 3.43Å; Y261-H265 WeakPolarHBondContact CD2-CE1 3.32Å; Y261-H265 AromaticContact CD2-ND1 3.58Å; Y261-H265 AromaticContact CE2-CE1 3.17Å; Y261-H265 WeakPolarHBondContact CE2-CE1 3.45Å; Y261-H265 AromaticContact CE2-ND1 3.49Å; Y261-H265 WeakPolarHBondContact CE2-ND1 3.27Å; Y261-H265 AromaticContact CE2-NE2 3.66Å; Y261-H265 AromaticContact CG-ND1 3.95Å; Y261-H265 AromaticContact CZ-CE1 3.83Å; Y261-H265 AromaticContact CZ-ND1 3.79Å; Y261-H265 PolarHBondContact O-N 3.38Å; Y261-H265 PolarHBondContact O-ND1 3.11Å; L262-H265 PolarHBondContact O-N 3.39Å; R263-H265 VanDerWaalsContact C-N 3.31Å; R263-H265 PolarHBondContact O-N 2.8Å
266	S	84.7	Confident	86	Confident	33 Å²	33	63.4 Å²	63.4	23%	0.231	35%	0.351	C	S	.	.	S	Bend	trans	-88.3	128.9	172.4	-65.7	0	0	0	0	109.5	L262 S268	L262-S266 WeakPolarHBondContact O-CB 3.27Å; L262-S266 PolarHBondContact O-N 2.89Å; L262-S266 PolarHBondContact O-OG 2.98Å; S266-S268 PolarHBondContact O-N 2.95Å
267	N	72.1	Confident	86	Confident	143 Å²	143	63.6 Å²	63.6	77%	0.765	35%	0.352	S	S	*	.			trans	-56.6	139.2	173.6	-71.3	-26.6	0	0	0	110	G269 A270	N267-G269 PolarHBondContact O-N 3.24Å; N267-A270 PolarHBondContact O-N 2.96Å
268	S	53.4	Low	86	Confident	135 Å²	135	64.9 Å²	64.9	94%	0.944	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	103.8	178.7	-50.7	0	0	0	0	110.1	S266	S266-S268 PolarHBondContact O-N 2.95Å
269	G	54.8	Low	86	Confident	82 Å²	82	64.8 Å²	64.8	85%	0.845	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.2	-13.5	-177.2	0	0	0	0	0	115.4	N267	N267-G269 PolarHBondContact O-N 3.24Å
270	A	59.5	Low	86	Confident	58 Å²	58	69.9 Å²	69.9	48%	0.479	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-74.9	136.6	174	0	0	0	0	0	111.7	N267 H272	N267-A270 PolarHBondContact O-N 2.96Å; A270-H272 PolarHBondContact O-N 3.21Å
271	V	65.1	Low	86.1	Confident	132 Å²	132	69.9 Å²	69.9	80%	0.8	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-49.8	135.3	170.3	176.9	0	0	0	0	109.4	R273	V271-R273 PolarHBondContact O-N 3.28Å
272	H	79.1	Confident	86.1	Confident	117 Å²	117	70.7 Å²	70.7	54%	0.542	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-53.3	116.9	177.5	-70.8	-65.7	0	0	0	110.9	A270 C325	A270-H272 PolarHBondContact O-N 3.21Å; H272-C325 HydrophobicContact CB-CB 4.33Å; H272-C325 VanDerWaalsContact CB-SG 3.52Å
273	R	90.1	Very high	86.3	Confident	89 Å²	89	73.1 Å²	73.1	34%	0.336	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-82.1	133.2	-176.8	-66.3	178.4	65.4	-174.5	-0.7	110.4	L262 V271	L262-R273 HydrophobicContact CD1-CB 4.38Å; V271-R273 PolarHBondContact O-N 3.28Å
274	P	94.9	Very high	86.5	Confident	24 Å²	24	69.7 Å²	69.7	16%	0.156	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-64.4	146.9	173.7	28.8	-35.3	0	0	0	110.6	Q179 G276	Q179-P274 PolarHBondContact NE2-O 3.03Å; P274-G276 PolarHBondContact O-N 2.88Å
275	S	97.6	Very high	86.8	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.378	C	S	.	.	S	Bend	trans	-62.3	-23.7	179.9	56.2	0	0	0	0	113.1	I180 S215 N255 V258	I180-S275 PolarHBondContact N-O 3.16Å; S215-S275 PolarHBondContact O-OG 2.84Å; N255-S275 WeakPolarHBondContact O-CB 3.38Å; N255-S275 PolarHBondContact OD1-OG 3.47Å; V258-S275 WeakPolarHBondContact CG1-O 3.19Å
276	G	98.3	Very high	87.2	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	168.7	-177.3	0	0	0	0	0	115.3	I180 P274	I180-G276 CarbonylContact O-C 3.07Å; I180-G276 WeakPolarHBondContact O-CA 2.94Å; P274-G276 PolarHBondContact O-N 2.88Å
277	I	98.7	Very high	87.7	Confident	5 Å²	5	65 Å²	65	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.8	176	-55.6	-68.5	0	0	0	107.7	V172 F176 Q179 I180 V181 G182 L329 V331	V172-I277 HydrophobicContact CG1-CG2 4.26Å; F176-I277 HydrophobicContact CB-CG1 4.26Å; F176-I277 HydrophobicContact CD1-CD1 4.37Å; F176-I277 HydrophobicContact CD1-CG1 4.47Å; F176-I277 HydrophobicContact CD2-CG1 4.45Å; F176-I277 HydrophobicContact CG-CG1 4.15Å; Q179-I277 HydrophobicContact CB-CG1 4.27Å; Q179-I277 VanDerWaalsContact NE2-CD1 3.32Å; I180-I277 PolarHBondContact O-N 3.49Å; V181-I277 HydrophobicContact CG2-CB 4.19Å; V181-I277 HydrophobicContact CG2-CG1 4.41Å; G182-I277 PolarHBondContact N-O 3.31Å; G182-I277 VanDerWaalsContact N-O 3.12Å; I277-L329 HydrophobicContact CD1-CD2 3.92Å; I277-L329 HydrophobicContact CG2-CD2 4.37Å; I277-V331 HydrophobicContact CG2-CG2 3.73Å
278	F	98.8	Very high	88.8	Confident	30 Å²	30	58.8 Å²	58.8	13%	0.132	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.1	174.2	170.9	-139.7	0	0	0	111	P185 Y214 K280 M330 V331	P185-F278 HydrophobicContact CB-CB 4.22Å; P185-F278 HydrophobicContact CB-CD1 4.43Å; P185-F278 HydrophobicContact CB-CD2 4.21Å; P185-F278 HydrophobicContact CB-CG 4.04Å; P185-F278 HydrophobicContact CG-CD1 4.01Å; P185-F278 HydrophobicContact CG-CD2 3.72Å; P185-F278 HydrophobicContact CG-CE1 4.1Å; P185-F278 HydrophobicContact CG-CE2 3.84Å; P185-F278 HydrophobicContact CG-CG 3.83Å; P185-F278 HydrophobicContact CG-CZ 4.03Å; Y214-F278 HydrophobicContact CD1-CB 4.2Å; Y214-F278 HydrophobicContact CE1-CB 3.6Å; Y214-F278 HydrophobicContact CE1-CD1 4.49Å; Y214-F278 HydrophobicContact CE2-CB 4.14Å; Y214-F278 PolarHBondContact OH-N 3.13Å; F278-K280 HydrophobicContact CE2-CB 4.45Å; F278-K280 HydrophobicContact CZ-CB 4Å; F278-K280 HydrophobicContact CZ-CG 4.37Å; F278-M330 HydrophobicContact CD1-CB 3.82Å; F278-M330 HydrophobicContact CD1-CG 3.63Å; F278-M330 HydrophobicContact CD1-SD 4.33Å; F278-M330 HydrophobicContact CE1-CB 4.07Å; F278-M330 HydrophobicContact CE1-CG 3.45Å; F278-M330 VanDerWaalsContact CE1-CG 3.45Å; F278-M330 HydrophobicContact CE1-SD 3.59Å; F278-M330 VanDerWaalsContact CE1-SD 3.59Å; F278-M330 HydrophobicContact CZ-CG 4.3Å; F278-M330 HydrophobicContact CZ-SD 4.32Å; F278-V331 PolarHBondContact O-N 3.05Å
279	V	98.8	Very high	90.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.6	167.5	177.9	0	0	0	0	108	F168 A169 V172 V181 G182 F183 P281 V331	F168-V279 HydrophobicContact CD1-CG1 3.77Å; F168-V279 HydrophobicContact CE1-CG1 3.86Å; A169-V279 HydrophobicContact CB-CG1 4.45Å; V172-V279 HydrophobicContact CB-CG2 4.31Å; V172-V279 HydrophobicContact CG1-CG2 4.14Å; V172-V279 HydrophobicContact CG2-CG2 4.3Å; V181-V279 HydrophobicContact CG1-CG2 3.53Å; G182-V279 PolarHBondContact O-N 2.88Å; F183-V279 HydrophobicContact CD1-CB 4.28Å; F183-V279 HydrophobicContact CD1-CG1 4.32Å; F183-V279 HydrophobicContact CE1-CB 4.33Å; F183-V279 HydrophobicContact CE1-CG1 4.09Å; V279-P281 VanDerWaalsContact O-CD 3.25Å; V279-P281 WeakPolarHBondContact O-CD 3.33Å; V279-V331 HydrophobicContact CG2-CB 4.38Å
280	K	98.3	Very high	92.5	Very high	112 Å²	112	62.2 Å²	62.2	49%	0.487	31%	0.314	S	S	.	.			trans	-70	114.6	177.5	-176.2	-177.5	179.7	178.2	0	109.3	F278 M330 V331	F278-K280 HydrophobicContact CE2-CB 4.45Å; F278-K280 HydrophobicContact CZ-CB 4Å; F278-K280 HydrophobicContact CZ-CG 4.37Å; K280-M330 HydrophobicContact CB-CG 3.98Å; K280-M330 HydrophobicContact CB-SD 4.03Å; K280-M330 HydrophobicContact CD-CE 4.24Å; K280-M330 HydrophobicContact CD-SD 3.85Å; K280-M330 HydrophobicContact CG-SD 4.28Å; K280-V331 PolarHBondContact N-O 3.12Å
281	P	98	Very high	94	Very high	36 Å²	36	60 Å²	60	23%	0.234	30%	0.296	C	S	.	.			trans	-72.7	150.9	178.4	31.5	-35.3	0	0	0	111.1	D165 F183 V279 L284	D165-P281 WeakPolarHBondContact OD1-CA 3.42Å; F183-P281 HydrophobicContact CB-CB 4.3Å; F183-P281 HydrophobicContact CB-CG 4.13Å; F183-P281 HydrophobicContact CD1-CB 3.91Å; F183-P281 HydrophobicContact CG-CB 4.35Å; V279-P281 VanDerWaalsContact O-CD 3.25Å; V279-P281 WeakPolarHBondContact O-CD 3.33Å; P281-L284 HydrophobicContact CB-CB 3.75Å; P281-L284 HydrophobicContact CB-CD1 4.32Å; P281-L284 HydrophobicContact CG-CB 3.97Å; P281-L284 HydrophobicContact CG-CD1 4.24Å
282	V	97.3	Very high	95.2	Very high	65 Å²	65	57 Å²	57	39%	0.394	29%	0.292	S	S	.	.	S	Bend	trans	-91.6	-47	172.2	173.8	0	0	0	0	111.3	D165 F336 P337	D165-V282 VanDerWaalsContact CG-N 3.33Å; D165-V282 PolarHBondContact OD1-N 3.45Å; D165-V282 PolarHBondContact OD2-N 2.81Å; D165-V282 VanDerWaalsContact OD2-N 3.16Å; V282-F336 HydrophobicContact CB-CE1 3.93Å; V282-F336 HydrophobicContact CG1-CE1 3.97Å; V282-F336 HydrophobicContact CG1-CZ 4.37Å; V282-F336 HydrophobicContact CG2-CD1 3.81Å; V282-F336 HydrophobicContact CG2-CE1 3.63Å; V282-P337 HydrophobicContact CG1-CB 3.75Å; V282-P337 HydrophobicContact CG1-CG 3.72Å; V282-P337 HydrophobicContact CG2-CG 4.28Å
283	D	98	Very high	95.7	Very high	55 Å²	55	54.3 Å²	54.3	29%	0.294	29%	0.286	S	S	.	.	S	Bend	trans	-134.7	96.9	175	173.4	26.9	0	0	0	109.3	S162 D165 R285	S162-D283 WeakPolarHBondContact CB-O 3.39Å; S162-D283 PolarHBondContact N-O 3.45Å; D165-D283 PolarHBondContact OD2-N 2.75Å; D283-R285 WeakPolarHBondContact OD1-CG 3.42Å; D283-R285 IonicContact OD1-CZ 2.77Å; D283-R285 IonicContact OD1-NE 3.33Å; D283-R285 PolarHBondContact OD1-NE 2.02Å; D283-R285 IonicContact OD1-NH2 3.97Å; D283-R285 IonicContact OD2-CZ 3.23Å; D283-R285 IonicContact OD2-NE 2.9Å; D283-R285 IonicContact OD2-NH2 3.21Å; D283-R285 PolarHBondContact OD2-NH2 2.73Å
284	L	98.1	Very high	95.6	Very high	59 Å²	59	53 Å²	53	31%	0.309	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.5	168.8	-175.8	157.2	0	0	0	107.8	T159 L160 V161 F183 A221 P281	T159-L284 HydrophobicContact CG2-CD1 4.43Å; T159-L284 HydrophobicContact CG2-CD2 4.24Å; T159-L284 HydrophobicContact CG2-CG 4.19Å; L160-L284 WeakPolarHBondContact O-CA 3.28Å; V161-L284 HydrophobicContact CG2-CD1 4.09Å; V161-L284 HydrophobicContact CG2-CG 4.22Å; F183-L284 HydrophobicContact CB-CD1 3.48Å; F183-L284 VanDerWaalsContact CB-CD1 3.48Å; F183-L284 HydrophobicContact CD2-CD1 4.23Å; F183-L284 HydrophobicContact CG-CD1 4.01Å; A221-L284 HydrophobicContact CB-CD1 4.44Å; P281-L284 HydrophobicContact CB-CB 3.75Å; P281-L284 HydrophobicContact CB-CD1 4.32Å; P281-L284 HydrophobicContact CG-CB 3.97Å; P281-L284 HydrophobicContact CG-CD1 4.24Å
285	R	98.1	Very high	95.2	Very high	121 Å²	121	54.6 Å²	54.6	46%	0.457	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.6	-178.6	-76	175.1	-79.7	156.3	-3.6	110.7	L160 D283 L287	L160-R285 HydrophobicContact CB-CB 4.41Å; L160-R285 PolarHBondContact N-O 2.94Å; L160-R285 PolarHBondContact O-N 3.28Å; D283-R285 WeakPolarHBondContact OD1-CG 3.42Å; D283-R285 IonicContact OD1-CZ 2.77Å; D283-R285 IonicContact OD1-NE 3.33Å; D283-R285 PolarHBondContact OD1-NE 2.02Å; D283-R285 IonicContact OD1-NH2 3.97Å; D283-R285 IonicContact OD2-CZ 3.23Å; D283-R285 IonicContact OD2-NE 2.9Å; D283-R285 IonicContact OD2-NH2 3.21Å; D283-R285 PolarHBondContact OD2-NH2 2.73Å; R285-L287 HydrophobicContact CB-CD2 4.35Å
286	N	96.9	Very high	94.8	Very high	81 Å²	81	63.4 Å²	63.4	43%	0.433	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.8	168.9	-179.4	-75.1	0	0	0	108.8	D158 E288	D158-N286 CarbonylContact O-C 3.54Å; D158-N286 WeakPolarHBondContact O-CA 3.37Å; N286-E288 WeakPolarHBondContact OD1-CB 3.34Å; N286-E288 PolarHBondContact OD1-N 3.34Å
287	L	96.5	Very high	94.3	Very high	20 Å²	20	63.6 Å²	63.6	11%	0.105	34%	0.339	C	S	.	.			trans	-101.5	14.3	-177	-53.8	-173.6	0	0	0	112.4	I84 L88 D158 L160 R285 K289 D290	I84-L287 HydrophobicContact CG2-CB 4.04Å; I84-L287 HydrophobicContact CG2-CD1 4.22Å; L88-L287 HydrophobicContact CD2-CD1 3.92Å; D158-L287 PolarHBondContact O-N 2.92Å; L160-L287 HydrophobicContact CB-CD1 3.94Å; L160-L287 HydrophobicContact CB-CD2 4.45Å; L160-L287 HydrophobicContact CB-CG 4.08Å; L160-L287 HydrophobicContact CD2-CD1 4.3Å; L160-L287 HydrophobicContact CD2-CD2 4.5Å; R285-L287 HydrophobicContact CB-CD2 4.35Å; L287-K289 PolarHBondContact O-N 3.24Å; L287-D290 WeakPolarHBondContact O-CB 2.96Å; L287-D290 PolarHBondContact O-N 2.93Å
288	E	94	Very high	93.9	Very high	13 Å²	13	65.1 Å²	65.1	6%	0.061	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-53.5	-42.6	-178.4	171.2	-177.1	168.1	0	0	111.6	D158 N286 D290 A291 R296 G297 W299 H300	D158-E288 HydrophobicContact CB-CB 4.25Å; N286-E288 WeakPolarHBondContact OD1-CB 3.34Å; N286-E288 PolarHBondContact OD1-N 3.34Å; E288-D290 PolarHBondContact O-N 2.72Å; E288-A291 WeakPolarHBondContact O-CB 3.41Å; E288-A291 PolarHBondContact O-N 3.31Å; E288-R296 WeakPolarHBondContact OE1-CA 3.32Å; E288-G297 VanDerWaalsContact CD-N 3.28Å; E288-G297 PolarHBondContact OE1-N 2.87Å; E288-W299 PolarHBondContact OE2-NE1 2.9Å; E288-H300 IonicContact OE1-CD2 2.74Å; E288-H300 PolarHBondContact OE1-CD2 3.23Å; E288-H300 IonicContact OE1-CE1 3.98Å; E288-H300 IonicContact OE1-NE2 3.96Å; E288-H300 PolarHBondContact OE1-NE2 3.36Å; E288-H300 IonicContact OE2-CD2 3.19Å; E288-H300 IonicContact OE2-NE2 3.73Å; E288-H300 PolarHBondContact OE2-NE2 2.86Å
289	K	93.1	Very high	93.6	Very high	198 Å²	198	70.7 Å²	70.7	86%	0.861	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-69.9	-16	-177.6	-64.8	-178.2	-179	176.5	0	113.4	L287 A291	L287-K289 PolarHBondContact O-N 3.24Å; K289-A291 VanDerWaalsContact C-N 3.33Å
290	D	92.6	Very high	93.3	Very high	91 Å²	91	74.6 Å²	74.6	49%	0.487	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-87.7	-7.9	-178.8	-60.5	-13.7	0	0	0	111.8	I84 L287 E288 G292	I84-D290 HydrophobicContact CD1-CB 3.79Å; L287-D290 WeakPolarHBondContact O-CB 2.96Å; L287-D290 PolarHBondContact O-N 2.93Å; E288-D290 PolarHBondContact O-N 2.72Å; D290-G292 PolarHBondContact O-N 3.4Å
291	A	91.6	Very high	93	Very high	12 Å²	12	74 Å²	74	10%	0.099	38%	0.38	C	S	.	.			trans	-69.3	120.1	-175.7	0	0	0	0	0	111.5	R81 I84 E288 K289 S293 G294	R81-A291 HydrophobicContact CG-CB 4.17Å; I84-A291 HydrophobicContact CG1-CB 3.8Å; E288-A291 WeakPolarHBondContact O-CB 3.41Å; E288-A291 PolarHBondContact O-N 3.31Å; K289-A291 VanDerWaalsContact C-N 3.33Å; A291-S293 PolarHBondContact O-N 3.43Å; A291-G294 PolarHBondContact O-N 3.13Å
292	G	90.1	Very high	92.8	Very high	68 Å²	68	78.5 Å²	78.5	70%	0.701	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.3	-178.6	0	0	0	0	0	114.6	D83 D290 G294	D83-G292 PolarHBondContact OD2-N 3.12Å; D290-G292 PolarHBondContact O-N 3.4Å; G292-G294 VanDerWaalsContact C-N 3.28Å; G292-G294 PolarHBondContact O-N 3.31Å
293	S	90.2	Very high	92.6	Very high	61 Å²	61	79.3 Å²	79.3	43%	0.427	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.5	177.7	64.7	0	0	0	0	114.1	N80 A291 Y295	N80-S293 WeakPolarHBondContact O-CB 3.43Å; N80-S293 PolarHBondContact O-OG 3.12Å; A291-S293 PolarHBondContact O-N 3.43Å; S293-Y295 PolarHBondContact O-N 2.84Å; S293-Y295 WeakPolarHBondContact OG-CB 2.96Å; S293-Y295 PolarHBondContact OG-N 2.56Å; S293-Y295 VanDerWaalsContact OG-N 3.13Å
294	G	86.9	Confident	92.5	Very high	62 Å²	62	77.7 Å²	77.7	64%	0.639	40%	0.398	S	S	*	.			trans	72	4.1	-170	0	0	0	0	0	114.5	A291 G292 R296	A291-G294 PolarHBondContact O-N 3.13Å; G292-G294 VanDerWaalsContact C-N 3.28Å; G292-G294 PolarHBondContact O-N 3.31Å; G294-R296 PolarHBondContact O-N 3.4Å
295	Y	88	Confident	92.5	Very high	57 Å²	57	79.7 Å²	79.7	22%	0.224	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.9	120.2	177.2	-178.5	-98	0	0	0	111	Y79 N80 R81 S293	Y79-Y295 HydrophobicContact CD1-CD2 4.49Å; Y79-Y295 HydrophobicContact CD1-CE1 4.22Å; Y79-Y295 AromaticContact CD1-CE2 3.9Å; Y79-Y295 HydrophobicContact CD1-CE2 3.9Å; Y79-Y295 AromaticContact CD1-CZ 3.75Å; Y79-Y295 HydrophobicContact CE1-CD2 4.29Å; Y79-Y295 AromaticContact CE1-CE2 3.68Å; Y79-Y295 HydrophobicContact CE1-CE2 3.68Å; Y79-Y295 AromaticContact CE1-CZ 3.98Å; N80-Y295 HydrophobicContact CB-CD1 4.48Å; N80-Y295 HydrophobicContact CB-CD2 4.16Å; N80-Y295 HydrophobicContact CB-CG 3.91Å; R81-Y295 HydrophobicContact CG-CD1 4.5Å; S293-Y295 PolarHBondContact O-N 2.84Å; S293-Y295 WeakPolarHBondContact OG-CB 2.96Å; S293-Y295 PolarHBondContact OG-N 2.56Å; S293-Y295 VanDerWaalsContact OG-N 3.13Å
296	R	89	Confident	92.4	Very high	184 Å²	184	80.1 Å²	80.1	69%	0.694	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-86.4	143	175.2	-63.2	-173.1	-176.2	-176	1.3	111	E288 G294	E288-R296 WeakPolarHBondContact OE1-CA 3.32Å; G294-R296 PolarHBondContact O-N 3.4Å
297	G	87.4	Confident	92.4	Very high	5 Å²	5	78.4 Å²	78.4	5%	0.052	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-59.9	151.7	178.1	0	0	0	0	0	112.1	E288 W299 H300	E288-G297 VanDerWaalsContact CD-N 3.28Å; E288-G297 PolarHBondContact OE1-N 2.87Å; G297-W299 PolarHBondContact O-N 3.36Å; G297-W299 VanDerWaalsContact O-N 3.09Å; G297-H300 PolarHBondContact O-CD2 2.83Å; G297-H300 PolarHBondContact O-N 2.77Å
298	M	90.3	Very high	92.5	Very high	38 Å²	38	78.2 Å²	78.2	19%	0.187	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-64.5	-20	-173	-64	-142	-61.2	0	0	114.2	M137 Q247 H300 R301 H304	M137-M298 HydrophobicContact CE-CE 4.14Å; M137-M298 HydrophobicContact CG-CE 3.76Å; M137-M298 HydrophobicContact SD-CE 3.44Å; M137-M298 WeakPolarHBondContact SD-CE 3.5Å; Q247-M298 WeakPolarHBondContact O-CE 3.37Å; M298-H300 PolarHBondContact O-N 3.11Å; M298-R301 WeakPolarHBondContact O-CB 3.36Å; M298-R301 WeakPolarHBondContact O-CG 3.08Å; M298-R301 PolarHBondContact O-N 3.23Å; M298-R301 PolarHBondContact SD-NH2 2.91Å; M298-H304 PolarHBondContact O-ND1 2.98Å
299	W	91.4	Very high	92.7	Very high	147 Å²	147	78.5 Å²	78.5	56%	0.557	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-69.2	-17.1	180	71.3	-91.1	0	0	0	113.8	E288 G297 R301	E288-W299 PolarHBondContact OE2-NE1 2.9Å; G297-W299 PolarHBondContact O-N 3.36Å; G297-W299 VanDerWaalsContact O-N 3.09Å; W299-R301 VanDerWaalsContact C-N 3.26Å; W299-R301 PolarHBondContact O-N 3.2Å
300	H	93.2	Very high	93	Very high	82 Å²	82	74.4 Å²	74.4	38%	0.38	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-75.2	-12.3	174.4	-67.3	-83.5	0	0	0	113.8	E288 G297 M298	E288-H300 IonicContact OE1-CD2 2.74Å; E288-H300 PolarHBondContact OE1-CD2 3.23Å; E288-H300 IonicContact OE1-CE1 3.98Å; E288-H300 IonicContact OE1-NE2 3.96Å; E288-H300 PolarHBondContact OE1-NE2 3.36Å; E288-H300 IonicContact OE2-CD2 3.19Å; E288-H300 IonicContact OE2-NE2 3.73Å; E288-H300 PolarHBondContact OE2-NE2 2.86Å; G297-H300 PolarHBondContact O-CD2 2.83Å; G297-H300 PolarHBondContact O-N 2.77Å; M298-H300 PolarHBondContact O-N 3.11Å
301	R	93.1	Very high	93.3	Very high	100 Å²	100	70.1 Å²	70.1	38%	0.377	37%	0.367	S	S	.	.	S	Bend	trans	-67.2	131.2	177.3	-63.8	-176.5	-171.1	165.4	5.9	109.4	M298 W299 E303 H304	M298-R301 WeakPolarHBondContact O-CB 3.36Å; M298-R301 WeakPolarHBondContact O-CG 3.08Å; M298-R301 PolarHBondContact O-N 3.23Å; M298-R301 PolarHBondContact SD-NH2 2.91Å; W299-R301 VanDerWaalsContact C-N 3.26Å; W299-R301 PolarHBondContact O-N 3.2Å; R301-E303 HydrophobicContact CB-CG 4.49Å; R301-E303 PolarHBondContact O-N 2.85Å; R301-E303 VanDerWaalsContact O-N 3.11Å; R301-H304 HydrophobicContact CB-CB 4.42Å; R301-H304 VanDerWaalsContact O-CB 3.23Å; R301-H304 WeakPolarHBondContact O-CB 3.38Å; R301-H304 PolarHBondContact O-N 3Å
302	P	92.2	Very high	93.6	Very high	129 Å²	129	69.5 Å²	69.5	84%	0.838	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-36.3	-177.9	-27.3	34.1	0	0	0	113.7	H304	P302-H304 VanDerWaalsContact C-N 3.32Å; P302-H304 PolarHBondContact O-N 2.73Å
303	E	94.3	Very high	94	Very high	83 Å²	83	67.9 Å²	67.9	39%	0.388	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.5	-179.3	66.5	-85.4	-164	0	0	114	R301 L305 L306 Q307	R301-E303 HydrophobicContact CB-CG 4.49Å; R301-E303 PolarHBondContact O-N 2.85Å; R301-E303 VanDerWaalsContact O-N 3.11Å; E303-L305 PolarHBondContact O-N 3.19Å; E303-L306 PolarHBondContact O-N 3.43Å; E303-Q307 HydrophobicContact CB-CG 4.2Å; E303-Q307 HydrophobicContact CG-CG 4.17Å; E303-Q307 WeakPolarHBondContact O-CB 3.36Å; E303-Q307 VanDerWaalsContact O-CG 3.3Å; E303-Q307 WeakPolarHBondContact O-CG 3.3Å; E303-Q307 PolarHBondContact O-N 3.4Å
304	H	96.1	Very high	94.4	Very high	20 Å²	20	69.4 Å²	69.4	9%	0.093	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-50.7	-168.1	-178.4	86.2	0	0	0	113.9	N248 M298 R301 P302 R308	N248-H304 PolarHBondContact ND2-CE1 3.24Å; N248-H304 PolarHBondContact ND2-ND1 3.2Å; N248-H304 VanDerWaalsContact ND2-ND1 3.18Å; M298-H304 PolarHBondContact O-ND1 2.98Å; R301-H304 HydrophobicContact CB-CB 4.42Å; R301-H304 VanDerWaalsContact O-CB 3.23Å; R301-H304 WeakPolarHBondContact O-CB 3.38Å; R301-H304 PolarHBondContact O-N 3Å; P302-H304 VanDerWaalsContact C-N 3.32Å; P302-H304 PolarHBondContact O-N 2.73Å; H304-R308 PolarHBondContact NE2-NE 3.31Å; H304-R308 WeakPolarHBondContact O-CG 3.38Å; H304-R308 PolarHBondContact O-N 2.93Å; H304-R308 VanDerWaalsContact O-N 3.16Å
305	L	96.6	Very high	95	Very high	101 Å²	101	66.5 Å²	66.5	53%	0.529	30%	0.304	S	S	.	.	H	α-helix	trans	-72.7	-33.3	179.9	-66.4	177.5	0	0	0	112.1	Y198 E303 R308 S309	Y198-L305 HydrophobicContact CD1-CD2 4.1Å; Y198-L305 HydrophobicContact CE1-CD2 3.93Å; E303-L305 PolarHBondContact O-N 3.19Å; L305-R308 PolarHBondContact O-N 2.81Å; L305-S309 PolarHBondContact O-N 2.82Å; L305-S309 VanDerWaalsContact O-N 3.12Å; L305-S309 PolarHBondContact O-OG 3.24Å
306	L	96.6	Very high	95.5	Very high	131 Å²	131	64.8 Å²	64.8	69%	0.686	30%	0.299	S	S	*	.	H	α-helix	trans	-66.3	-43.8	175.6	-176.1	63.6	0	0	0	111	E303 R308 S309 Y310	E303-L306 PolarHBondContact O-N 3.43Å; L306-R308 VanDerWaalsContact C-N 3.31Å; L306-R308 PolarHBondContact O-N 2.75Å; L306-S309 WeakPolarHBondContact O-CB 3.3Å; L306-S309 PolarHBondContact O-N 2.88Å; L306-Y310 PolarHBondContact O-N 3.45Å
307	Q	98.1	Very high	95.9	Very high	45 Å²	45	62 Å²	62	21%	0.21	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-41.5	173.8	-78.4	-179.4	-32.6	0	0	111.5	N248 E303 S309 Y310 C311	N248-Q307 PolarHBondContact ND2-OE1 3.45Å; E303-Q307 HydrophobicContact CB-CG 4.2Å; E303-Q307 HydrophobicContact CG-CG 4.17Å; E303-Q307 WeakPolarHBondContact O-CB 3.36Å; E303-Q307 VanDerWaalsContact O-CG 3.3Å; E303-Q307 WeakPolarHBondContact O-CG 3.3Å; E303-Q307 PolarHBondContact O-N 3.4Å; Q307-S309 VanDerWaalsContact C-N 3.34Å; Q307-S309 PolarHBondContact O-N 3.19Å; Q307-Y310 CarbonylContact O-C 3.56Å; Q307-Y310 WeakPolarHBondContact O-CB 3.42Å; Q307-Y310 PolarHBondContact O-N 3.12Å; Q307-C311 PolarHBondContact O-N 3.42Å; Q307-C311 PolarHBondContact O-SG 3.34Å
308	R	98.6	Very high	96.4	Very high	15 Å²	15	63.7 Å²	63.7	6%	0.057	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-37.9	176.1	-74	-168.4	168.3	-129.4	-9.4	113.1	Y198 N248 D251 I252 H304 L305 L306 C311 L312	Y198-R308 HydrophobicContact CD1-CB 3.66Å; Y198-R308 HydrophobicContact CD1-CG 4.42Å; Y198-R308 HydrophobicContact CD2-CB 4.01Å; Y198-R308 HydrophobicContact CE1-CB 4.16Å; Y198-R308 VanDerWaalsContact CE1-CD 3.47Å; Y198-R308 HydrophobicContact CE1-CG 4.45Å; Y198-R308 HydrophobicContact CE2-CB 4.47Å; Y198-R308 HydrophobicContact CG-CB 3.57Å; Y198-R308 VanDerWaalsContact CZ-CD 3.49Å; Y198-R308 PolarHBondContact OH-NH1 3.4Å; N248-R308 PolarHBondContact OD1-NE 3.39Å; N248-R308 VanDerWaalsContact OD1-NE 3.12Å; N248-R308 PolarHBondContact OD1-NH2 2.72Å; D251-R308 VanDerWaalsContact CG-NH2 3.26Å; D251-R308 IonicContact OD1-CZ 3.19Å; D251-R308 IonicContact OD1-NH1 2.85Å; D251-R308 PolarHBondContact OD1-NH1 3.44Å; D251-R308 IonicContact OD1-NH2 2.72Å; D251-R308 PolarHBondContact OD1-NH2 3.37Å; D251-R308 VanDerWaalsContact OD1-NH2 3.11Å; D251-R308 IonicContact OD2-CZ 2.98Å; D251-R308 IonicContact OD2-NH1 3.77Å; D251-R308 PolarHBondContact OD2-NH1 3.15Å; D251-R308 IonicContact OD2-NH2 3.51Å; D251-R308 PolarHBondContact OD2-NH2 3.48Å; I252-R308 HydrophobicContact CD1-CB 3.83Å; I252-R308 HydrophobicContact CD1-CG 3.94Å; H304-R308 PolarHBondContact NE2-NE 3.31Å; H304-R308 WeakPolarHBondContact O-CG 3.38Å; H304-R308 PolarHBondContact O-N 2.93Å; H304-R308 VanDerWaalsContact O-N 3.16Å; L305-R308 PolarHBondContact O-N 2.81Å; L306-R308 VanDerWaalsContact C-N 3.31Å; L306-R308 PolarHBondContact O-N 2.75Å; R308-C311 PolarHBondContact O-N 3.16Å; R308-L312 PolarHBondContact O-N 3.24Å; R308-L312 VanDerWaalsContact O-N 3.12Å
309	S	98.1	Very high	96.8	Very high	20 Å²	20	63.8 Å²	63.8	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-65.9	-41.8	172	-57.7	0	0	0	0	111.4	Y198 L305 L306 Q307 C311 L312 N313	Y198-S309 PolarHBondContact N-OG 3.24Å; L305-S309 PolarHBondContact O-N 2.82Å; L305-S309 VanDerWaalsContact O-N 3.12Å; L305-S309 PolarHBondContact O-OG 3.24Å; L306-S309 WeakPolarHBondContact O-CB 3.3Å; L306-S309 PolarHBondContact O-N 2.88Å; Q307-S309 VanDerWaalsContact C-N 3.34Å; Q307-S309 PolarHBondContact O-N 3.19Å; S309-C311 VanDerWaalsContact C-N 3.33Å; S309-C311 PolarHBondContact O-N 3.23Å; S309-L312 PolarHBondContact O-N 3.31Å; S309-N313 PolarHBondContact O-N 3.3Å; S309-N313 PolarHBondContact O-ND2 3.31Å
310	Y	98.4	Very high	97.1	Very high	112 Å²	112	59.8 Å²	59.8	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-56.7	-45.9	172.2	165.6	-102.4	0	0	0	111.8	L242 T246 L306 Q307 L312 N313 R314	L242-Y310 HydrophobicContact CD1-CD1 4.2Å; L242-Y310 HydrophobicContact CD1-CE1 3.51Å; T246-Y310 HydrophobicContact CG2-CD1 4.31Å; T246-Y310 HydrophobicContact CG2-CE1 4.18Å; L306-Y310 PolarHBondContact O-N 3.45Å; Q307-Y310 CarbonylContact O-C 3.56Å; Q307-Y310 WeakPolarHBondContact O-CB 3.42Å; Q307-Y310 PolarHBondContact O-N 3.12Å; Y310-L312 PolarHBondContact O-N 3.18Å; Y310-N313 PolarHBondContact O-N 3.37Å; Y310-R314 WeakPolarHBondContact O-CB 3.41Å; Y310-R314 PolarHBondContact O-N 2.85Å
311	C	98.8	Very high	97.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-42	178.2	-66	0	0	0	0	112.9	L242 C249 I252 Q307 R308 S309 N313 R314 L315	L242-C311 HydrophobicContact CD2-CB 4.46Å; C249-C311 HydrophobicContact CB-CB 3.45Å; C249-C311 VanDerWaalsContact CB-CB 3.45Å; C249-C311 WeakPolarHBondContact CB-SG 3.37Å; C249-C311 WeakPolarHBondContact SG-CB 3.01Å; C249-C311 CovalentContact SG-SG 2.02Å; C249-C311 PolarHBondContact SG-SG 3.18Å; I252-C311 HydrophobicContact CD1-CB 4.35Å; Q307-C311 PolarHBondContact O-N 3.42Å; Q307-C311 PolarHBondContact O-SG 3.34Å; R308-C311 PolarHBondContact O-N 3.16Å; S309-C311 VanDerWaalsContact C-N 3.33Å; S309-C311 PolarHBondContact O-N 3.23Å; C311-N313 VanDerWaalsContact C-N 3.32Å; C311-N313 PolarHBondContact O-N 3.49Å; C311-R314 PolarHBondContact O-N 2.94Å; C311-L315 VanDerWaalsContact O-CB 3.32Å; C311-L315 WeakPolarHBondContact O-CB 3.22Å; C311-L315 VanDerWaalsContact O-CG 3.22Å; C311-L315 WeakPolarHBondContact O-CG 3.07Å; C311-L315 PolarHBondContact O-N 2.9Å
312	L	98.6	Very high	97.4	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.3	-47.3	175.6	-74	174.2	0	0	0	111.8	H188 Y198 M216 I252 F256 R308 S309 Y310 T316 L324	H188-L312 HydrophobicContact CB-CD1 3.71Å; H188-L312 HydrophobicContact CB-CD2 4.3Å; Y198-L312 HydrophobicContact CD2-CD1 4.35Å; M216-L312 HydrophobicContact CE-CD2 4.15Å; M216-L312 HydrophobicContact SD-CD2 4.19Å; I252-L312 HydrophobicContact CG2-CD2 3.66Å; I252-L312 HydrophobicContact CG2-CG 4.4Å; F256-L312 HydrophobicContact CE2-CD2 3.79Å; F256-L312 HydrophobicContact CZ-CD2 4.27Å; R308-L312 PolarHBondContact O-N 3.24Å; R308-L312 VanDerWaalsContact O-N 3.12Å; S309-L312 PolarHBondContact O-N 3.31Å; Y310-L312 PolarHBondContact O-N 3.18Å; L312-T316 WeakPolarHBondContact O-CB 3.32Å; L312-T316 PolarHBondContact O-N 3.33Å; L312-T316 PolarHBondContact O-OG1 3.03Å; L312-L324 HydrophobicContact CD2-CD1 4.09Å
313	N	98.6	Very high	97.6	Very high	33 Å²	33	50.2 Å²	50.2	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-42.3	179.7	-68.5	-77.5	0	0	0	111.4	Y196 S309 Y310 C311 T316 Q317	Y196-N313 PolarHBondContact N-OD1 3.44Å; Y196-N313 PolarHBondContact O-ND2 3.31Å; S309-N313 PolarHBondContact O-N 3.3Å; S309-N313 PolarHBondContact O-ND2 3.31Å; Y310-N313 PolarHBondContact O-N 3.37Å; C311-N313 VanDerWaalsContact C-N 3.32Å; C311-N313 PolarHBondContact O-N 3.49Å; N313-T316 PolarHBondContact O-N 2.75Å; N313-Q317 WeakPolarHBondContact O-CG 3.47Å; N313-Q317 PolarHBondContact O-N 2.78Å
314	R	98.7	Very high	97.8	Very high	94 Å²	94	46.7 Å²	46.7	36%	0.355	24%	0.237	S	C	.	.	H	α-helix	trans	-65.5	-42	179.9	-171.6	60.7	-179.3	152.9	2	112	L242 Y310 C311 Q317 I318	L242-R314 HydrophobicContact CD1-CB 4.19Å; L242-R314 HydrophobicContact CD1-CG 3.92Å; L242-R314 HydrophobicContact CD2-CB 3.89Å; L242-R314 HydrophobicContact CD2-CG 3.83Å; L242-R314 HydrophobicContact CG-CG 4.41Å; Y310-R314 WeakPolarHBondContact O-CB 3.41Å; Y310-R314 PolarHBondContact O-N 2.85Å; C311-R314 PolarHBondContact O-N 2.94Å; R314-Q317 WeakPolarHBondContact O-CB 3.48Å; R314-Q317 PolarHBondContact O-N 2.72Å; R314-I318 HydrophobicContact CG-CD1 4.14Å; R314-I318 VanDerWaalsContact O-CG1 3.3Å; R314-I318 WeakPolarHBondContact O-CG1 3.33Å; R314-I318 PolarHBondContact O-N 3.27Å
315	L	98.8	Very high	97.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-41.9	174.2	-69.7	167.4	0	0	0	111.3	V239 L242 I252 A253 F256 C311 Q317 I318 Y319	V239-L315 HydrophobicContact CG1-CD2 3.97Å; V239-L315 HydrophobicContact CG2-CD2 4.15Å; L242-L315 HydrophobicContact CD2-CD2 3.88Å; L242-L315 HydrophobicContact CD2-CG 3.79Å; I252-L315 HydrophobicContact CB-CD1 4.34Å; I252-L315 HydrophobicContact CG2-CD1 3.61Å; A253-L315 HydrophobicContact CB-CD1 4.42Å; A253-L315 HydrophobicContact CB-CD2 4.46Å; F256-L315 HydrophobicContact CD1-CB 3.79Å; F256-L315 HydrophobicContact CD2-CD1 4.09Å; F256-L315 HydrophobicContact CE1-CB 3.55Å; F256-L315 HydrophobicContact CE2-CB 4.44Å; F256-L315 HydrophobicContact CE2-CD1 4.25Å; F256-L315 HydrophobicContact CG-CB 4.33Å; F256-L315 HydrophobicContact CG-CD1 4.23Å; F256-L315 HydrophobicContact CZ-CB 3.91Å; C311-L315 VanDerWaalsContact O-CB 3.32Å; C311-L315 WeakPolarHBondContact O-CB 3.22Å; C311-L315 VanDerWaalsContact O-CG 3.22Å; C311-L315 WeakPolarHBondContact O-CG 3.07Å; C311-L315 PolarHBondContact O-N 2.9Å; L315-Q317 VanDerWaalsContact C-N 3.27Å; L315-Q317 PolarHBondContact O-N 3.21Å; L315-I318 PolarHBondContact O-N 3.09Å; L315-I318 VanDerWaalsContact O-N 3.16Å; L315-Y319 HydrophobicContact CB-CD2 4.33Å; L315-Y319 HydrophobicContact CB-CE2 4.32Å; L315-Y319 HydrophobicContact CD2-CE2 3.94Å; L315-Y319 WeakPolarHBondContact O-CD2 3.46Å; L315-Y319 PolarHBondContact O-N 3.29Å
316	T	98.2	Very high	97.6	Very high	20 Å²	20	45.3 Å²	45.3	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-39.3	174.7	-55.7	0	0	0	0	111.3	Y196 L312 N313 G320 F321 M322	Y196-T316 HydrophobicContact CD2-CG2 4.4Å; Y196-T316 HydrophobicContact CE2-CG2 3.7Å; L312-T316 WeakPolarHBondContact O-CB 3.32Å; L312-T316 PolarHBondContact O-N 3.33Å; L312-T316 PolarHBondContact O-OG1 3.03Å; N313-T316 PolarHBondContact O-N 2.75Å; T316-G320 CarbonylContact O-C 3.52Å; T316-G320 VanDerWaalsContact O-CA 3.29Å; T316-G320 WeakPolarHBondContact O-CA 3.33Å; T316-G320 PolarHBondContact O-N 3.4Å; T316-F321 VanDerWaalsContact CG2-C 3.47Å; T316-F321 PolarHBondContact O-N 3.33Å; T316-M322 HydrophobicContact CG2-CB 4.5Å; T316-M322 WeakPolarHBondContact OG1-CE 3.3Å
317	Q	98.2	Very high	97.5	Very high	126 Å²	126	39.8 Å²	39.8	59%	0.589	20%	0.2	S	C	*	.	H	α-helix	trans	-65.5	-44.2	173.8	-69.2	169.3	5.5	0	0	112.3	N313 R314 L315 G320	N313-Q317 WeakPolarHBondContact O-CG 3.47Å; N313-Q317 PolarHBondContact O-N 2.78Å; R314-Q317 WeakPolarHBondContact O-CB 3.48Å; R314-Q317 PolarHBondContact O-N 2.72Å; L315-Q317 VanDerWaalsContact C-N 3.27Å; L315-Q317 PolarHBondContact O-N 3.21Å; Q317-G320 PolarHBondContact O-N 3Å
318	I	98.4	Very high	97.3	Very high	41 Å²	41	43.3 Å²	43.3	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-44.1	179.6	-69.1	163	0	0	0	111	P236 E238 V239 L242 R314 L315	P236-I318 HydrophobicContact CB-CG2 4.29Å; P236-I318 HydrophobicContact CG-CG2 4.33Å; E238-I318 HydrophobicContact CB-CD1 3.77Å; E238-I318 HydrophobicContact CB-CG1 3.99Å; E238-I318 HydrophobicContact CB-CG2 4.38Å; V239-I318 HydrophobicContact CG2-CD1 4.36Å; V239-I318 HydrophobicContact CG2-CG2 3.93Å; L242-I318 HydrophobicContact CD2-CD1 4.5Å; R314-I318 HydrophobicContact CG-CD1 4.14Å; R314-I318 VanDerWaalsContact O-CG1 3.3Å; R314-I318 WeakPolarHBondContact O-CG1 3.33Å; R314-I318 PolarHBondContact O-N 3.27Å; L315-I318 PolarHBondContact O-N 3.09Å; L315-I318 VanDerWaalsContact O-N 3.16Å
319	Y	97.9	Very high	97.2	Very high	40 Å²	40	46.2 Å²	46.2	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-90.3	-9.8	-178.1	-62.7	-65.7	0	0	0	114.3	Q235 P236 V239 F256 L260 L315 F321	Q235-Y319 PolarHBondContact OE1-OH 2.79Å; P236-Y319 HydrophobicContact CG-CE1 4.29Å; V239-Y319 HydrophobicContact CG2-CE1 4.46Å; V239-Y319 HydrophobicContact CG2-CE2 4.28Å; V239-Y319 WeakPolarHBondContact CG2-OH 3.49Å; F256-Y319 HydrophobicContact CB-CE2 4.05Å; F256-Y319 AromaticContact CD1-CD2 3.6Å; F256-Y319 HydrophobicContact CD1-CD2 3.6Å; F256-Y319 AromaticContact CD1-CE2 3.78Å; F256-Y319 HydrophobicContact CD1-CE2 3.78Å; F256-Y319 HydrophobicContact CE1-CD2 4.26Å; F256-Y319 HydrophobicContact CG-CE2 4.34Å; L260-Y319 HydrophobicContact CD1-CD1 3.51Å; L260-Y319 HydrophobicContact CD1-CD2 4.23Å; L260-Y319 HydrophobicContact CD1-CE1 3.53Å; L260-Y319 HydrophobicContact CD1-CE2 4.24Å; L260-Y319 HydrophobicContact CD1-CG 3.88Å; L315-Y319 HydrophobicContact CB-CD2 4.33Å; L315-Y319 HydrophobicContact CB-CE2 4.32Å; L315-Y319 HydrophobicContact CD2-CE2 3.94Å; L315-Y319 WeakPolarHBondContact O-CD2 3.46Å; L315-Y319 PolarHBondContact O-N 3.29Å; Y319-F321 VanDerWaalsContact C-N 3.31Å; Y319-F321 WeakPolarHBondContact O-CD1 3.23Å; Y319-F321 PolarHBondContact O-N 2.99Å
320	G	97.7	Very high	97.2	Very high	63 Å²	63	50 Å²	50	65%	0.649	25%	0.254	S	S	*	.	S	Bend	trans	81	-3.7	179.6	0	0	0	0	0	115.9	T316 Q317	T316-G320 CarbonylContact O-C 3.52Å; T316-G320 VanDerWaalsContact O-CA 3.29Å; T316-G320 WeakPolarHBondContact O-CA 3.33Å; T316-G320 PolarHBondContact O-N 3.4Å; Q317-G320 PolarHBondContact O-N 3Å
321	F	96	Very high	97.1	Very high	72 Å²	72	46 Å²	46	32%	0.316	24%	0.241	S	C	.	.	S	Bend	trans	-162.5	171	176.5	68.6	-79.9	0	0	0	111.5	L260 T316 Y319 P323	L260-F321 HydrophobicContact CD2-CE1 4.08Å; L260-F321 HydrophobicContact CD2-CE2 4.22Å; L260-F321 HydrophobicContact CD2-CZ 3.44Å; L260-F321 VanDerWaalsContact CD2-CZ 3.44Å; T316-F321 VanDerWaalsContact CG2-C 3.47Å; T316-F321 PolarHBondContact O-N 3.33Å; Y319-F321 VanDerWaalsContact C-N 3.31Å; Y319-F321 WeakPolarHBondContact O-CD1 3.23Å; Y319-F321 PolarHBondContact O-N 2.99Å; F321-P323 HydrophobicContact CD2-CB 4.37Å; F321-P323 HydrophobicContact CE2-CB 3.66Å; F321-P323 HydrophobicContact CZ-CB 4.21Å; F321-P323 VanDerWaalsContact O-CD 3.27Å; F321-P323 WeakPolarHBondContact O-CD 3.27Å
322	M	96.9	Very high	97.1	Very high	29 Å²	29	48.7 Å²	48.7	14%	0.143	26%	0.26	C	S	.	.			trans	-87.1	108.8	172.2	176.9	56.8	72.1	0	0	110.5	Y196 F256 T316 L324	Y196-M322 HydrophobicContact CD1-CE 3.66Å; Y196-M322 HydrophobicContact CD2-CE 3.49Å; Y196-M322 VanDerWaalsContact CD2-CE 3.49Å; Y196-M322 HydrophobicContact CE1-CB 4.25Å; Y196-M322 HydrophobicContact CE1-CE 3.83Å; Y196-M322 HydrophobicContact CE1-CG 4.2Å; Y196-M322 HydrophobicContact CE2-CB 4.16Å; Y196-M322 HydrophobicContact CE2-CE 3.68Å; Y196-M322 HydrophobicContact CG-CE 3.47Å; Y196-M322 VanDerWaalsContact CG-CE 3.47Å; Y196-M322 WeakPolarHBondContact OH-CB 3.45Å; F256-M322 HydrophobicContact CE1-SD 4.32Å; F256-M322 HydrophobicContact CE2-SD 4.18Å; F256-M322 HydrophobicContact CZ-CE 3.94Å; F256-M322 HydrophobicContact CZ-SD 3.62Å; T316-M322 HydrophobicContact CG2-CB 4.5Å; T316-M322 WeakPolarHBondContact OG1-CE 3.3Å; M322-L324 HydrophobicContact SD-CB 3.79Å; M322-L324 HydrophobicContact SD-CD1 4.01Å; M322-L324 HydrophobicContact SD-CG 3.85Å
323	P	96.9	Very high	97	Very high	8 Å²	8	52 Å²	52	5%	0.052	28%	0.275	C	S	.	.			trans	-86	-15.6	-179.7	35.4	-35.4	0	0	0	113.5	F256 A259 L260 F321 C325	F256-P323 HydrophobicContact CB-CG 4.28Å; F256-P323 VanDerWaalsContact CD1-CD 3.46Å; F256-P323 HydrophobicContact CD1-CG 3.34Å; F256-P323 HydrophobicContact CE1-CG 3.76Å; F256-P323 HydrophobicContact CG-CG 3.83Å; A259-P323 HydrophobicContact CB-CB 4.07Å; A259-P323 HydrophobicContact CB-CG 4.47Å; A259-P323 WeakPolarHBondContact CB-O 3.25Å; L260-P323 HydrophobicContact CD2-CB 3.74Å; L260-P323 HydrophobicContact CD2-CG 4.29Å; L260-P323 HydrophobicContact CG-CB 3.94Å; L260-P323 HydrophobicContact CG-CG 4.17Å; F321-P323 HydrophobicContact CD2-CB 4.37Å; F321-P323 HydrophobicContact CE2-CB 3.66Å; F321-P323 HydrophobicContact CZ-CB 4.21Å; F321-P323 VanDerWaalsContact O-CD 3.27Å; F321-P323 WeakPolarHBondContact O-CD 3.27Å; P323-C325 PolarHBondContact O-N 2.99Å; P323-C325 PolarHBondContact O-SG 3.09Å; P323-C325 VanDerWaalsContact O-SG 3.34Å
324	L	97.3	Very high	96.9	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.052	30%	0.299	C	S	.	.			trans	-67.6	134.2	-176.3	-61.6	-179.5	0	0	0	110.9	M216 N255 F256 A259 L312 M322	M216-L324 HydrophobicContact CE-CD1 4.15Å; M216-L324 HydrophobicContact CG-CD1 3.55Å; M216-L324 HydrophobicContact CG-CD2 4.15Å; M216-L324 HydrophobicContact CG-CG 4.48Å; M216-L324 HydrophobicContact SD-CD1 3.63Å; N255-L324 HydrophobicContact CB-CD2 3.97Å; F256-L324 HydrophobicContact CD2-CD1 3.9Å; F256-L324 HydrophobicContact CD2-CD2 3.82Å; F256-L324 HydrophobicContact CD2-CG 3.78Å; F256-L324 HydrophobicContact CE2-CD1 3.42Å; F256-L324 VanDerWaalsContact CE2-CD1 3.42Å; F256-L324 HydrophobicContact CE2-CD2 4.17Å; F256-L324 HydrophobicContact CE2-CG 3.6Å; F256-L324 HydrophobicContact CZ-CD1 4.29Å; F256-L324 HydrophobicContact CZ-CG 4.3Å; A259-L324 HydrophobicContact CB-CD2 4.32Å; L312-L324 HydrophobicContact CD2-CD1 4.09Å; M322-L324 HydrophobicContact SD-CB 3.79Å; M322-L324 HydrophobicContact SD-CD1 4.01Å; M322-L324 HydrophobicContact SD-CG 3.85Å
325	C	95.1	Very high	96.7	Very high	26 Å²	26	54.5 Å²	54.5	18%	0.176	29%	0.294	C	S	.	.			trans	-115	138.1	-179.6	-59.7	0	0	0	0	109.3	H272 P323	H272-C325 HydrophobicContact CB-CB 4.33Å; H272-C325 VanDerWaalsContact CB-SG 3.52Å; P323-C325 PolarHBondContact O-N 2.99Å; P323-C325 PolarHBondContact O-SG 3.09Å; P323-C325 VanDerWaalsContact O-SG 3.34Å
326	Y	94.8	Very high	96.4	Very high	65 Å²	65	57.5 Å²	57.5	26%	0.255	31%	0.307	S	S	.	.			trans	-71.9	152.9	178.2	-66.7	-72.8	0	0	0	112	K187 H188 M213 Y214	K187-Y326 HydrophobicContact CB-CE1 4.41Å; H188-Y326 PolarHBondContact CD2-OH 3.18Å; H188-Y326 AromaticContact CE1-CE1 3.96Å; H188-Y326 AromaticContact CE1-CE2 3.95Å; H188-Y326 AromaticContact CE1-CZ 3.6Å; H188-Y326 AromaticContact NE2-CE2 3.87Å; H188-Y326 AromaticContact NE2-CZ 3.6Å; H188-Y326 PolarHBondContact NE2-OH 3.34Å; H188-Y326 VanDerWaalsContact O-CE1 3.3Å; H188-Y326 WeakPolarHBondContact O-CE1 3.43Å; H188-Y326 PolarHBondContact O-OH 2.79Å; M213-Y326 HydrophobicContact CB-CD1 3.95Å; M213-Y326 HydrophobicContact CB-CG 4.34Å; M213-Y326 HydrophobicContact CE-CG 4.25Å; M213-Y326 HydrophobicContact SD-CG 4.17Å; Y214-Y326 CarbonylContact O-C 3.59Å; Y214-Y326 WeakPolarHBondContact O-CA 3.4Å
327	S	94.3	Very high	96	Very high	15 Å²	15	60.4 Å²	60.4	11%	0.105	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-145.8	145.9	171.5	177.9	0	0	0	0	108.7	M213 Y214 L329	M213-S327 CarbonylContact C-O 3.57Å; M213-S327 WeakPolarHBondContact CA-O 3.46Å; Y214-S327 WeakPolarHBondContact CD1-O 3.36Å; Y214-S327 WeakPolarHBondContact CE1-O 3.24Å; Y214-S327 PolarHBondContact N-O 2.64Å; Y214-S327 PolarHBondContact O-N 2.62Å; Y214-S327 PolarHBondContact OH-OG 3.04Å; Y214-S327 VanDerWaalsContact OH-OG 3.12Å; S327-L329 PolarHBondContact OG-N 3.18Å; S327-L329 VanDerWaalsContact OG-N 3.15Å
328	N	94	Very high	95.5	Very high	119 Å²	119	57.7 Å²	57.7	64%	0.636	32%	0.322	S	S	*	.			trans	-113.1	8.2	168	61.8	0.5	0	0	0	111.9	M213 M330	M213-N328 HydrophobicContact CG-CB 4.3Å; N328-M330 PolarHBondContact O-N 3.25Å
329	L	95.6	Very high	94.7	Very high	77 Å²	77	65.9 Å²	65.9	40%	0.403	35%	0.351	S	S	.	.			trans	-69.5	115.7	-178.9	178.3	63.3	0	0	0	110.4	Y214 I277 S327 V331	Y214-L329 WeakPolarHBondContact CE1-O 3.1Å; Y214-L329 PolarHBondContact OH-O 3.04Å; I277-L329 HydrophobicContact CD1-CD2 3.92Å; I277-L329 HydrophobicContact CG2-CD2 4.37Å; S327-L329 PolarHBondContact OG-N 3.18Å; S327-L329 VanDerWaalsContact OG-N 3.15Å; L329-V331 HydrophobicContact CD1-CG2 4.37Å; L329-V331 HydrophobicContact CD2-CG2 4.34Å; L329-V331 HydrophobicContact CG-CG2 4.11Å
330	M	97.3	Very high	94.3	Very high	99 Å²	99	65.9 Å²	65.9	49%	0.488	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.7	170.3	178	178.7	75.5	0	0	109.1	F278 K280 N328	F278-M330 HydrophobicContact CD1-CB 3.82Å; F278-M330 HydrophobicContact CD1-CG 3.63Å; F278-M330 HydrophobicContact CD1-SD 4.33Å; F278-M330 HydrophobicContact CE1-CB 4.07Å; F278-M330 HydrophobicContact CE1-CG 3.45Å; F278-M330 VanDerWaalsContact CE1-CG 3.45Å; F278-M330 HydrophobicContact CE1-SD 3.59Å; F278-M330 VanDerWaalsContact CE1-SD 3.59Å; F278-M330 HydrophobicContact CZ-CG 4.3Å; F278-M330 HydrophobicContact CZ-SD 4.32Å; K280-M330 HydrophobicContact CB-CG 3.98Å; K280-M330 HydrophobicContact CB-SD 4.03Å; K280-M330 HydrophobicContact CD-CE 4.24Å; K280-M330 HydrophobicContact CD-SD 3.85Å; K280-M330 HydrophobicContact CG-SD 4.28Å; N328-M330 PolarHBondContact O-N 3.25Å
331	V	98.2	Very high	94	Very high	29 Å²	29	64.8 Å²	64.8	18%	0.176	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.5	178.7	-175.3	0	0	0	0	109.5	F168 V172 I277 F278 V279 K280 L329	F168-V331 HydrophobicContact CE1-CG1 3.99Å; F168-V331 HydrophobicContact CZ-CG1 3.74Å; V172-V331 HydrophobicContact CG2-CG1 3.97Å; I277-V331 HydrophobicContact CG2-CG2 3.73Å; F278-V331 PolarHBondContact O-N 3.05Å; V279-V331 HydrophobicContact CG2-CB 4.38Å; K280-V331 PolarHBondContact N-O 3.12Å; L329-V331 HydrophobicContact CD1-CG2 4.37Å; L329-V331 HydrophobicContact CD2-CG2 4.34Å; L329-V331 HydrophobicContact CG-CG2 4.11Å
332	S	97.4	Very high	93.7	Very high	55 Å²	55	66.2 Å²	66.2	39%	0.385	35%	0.346	S	S	.	.			trans	-138.3	149.3	174.6	-63.7	0	0	0	0	109.4	F334	S332-F334 PolarHBondContact O-N 3.38Å
333	Q	97.1	Very high	93.2	Very high	70 Å²	70	72.5 Å²	72.5	33%	0.327	37%	0.373	S	S	.	.			trans	-73.9	120.2	-180	-172.8	174.3	7.7	0	0	110	F168 G335 F336 N341	F168-Q333 HydrophobicContact CD1-CB 3.89Å; F168-Q333 HydrophobicContact CD2-CB 3.82Å; F168-Q333 HydrophobicContact CD2-CG 3.81Å; F168-Q333 HydrophobicContact CE1-CB 3.88Å; F168-Q333 VanDerWaalsContact CE1-N 3.35Å; F168-Q333 HydrophobicContact CE2-CB 3.81Å; F168-Q333 HydrophobicContact CE2-CG 3.97Å; F168-Q333 HydrophobicContact CG-CB 3.86Å; F168-Q333 HydrophobicContact CG-CG 4.21Å; F168-Q333 VanDerWaalsContact CZ-CA 3.48Å; F168-Q333 HydrophobicContact CZ-CB 3.84Å; F168-Q333 HydrophobicContact CZ-CG 4.49Å; Q333-G335 PolarHBondContact O-N 3.04Å; Q333-F336 HydrophobicContact CB-CB 4.07Å; Q333-F336 HydrophobicContact CB-CD1 4.49Å; Q333-F336 HydrophobicContact CG-CB 3.9Å; Q333-F336 PolarHBondContact O-N 3.27Å; Q333-F336 VanDerWaalsContact O-O 3.1Å; Q333-N341 PolarHBondContact O-ND2 3.36Å
334	F	95.9	Very high	92	Very high	156 Å²	156	75.3 Å²	75.3	68%	0.684	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	126.5	176.6	178.2	-99.9	0	0	0	110.7	S332 H342	S332-F334 PolarHBondContact O-N 3.38Å; F334-H342 HydrophobicContact CD2-CB 4.08Å; F334-H342 HydrophobicContact CE2-CB 3.69Å; F334-H342 AromaticContact CE2-CE1 3.95Å; F334-H342 AromaticContact CE2-CG 3.44Å; F334-H342 VanDerWaalsContact CE2-CG 3.44Å; F334-H342 AromaticContact CE2-ND1 3.35Å; F334-H342 VanDerWaalsContact CE2-ND1 3.35Å; F334-H342 WeakPolarHBondContact CE2-ND1 3.02Å; F334-H342 AromaticContact CZ-CE1 3.88Å; F334-H342 AromaticContact CZ-ND1 3.7Å
335	G	93.9	Very high	90.2	Very high	24 Å²	24	86.7 Å²	86.7	25%	0.247	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	9.1	179.4	0	0	0	0	0	115.8	Q333 S338 Y339 N341	Q333-G335 PolarHBondContact O-N 3.04Å; G335-S338 CarbonylContact C-O 3.56Å; G335-S338 VanDerWaalsContact C-O 3.25Å; G335-S338 CarbonylContact O-C 3.52Å; G335-Y339 WeakPolarHBondContact O-CA 2.97Å; G335-N341 PolarHBondContact N-OD1 2.93Å
336	F	93.8	Very high	88.2	Confident	63 Å²	63	92.5 Å²	92.5	28%	0.276	50%	0.499	S	S	.	.			trans	-135.7	139.6	178.1	-177.2	-96.3	0	0	0	111.3	P164 V282 Q333 N341	P164-F336 HydrophobicContact CB-CE1 3.7Å; P164-F336 HydrophobicContact CB-CE2 4.3Å; P164-F336 HydrophobicContact CB-CZ 3.5Å; P164-F336 VanDerWaalsContact CB-CZ 3.5Å; P164-F336 HydrophobicContact CG-CZ 3.89Å; V282-F336 HydrophobicContact CB-CE1 3.93Å; V282-F336 HydrophobicContact CG1-CE1 3.97Å; V282-F336 HydrophobicContact CG1-CZ 4.37Å; V282-F336 HydrophobicContact CG2-CD1 3.81Å; V282-F336 HydrophobicContact CG2-CE1 3.63Å; Q333-F336 HydrophobicContact CB-CB 4.07Å; Q333-F336 HydrophobicContact CB-CD1 4.49Å; Q333-F336 HydrophobicContact CG-CB 3.9Å; Q333-F336 PolarHBondContact O-N 3.27Å; Q333-F336 VanDerWaalsContact O-O 3.1Å; F336-N341 PolarHBondContact O-ND2 3.47Å
337	P	88.4	Confident	87.8	Confident	82 Å²	82	93.9 Å²	93.9	53%	0.532	51%	0.511	S	S	.	.	S	Bend	cis	-76.6	-23	-0.3	31.9	-34.7	0	0	0	113.3	V282	V282-P337 HydrophobicContact CG1-CB 3.75Å; V282-P337 HydrophobicContact CG1-CG 3.72Å; V282-P337 HydrophobicContact CG2-CG 4.28Å
338	S	87.9	Confident	87.5	Confident	69 Å²	69	98.1 Å²	98.1	48%	0.483	53%	0.533	S	S	.	.	S	Bend	trans	-93.1	128.3	177.2	-52.1	0	0	0	0	109.7	G335 A340 N341	G335-S338 CarbonylContact C-O 3.56Å; G335-S338 VanDerWaalsContact C-O 3.25Å; G335-S338 CarbonylContact O-C 3.52Å; S338-A340 PolarHBondContact O-N 2.76Å; S338-N341 WeakPolarHBondContact O-CB 3.16Å; S338-N341 PolarHBondContact O-N 3.19Å
339	Y	83.4	Confident	87.1	Confident	212 Å²	212	96.9 Å²	96.9	83%	0.831	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-33	179.9	176.9	-101.2	0	0	0	113.8	G335	G335-Y339 WeakPolarHBondContact O-CA 2.97Å
340	A	89.4	Confident	86.6	Confident	40 Å²	40	98.1 Å²	98.1	33%	0.331	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	36.3	-180	0	0	0	0	0	113.6	S338 H342 K343 S344	S338-A340 PolarHBondContact O-N 2.76Å; A340-H342 PolarHBondContact O-N 3.11Å; A340-K343 HydrophobicContact CB-CB 4.48Å; A340-K343 PolarHBondContact O-N 3.46Å; A340-S344 PolarHBondContact O-N 3.14Å; A340-S344 VanDerWaalsContact O-N 3.08Å
341	N	90.7	Very high	86	Confident	41 Å²	41	98 Å²	98	22%	0.219	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.7	-178.9	70.9	-11.4	0	0	0	114.6	Q333 G335 F336 S338 K343 S344	Q333-N341 PolarHBondContact O-ND2 3.36Å; G335-N341 PolarHBondContact N-OD1 2.93Å; F336-N341 PolarHBondContact O-ND2 3.47Å; S338-N341 WeakPolarHBondContact O-CB 3.16Å; S338-N341 PolarHBondContact O-N 3.19Å; N341-K343 VanDerWaalsContact C-N 3.32Å; N341-S344 VanDerWaalsContact CA-OG 3.27Å; N341-S344 WeakPolarHBondContact CA-OG 3.49Å; N341-S344 PolarHBondContact O-OG 2.88Å
342	H	89.1	Confident	85.2	Confident	102 Å²	102	102.6 Å²	102.6	47%	0.472	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.2	-16.5	174	65.5	-80.4	0	0	0	114.1	F334 A340	F334-H342 HydrophobicContact CD2-CB 4.08Å; F334-H342 HydrophobicContact CE2-CB 3.69Å; F334-H342 AromaticContact CE2-CE1 3.95Å; F334-H342 AromaticContact CE2-CG 3.44Å; F334-H342 VanDerWaalsContact CE2-CG 3.44Å; F334-H342 AromaticContact CE2-ND1 3.35Å; F334-H342 VanDerWaalsContact CE2-ND1 3.35Å; F334-H342 WeakPolarHBondContact CE2-ND1 3.02Å; F334-H342 AromaticContact CZ-CE1 3.88Å; F334-H342 AromaticContact CZ-ND1 3.7Å; A340-H342 PolarHBondContact O-N 3.11Å
343	K	87.3	Confident	84.3	Confident	160 Å²	160	106 Å²	106	70%	0.696	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-24.9	178	-69.8	177.2	-177.6	179.6	0	112.9	A340 N341 R345	A340-K343 HydrophobicContact CB-CB 4.48Å; A340-K343 PolarHBondContact O-N 3.46Å; N341-K343 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.44Å
344	S	70.4	Confident	83.3	Confident	67 Å²	67	108.8 Å²	108.8	47%	0.469	59%	0.593	S	S	.	*	S	Bend	trans	-62.7	119.4	177.2	49	0	0	0	0	109.3	A340 N341 G346	A340-S344 PolarHBondContact O-N 3.14Å; A340-S344 VanDerWaalsContact O-N 3.08Å; N341-S344 VanDerWaalsContact CA-OG 3.27Å; N341-S344 WeakPolarHBondContact CA-OG 3.49Å; N341-S344 PolarHBondContact O-OG 2.88Å; S344-G346 PolarHBondContact O-N 3Å
345	R	59.6	Low	82.3	Confident	250 Å²	250	104.8 Å²	104.8	94%	0.943	59%	0.585	S	S	*	*			trans	-64.8	117.7	160.6	-67.6	-176.1	177.5	-174.7	-1.3	105.7	K343	K343-R345 PolarHBondContact O-N 3.44Å
346	G	53.1	Low	81.2	Confident	148 Å²	148	112.2 Å²	112.2	100%	1.526	62%	0.616	S	S	*	*			trans	-62.2	0	-174.5	0	0	0	0	0	114	S344	S344-G346 PolarHBondContact O-N 3Å

Retrieved 346 of 346 residues in 97.7 ms (Link to these results)

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