A0A077ZMG2_TRITR Loading...

proline--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZMG2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 533 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.1	Low	81.9	Confident	153 Å²	153	111.1 Å²	111.1	75%	0.754	60%	0.595	S	S	*	*				0	-62.7	0	-82.8	-68.6	-96	0	0	114.1	A3 L4 K5	M1-A3 PolarHBondContact O-N 3.41Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-K5 PolarHBondContact O-N 3.09Å
2	K	77.4	Confident	82	Confident	191 Å²	191	105.3 Å²	105.3	83%	0.83	57%	0.569	S	S	*	*	H	α-helix	trans	-54.5	-45.1	178.7	-87.1	-175	177.2	179.4	0	113.7	L4 K5 A6	K2-L4 PolarHBondContact O-N 3.11Å; K2-K5 PolarHBondContact O-N 3.06Å; K2-A6 PolarHBondContact O-N 3.04Å
3	A	77	Confident	81.8	Confident	78 Å²	78	101.8 Å²	101.8	65%	0.645	57%	0.574	S	S	*	*	H	α-helix	trans	-60.9	-40.5	178.3	0	0	0	0	0	113.2	M1 A6 N7	M1-A3 PolarHBondContact O-N 3.41Å; A3-A6 PolarHBondContact O-N 2.79Å; A3-N7 PolarHBondContact O-N 3.34Å
4	L	85.4	Confident	81.4	Confident	124 Å²	124	103.3 Å²	103.3	65%	0.649	57%	0.573	S	S	*	*	H	α-helix	trans	-65.5	-40.7	177.3	-74.6	162	0	0	0	112.1	M1 K2 A6 N7 Y8	M1-L4 PolarHBondContact O-N 3.32Å; K2-L4 PolarHBondContact O-N 3.11Å; L4-A6 VanDerWaalsContact C-N 3.35Å; L4-N7 PolarHBondContact O-N 3.03Å; L4-Y8 WeakPolarHBondContact O-CB 3.29Å; L4-Y8 PolarHBondContact O-N 3.12Å
5	K	88.7	Confident	81.7	Confident	89 Å²	89	106 Å²	106	39%	0.387	58%	0.58	S	S	.	*	H	α-helix	trans	-65.7	-37.8	175.7	-64.2	-172.3	-175.4	-165.2	0	112.1	M1 K2 Y8 K9 W16	M1-K5 PolarHBondContact O-N 3.09Å; K2-K5 PolarHBondContact O-N 3.06Å; K5-Y8 PolarHBondContact O-N 2.75Å; K5-K9 PolarHBondContact O-N 2.98Å; K5-W16 HydrophobicContact CB-CB 4.48Å; K5-W16 HydrophobicContact CD-CE3 3.92Å; K5-W16 VanDerWaalsContact CE-CZ3 3.49Å; K5-W16 HydrophobicContact CG-CB 4.25Å; K5-W16 HydrophobicContact CG-CD2 4.37Å; K5-W16 HydrophobicContact CG-CE3 4.08Å; K5-W16 HydrophobicContact CG-CG 4.49Å
6	A	84.2	Confident	81.4	Confident	61 Å²	61	106.2 Å²	106.2	50%	0.504	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-43.3	174.7	0	0	0	0	0	111.6	K2 A3 L4 K9 A10	K2-A6 PolarHBondContact O-N 3.04Å; A3-A6 PolarHBondContact O-N 2.79Å; L4-A6 VanDerWaalsContact C-N 3.35Å; A6-K9 PolarHBondContact O-N 3.14Å; A6-A10 WeakPolarHBondContact O-CB 3.27Å; A6-A10 PolarHBondContact O-N 3.05Å
7	N	86.3	Confident	81.3	Confident	101 Å²	101	106.2 Å²	106.2	54%	0.54	57%	0.569	S	S	.	*	H	α-helix	trans	-62.9	-41.9	174.9	-120	6.5	0	0	0	111.8	A3 L4 K9 A10 I11	A3-N7 PolarHBondContact O-N 3.34Å; L4-N7 PolarHBondContact O-N 3.03Å; N7-K9 VanDerWaalsContact C-N 3.34Å; N7-K9 PolarHBondContact O-N 3.43Å; N7-A10 PolarHBondContact O-N 3.29Å; N7-I11 VanDerWaalsContact O-CG1 3.29Å; N7-I11 WeakPolarHBondContact O-CG1 3.49Å; N7-I11 PolarHBondContact O-N 3.32Å
8	Y	88	Confident	79.8	Confident	101 Å²	101	105.9 Å²	105.9	40%	0.396	57%	0.574	S	S	.	*	H	α-helix	trans	-58.1	-45.8	173.3	177.7	-92.9	0	0	0	111.4	L4 K5 I11 S12 H14 W16	L4-Y8 WeakPolarHBondContact O-CB 3.29Å; L4-Y8 PolarHBondContact O-N 3.12Å; K5-Y8 PolarHBondContact O-N 2.75Å; Y8-I11 PolarHBondContact O-N 3.12Å; Y8-S12 WeakPolarHBondContact CD1-OG 3.26Å; Y8-S12 VanDerWaalsContact CE1-OG 3.29Å; Y8-S12 WeakPolarHBondContact CE1-OG 3.22Å; Y8-S12 VanDerWaalsContact O-CB 3.25Å; Y8-S12 WeakPolarHBondContact O-CB 3.28Å; Y8-S12 PolarHBondContact O-N 3.11Å; Y8-S12 PolarHBondContact O-OG 2.8Å; Y8-H14 WeakPolarHBondContact CD1-O 3.5Å; Y8-H14 HydrophobicContact CE1-CB 4.22Å; Y8-H14 VanDerWaalsContact CE1-O 3.26Å; Y8-H14 WeakPolarHBondContact CE1-O 3.27Å; Y8-W16 HydrophobicContact CD1-CB 3.58Å; Y8-W16 HydrophobicContact CD1-CG 4.33Å; Y8-W16 HydrophobicContact CE1-CB 4.01Å; Y8-W16 HydrophobicContact CG-CB 4.09Å; Y8-W16 HydrophobicContact CG-CG 4.49Å
9	K	88.2	Confident	77.7	Confident	101 Å²	101	103.3 Å²	103.3	44%	0.439	57%	0.574	S	S	.	*	H	α-helix	trans	-64.7	-38.9	177.5	-170.4	176.2	-173.7	167.6	0	112.6	K5 A6 N7 G13 H14 E15	K5-K9 PolarHBondContact O-N 2.98Å; A6-K9 PolarHBondContact O-N 3.14Å; N7-K9 VanDerWaalsContact C-N 3.34Å; N7-K9 PolarHBondContact O-N 3.43Å; K9-G13 VanDerWaalsContact O-CA 3.26Å; K9-G13 WeakPolarHBondContact O-CA 3.45Å; K9-G13 PolarHBondContact O-N 3.29Å; K9-H14 VanDerWaalsContact CA-O 3.28Å; K9-H14 WeakPolarHBondContact CA-O 3.1Å; K9-E15 HydrophobicContact CD-CG 4Å; K9-E15 IonicContact NZ-OE1 2.66Å; K9-E15 PolarHBondContact NZ-OE1 3.13Å
10	A	80.9	Confident	75.7	Confident	82 Å²	82	105.3 Å²	105.3	68%	0.678	58%	0.583	S	S	*	*	H	α-helix	trans	-66	-38.2	177.6	0	0	0	0	0	112.7	A6 N7	A6-A10 WeakPolarHBondContact O-CB 3.27Å; A6-A10 PolarHBondContact O-N 3.05Å; N7-A10 PolarHBondContact O-N 3.29Å
11	I	80.5	Confident	73.8	Confident	141 Å²	141	111.5 Å²	111.5	72%	0.723	60%	0.597	S	S	*	*	H	α-helix	trans	-83.5	-41.8	-178.2	-63.7	169.8	0	0	0	111.8	N7 Y8	N7-I11 VanDerWaalsContact O-CG1 3.29Å; N7-I11 WeakPolarHBondContact O-CG1 3.49Å; N7-I11 PolarHBondContact O-N 3.32Å; Y8-I11 PolarHBondContact O-N 3.12Å
12	S	83.7	Confident	72.4	Confident	41 Å²	41	110.9 Å²	110.9	29%	0.287	60%	0.597	S	S	.	*	H	α-helix	trans	-96.1	-16.8	-172.5	71.1	0	0	0	0	114.4	Y8 H14	Y8-S12 WeakPolarHBondContact CD1-OG 3.26Å; Y8-S12 VanDerWaalsContact CE1-OG 3.29Å; Y8-S12 WeakPolarHBondContact CE1-OG 3.22Å; Y8-S12 VanDerWaalsContact O-CB 3.25Å; Y8-S12 WeakPolarHBondContact O-CB 3.28Å; Y8-S12 PolarHBondContact O-N 3.11Å; Y8-S12 PolarHBondContact O-OG 2.8Å; S12-H14 PolarHBondContact O-CD2 3.07Å; S12-H14 PolarHBondContact O-N 3.23Å; S12-H14 PolarHBondContact OG-N 2.82Å; S12-H14 VanDerWaalsContact OG-N 3.13Å; S12-H14 PolarHBondContact OG-O 3.21Å
13	G	79.2	Confident	70.1	Confident	61 Å²	61	107.9 Å²	107.9	63%	0.629	60%	0.595	S	S	*	*	S	Bend	trans	72.1	-3.1	-168.8	0	0	0	0	0	114.4	K9	K9-G13 VanDerWaalsContact O-CA 3.26Å; K9-G13 WeakPolarHBondContact O-CA 3.45Å; K9-G13 PolarHBondContact O-N 3.29Å
14	H	76.5	Confident	67.8	Low	122 Å²	122	114.8 Å²	114.8	57%	0.565	61%	0.605	S	S	*	*	S	Bend	trans	-113.4	149.3	-174.3	-62.4	-65.9	0	0	0	112.3	Y8 K9 S12	Y8-H14 WeakPolarHBondContact CD1-O 3.5Å; Y8-H14 HydrophobicContact CE1-CB 4.22Å; Y8-H14 VanDerWaalsContact CE1-O 3.26Å; Y8-H14 WeakPolarHBondContact CE1-O 3.27Å; K9-H14 VanDerWaalsContact CA-O 3.28Å; K9-H14 WeakPolarHBondContact CA-O 3.1Å; S12-H14 PolarHBondContact O-CD2 3.07Å; S12-H14 PolarHBondContact O-N 3.23Å; S12-H14 PolarHBondContact OG-N 2.82Å; S12-H14 VanDerWaalsContact OG-N 3.13Å; S12-H14 PolarHBondContact OG-O 3.21Å
15	E	84.8	Confident	65.4	Low	144 Å²	144	113.5 Å²	113.5	67%	0.673	61%	0.612	S	S	*	*			trans	-75.4	135.7	171	-76.1	-168	169.8	0	0	111.1	K9 N17	K9-E15 HydrophobicContact CD-CG 4Å; K9-E15 IonicContact NZ-OE1 2.66Å; K9-E15 PolarHBondContact NZ-OE1 3.13Å; E15-N17 PolarHBondContact O-N 3.36Å
16	W	78.1	Confident	62.5	Low	109 Å²	109	118.5 Å²	118.5	41%	0.413	64%	0.636	S	S	.	*			trans	-69	105.6	178.5	-174.7	82.9	0	0	0	110.1	K5 Y8 P18	K5-W16 HydrophobicContact CB-CB 4.48Å; K5-W16 HydrophobicContact CD-CE3 3.92Å; K5-W16 VanDerWaalsContact CE-CZ3 3.49Å; K5-W16 HydrophobicContact CG-CB 4.25Å; K5-W16 HydrophobicContact CG-CD2 4.37Å; K5-W16 HydrophobicContact CG-CE3 4.08Å; K5-W16 HydrophobicContact CG-CG 4.49Å; Y8-W16 HydrophobicContact CD1-CB 3.58Å; Y8-W16 HydrophobicContact CD1-CG 4.33Å; Y8-W16 HydrophobicContact CE1-CB 4.01Å; Y8-W16 HydrophobicContact CG-CB 4.09Å; Y8-W16 HydrophobicContact CG-CG 4.49Å; W16-P18 HydrophobicContact CE3-CG 4.45Å; W16-P18 HydrophobicContact CH2-CB 3.95Å; W16-P18 HydrophobicContact CH2-CG 3.81Å; W16-P18 HydrophobicContact CZ2-CB 4.08Å; W16-P18 HydrophobicContact CZ2-CG 4.4Å; W16-P18 HydrophobicContact CZ3-CB 4.39Å; W16-P18 HydrophobicContact CZ3-CG 3.82Å
17	N	79.4	Confident	59.7	Low	106 Å²	106	125.4 Å²	125.4	57%	0.567	66%	0.655	S	S	*	*			trans	-123.4	111.7	174.7	-171.1	-1.1	0	0	0	110	E15 G19	E15-N17 PolarHBondContact O-N 3.36Å; N17-G19 PolarHBondContact O-N 3.23Å
18	P	53.9	Low	56.9	Low	102 Å²	102	129.6 Å²	129.6	66%	0.662	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	10.8	-173	29	-33.8	0	0	0	115	W16	W16-P18 HydrophobicContact CE3-CG 4.45Å; W16-P18 HydrophobicContact CH2-CB 3.95Å; W16-P18 HydrophobicContact CH2-CG 3.81Å; W16-P18 HydrophobicContact CZ2-CB 4.08Å; W16-P18 HydrophobicContact CZ2-CG 4.4Å; W16-P18 HydrophobicContact CZ3-CB 4.39Å; W16-P18 HydrophobicContact CZ3-CG 3.82Å
19	G	41	Very low	53.7	Low	55 Å²	55	134.9 Å²	134.9	57%	0.567	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.3	57.6	-172.9	0	0	0	0	0	116.7	N17	N17-G19 PolarHBondContact O-N 3.23Å
20	L	36.8	Very low	50.8	Low	143 Å²	143	139.8 Å²	139.8	75%	0.749	72%	0.718	S	S	*	*			trans	-159	111.9	157.1	-98.5	144.2	0	0	0	109.9	D22	L20-D22 PolarHBondContact O-N 3.04Å
21	R	35.4	Very low	48.2	Very low	236 Å²	236	145.2 Å²	145.2	89%	0.891	73%	0.729	S	S	*	*			trans	-62	112.7	163.1	-83	176.8	168.1	177.3	-4.9	107.4	T23	R21-T23 PolarHBondContact O-N 3.22Å; R21-T23 VanDerWaalsContact O-N 3.11Å
22	D	34.4	Very low	45.5	Very low	140 Å²	140	148.6 Å²	148.6	75%	0.749	74%	0.738	S	S	*	*			trans	-62.5	111.1	-176	-155.3	-12	0	0	0	110.6	L20 R24	L20-D22 PolarHBondContact O-N 3.04Å; D22-R24 PolarHBondContact OD1-N 3.13Å
23	T	29.4	Very low	42.6	Very low	129 Å²	129	150.3 Å²	150.3	79%	0.791	76%	0.762	S	S	*	*			trans	-124.6	57.6	169.8	42.1	0	0	0	0	108	R21	R21-T23 PolarHBondContact O-N 3.22Å; R21-T23 VanDerWaalsContact O-N 3.11Å
24	R	29.2	Very low	40.4	Very low	223 Å²	223	154.5 Å²	154.5	84%	0.842	77%	0.771	S	S	*	*			trans	-132.3	77.9	165.8	-70.2	-171.4	178.5	178	0	110.8	D22 H26	D22-R24 PolarHBondContact OD1-N 3.13Å; R24-H26 PolarHBondContact O-N 3.05Å
25	A	33.9	Very low	38.6	Very low	97 Å²	97	154.1 Å²	154.1	80%	0.802	78%	0.779	S	S	*	*			trans	-53.8	124.2	152.2	0	0	0	0	0	108.9	K27	A25-K27 PolarHBondContact O-N 3.19Å; A25-K27 VanDerWaalsContact O-N 3.14Å
26	H	27.9	Very low	35.9	Very low	194 Å²	194	154.5 Å²	154.5	90%	0.898	79%	0.786	S	S	*	*			trans	-43	113.6	172.6	-81.1	-88.4	0	0	0	111.3	R24	R24-H26 PolarHBondContact O-N 3.05Å
27	K	27.3	Very low	33.7	Very low	206 Å²	206	160.8 Å²	160.8	90%	0.896	81%	0.809	S	S	*	*			trans	-109.4	119.6	159.3	-91.3	-173.7	175.5	-179.9	0	108.6	A25	A25-K27 PolarHBondContact O-N 3.19Å; A25-K27 VanDerWaalsContact O-N 3.14Å
28	E	26.6	Very low	31.3	Very low	189 Å²	189	161.4 Å²	161.4	88%	0.883	82%	0.819	S	S	*	*			trans	-55.6	149.9	-179.7	-67.3	171.4	138.2	0	0	112.7	K30	E28-K30 PolarHBondContact O-N 3.43Å
29	K	21.4	Very low	30.3	Very low	211 Å²	211	163.2 Å²	163.2	92%	0.917	83%	0.828	S	S	*	*			trans	-57.1	121.2	172.3	-72	172.6	173.7	175.9	0	109.9
30	K	26.6	Very low	29.8	Very low	205 Å²	205	165 Å²	165	89%	0.891	84%	0.838	S	S	*	*			trans	-129.4	144.4	155.8	-91	-171.4	176.2	-179.1	0	111.4	E28	E28-K30 PolarHBondContact O-N 3.43Å
31	E	26.2	Very low	29.5	Very low	196 Å²	196	166.7 Å²	166.7	92%	0.916	84%	0.841	S	S	*	*			trans	-72.9	170	-158.8	-69.8	169.2	128.7	0	0	115.4
32	K	24.9	Very low	29.3	Very low	211 Å²	211	161.2 Å²	161.2	92%	0.917	84%	0.836	S	S	*	*			trans	-61.8	136.2	-176.9	-65.9	171.4	172	177	0	113.4
33	G	22.5	Very low	28.9	Very low	77 Å²	77	163.5 Å²	163.5	79%	0.794	84%	0.843	S	S	*	*				89.3	114.3	129.1	0	0	0	0	0	118.3
34	D	32.3	Very low	28.8	Very low	150 Å²	150	166.2 Å²	166.2	80%	0.802	85%	0.846	S	S	*	*			trans	-146.5	117.3	131.8	-164.3	-0.4	0	0	0	108.9	N36	D34-N36 PolarHBondContact O-N 3.28Å
35	P	38.4	Very low	28.9	Very low	114 Å²	114	165 Å²	165	74%	0.74	85%	0.847	S	S	*	*			trans	-92.7	78.9	-175.3	35.7	-30.1	0	0	0	110.3
36	N	29.1	Very low	28.7	Very low	152 Å²	152	165.3 Å²	165.3	81%	0.813	84%	0.843	S	S	*	*			trans	-165.1	84.2	162	-107.2	-20.8	0	0	0	112	D34	D34-N36 PolarHBondContact O-N 3.28Å
37	R	31	Very low	28.9	Very low	241 Å²	241	161.5 Å²	161.5	91%	0.909	83%	0.83	S	S	*	*			trans	-156.1	141.3	150.2	-117.2	170.3	-175.7	-169.1	0.8	111.5
38	P	29.8	Very low	29.2	Very low	119 Å²	119	158.8 Å²	158.8	77%	0.773	82%	0.824	S	S	*	*			trans	-70	144.4	-164.8	-12.7	28	0	0	0	112.3	A40	P38-A40 PolarHBondContact O-N 3.17Å; P38-A40 VanDerWaalsContact O-N 3.11Å
39	V	32.6	Very low	29.4	Very low	140 Å²	140	157.6 Å²	157.6	85%	0.848	82%	0.816	S	S	*	*			trans	-60.3	108.5	173.9	-179.3	0	0	0	0	108.5	E41	V39-E41 PolarHBondContact O-N 3.45Å
40	A	30.8	Very low	30.1	Very low	93 Å²	93	157 Å²	157	77%	0.769	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.6	123.4	166.9	0	0	0	0	0	108.2	P38	P38-A40 PolarHBondContact O-N 3.17Å; P38-A40 VanDerWaalsContact O-N 3.11Å
41	E	29.3	Very low	30.6	Very low	177 Å²	177	155.1 Å²	155.1	83%	0.827	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-56.9	146	173.5	-72.6	-179.1	157.8	0	0	110.6	V39 Q43	V39-E41 PolarHBondContact O-N 3.45Å; E41-Q43 PolarHBondContact O-N 3.08Å; E41-Q43 VanDerWaalsContact O-N 3.09Å
42	P	30.9	Very low	31.8	Very low	121 Å²	121	150 Å²	150	79%	0.786	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-67.9	116.2	-172	3.6	8.7	0	0	0	109.1	E44	P42-E44 PolarHBondContact O-N 3.07Å
43	Q	27.7	Very low	33.9	Very low	189 Å²	189	150.6 Å²	150.6	88%	0.883	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-50.3	118.4	163.5	-79.8	-179	-40.4	0	0	108.3	E41 K45	E41-Q43 PolarHBondContact O-N 3.08Å; E41-Q43 VanDerWaalsContact O-N 3.09Å; Q43-K45 PolarHBondContact O-N 2.96Å
44	E	27	Very low	36.8	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	76%	0.755	S	S	*	*			trans	-45.8	116.5	169.9	-76.1	-178.1	138.1	0	0	108.4	P42 S46	P42-E44 PolarHBondContact O-N 3.07Å; E44-S46 PolarHBondContact O-N 3.41Å
45	K	29.8	Very low	39.5	Very low	196 Å²	196	143 Å²	143	85%	0.852	74%	0.738	S	S	*	*			trans	-62.8	92.7	163.5	-82.1	-179.4	175.4	175.7	0	106.6	Q43 D47	Q43-K45 PolarHBondContact O-N 2.96Å; K45-D47 PolarHBondContact O-N 3.33Å
46	S	30.4	Very low	42.2	Very low	104 Å²	104	139 Å²	139	73%	0.727	71%	0.71	S	S	*	*			trans	-46.5	112.5	167.4	58.3	0	0	0	0	108.8	E44 L48	E44-S46 PolarHBondContact O-N 3.41Å; S46-L48 PolarHBondContact O-N 3.33Å; S46-L48 VanDerWaalsContact O-N 3.12Å
47	D	31.5	Very low	45.4	Very low	115 Å²	115	138.2 Å²	138.2	62%	0.615	70%	0.701	S	S	*	*			trans	13.5	81.4	161.5	-69.9	-51.5	0	0	0	117.2	K45 K49	K45-D47 PolarHBondContact O-N 3.33Å; D47-K49 HydrophobicContact CB-CB 4.37Å; D47-K49 HydrophobicContact CB-CG 4.45Å; D47-K49 PolarHBondContact O-N 3.42Å; D47-K49 VanDerWaalsContact O-N 3.12Å; D47-K49 VanDerWaalsContact OD1-CD 3.27Å; D47-K49 WeakPolarHBondContact OD1-CD 3.47Å; D47-K49 VanDerWaalsContact OD1-CE 3.29Å; D47-K49 WeakPolarHBondContact OD1-CE 3.49Å; D47-K49 WeakPolarHBondContact OD1-CG 3.49Å; D47-K49 IonicContact OD1-NZ 2.75Å; D47-K49 PolarHBondContact OD1-NZ 3.26Å
48	L	33.9	Very low	48.4	Very low	148 Å²	148	127.8 Å²	127.8	78%	0.775	66%	0.664	S	S	*	*			trans	-76.4	31.7	150.5	-81.8	161.8	0	0	0	111	S46 K50	S46-L48 PolarHBondContact O-N 3.33Å; S46-L48 VanDerWaalsContact O-N 3.12Å; L48-K50 PolarHBondContact O-N 3.06Å
49	K	31	Very low	51.6	Low	165 Å²	165	128.3 Å²	128.3	72%	0.717	65%	0.651	S	S	*	*			trans	-67.3	102.5	177.3	-82	-174.4	-175.8	123.9	0	109	D47 Q51	D47-K49 HydrophobicContact CB-CB 4.37Å; D47-K49 HydrophobicContact CB-CG 4.45Å; D47-K49 PolarHBondContact O-N 3.42Å; D47-K49 VanDerWaalsContact O-N 3.12Å; D47-K49 VanDerWaalsContact OD1-CD 3.27Å; D47-K49 WeakPolarHBondContact OD1-CD 3.47Å; D47-K49 VanDerWaalsContact OD1-CE 3.29Å; D47-K49 WeakPolarHBondContact OD1-CE 3.49Å; D47-K49 WeakPolarHBondContact OD1-CG 3.49Å; D47-K49 IonicContact OD1-NZ 2.75Å; D47-K49 PolarHBondContact OD1-NZ 3.26Å; K49-Q51 PolarHBondContact O-N 2.88Å
50	K	35.8	Very low	54.6	Low	198 Å²	198	122.9 Å²	122.9	86%	0.861	62%	0.616	S	S	*	*			trans	52.3	54.8	164.9	-62.4	-176.9	178.8	178.9	0	114.7	L48 T52	L48-K50 PolarHBondContact O-N 3.06Å; K50-T52 PolarHBondContact O-N 3.28Å
51	Q	37.2	Very low	57.7	Low	166 Å²	166	124.3 Å²	124.3	78%	0.776	61%	0.607	S	S	*	*			trans	-64.4	109.4	155.5	-140.8	176.2	11.8	0	0	106.6	K49 R53	K49-Q51 PolarHBondContact O-N 2.88Å; Q51-R53 PolarHBondContact O-N 2.77Å
52	T	52.9	Low	60.7	Low	88 Å²	88	122.1 Å²	122.1	54%	0.54	60%	0.597	S	S	.	*			trans	-63	122.5	178.5	45.4	0	0	0	0	107.9	K50 L54	K50-T52 PolarHBondContact O-N 3.28Å; T52-L54 PolarHBondContact O-N 2.77Å
53	R	69	Low	63.8	Low	224 Å²	224	118.1 Å²	118.1	85%	0.845	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	17.8	176	-70	-170.9	177.6	-177.5	-0.9	114	Q51	Q51-R53 PolarHBondContact O-N 2.77Å
54	L	82.7	Confident	67	Low	26 Å²	26	110.3 Å²	110.3	14%	0.136	53%	0.533	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-41.1	-175.4	-172.7	66.2	0	0	0	111.1	T52 W379 H383 L386	T52-L54 PolarHBondContact O-N 2.77Å; L54-W379 HydrophobicContact CD1-CZ2 4.12Å; L54-W379 HydrophobicContact CD2-CD2 4.19Å; L54-W379 HydrophobicContact CD2-CG 4.42Å; L54-W379 HydrophobicContact CD2-CZ2 4.19Å; L54-H383 HydrophobicContact CD1-CB 4.17Å; L54-H383 HydrophobicContact CD2-CB 4Å; L54-L386 HydrophobicContact CD1-CD2 3.92Å; L54-L386 HydrophobicContact CG-CD2 4.36Å; L54-L386 VanDerWaalsContact O-CD2 3.24Å; L54-L386 WeakPolarHBondContact O-CD2 3Å
55	G	88.6	Confident	70.2	Confident	42 Å²	42	106.1 Å²	106.1	43%	0.433	52%	0.522	S	S	.	.	S	Bend	trans	-71.8	164.6	-179.1	0	0	0	0	0	113.8	K74	G55-K74 PolarHBondContact O-NZ 2.95Å
56	L	95.4	Very high	73.3	Confident	28 Å²	28	102 Å²	102	15%	0.147	51%	0.506	C	S	.	.			trans	-69.8	142.1	166.9	-53.3	-178.4	0	0	0	109.5	Q70 V71 K74 L386	L56-Q70 HydrophobicContact CD2-CB 3.92Å; L56-V71 HydrophobicContact CD1-CG2 3.54Å; L56-V71 HydrophobicContact CD2-CG2 3.85Å; L56-V71 HydrophobicContact CG-CG2 4.37Å; L56-K74 HydrophobicContact CD2-CD 4.25Å; L56-L386 HydrophobicContact CD2-CD1 3.89Å; L56-L386 HydrophobicContact CG-CD1 4.45Å
57	E	95.2	Very high	76.5	Confident	136 Å²	136	97 Å²	97	64%	0.636	47%	0.471	S	S	*	.	S	Bend	trans	-94.1	-9.6	-178.3	-68.1	154	-146.5	0	0	112.5	K74	E57-K74 IonicContact OE1-NZ 3.28Å; E57-K74 PolarHBondContact OE1-NZ 2.82Å
58	V	96	Very high	79.7	Confident	23 Å²	23	91.8 Å²	91.8	14%	0.139	44%	0.442	C	S	.	.	S	Bend	trans	-137.7	153.6	-177.4	-60.3	0	0	0	0	109.9	T63 E66 W67	V58-T63 HydrophobicContact CB-CG2 3.58Å; V58-T63 HydrophobicContact CG1-CG2 3.73Å; V58-T63 HydrophobicContact CG2-CG2 3.85Å; V58-E66 HydrophobicContact CG2-CB 4.04Å; V58-W67 HydrophobicContact CG2-CB 3.95Å
59	R	96.1	Very high	82.7	Confident	130 Å²	130	86.4 Å²	86.4	49%	0.491	42%	0.417	S	S	.	.			trans	-90.1	147.9	173.8	-59.2	178.3	57.3	175.6	-3.3	111.4	E61 E62 T63 N329	R59-E61 IonicContact CZ-OE2 3.22Å; R59-E61 IonicContact NE-OE2 3.13Å; R59-E61 PolarHBondContact NE-OE2 3.24Å; R59-E61 IonicContact NH2-OE2 3.63Å; R59-E61 PolarHBondContact NH2-OE2 3.09Å; R59-E61 VanDerWaalsContact NH2-OE2 3.13Å; R59-E61 PolarHBondContact O-N 2.83Å; R59-E62 HydrophobicContact CB-CB 4.3Å; R59-E62 HydrophobicContact CB-CG 3.93Å; R59-E62 WeakPolarHBondContact CB-OE2 3.24Å; R59-E62 WeakPolarHBondContact CD-OE1 3.46Å; R59-E62 PolarHBondContact N-OE2 2.98Å; R59-E62 PolarHBondContact O-N 3.4Å; R59-T63 PolarHBondContact O-N 2.9Å; R59-T63 VanDerWaalsContact O-N 3.17Å; R59-N329 VanDerWaalsContact CA-OD1 3.27Å; R59-N329 WeakPolarHBondContact CA-OD1 3.42Å; R59-N329 PolarHBondContact NE-ND2 2.74Å
60	K	96.3	Very high	85.8	Confident	25 Å²	25	79.6 Å²	79.6	11%	0.109	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.6	176.5	-172.1	178.2	-171.8	-177	0	112.1	F64 W67 M324 I325 G327 N329	K60-F64 HydrophobicContact CG-CD2 4.09Å; K60-W67 VanDerWaalsContact CA-CG 3.47Å; K60-W67 HydrophobicContact CB-CD2 3.72Å; K60-W67 HydrophobicContact CB-CE3 4.35Å; K60-W67 HydrophobicContact CB-CG 3.77Å; K60-W67 HydrophobicContact CB-CZ2 4.38Å; K60-W67 HydrophobicContact CD-CD2 4.25Å; K60-W67 HydrophobicContact CD-CE3 4.3Å; K60-W67 HydrophobicContact CD-CH2 3.82Å; K60-W67 HydrophobicContact CD-CZ2 3.72Å; K60-W67 HydrophobicContact CD-CZ3 4.11Å; K60-W67 HydrophobicContact CG-CD2 3.65Å; K60-W67 HydrophobicContact CG-CE3 3.77Å; K60-W67 HydrophobicContact CG-CG 4.19Å; K60-W67 HydrophobicContact CG-CH2 4.22Å; K60-W67 HydrophobicContact CG-CZ2 4.09Å; K60-W67 HydrophobicContact CG-CZ3 4.06Å; K60-M324 WeakPolarHBondContact CE-O 3.46Å; K60-M324 PolarHBondContact NZ-O 3.05Å; K60-I325 PolarHBondContact NZ-O 2.92Å; K60-G327 PolarHBondContact NZ-O 2.63Å; K60-N329 WeakPolarHBondContact CB-OD1 3.38Å; K60-N329 PolarHBondContact N-OD1 2.9Å
61	E	94.5	Very high	88.8	Confident	123 Å²	123	70.2 Å²	70.2	58%	0.575	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-26.4	-179.5	-53.9	79.8	-134.2	0	0	113.3	R59 N329	R59-E61 IonicContact CZ-OE2 3.22Å; R59-E61 IonicContact NE-OE2 3.13Å; R59-E61 PolarHBondContact NE-OE2 3.24Å; R59-E61 IonicContact NH2-OE2 3.63Å; R59-E61 PolarHBondContact NH2-OE2 3.09Å; R59-E61 VanDerWaalsContact NH2-OE2 3.13Å; R59-E61 PolarHBondContact O-N 2.83Å; E61-N329 PolarHBondContact OE2-ND2 3.11Å
62	E	93.6	Very high	91.7	Very high	132 Å²	132	62.3 Å²	62.3	62%	0.617	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-49.8	-176.7	-69.6	168.8	170.8	0	0	111.5	R59	R59-E62 HydrophobicContact CB-CB 4.3Å; R59-E62 HydrophobicContact CB-CG 3.93Å; R59-E62 WeakPolarHBondContact CB-OE2 3.24Å; R59-E62 WeakPolarHBondContact CD-OE1 3.46Å; R59-E62 PolarHBondContact N-OE2 2.98Å; R59-E62 PolarHBondContact O-N 3.4Å
63	T	94.9	Very high	93.8	Very high	36 Å²	36	60.1 Å²	60.1	22%	0.221	30%	0.297	C	S	.	.			trans	-147.6	90.4	178.8	174.9	0	0	0	0	110.8	V58 R59 E66 W67	V58-T63 HydrophobicContact CB-CG2 3.58Å; V58-T63 HydrophobicContact CG1-CG2 3.73Å; V58-T63 HydrophobicContact CG2-CG2 3.85Å; R59-T63 PolarHBondContact O-N 2.9Å; R59-T63 VanDerWaalsContact O-N 3.17Å; T63-E66 HydrophobicContact CG2-CB 3.78Å; T63-E66 HydrophobicContact CG2-CG 4.28Å; T63-E66 PolarHBondContact O-N 3.28Å; T63-E66 WeakPolarHBondContact OG1-CG 2.9Å; T63-W67 WeakPolarHBondContact O-CB 3.36Å; T63-W67 PolarHBondContact O-N 3.24Å
64	F	95	Very high	95.1	Very high	26 Å²	26	51.7 Å²	51.7	11%	0.114	27%	0.266	C	S	.	.	H	α-helix	trans	-55.6	-44.9	-178.4	-179.5	-93.3	0	0	0	114.3	K60 E66 W67 Y68 I269 S271 T272 M324 Y533	K60-F64 HydrophobicContact CG-CD2 4.09Å; F64-E66 PolarHBondContact O-N 3.45Å; F64-W67 AromaticContact CD2-CE3 3.93Å; F64-W67 HydrophobicContact CD2-CE3 3.93Å; F64-W67 HydrophobicContact CD2-CZ3 4.22Å; F64-W67 AromaticContact CE2-CE3 3.84Å; F64-W67 HydrophobicContact CE2-CE3 3.84Å; F64-W67 AromaticContact CE2-CZ3 3.67Å; F64-W67 HydrophobicContact CE2-CZ3 3.67Å; F64-W67 HydrophobicContact CZ-CZ3 4.34Å; F64-W67 PolarHBondContact O-N 3.04Å; F64-Y68 VanDerWaalsContact O-CB 3.31Å; F64-Y68 WeakPolarHBondContact O-CB 3.26Å; F64-Y68 PolarHBondContact O-N 3.49Å; F64-I269 HydrophobicContact CZ-CG2 4.38Å; F64-S271 VanDerWaalsContact CD2-OG 3.27Å; F64-S271 WeakPolarHBondContact CD2-OG 3.44Å; F64-S271 WeakPolarHBondContact CE2-OG 3.39Å; F64-T272 HydrophobicContact CB-CG2 4.19Å; F64-T272 HydrophobicContact CD1-CG2 3.37Å; F64-T272 HydrophobicContact CD2-CG2 4.06Å; F64-T272 HydrophobicContact CE1-CG2 3.62Å; F64-T272 HydrophobicContact CE2-CG2 4.27Å; F64-T272 HydrophobicContact CG-CG2 3.58Å; F64-T272 HydrophobicContact CZ-CG2 4.03Å; F64-M324 HydrophobicContact CE1-CG 4.44Å; F64-M324 HydrophobicContact CE1-SD 3.94Å; F64-M324 HydrophobicContact CE2-CB 4.42Å; F64-M324 HydrophobicContact CE2-CG 4.35Å; F64-M324 HydrophobicContact CZ-CB 3.99Å; F64-M324 HydrophobicContact CZ-CG 3.55Å; F64-M324 HydrophobicContact CZ-SD 3.52Å; F64-M324 VanDerWaalsContact CZ-SD 3.52Å; F64-Y533 VanDerWaalsContact CE1-OH 3.3Å; F64-Y533 WeakPolarHBondContact CE1-OH 3.29Å
65	P	94.2	Very high	95.8	Very high	97 Å²	97	50.5 Å²	50.5	63%	0.63	26%	0.26	S	S	*	.	H	α-helix	trans	-63.3	-41.5	-179.2	-23.3	35.6	0	0	0	113.3	S69	P65-S69 WeakPolarHBondContact O-CB 3.48Å; P65-S69 PolarHBondContact O-N 2.88Å
66	E	96	Very high	96.3	Very high	110 Å²	110	51.7 Å²	51.7	51%	0.514	25%	0.254	S	S	.	.	H	α-helix	trans	-71.3	-41.6	177.9	-67.6	179.1	-163.5	0	0	111.3	V58 T63 F64 Y68 S69 Q70	V58-E66 HydrophobicContact CG2-CB 4.04Å; T63-E66 HydrophobicContact CG2-CB 3.78Å; T63-E66 HydrophobicContact CG2-CG 4.28Å; T63-E66 PolarHBondContact O-N 3.28Å; T63-E66 WeakPolarHBondContact OG1-CG 2.9Å; F64-E66 PolarHBondContact O-N 3.45Å; E66-Y68 VanDerWaalsContact C-N 3.35Å; E66-Y68 PolarHBondContact O-N 3.29Å; E66-S69 PolarHBondContact O-N 3.04Å; E66-Q70 WeakPolarHBondContact O-CB 3.47Å; E66-Q70 WeakPolarHBondContact O-CG 3.5Å; E66-Q70 PolarHBondContact O-N 2.74Å
67	W	97.8	Very high	96.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-50.7	172.9	170.6	85.4	0	0	0	110.7	V58 K60 T63 F64 S69 Q70 V71 D328	V58-W67 HydrophobicContact CG2-CB 3.95Å; K60-W67 VanDerWaalsContact CA-CG 3.47Å; K60-W67 HydrophobicContact CB-CD2 3.72Å; K60-W67 HydrophobicContact CB-CE3 4.35Å; K60-W67 HydrophobicContact CB-CG 3.77Å; K60-W67 HydrophobicContact CB-CZ2 4.38Å; K60-W67 HydrophobicContact CD-CD2 4.25Å; K60-W67 HydrophobicContact CD-CE3 4.3Å; K60-W67 HydrophobicContact CD-CH2 3.82Å; K60-W67 HydrophobicContact CD-CZ2 3.72Å; K60-W67 HydrophobicContact CD-CZ3 4.11Å; K60-W67 HydrophobicContact CG-CD2 3.65Å; K60-W67 HydrophobicContact CG-CE3 3.77Å; K60-W67 HydrophobicContact CG-CG 4.19Å; K60-W67 HydrophobicContact CG-CH2 4.22Å; K60-W67 HydrophobicContact CG-CZ2 4.09Å; K60-W67 HydrophobicContact CG-CZ3 4.06Å; T63-W67 WeakPolarHBondContact O-CB 3.36Å; T63-W67 PolarHBondContact O-N 3.24Å; F64-W67 AromaticContact CD2-CE3 3.93Å; F64-W67 HydrophobicContact CD2-CE3 3.93Å; F64-W67 HydrophobicContact CD2-CZ3 4.22Å; F64-W67 AromaticContact CE2-CE3 3.84Å; F64-W67 HydrophobicContact CE2-CE3 3.84Å; F64-W67 AromaticContact CE2-CZ3 3.67Å; F64-W67 HydrophobicContact CE2-CZ3 3.67Å; F64-W67 HydrophobicContact CZ-CZ3 4.34Å; F64-W67 PolarHBondContact O-N 3.04Å; W67-S69 PolarHBondContact O-N 3.34Å; W67-Q70 PolarHBondContact O-N 3.41Å; W67-V71 HydrophobicContact CD2-CG2 4.01Å; W67-V71 VanDerWaalsContact CE2-CG2 3.48Å; W67-V71 HydrophobicContact CG-CG2 4.36Å; W67-V71 HydrophobicContact CH2-CG2 4.41Å; W67-V71 HydrophobicContact CZ2-CG2 3.71Å; W67-V71 WeakPolarHBondContact O-CG2 3.38Å; W67-V71 PolarHBondContact O-N 2.92Å; W67-D328 PolarHBondContact NE1-O 3.37Å
68	Y	97.5	Very high	96.5	Very high	4 Å²	4	44 Å²	44	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-46.1	-178.7	-178	-104.2	0	0	0	111.3	F64 E66 Q70 V71 I72 T199 P200 L202 S320 T323 M324	F64-Y68 VanDerWaalsContact O-CB 3.31Å; F64-Y68 WeakPolarHBondContact O-CB 3.26Å; F64-Y68 PolarHBondContact O-N 3.49Å; E66-Y68 VanDerWaalsContact C-N 3.35Å; E66-Y68 PolarHBondContact O-N 3.29Å; Y68-Q70 VanDerWaalsContact C-N 3.34Å; Y68-Q70 PolarHBondContact O-N 3.05Å; Y68-V71 PolarHBondContact O-N 3.41Å; Y68-I72 HydrophobicContact CD1-CD1 4.14Å; Y68-I72 HydrophobicContact CD2-CG2 4.44Å; Y68-I72 HydrophobicContact CE1-CD1 3.77Å; Y68-I72 HydrophobicContact CE1-CG2 4.3Å; Y68-I72 HydrophobicContact CE2-CG2 3.96Å; Y68-I72 WeakPolarHBondContact O-CG1 3.25Å; Y68-I72 PolarHBondContact O-N 3.17Å; Y68-I72 VanDerWaalsContact O-N 3.11Å; Y68-T199 HydrophobicContact CD1-CG2 4.09Å; Y68-T199 HydrophobicContact CE1-CG2 3.95Å; Y68-P200 PolarHBondContact OH-O 3.33Å; Y68-L202 HydrophobicContact CE1-CD1 4.29Å; Y68-S320 WeakPolarHBondContact OH-CA 3.31Å; Y68-S320 WeakPolarHBondContact OH-CB 3.44Å; Y68-T323 HydrophobicContact CD2-CG2 4.25Å; Y68-T323 HydrophobicContact CE2-CG2 3.81Å; Y68-M324 HydrophobicContact CD2-CG 3.7Å; Y68-M324 HydrophobicContact CE2-CG 3.6Å; Y68-M324 HydrophobicContact CE2-SD 4.44Å
69	S	96.2	Very high	96.6	Very high	35 Å²	35	44.8 Å²	44.8	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-43.4	176.2	-176.8	0	0	0	0	112	P65 E66 W67 I72 T73 Y80	P65-S69 WeakPolarHBondContact O-CB 3.48Å; P65-S69 PolarHBondContact O-N 2.88Å; E66-S69 PolarHBondContact O-N 3.04Å; W67-S69 PolarHBondContact O-N 3.34Å; S69-I72 WeakPolarHBondContact O-CG1 3.48Å; S69-T73 WeakPolarHBondContact O-CB 3.48Å; S69-T73 WeakPolarHBondContact O-CG2 3.34Å; S69-T73 PolarHBondContact O-N 3.43Å; S69-T73 PolarHBondContact O-OG1 3.21Å; S69-Y80 PolarHBondContact OG-OH 3.2Å
70	Q	97.2	Very high	96.5	Very high	23 Å²	23	44.5 Å²	44.5	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-44.6	177.2	-72.9	-170.3	48	0	0	112	L56 E66 W67 Y68 I72 T73 K74	L56-Q70 HydrophobicContact CD2-CB 3.92Å; E66-Q70 WeakPolarHBondContact O-CB 3.47Å; E66-Q70 WeakPolarHBondContact O-CG 3.5Å; E66-Q70 PolarHBondContact O-N 2.74Å; W67-Q70 PolarHBondContact O-N 3.41Å; Y68-Q70 VanDerWaalsContact C-N 3.34Å; Y68-Q70 PolarHBondContact O-N 3.05Å; Q70-I72 PolarHBondContact O-N 3.11Å; Q70-T73 PolarHBondContact O-N 2.71Å; Q70-T73 PolarHBondContact O-OG1 3.21Å; Q70-K74 HydrophobicContact CB-CD 4.3Å; Q70-K74 WeakPolarHBondContact O-CB 3.38Å; Q70-K74 WeakPolarHBondContact O-CG 3.42Å; Q70-K74 PolarHBondContact O-N 3.07Å
71	V	98.1	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-50.8	-179.4	168	0	0	0	0	111	L56 W67 Y68 T73 S75 T323 L332	L56-V71 HydrophobicContact CD1-CG2 3.54Å; L56-V71 HydrophobicContact CD2-CG2 3.85Å; L56-V71 HydrophobicContact CG-CG2 4.37Å; W67-V71 HydrophobicContact CD2-CG2 4.01Å; W67-V71 VanDerWaalsContact CE2-CG2 3.48Å; W67-V71 HydrophobicContact CG-CG2 4.36Å; W67-V71 HydrophobicContact CH2-CG2 4.41Å; W67-V71 HydrophobicContact CZ2-CG2 3.71Å; W67-V71 WeakPolarHBondContact O-CG2 3.38Å; W67-V71 PolarHBondContact O-N 2.92Å; Y68-V71 PolarHBondContact O-N 3.41Å; V71-T73 VanDerWaalsContact C-N 3.35Å; V71-T73 PolarHBondContact O-N 3.43Å; V71-S75 WeakPolarHBondContact O-CB 3.39Å; V71-S75 PolarHBondContact O-N 2.99Å; V71-S75 VanDerWaalsContact O-N 3.08Å; V71-S75 PolarHBondContact O-OG 3.4Å; V71-T323 HydrophobicContact CG1-CG2 3.98Å; V71-L332 HydrophobicContact CG1-CD2 3.39Å; V71-L332 HydrophobicContact CG1-CG 3.9Å
72	I	97.6	Very high	96.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-71.7	-27.4	-176.4	65	-175.9	0	0	0	113.4	Y68 S69 Q70 M77 V78 P200 T323	Y68-I72 HydrophobicContact CD1-CD1 4.14Å; Y68-I72 HydrophobicContact CD2-CG2 4.44Å; Y68-I72 HydrophobicContact CE1-CD1 3.77Å; Y68-I72 HydrophobicContact CE1-CG2 4.3Å; Y68-I72 HydrophobicContact CE2-CG2 3.96Å; Y68-I72 WeakPolarHBondContact O-CG1 3.25Å; Y68-I72 PolarHBondContact O-N 3.17Å; Y68-I72 VanDerWaalsContact O-N 3.11Å; S69-I72 WeakPolarHBondContact O-CG1 3.48Å; Q70-I72 PolarHBondContact O-N 3.11Å; I72-M77 HydrophobicContact CB-CB 4.35Å; I72-M77 WeakPolarHBondContact O-CB 3.13Å; I72-M77 PolarHBondContact O-N 3.35Å; I72-V78 PolarHBondContact O-N 2.72Å; I72-V78 VanDerWaalsContact O-N 3.12Å; I72-P200 HydrophobicContact CD1-CB 3.59Å; I72-P200 HydrophobicContact CD1-CG 3.58Å; I72-T323 HydrophobicContact CG2-CG2 4.14Å
73	T	97.2	Very high	96.3	Very high	42 Å²	42	47.3 Å²	47.3	26%	0.258	24%	0.241	S	C	.	.	H	α-helix	trans	-84.7	-49.8	179	51.7	0	0	0	0	111.8	S69 Q70 V71 S75 E76 Y80	S69-T73 WeakPolarHBondContact O-CB 3.48Å; S69-T73 WeakPolarHBondContact O-CG2 3.34Å; S69-T73 PolarHBondContact O-N 3.43Å; S69-T73 PolarHBondContact O-OG1 3.21Å; Q70-T73 PolarHBondContact O-N 2.71Å; Q70-T73 PolarHBondContact O-OG1 3.21Å; V71-T73 VanDerWaalsContact C-N 3.35Å; V71-T73 PolarHBondContact O-N 3.43Å; T73-S75 VanDerWaalsContact C-N 3.33Å; T73-S75 PolarHBondContact O-N 3.22Å; T73-E76 WeakPolarHBondContact O-CA 3.21Å; T73-E76 PolarHBondContact O-N 3.23Å; T73-Y80 HydrophobicContact CG2-CD2 3.99Å; T73-Y80 HydrophobicContact CG2-CE2 3.6Å
74	K	97.5	Very high	96.2	Very high	48 Å²	48	49 Å²	49	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-69.5	-29.1	-177.6	-65.5	-175.6	168.1	174.1	0	112.5	G55 L56 E57 Q70 E76 L386	G55-K74 PolarHBondContact O-NZ 2.95Å; L56-K74 HydrophobicContact CD2-CD 4.25Å; E57-K74 IonicContact OE1-NZ 3.28Å; E57-K74 PolarHBondContact OE1-NZ 2.82Å; Q70-K74 HydrophobicContact CB-CD 4.3Å; Q70-K74 WeakPolarHBondContact O-CB 3.38Å; Q70-K74 WeakPolarHBondContact O-CG 3.42Å; Q70-K74 PolarHBondContact O-N 3.07Å; K74-E76 PolarHBondContact O-N 2.77Å; K74-L386 HydrophobicContact CB-CD1 4.02Å; K74-L386 HydrophobicContact CB-CD2 4Å; K74-L386 HydrophobicContact CB-CG 4.42Å; K74-L386 WeakPolarHBondContact O-CD2 3.44Å
75	S	97.7	Very high	96	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.9	171.2	66.3	0	0	0	0	114.1	V71 T73 M77 L332 L386 K387	V71-S75 WeakPolarHBondContact O-CB 3.39Å; V71-S75 PolarHBondContact O-N 2.99Å; V71-S75 VanDerWaalsContact O-N 3.08Å; V71-S75 PolarHBondContact O-OG 3.4Å; T73-S75 VanDerWaalsContact C-N 3.33Å; T73-S75 PolarHBondContact O-N 3.22Å; S75-M77 WeakPolarHBondContact OG-CG 3.31Å; S75-L332 VanDerWaalsContact OG-CD1 3.24Å; S75-L332 WeakPolarHBondContact OG-CD1 3.32Å; S75-L386 WeakPolarHBondContact CB-O 3.46Å; S75-K387 PolarHBondContact O-NZ 3.08Å
76	E	97.4	Very high	96	Very high	68 Å²	68	43.9 Å²	43.9	32%	0.318	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	35.3	-179.5	-47	-170.5	112.9	0	0	114.3	T73 K74 R90 W92 K387	T73-E76 WeakPolarHBondContact O-CA 3.21Å; T73-E76 PolarHBondContact O-N 3.23Å; K74-E76 PolarHBondContact O-N 2.77Å; E76-R90 VanDerWaalsContact CB-NH1 3.27Å; E76-R90 VanDerWaalsContact CD-NH2 3.31Å; E76-R90 WeakPolarHBondContact O-CB 3.4Å; E76-R90 IonicContact OE1-CZ 2.64Å; E76-R90 VanDerWaalsContact OE1-CZ 3.28Å; E76-R90 IonicContact OE1-NH1 2.58Å; E76-R90 PolarHBondContact OE1-NH1 2.75Å; E76-R90 IonicContact OE1-NH2 2.78Å; E76-R90 PolarHBondContact OE1-NH2 3.18Å; E76-R90 IonicContact OE2-NH2 2.61Å; E76-W92 WeakPolarHBondContact O-CB 3.35Å; E76-K387 IonicContact OE2-NZ 2.71Å; E76-K387 PolarHBondContact OE2-NZ 3.24Å
77	M	98.4	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-77.5	-41.7	170.4	-67.9	-73	-77.6	0	0	111.3	I72 S75 R90 W92 A93 I96 F201 I319 F322 L332	I72-M77 HydrophobicContact CB-CB 4.35Å; I72-M77 WeakPolarHBondContact O-CB 3.13Å; I72-M77 PolarHBondContact O-N 3.35Å; S75-M77 WeakPolarHBondContact OG-CG 3.31Å; M77-R90 PolarHBondContact O-N 2.71Å; M77-W92 HydrophobicContact SD-CB 4.01Å; M77-W92 HydrophobicContact SD-CG 4.08Å; M77-A93 HydrophobicContact CB-CB 3.97Å; M77-A93 HydrophobicContact CE-CB 3.48Å; M77-A93 VanDerWaalsContact CE-CB 3.48Å; M77-A93 HydrophobicContact CG-CB 4.44Å; M77-A93 VanDerWaalsContact O-CB 3.27Å; M77-A93 WeakPolarHBondContact O-CB 3.17Å; M77-A93 VanDerWaalsContact SD-CA 3.54Å; M77-A93 HydrophobicContact SD-CB 3.63Å; M77-A93 PolarHBondContact SD-N 2.77Å; M77-I96 HydrophobicContact CE-CD1 3.59Å; M77-I96 HydrophobicContact SD-CD1 4.02Å; M77-F201 HydrophobicContact CB-CE2 4.33Å; M77-I319 HydrophobicContact CE-CG2 3.25Å; M77-F322 HydrophobicContact CE-CZ 4.43Å; M77-L332 HydrophobicContact CG-CD1 3.67Å; M77-L332 HydrophobicContact SD-CD1 4.01Å
78	V	97.5	Very high	96.1	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	149	-176.5	152.3	0	0	0	0	111.6	I72 Y87 V88 P200 F201	I72-V78 PolarHBondContact O-N 2.72Å; I72-V78 VanDerWaalsContact O-N 3.12Å; V78-Y87 HydrophobicContact CG1-CD1 3.98Å; V78-Y87 HydrophobicContact CG1-CG 4.27Å; V78-V88 CarbonylContact C-O 3.57Å; V78-V88 WeakPolarHBondContact CA-O 3.35Å; V78-P200 HydrophobicContact CG1-CB 4.3Å; V78-P200 HydrophobicContact CG1-CG 4.4Å; V78-F201 HydrophobicContact CB-CE2 4.42Å; V78-F201 HydrophobicContact CG2-CD2 4.32Å; V78-F201 HydrophobicContact CG2-CE1 4.08Å; V78-F201 HydrophobicContact CG2-CE2 3.43Å; V78-F201 VanDerWaalsContact CG2-CE2 3.43Å; V78-F201 HydrophobicContact CG2-CZ 3.29Å
79	A	97.1	Very high	96.1	Very high	38 Å²	38	45.7 Å²	45.7	31%	0.314	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.4	157.9	0	0	0	0	0	110.8	V88	A79-V88 HydrophobicContact CB-CB 4.24Å; A79-V88 PolarHBondContact N-O 2.79Å; A79-V88 PolarHBondContact O-N 2.81Å
80	Y	94.8	Very high	96.2	Very high	124 Å²	124	47.9 Å²	47.9	49%	0.486	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	135.3	173.3	-74.8	-95.3	0	0	0	110	S69 T73 Y87	S69-Y80 PolarHBondContact OG-OH 3.2Å; T73-Y80 HydrophobicContact CG2-CD2 3.99Å; T73-Y80 HydrophobicContact CG2-CE2 3.6Å; Y80-Y87 HydrophobicContact CD1-CD1 4.14Å; Y80-Y87 AromaticContact CD1-CE1 3.62Å; Y80-Y87 HydrophobicContact CD1-CE1 3.62Å; Y80-Y87 HydrophobicContact CE1-CD1 4.46Å; Y80-Y87 AromaticContact CE1-CE1 3.67Å; Y80-Y87 HydrophobicContact CE1-CE1 3.67Å; Y80-Y87 HydrophobicContact CG-CE1 4.43Å
81	Y	94.5	Very high	96.3	Very high	129 Å²	129	51 Å²	51	51%	0.506	26%	0.262	S	S	.	.			trans	-93	167.1	174.1	-163.2	-124.7	0	0	0	110.7	I83 C86 V88	Y81-I83 VanDerWaalsContact C-N 3.32Å; Y81-I83 HydrophobicContact CD1-CB 3.93Å; Y81-I83 HydrophobicContact CD1-CD1 4.46Å; Y81-I83 HydrophobicContact CD1-CG1 4.11Å; Y81-I83 HydrophobicContact CE1-CB 4.25Å; Y81-I83 HydrophobicContact CE1-CD1 3.93Å; Y81-I83 HydrophobicContact CE1-CG1 3.94Å; Y81-C86 VanDerWaalsContact CB-O 3.23Å; Y81-C86 WeakPolarHBondContact CB-O 3.24Å; Y81-C86 HydrophobicContact CD1-CB 3.84Å; Y81-C86 HydrophobicContact CG-CB 4.47Å; Y81-C86 PolarHBondContact N-O 3.49Å; Y81-V88 HydrophobicContact CD2-CG2 4.18Å
82	D	94	Very high	96.3	Very high	133 Å²	133	51.9 Å²	51.9	71%	0.711	27%	0.266	S	S	*	.	S	Bend	trans	-71.9	-27.7	179.6	66.2	-25.5	0	0	0	112.5
83	I	92.4	Very high	96.3	Very high	78 Å²	78	51.9 Å²	51.9	40%	0.4	27%	0.266	S	S	.	.	S	Bend	trans	-84	117.4	169.3	-54.5	176.1	0	0	0	109.7	Y81 G85 C86	Y81-I83 VanDerWaalsContact C-N 3.32Å; Y81-I83 HydrophobicContact CD1-CB 3.93Å; Y81-I83 HydrophobicContact CD1-CD1 4.46Å; Y81-I83 HydrophobicContact CD1-CG1 4.11Å; Y81-I83 HydrophobicContact CE1-CB 4.25Å; Y81-I83 HydrophobicContact CE1-CD1 3.93Å; Y81-I83 HydrophobicContact CE1-CG1 3.94Å; I83-G85 PolarHBondContact O-N 3.18Å; I83-C86 HydrophobicContact CB-CB 4.27Å; I83-C86 WeakPolarHBondContact O-CB 3.44Å; I83-C86 PolarHBondContact O-N 2.81Å; I83-C86 VanDerWaalsContact O-N 3.08Å
84	S	91.2	Very high	96.4	Very high	70 Å²	70	54.5 Å²	54.5	49%	0.49	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	133.1	176.7	-175.7	0	0	0	0	111.8	C86 R205	S84-C86 VanDerWaalsContact C-N 3.26Å; S84-C86 PolarHBondContact O-N 2.85Å; S84-R205 VanDerWaalsContact O-CD 3.29Å; S84-R205 WeakPolarHBondContact O-CD 3.35Å; S84-R205 PolarHBondContact O-NH1 2.85Å
85	G	91.9	Very high	96.5	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.021	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-3.8	-179.2	0	0	0	0	0	115.3	I83 Y87 T204 R205	I83-G85 PolarHBondContact O-N 3.18Å; G85-Y87 VanDerWaalsContact C-CE2 3.47Å; G85-Y87 VanDerWaalsContact O-CE2 3.27Å; G85-Y87 WeakPolarHBondContact O-CE2 3.36Å; G85-T204 WeakPolarHBondContact O-CB 3.35Å; G85-R205 PolarHBondContact O-N 3.47Å
86	C	95	Very high	96.5	Very high	15 Å²	15	53.8 Å²	53.8	10%	0.101	27%	0.268	C	S	.	.			trans	-101.4	147.2	167	-62.7	0	0	0	0	109.4	Y81 I83 S84	Y81-C86 VanDerWaalsContact CB-O 3.23Å; Y81-C86 WeakPolarHBondContact CB-O 3.24Å; Y81-C86 HydrophobicContact CD1-CB 3.84Å; Y81-C86 HydrophobicContact CG-CB 4.47Å; Y81-C86 PolarHBondContact N-O 3.49Å; I83-C86 HydrophobicContact CB-CB 4.27Å; I83-C86 WeakPolarHBondContact O-CB 3.44Å; I83-C86 PolarHBondContact O-N 2.81Å; I83-C86 VanDerWaalsContact O-N 3.08Å; S84-C86 VanDerWaalsContact C-N 3.26Å; S84-C86 PolarHBondContact O-N 2.85Å
87	Y	96.2	Very high	96.6	Very high	37 Å²	37	50.7 Å²	50.7	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.9	-172.4	-56.7	-78.2	0	0	0	110.7	V78 Y80 G85 I89 P198 P200 T204	V78-Y87 HydrophobicContact CG1-CD1 3.98Å; V78-Y87 HydrophobicContact CG1-CG 4.27Å; Y80-Y87 HydrophobicContact CD1-CD1 4.14Å; Y80-Y87 AromaticContact CD1-CE1 3.62Å; Y80-Y87 HydrophobicContact CD1-CE1 3.62Å; Y80-Y87 HydrophobicContact CE1-CD1 4.46Å; Y80-Y87 AromaticContact CE1-CE1 3.67Å; Y80-Y87 HydrophobicContact CE1-CE1 3.67Å; Y80-Y87 HydrophobicContact CG-CE1 4.43Å; G85-Y87 VanDerWaalsContact C-CE2 3.47Å; G85-Y87 VanDerWaalsContact O-CE2 3.27Å; G85-Y87 WeakPolarHBondContact O-CE2 3.36Å; Y87-I89 PolarHBondContact O-N 3.35Å; Y87-P198 WeakPolarHBondContact OH-CB 3.5Å; Y87-P198 PolarHBondContact OH-O 3.02Å; Y87-P200 HydrophobicContact CD1-CB 4.31Å; Y87-P200 HydrophobicContact CD1-CG 3.85Å; Y87-P200 HydrophobicContact CD2-CB 4.45Å; Y87-P200 HydrophobicContact CE1-CB 4.31Å; Y87-P200 HydrophobicContact CE1-CG 3.51Å; Y87-P200 HydrophobicContact CE2-CB 4.44Å; Y87-P200 HydrophobicContact CE2-CG 4.31Å; Y87-P200 HydrophobicContact CG-CB 4.38Å; Y87-P200 HydrophobicContact CG-CG 4.38Å; Y87-T204 HydrophobicContact CD2-CG2 3.61Å; Y87-T204 HydrophobicContact CE2-CG2 3.37Å
88	V	98.1	Very high	96.6	Very high	71 Å²	71	54.7 Å²	54.7	43%	0.43	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.4	170.3	-178.4	0	0	0	0	108.1	V78 A79 Y81 R90	V78-V88 CarbonylContact C-O 3.57Å; V78-V88 WeakPolarHBondContact CA-O 3.35Å; A79-V88 HydrophobicContact CB-CB 4.24Å; A79-V88 PolarHBondContact N-O 2.79Å; A79-V88 PolarHBondContact O-N 2.81Å; Y81-V88 HydrophobicContact CD2-CG2 4.18Å; V88-R90 PolarHBondContact O-N 3.41Å
89	I	98.3	Very high	96.6	Very high	43 Å²	43	56.7 Å²	56.7	22%	0.221	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	110.6	170.7	-56.1	178.2	0	0	0	107.4	Y87 A93 Y94 F201 L208 T316	Y87-I89 PolarHBondContact O-N 3.35Å; I89-A93 HydrophobicContact CG2-CB 3.66Å; I89-Y94 HydrophobicContact CG2-CD2 4.28Å; I89-F201 HydrophobicContact CD1-CE1 4.13Å; I89-F201 HydrophobicContact CG1-CE1 4.06Å; I89-F201 HydrophobicContact CG2-CE1 4.39Å; I89-F201 HydrophobicContact CG2-CZ 4.46Å; I89-L208 HydrophobicContact CD1-CD1 3.8Å; I89-L208 HydrophobicContact CD1-CG 3.96Å; I89-T316 HydrophobicContact CD1-CG2 4.29Å
90	R	98.5	Very high	96.7	Very high	82 Å²	82	54.9 Å²	54.9	31%	0.309	27%	0.267	S	S	.	.			trans	-80.4	165	-175.6	-68.2	-174.3	72.8	-174.7	-6.6	110.8	E76 M77 V88 W92 A93 Y94	E76-R90 VanDerWaalsContact CB-NH1 3.27Å; E76-R90 VanDerWaalsContact CD-NH2 3.31Å; E76-R90 WeakPolarHBondContact O-CB 3.4Å; E76-R90 IonicContact OE1-CZ 2.64Å; E76-R90 VanDerWaalsContact OE1-CZ 3.28Å; E76-R90 IonicContact OE1-NH1 2.58Å; E76-R90 PolarHBondContact OE1-NH1 2.75Å; E76-R90 IonicContact OE1-NH2 2.78Å; E76-R90 PolarHBondContact OE1-NH2 3.18Å; E76-R90 IonicContact OE2-NH2 2.61Å; M77-R90 PolarHBondContact O-N 2.71Å; V88-R90 PolarHBondContact O-N 3.41Å; R90-W92 PolarHBondContact O-N 2.91Å; R90-A93 PolarHBondContact O-N 2.93Å; R90-Y94 PolarHBondContact O-N 3.45Å
91	P	98.5	Very high	96.9	Very high	87 Å²	87	51.1 Å²	51.1	57%	0.565	25%	0.253	S	S	*	.	H	α-helix	trans	-55	-24	-175.7	-29.6	36.3	0	0	0	115.8	F95	P91-F95 WeakPolarHBondContact O-CB 3.42Å; P91-F95 PolarHBondContact O-N 3.31Å
92	W	98	Very high	97.1	Very high	20 Å²	20	50.8 Å²	50.8	8%	0.076	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-48.9	177.2	-151.3	-116.5	0	0	0	111.5	E76 M77 R90 L334 K340 V341 W384 K387 V389	E76-W92 WeakPolarHBondContact O-CB 3.35Å; M77-W92 HydrophobicContact SD-CB 4.01Å; M77-W92 HydrophobicContact SD-CG 4.08Å; R90-W92 PolarHBondContact O-N 2.91Å; W92-L334 HydrophobicContact CZ2-CD1 4.11Å; W92-K340 HydrophobicContact CE3-CB 4.19Å; W92-K340 HydrophobicContact CE3-CD 3.94Å; W92-K340 HydrophobicContact CH2-CB 4.46Å; W92-K340 HydrophobicContact CZ3-CB 4.1Å; W92-K340 HydrophobicContact CZ3-CD 4.07Å; W92-K340 HydrophobicContact CZ3-CG 4.33Å; W92-V341 HydrophobicContact CH2-CB 3.88Å; W92-V341 HydrophobicContact CH2-CG2 3.78Å; W92-V341 HydrophobicContact CZ3-CG2 4.01Å; W92-W384 AromaticContact CH2-CZ3 3.93Å; W92-W384 HydrophobicContact CH2-CZ3 3.93Å; W92-W384 HydrophobicContact CZ3-CZ3 4.48Å; W92-K387 HydrophobicContact CZ2-CB 4Å; W92-K387 PolarHBondContact NE1-O 2.97Å; W92-V389 HydrophobicContact CH2-CG2 3.99Å; W92-V389 HydrophobicContact CZ2-CG2 3.89Å
93	A	98.6	Very high	97.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-75.9	-37.2	177.5	0	0	0	0	0	112.6	M77 I89 R90 F95 I96 W97 F201 I319	M77-A93 HydrophobicContact CB-CB 3.97Å; M77-A93 HydrophobicContact CE-CB 3.48Å; M77-A93 VanDerWaalsContact CE-CB 3.48Å; M77-A93 HydrophobicContact CG-CB 4.44Å; M77-A93 VanDerWaalsContact O-CB 3.27Å; M77-A93 WeakPolarHBondContact O-CB 3.17Å; M77-A93 VanDerWaalsContact SD-CA 3.54Å; M77-A93 HydrophobicContact SD-CB 3.63Å; M77-A93 PolarHBondContact SD-N 2.77Å; I89-A93 HydrophobicContact CG2-CB 3.66Å; R90-A93 PolarHBondContact O-N 2.93Å; A93-F95 VanDerWaalsContact C-N 3.31Å; A93-F95 PolarHBondContact O-N 2.97Å; A93-I96 WeakPolarHBondContact O-CB 3.39Å; A93-I96 PolarHBondContact O-N 3.31Å; A93-I96 VanDerWaalsContact O-N 3.17Å; A93-W97 PolarHBondContact O-N 3.29Å; A93-W97 VanDerWaalsContact O-N 3.12Å; A93-F201 HydrophobicContact CB-CZ 3.78Å; A93-I319 HydrophobicContact CB-CD1 4.4Å
94	Y	98.7	Very high	97.6	Very high	96 Å²	96	42.7 Å²	42.7	38%	0.376	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-39	-179.6	-163.2	-96	0	0	0	111.4	I89 R90 I96 W97 E98 L208	I89-Y94 HydrophobicContact CG2-CD2 4.28Å; R90-Y94 PolarHBondContact O-N 3.45Å; Y94-I96 VanDerWaalsContact C-N 3.29Å; Y94-I96 PolarHBondContact O-N 3.21Å; Y94-W97 CarbonylContact O-C 3.51Å; Y94-W97 WeakPolarHBondContact O-CA 3.35Å; Y94-W97 WeakPolarHBondContact O-CB 3.35Å; Y94-W97 PolarHBondContact O-N 2.99Å; Y94-W97 VanDerWaalsContact O-N 3.07Å; Y94-E98 HydrophobicContact CD1-CG 3.81Å; Y94-E98 HydrophobicContact CE1-CG 3.68Å; Y94-E98 WeakPolarHBondContact CE1-OE1 3.37Å; Y94-E98 WeakPolarHBondContact O-CG 3.4Å; Y94-E98 PolarHBondContact O-N 2.92Å; Y94-L208 HydrophobicContact CD2-CD1 4.3Å; Y94-L208 HydrophobicContact CE2-CD1 3.93Å
95	F	98.8	Very high	98	Very high	34 Å²	34	40.4 Å²	40.4	15%	0.149	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-41.4	173.4	179.8	-87.3	0	0	0	112.5	P91 A93 W97 E98 Q99 V338 K340	P91-F95 WeakPolarHBondContact O-CB 3.42Å; P91-F95 PolarHBondContact O-N 3.31Å; A93-F95 VanDerWaalsContact C-N 3.31Å; A93-F95 PolarHBondContact O-N 2.97Å; F95-W97 VanDerWaalsContact C-N 3.3Å; F95-W97 PolarHBondContact O-N 3.18Å; F95-E98 WeakPolarHBondContact CA-OE2 3.47Å; F95-E98 WeakPolarHBondContact O-CB 3.48Å; F95-E98 PolarHBondContact O-N 3.44Å; F95-Q99 HydrophobicContact CD1-CG 3.92Å; F95-Q99 HydrophobicContact CE1-CG 3.39Å; F95-Q99 HydrophobicContact CZ-CG 3.86Å; F95-Q99 VanDerWaalsContact CZ-NE2 3.3Å; F95-Q99 WeakPolarHBondContact O-CG 3.32Å; F95-Q99 PolarHBondContact O-N 3.41Å; F95-V338 WeakPolarHBondContact CD1-O 3.35Å; F95-K340 HydrophobicContact CB-CB 4.04Å; F95-K340 HydrophobicContact CB-CD 4.1Å; F95-K340 HydrophobicContact CB-CG 4.18Å; F95-K340 HydrophobicContact CD1-CB 3.53Å; F95-K340 HydrophobicContact CD1-CG 4.12Å; F95-K340 HydrophobicContact CD2-CB 4.29Å; F95-K340 HydrophobicContact CD2-CD 4.43Å; F95-K340 HydrophobicContact CD2-CG 3.95Å; F95-K340 HydrophobicContact CE1-CB 4.06Å; F95-K340 HydrophobicContact CE2-CG 4.38Å; F95-K340 HydrophobicContact CG-CB 3.67Å; F95-K340 HydrophobicContact CG-CD 4.24Å; F95-K340 HydrophobicContact CG-CG 3.79Å
96	I	98.8	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-42.7	176.6	-68.3	155.6	0	0	0	110.3	M77 A93 Y94 E98 Q99 I100 I319 F322 L334 V338	M77-I96 HydrophobicContact CE-CD1 3.59Å; M77-I96 HydrophobicContact SD-CD1 4.02Å; A93-I96 WeakPolarHBondContact O-CB 3.39Å; A93-I96 PolarHBondContact O-N 3.31Å; A93-I96 VanDerWaalsContact O-N 3.17Å; Y94-I96 VanDerWaalsContact C-N 3.29Å; Y94-I96 PolarHBondContact O-N 3.21Å; I96-E98 VanDerWaalsContact C-N 3.34Å; I96-E98 PolarHBondContact O-N 3.45Å; I96-Q99 PolarHBondContact O-N 3.05Å; I96-I100 HydrophobicContact CG2-CD1 4.15Å; I96-I100 WeakPolarHBondContact O-CG1 3.24Å; I96-I100 PolarHBondContact O-N 3.47Å; I96-I319 HydrophobicContact CG2-CD1 4.45Å; I96-I319 HydrophobicContact CG2-CG1 4.05Å; I96-F322 HydrophobicContact CD1-CE1 4.31Å; I96-F322 HydrophobicContact CD1-CZ 3.9Å; I96-F322 HydrophobicContact CG2-CE1 4.04Å; I96-L334 HydrophobicContact CD1-CD2 3.92Å; I96-V338 HydrophobicContact CB-CB 4.5Å; I96-V338 HydrophobicContact CG1-CB 4.22Å; I96-V338 HydrophobicContact CG1-CG2 4.28Å; I96-V338 WeakPolarHBondContact CG1-O 3.43Å; I96-V338 HydrophobicContact CG2-CB 4.04Å; I96-V338 HydrophobicContact CG2-CG2 4.16Å
97	W	98.7	Very high	98.5	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.011	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-41.1	174.4	-174.6	-116.6	0	0	0	112.2	A93 Y94 F95 Q99 I100 Q101 W187 L208 L314 T316 I319	A93-W97 PolarHBondContact O-N 3.29Å; A93-W97 VanDerWaalsContact O-N 3.12Å; Y94-W97 CarbonylContact O-C 3.51Å; Y94-W97 WeakPolarHBondContact O-CA 3.35Å; Y94-W97 WeakPolarHBondContact O-CB 3.35Å; Y94-W97 PolarHBondContact O-N 2.99Å; Y94-W97 VanDerWaalsContact O-N 3.07Å; F95-W97 VanDerWaalsContact C-N 3.3Å; F95-W97 PolarHBondContact O-N 3.18Å; W97-Q99 VanDerWaalsContact C-N 3.32Å; W97-Q99 PolarHBondContact O-N 3.37Å; W97-I100 HydrophobicContact CE3-CB 4.45Å; W97-I100 HydrophobicContact CE3-CD1 4.28Å; W97-I100 HydrophobicContact CE3-CG2 4.44Å; W97-I100 HydrophobicContact CZ3-CG2 4.28Å; W97-I100 PolarHBondContact O-N 2.84Å; W97-Q101 WeakPolarHBondContact O-CB 3.34Å; W97-Q101 WeakPolarHBondContact O-CG 3.42Å; W97-Q101 PolarHBondContact O-N 2.92Å; W97-W187 HydrophobicContact CH2-CE3 4.23Å; W97-W187 AromaticContact CH2-CZ3 3.62Å; W97-W187 HydrophobicContact CH2-CZ3 3.62Å; W97-W187 AromaticContact CZ2-CE3 3.6Å; W97-W187 HydrophobicContact CZ2-CE3 3.6Å; W97-W187 AromaticContact CZ2-CZ3 3.41Å; W97-W187 HydrophobicContact CZ2-CZ3 3.41Å; W97-W187 VanDerWaalsContact CZ2-CZ3 3.41Å; W97-W187 HydrophobicContact CZ3-CZ3 4.4Å; W97-L208 HydrophobicContact CG-CD1 4.24Å; W97-L208 HydrophobicContact CZ2-CB 3.97Å; W97-L314 HydrophobicContact CZ3-CD1 4.4Å; W97-T316 HydrophobicContact CD2-CG2 3.8Å; W97-T316 HydrophobicContact CE3-CG2 3.83Å; W97-T316 HydrophobicContact CG-CG2 4.23Å; W97-T316 HydrophobicContact CZ3-CG2 4.22Å; W97-I319 HydrophobicContact CB-CD1 4.39Å
98	E	98.7	Very high	98.6	Very high	83 Å²	83	43 Å²	43	39%	0.388	21%	0.205	S	C	.	.	H	α-helix	trans	-62.1	-36.3	174.2	-69.5	175.8	131.3	0	0	112.4	Y94 F95 I96 Q101 K102	Y94-E98 HydrophobicContact CD1-CG 3.81Å; Y94-E98 HydrophobicContact CE1-CG 3.68Å; Y94-E98 WeakPolarHBondContact CE1-OE1 3.37Å; Y94-E98 WeakPolarHBondContact O-CG 3.4Å; Y94-E98 PolarHBondContact O-N 2.92Å; F95-E98 WeakPolarHBondContact CA-OE2 3.47Å; F95-E98 WeakPolarHBondContact O-CB 3.48Å; F95-E98 PolarHBondContact O-N 3.44Å; I96-E98 VanDerWaalsContact C-N 3.34Å; I96-E98 PolarHBondContact O-N 3.45Å; E98-Q101 PolarHBondContact O-N 3.46Å; E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.29Å; E98-K102 PolarHBondContact O-N 3.37Å
99	Q	98.8	Very high	98.6	Very high	46 Å²	46	44.3 Å²	44.3	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-42.3	175.3	-64	-46.6	-73.9	0	0	112	F95 I96 W97 W103 V338	F95-Q99 HydrophobicContact CD1-CG 3.92Å; F95-Q99 HydrophobicContact CE1-CG 3.39Å; F95-Q99 HydrophobicContact CZ-CG 3.86Å; F95-Q99 VanDerWaalsContact CZ-NE2 3.3Å; F95-Q99 WeakPolarHBondContact O-CG 3.32Å; F95-Q99 PolarHBondContact O-N 3.41Å; I96-Q99 PolarHBondContact O-N 3.05Å; W97-Q99 VanDerWaalsContact C-N 3.32Å; W97-Q99 PolarHBondContact O-N 3.37Å; Q99-W103 WeakPolarHBondContact O-CB 3.49Å; Q99-W103 PolarHBondContact O-N 2.82Å; Q99-V338 HydrophobicContact CB-CB 4.46Å; Q99-V338 HydrophobicContact CB-CG1 4.17Å
100	I	98.8	Very high	98.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-46.7	174.7	-66.7	166.1	0	0	0	109.8	I96 W97 F104 V236 L241 L314 T318	I96-I100 HydrophobicContact CG2-CD1 4.15Å; I96-I100 WeakPolarHBondContact O-CG1 3.24Å; I96-I100 PolarHBondContact O-N 3.47Å; W97-I100 HydrophobicContact CE3-CB 4.45Å; W97-I100 HydrophobicContact CE3-CD1 4.28Å; W97-I100 HydrophobicContact CE3-CG2 4.44Å; W97-I100 HydrophobicContact CZ3-CG2 4.28Å; W97-I100 PolarHBondContact O-N 2.84Å; I100-F104 VanDerWaalsContact O-CB 3.25Å; I100-F104 WeakPolarHBondContact O-CB 3.32Å; I100-F104 PolarHBondContact O-N 3.32Å; I100-V236 HydrophobicContact CG1-CG1 4.4Å; I100-V236 HydrophobicContact CG2-CG1 4.02Å; I100-L241 HydrophobicContact CD1-CD2 4.31Å; I100-L314 HydrophobicContact CG2-CD1 3.79Å; I100-T318 HydrophobicContact CD1-CG2 4.38Å
101	Q	98.6	Very high	98.6	Very high	44 Å²	44	48 Å²	48	21%	0.206	23%	0.226	C	C	.	.	H	α-helix	trans	-54	-57.5	175.8	-83.5	-176.1	-16.8	0	0	111.4	W97 E98 W103 F104 D105 W187	W97-Q101 WeakPolarHBondContact O-CB 3.34Å; W97-Q101 WeakPolarHBondContact O-CG 3.42Å; W97-Q101 PolarHBondContact O-N 2.92Å; E98-Q101 PolarHBondContact O-N 3.46Å; Q101-W103 PolarHBondContact O-N 3.21Å; Q101-F104 PolarHBondContact O-N 3.28Å; Q101-D105 WeakPolarHBondContact O-CB 3.33Å; Q101-D105 PolarHBondContact O-N 2.82Å; Q101-W187 HydrophobicContact CB-CH2 4.07Å; Q101-W187 HydrophobicContact CB-CZ2 4.14Å; Q101-W187 HydrophobicContact CB-CZ3 4.28Å; Q101-W187 HydrophobicContact CG-CD2 3.79Å; Q101-W187 HydrophobicContact CG-CE3 3.44Å; Q101-W187 VanDerWaalsContact CG-CE3 3.44Å; Q101-W187 HydrophobicContact CG-CH2 3.52Å; Q101-W187 HydrophobicContact CG-CZ2 3.86Å; Q101-W187 HydrophobicContact CG-CZ3 3.25Å; Q101-W187 VanDerWaalsContact NE2-CE3 3.32Å
102	K	98.6	Very high	98.6	Very high	122 Å²	122	46.2 Å²	46.2	53%	0.53	22%	0.224	S	C	.	.	H	α-helix	trans	-55.2	-52.2	-177.7	176	170.9	171.1	43.5	0	111.7	E98 D106	E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.29Å; E98-K102 PolarHBondContact O-N 3.37Å; K102-D106 IonicContact NZ-OD2 3.71Å; K102-D106 PolarHBondContact NZ-OD2 3.02Å; K102-D106 VanDerWaalsContact NZ-OD2 3.09Å; K102-D106 WeakPolarHBondContact O-CB 3.47Å; K102-D106 PolarHBondContact O-N 3.21Å; K102-D106 VanDerWaalsContact O-N 3.08Å
103	W	98.7	Very high	98.7	Very high	42 Å²	42	45.4 Å²	45.4	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-47.2	-177.3	-178.5	93.4	0	0	0	111.6	Q99 Q101 D105 D106 E107 R235 V236 L240	Q99-W103 WeakPolarHBondContact O-CB 3.49Å; Q99-W103 PolarHBondContact O-N 2.82Å; Q101-W103 PolarHBondContact O-N 3.21Å; W103-D105 PolarHBondContact O-N 3.32Å; W103-D106 PolarHBondContact O-N 2.68Å; W103-E107 HydrophobicContact CD2-CG 4.26Å; W103-E107 HydrophobicContact CE3-CG 4.22Å; W103-E107 HydrophobicContact CH2-CG 3.9Å; W103-E107 HydrophobicContact CZ2-CG 4.03Å; W103-E107 HydrophobicContact CZ3-CG 4.01Å; W103-E107 WeakPolarHBondContact O-CG 3.44Å; W103-E107 PolarHBondContact O-N 3.43Å; W103-R235 HydrophobicContact CH2-CB 3.45Å; W103-R235 VanDerWaalsContact CH2-CB 3.45Å; W103-R235 HydrophobicContact CZ2-CB 3.86Å; W103-R235 HydrophobicContact CZ3-CB 4.49Å; W103-V236 HydrophobicContact CE3-CG2 3.66Å; W103-V236 HydrophobicContact CH2-CG2 4.41Å; W103-V236 HydrophobicContact CZ3-CB 4.46Å; W103-V236 HydrophobicContact CZ3-CG2 3.41Å; W103-V236 VanDerWaalsContact CZ3-CG2 3.41Å; W103-L240 HydrophobicContact CB-CD1 3.67Å; W103-L240 HydrophobicContact CB-CD2 4.4Å; W103-L240 HydrophobicContact CD2-CD1 3.79Å; W103-L240 HydrophobicContact CD2-CD2 4.42Å; W103-L240 HydrophobicContact CD2-CG 4.23Å; W103-L240 HydrophobicContact CE3-CD1 4.06Å; W103-L240 HydrophobicContact CG-CD1 3.62Å; W103-L240 HydrophobicContact CG-CD2 3.93Å; W103-L240 HydrophobicContact CG-CG 4.14Å
104	F	98.8	Very high	98.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.3	-37.1	-177.1	-172.5	-103	0	0	0	111.9	I100 Q101 D106 E107 I108 W187 Q210 L232 Y233 V236 W312 L314	I100-F104 VanDerWaalsContact O-CB 3.25Å; I100-F104 WeakPolarHBondContact O-CB 3.32Å; I100-F104 PolarHBondContact O-N 3.32Å; Q101-F104 PolarHBondContact O-N 3.28Å; F104-D106 VanDerWaalsContact C-N 3.34Å; F104-D106 PolarHBondContact O-N 3.17Å; F104-E107 PolarHBondContact O-N 2.69Å; F104-I108 HydrophobicContact CD1-CD1 4.12Å; F104-I108 HydrophobicContact CD1-CG2 3.99Å; F104-I108 HydrophobicContact CD2-CG2 4.42Å; F104-I108 HydrophobicContact CE1-CD1 3.99Å; F104-I108 HydrophobicContact CE1-CG2 3.48Å; F104-I108 VanDerWaalsContact CE1-CG2 3.48Å; F104-I108 HydrophobicContact CE2-CG2 3.96Å; F104-I108 HydrophobicContact CG-CG2 4.44Å; F104-I108 HydrophobicContact CZ-CG2 3.44Å; F104-I108 VanDerWaalsContact CZ-CG2 3.44Å; F104-I108 WeakPolarHBondContact O-CG1 3.49Å; F104-I108 PolarHBondContact O-N 2.73Å; F104-W187 HydrophobicContact CB-CH2 4.45Å; F104-W187 HydrophobicContact CB-CZ2 4.44Å; F104-W187 HydrophobicContact CD1-CH2 4.2Å; F104-W187 AromaticContact CD1-CZ2 3.97Å; F104-W187 HydrophobicContact CD1-CZ2 3.97Å; F104-Q210 HydrophobicContact CD1-CG 4.09Å; F104-Q210 VanDerWaalsContact CE1-CD 3.48Å; F104-Q210 HydrophobicContact CE1-CG 3.94Å; F104-Q210 VanDerWaalsContact CE1-OE1 3.3Å; F104-L232 HydrophobicContact CD2-CB 4.26Å; F104-L232 HydrophobicContact CE2-CB 3.73Å; F104-L232 HydrophobicContact CE2-CD1 4.24Å; F104-Y233 HydrophobicContact CD2-CD1 4.27Å; F104-Y233 HydrophobicContact CD2-CE1 4.26Å; F104-Y233 HydrophobicContact CE1-CE1 4.03Å; F104-Y233 AromaticContact CE2-CD1 3.55Å; F104-Y233 HydrophobicContact CE2-CD1 3.55Å; F104-Y233 AromaticContact CE2-CE1 3.38Å; F104-Y233 HydrophobicContact CE2-CE1 3.38Å; F104-Y233 AromaticContact CZ-CD1 3.94Å; F104-Y233 HydrophobicContact CZ-CD1 3.94Å; F104-Y233 AromaticContact CZ-CE1 3.25Å; F104-Y233 HydrophobicContact CZ-CE1 3.25Å; F104-Y233 AromaticContact CZ-CZ 3.98Å; F104-V236 HydrophobicContact CD2-CG2 4.05Å; F104-W312 AromaticContact CE1-CZ3 3.82Å; F104-W312 HydrophobicContact CE1-CZ3 3.82Å; F104-W312 HydrophobicContact CZ-CE3 4.35Å; F104-W312 AromaticContact CZ-CZ3 3.93Å; F104-W312 HydrophobicContact CZ-CZ3 3.93Å; F104-L314 HydrophobicContact CD1-CD2 4.41Å; F104-L314 HydrophobicContact CE1-CD2 4.39Å
105	D	98.6	Very high	98.7	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.112	25%	0.245	C	C	.	.	H	α-helix	trans	-57.8	-46.1	172.2	-107.4	24.1	0	0	0	112	Q101 W103 E107 K109 N115 W187	Q101-D105 WeakPolarHBondContact O-CB 3.33Å; Q101-D105 PolarHBondContact O-N 2.82Å; W103-D105 PolarHBondContact O-N 3.32Å; D105-E107 PolarHBondContact O-N 3.44Å; D105-K109 VanDerWaalsContact O-CB 3.31Å; D105-K109 WeakPolarHBondContact O-CB 3.32Å; D105-K109 WeakPolarHBondContact O-CD 3.42Å; D105-K109 WeakPolarHBondContact O-CG 3.48Å; D105-K109 PolarHBondContact O-N 3.22Å; D105-K109 VanDerWaalsContact O-N 3.07Å; D105-K109 IonicContact OD2-NZ 3.26Å; D105-K109 PolarHBondContact OD2-NZ 3.49Å; D105-N115 PolarHBondContact OD1-ND2 3.31Å; D105-N115 PolarHBondContact OD1-OD1 2.83Å; D105-N115 PolarHBondContact OD2-ND2 3.03Å; D105-W187 PolarHBondContact OD1-NE1 2.75Å
106	D	98.7	Very high	98.6	Very high	72 Å²	72	48 Å²	48	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-33.7	-179	-70	-18.7	0	0	0	110.5	K102 W103 F104 Q110	K102-D106 IonicContact NZ-OD2 3.71Å; K102-D106 PolarHBondContact NZ-OD2 3.02Å; K102-D106 VanDerWaalsContact NZ-OD2 3.09Å; K102-D106 WeakPolarHBondContact O-CB 3.47Å; K102-D106 PolarHBondContact O-N 3.21Å; K102-D106 VanDerWaalsContact O-N 3.08Å; W103-D106 PolarHBondContact O-N 2.68Å; F104-D106 VanDerWaalsContact C-N 3.34Å; F104-D106 PolarHBondContact O-N 3.17Å; D106-Q110 WeakPolarHBondContact O-CG 3.27Å; D106-Q110 PolarHBondContact O-NE2 3.09Å
107	E	98.8	Very high	98.6	Very high	36 Å²	36	55.6 Å²	55.6	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-76.9	-48.7	177.1	-64.4	-75.9	159.5	0	0	113.1	W103 F104 D105 K109 Q110 L232 R235	W103-E107 HydrophobicContact CD2-CG 4.26Å; W103-E107 HydrophobicContact CE3-CG 4.22Å; W103-E107 HydrophobicContact CH2-CG 3.9Å; W103-E107 HydrophobicContact CZ2-CG 4.03Å; W103-E107 HydrophobicContact CZ3-CG 4.01Å; W103-E107 WeakPolarHBondContact O-CG 3.44Å; W103-E107 PolarHBondContact O-N 3.43Å; F104-E107 PolarHBondContact O-N 2.69Å; D105-E107 PolarHBondContact O-N 3.44Å; E107-K109 VanDerWaalsContact C-N 3.3Å; E107-K109 PolarHBondContact O-N 2.92Å; E107-Q110 WeakPolarHBondContact O-CB 3.5Å; E107-Q110 PolarHBondContact O-N 3.34Å; E107-Q110 VanDerWaalsContact O-N 3.15Å; E107-L232 HydrophobicContact CB-CD1 3.87Å; E107-L232 HydrophobicContact CB-CD2 3.84Å; E107-L232 HydrophobicContact CB-CG 4.46Å; E107-L232 HydrophobicContact CG-CD2 4.16Å; E107-R235 VanDerWaalsContact CD-NH1 3.33Å; E107-R235 IonicContact OE1-CZ 2.72Å; E107-R235 IonicContact OE1-NH1 3.48Å; E107-R235 IonicContact OE1-NH2 2.72Å; E107-R235 PolarHBondContact OE1-NH2 2.82Å; E107-R235 IonicContact OE2-CZ 3.38Å; E107-R235 IonicContact OE2-NH1 3.03Å; E107-R235 PolarHBondContact OE2-NH1 3.42Å; E107-R235 IonicContact OE2-NH2 3.28Å
108	I	98.6	Very high	98.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.8	-28.7	-178.4	66	-177.7	0	0	0	112.6	F104 Q110 L111 G112 V113 N185 I229 L232 W312	F104-I108 HydrophobicContact CD1-CD1 4.12Å; F104-I108 HydrophobicContact CD1-CG2 3.99Å; F104-I108 HydrophobicContact CD2-CG2 4.42Å; F104-I108 HydrophobicContact CE1-CD1 3.99Å; F104-I108 HydrophobicContact CE1-CG2 3.48Å; F104-I108 VanDerWaalsContact CE1-CG2 3.48Å; F104-I108 HydrophobicContact CE2-CG2 3.96Å; F104-I108 HydrophobicContact CG-CG2 4.44Å; F104-I108 HydrophobicContact CZ-CG2 3.44Å; F104-I108 VanDerWaalsContact CZ-CG2 3.44Å; F104-I108 WeakPolarHBondContact O-CG1 3.49Å; F104-I108 PolarHBondContact O-N 2.73Å; I108-Q110 VanDerWaalsContact C-N 3.26Å; I108-Q110 PolarHBondContact O-N 2.65Å; I108-L111 WeakPolarHBondContact O-CA 3.4Å; I108-L111 WeakPolarHBondContact O-CB 3.14Å; I108-L111 PolarHBondContact O-N 2.83Å; I108-G112 PolarHBondContact O-N 2.79Å; I108-V113 HydrophobicContact CB-CB 4.01Å; I108-V113 HydrophobicContact CB-CG2 4.13Å; I108-V113 HydrophobicContact CD1-CG1 4.4Å; I108-V113 HydrophobicContact CG1-CB 4.28Å; I108-V113 WeakPolarHBondContact O-CB 3.28Å; I108-V113 WeakPolarHBondContact O-CG2 3.42Å; I108-V113 PolarHBondContact O-N 3.37Å; I108-V113 VanDerWaalsContact O-N 3.08Å; I108-N185 HydrophobicContact CD1-CB 3.76Å; I108-I229 HydrophobicContact CG2-CD1 4.16Å; I108-L232 HydrophobicContact CG2-CD1 3.88Å; I108-W312 HydrophobicContact CD1-CH2 4.38Å; I108-W312 HydrophobicContact CG2-CH2 4.22Å; I108-W312 HydrophobicContact CG2-CZ3 4.44Å
109	K	98.7	Very high	98.4	Very high	100 Å²	100	56 Å²	56	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-33	173.7	-75.8	167.7	-168.4	153.8	0	111.8	D105 E107 L111 G112	D105-K109 VanDerWaalsContact O-CB 3.31Å; D105-K109 WeakPolarHBondContact O-CB 3.32Å; D105-K109 WeakPolarHBondContact O-CD 3.42Å; D105-K109 WeakPolarHBondContact O-CG 3.48Å; D105-K109 PolarHBondContact O-N 3.22Å; D105-K109 VanDerWaalsContact O-N 3.07Å; D105-K109 IonicContact OD2-NZ 3.26Å; D105-K109 PolarHBondContact OD2-NZ 3.49Å; E107-K109 VanDerWaalsContact C-N 3.3Å; E107-K109 PolarHBondContact O-N 2.92Å; K109-L111 PolarHBondContact O-N 3.28Å; K109-G112 PolarHBondContact O-N 2.83Å
110	Q	98.4	Very high	98.3	Very high	147 Å²	147	56 Å²	56	69%	0.687	29%	0.291	S	S	*	.	H	α-helix	trans	-66.2	-24.7	172.7	-65.4	170.1	58.6	0	0	112.2	D106 E107 I108 G112	D106-Q110 WeakPolarHBondContact O-CG 3.27Å; D106-Q110 PolarHBondContact O-NE2 3.09Å; E107-Q110 WeakPolarHBondContact O-CB 3.5Å; E107-Q110 PolarHBondContact O-N 3.34Å; E107-Q110 VanDerWaalsContact O-N 3.15Å; I108-Q110 VanDerWaalsContact C-N 3.26Å; I108-Q110 PolarHBondContact O-N 2.65Å; Q110-G112 VanDerWaalsContact C-N 3.26Å; Q110-G112 PolarHBondContact O-N 3.04Å
111	L	98.2	Very high	98.1	Very high	56 Å²	56	61.4 Å²	61.4	29%	0.293	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.8	173.6	-56.9	-179.5	0	0	0	113.7	I108 K109 V113 K183 D228 I229 L232	I108-L111 WeakPolarHBondContact O-CA 3.4Å; I108-L111 WeakPolarHBondContact O-CB 3.14Å; I108-L111 PolarHBondContact O-N 2.83Å; K109-L111 PolarHBondContact O-N 3.28Å; L111-V113 HydrophobicContact CB-CG2 4.3Å; L111-K183 PolarHBondContact O-NZ 3.07Å; L111-D228 HydrophobicContact CD1-CB 4.35Å; L111-I229 HydrophobicContact CD1-CD1 4.11Å; L111-L232 HydrophobicContact CD1-CD1 3.85Å
112	G	98.4	Very high	97.8	Very high	49 Å²	49	59.5 Å²	59.5	51%	0.505	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	14.1	-177.5	0	0	0	0	0	114.2	I108 K109 Q110	I108-G112 PolarHBondContact O-N 2.79Å; K109-G112 PolarHBondContact O-N 2.83Å; Q110-G112 VanDerWaalsContact C-N 3.26Å; Q110-G112 PolarHBondContact O-N 3.04Å
113	V	98.8	Very high	97.5	Very high	2 Å²	2	56 Å²	56	1%	0.012	30%	0.297	C	S	.	.			trans	-79.7	133.3	176.4	-171.6	0	0	0	0	109.9	I108 L111 K183 N185 W312	I108-V113 HydrophobicContact CB-CB 4.01Å; I108-V113 HydrophobicContact CB-CG2 4.13Å; I108-V113 HydrophobicContact CD1-CG1 4.4Å; I108-V113 HydrophobicContact CG1-CB 4.28Å; I108-V113 WeakPolarHBondContact O-CB 3.28Å; I108-V113 WeakPolarHBondContact O-CG2 3.42Å; I108-V113 PolarHBondContact O-N 3.37Å; I108-V113 VanDerWaalsContact O-N 3.08Å; L111-V113 HydrophobicContact CB-CG2 4.3Å; V113-K183 HydrophobicContact CB-CB 4.41Å; V113-K183 HydrophobicContact CG1-CB 4.48Å; V113-K183 HydrophobicContact CG2-CB 4.09Å; V113-K183 HydrophobicContact CG2-CD 4.33Å; V113-N185 HydrophobicContact CG1-CB 3.7Å; V113-W312 HydrophobicContact CG1-CH2 4.04Å; V113-W312 HydrophobicContact CG1-CZ2 4.24Å; V113-W312 HydrophobicContact CG2-CH2 4.41Å; V113-W312 HydrophobicContact CG2-CZ2 4.22Å
114	S	98.7	Very high	97.1	Very high	75 Å²	75	57.2 Å²	57.2	52%	0.524	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.4	177.9	-65.4	0	0	0	0	112.2	K183 I184 N185	S114-K183 PolarHBondContact N-O 2.99Å; S114-K183 VanDerWaalsContact N-O 3.13Å; S114-I184 CarbonylContact O-C 3.59Å; S114-I184 VanDerWaalsContact O-CA 3.25Å; S114-I184 WeakPolarHBondContact O-CA 3.17Å; S114-N185 PolarHBondContact O-N 3.49Å
115	N	98.7	Very high	96.5	Very high	68 Å²	68	60.7 Å²	60.7	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	143.7	173.8	-70.6	-9.8	0	0	0	111	D105 N185	D105-N115 PolarHBondContact OD1-ND2 3.31Å; D105-N115 PolarHBondContact OD1-OD1 2.83Å; D105-N115 PolarHBondContact OD2-ND2 3.03Å; N115-N185 CarbonylContact C-O 3.53Å; N115-N185 VanDerWaalsContact CA-O 3.28Å; N115-N185 WeakPolarHBondContact CA-O 3.48Å; N115-N185 WeakPolarHBondContact OD1-CB 3.3Å; N115-N185 PolarHBondContact OD1-ND2 3.38Å
116	C	98.1	Very high	96	Very high	41 Å²	41	60.5 Å²	60.5	28%	0.277	33%	0.33	S	S	.	.			trans	-146.9	175.9	177.5	71.5	0	0	0	0	110.2	F118 I184 N185	C116-F118 WeakPolarHBondContact SG-CE2 2.96Å; C116-I184 VanDerWaalsContact SG-CD1 3.57Å; C116-N185 PolarHBondContact N-O 2.94Å; C116-N185 PolarHBondContact SG-O 3.3Å
117	Y	97.9	Very high	95.3	Very high	161 Å²	161	57.4 Å²	57.4	63%	0.631	31%	0.313	S	S	*	.			trans	-140.9	131.7	177.8	178.9	-96	0	0	0	111.5
118	F	97.6	Very high	94.5	Very high	10 Å²	10	60.4 Å²	60.4	4%	0.044	33%	0.327	C	S	.	.			trans	-114.3	148.8	170.8	-63.5	-91.1	0	0	0	112	C116 V165 I166 W173 I184 Q186	C116-F118 WeakPolarHBondContact SG-CE2 2.96Å; F118-V165 HydrophobicContact CB-CG1 3.74Å; F118-V165 HydrophobicContact CG-CG1 4.42Å; F118-I166 HydrophobicContact CD1-CG1 4.27Å; F118-I166 HydrophobicContact CD2-CD1 4.08Å; F118-I166 HydrophobicContact CD2-CG1 3.6Å; F118-I166 HydrophobicContact CE1-CG1 4.34Å; F118-I166 HydrophobicContact CE2-CB 4.37Å; F118-I166 HydrophobicContact CE2-CD1 4.13Å; F118-I166 HydrophobicContact CE2-CG1 3.66Å; F118-I166 HydrophobicContact CE2-CG2 4.12Å; F118-I166 HydrophobicContact CG-CG1 3.91Å; F118-I166 HydrophobicContact CZ-CB 4.3Å; F118-I166 HydrophobicContact CZ-CG1 4.04Å; F118-I166 HydrophobicContact CZ-CG2 3.93Å; F118-W173 AromaticContact CE1-CH2 3.7Å; F118-W173 HydrophobicContact CE1-CH2 3.7Å; F118-W173 HydrophobicContact CE1-CZ2 4.37Å; F118-W173 HydrophobicContact CE1-CZ3 4.39Å; F118-W173 AromaticContact CZ-CH2 3.51Å; F118-W173 HydrophobicContact CZ-CH2 3.51Å; F118-W173 AromaticContact CZ-CZ3 3.87Å; F118-W173 HydrophobicContact CZ-CZ3 3.87Å; F118-I184 HydrophobicContact CE2-CD1 3.58Å; F118-I184 HydrophobicContact CZ-CD1 3.83Å; F118-Q186 PolarHBondContact O-NE2 3.32Å; F118-Q186 VanDerWaalsContact O-NE2 3.09Å
119	P	96.6	Very high	93.8	Very high	84 Å²	84	65.4 Å²	65.4	55%	0.545	35%	0.346	S	S	.	.			trans	-58.7	154.7	176.4	-24.5	35	0	0	0	114.2
120	I	96	Very high	92.8	Very high	45 Å²	45	60.7 Å²	60.7	23%	0.231	33%	0.326	C	S	.	.	S	Bend	trans	-77.7	-29.4	-177	-169.5	169.9	0	0	0	114.3	I158 R159	I120-I158 HydrophobicContact CD1-CG2 4Å; I120-I158 HydrophobicContact CG1-CG2 3.9Å; I120-R159 HydrophobicContact CG1-CG 4.21Å; I120-R159 PolarHBondContact O-N 2.55Å; I120-R159 VanDerWaalsContact O-N 3.08Å
121	F	95.3	Very high	91.8	Very high	115 Å²	115	59.9 Å²	59.9	50%	0.504	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	138.3	-175.8	-63.2	-53.2	0	0	0	111.7	V144 V156 A157 I158	F121-V144 HydrophobicContact CD1-CG2 4.36Å; F121-V144 HydrophobicContact CE1-CG2 3.74Å; F121-V156 HydrophobicContact CB-CB 4.31Å; F121-V156 HydrophobicContact CB-CG2 4.19Å; F121-V156 HydrophobicContact CD1-CG2 3.94Å; F121-V156 HydrophobicContact CG-CG2 4.07Å; F121-A157 CarbonylContact C-O 3.58Å; F121-A157 VanDerWaalsContact CA-O 3.29Å; F121-A157 WeakPolarHBondContact CA-O 3.3Å; F121-I158 HydrophobicContact CD1-CG1 4.41Å; F121-I158 HydrophobicContact CE1-CG1 4.2Å
122	V	92.5	Very high	90.6	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.4	180	-163.8	0	0	0	0	108.1	A126 L127 V156 A157 R159 T164 V165	V122-A126 HydrophobicContact CG1-CB 4.05Å; V122-L127 HydrophobicContact CB-CG 4.43Å; V122-L127 HydrophobicContact CG1-CD2 4.16Å; V122-L127 HydrophobicContact CG1-CG 3.92Å; V122-V156 CarbonylContact O-C 3.49Å; V122-V156 WeakPolarHBondContact O-CA 3.46Å; V122-A157 HydrophobicContact CB-CB 4.25Å; V122-A157 PolarHBondContact N-O 3.11Å; V122-A157 PolarHBondContact O-N 2.06Å; V122-R159 HydrophobicContact CG2-CB 3.83Å; V122-T164 WeakPolarHBondContact CG1-OG1 3.24Å; V122-V165 HydrophobicContact CB-CG2 4.3Å; V122-V165 HydrophobicContact CG1-CG2 4.12Å; V122-V165 HydrophobicContact CG2-CG2 3.43Å; V122-V165 VanDerWaalsContact CG2-CG2 3.43Å
123	S	92	Very high	89.2	Confident	47 Å²	47	65 Å²	65	33%	0.329	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	149.1	174.7	67.4	0	0	0	0	110.7	S125 A126 L127	S123-S125 PolarHBondContact O-N 2.78Å; S123-S125 PolarHBondContact OG-OG 2.81Å; S123-A126 PolarHBondContact O-N 3.25Å; S123-A126 VanDerWaalsContact O-N 3.17Å; S123-A126 WeakPolarHBondContact OG-CB 3.27Å; S123-A126 PolarHBondContact OG-N 2.82Å; S123-L127 PolarHBondContact O-N 3.04Å
124	Q	89.1	Confident	87.8	Confident	69 Å²	69	65.2 Å²	65.2	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-54.6	-43.6	173	179	174.9	-15.9	0	0	111.8	A126 L127 E128 W143	Q124-A126 VanDerWaalsContact C-N 3.29Å; Q124-A126 PolarHBondContact O-N 2.87Å; Q124-L127 PolarHBondContact O-N 3.01Å; Q124-E128 HydrophobicContact CG-CG 4.3Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.33Å; Q124-E128 PolarHBondContact NE2-OE1 3.31Å; Q124-E128 WeakPolarHBondContact O-CG 3.22Å; Q124-E128 PolarHBondContact O-N 2.7Å; Q124-W143 HydrophobicContact CB-CH2 3.92Å; Q124-W143 HydrophobicContact CB-CZ3 3.78Å; Q124-W143 HydrophobicContact CG-CH2 3.85Å; Q124-W143 HydrophobicContact CG-CZ3 4.13Å
125	S	88	Confident	86	Confident	73 Å²	73	66.4 Å²	66.4	51%	0.51	35%	0.353	S	S	.	.	H	α-helix	trans	-58.7	-35.6	178.6	55.9	0	0	0	0	113.9	S123 R129	S123-S125 PolarHBondContact O-N 2.78Å; S123-S125 PolarHBondContact OG-OG 2.81Å; S125-R129 PolarHBondContact O-N 3.24Å; S125-R129 VanDerWaalsContact O-N 3.1Å
126	A	87.2	Confident	84.2	Confident	16 Å²	16	69.9 Å²	69.9	13%	0.132	37%	0.371	C	S	.	.	H	α-helix	trans	-71.1	-39.7	179.3	0	0	0	0	0	111.7	V122 S123 Q124 R129 E130	V122-A126 HydrophobicContact CG1-CB 4.05Å; S123-A126 PolarHBondContact O-N 3.25Å; S123-A126 VanDerWaalsContact O-N 3.17Å; S123-A126 WeakPolarHBondContact OG-CB 3.27Å; S123-A126 PolarHBondContact OG-N 2.82Å; Q124-A126 VanDerWaalsContact C-N 3.29Å; Q124-A126 PolarHBondContact O-N 2.87Å; A126-R129 PolarHBondContact O-N 3.38Å; A126-E130 PolarHBondContact O-N 2.74Å
127	L	83.4	Confident	82.6	Confident	7 Å²	7	69.9 Å²	69.9	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-69.7	-37.5	175	-71.7	177.9	0	0	0	112.7	V122 S123 Q124 R129 E130 K131 F137 V141 W143 A157 T164	V122-L127 HydrophobicContact CB-CG 4.43Å; V122-L127 HydrophobicContact CG1-CD2 4.16Å; V122-L127 HydrophobicContact CG1-CG 3.92Å; S123-L127 PolarHBondContact O-N 3.04Å; Q124-L127 PolarHBondContact O-N 3.01Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 3.35Å; L127-E130 PolarHBondContact O-N 2.78Å; L127-K131 PolarHBondContact O-N 2.72Å; L127-F137 HydrophobicContact CD2-CZ 4.43Å; L127-V141 HydrophobicContact CD1-CG1 4.09Å; L127-V141 HydrophobicContact CD1-CG2 3.99Å; L127-W143 HydrophobicContact CD1-CH2 3.84Å; L127-W143 HydrophobicContact CD1-CZ2 4.15Å; L127-A157 HydrophobicContact CD1-CB 3.24Å; L127-A157 HydrophobicContact CG-CB 4.46Å; L127-T164 HydrophobicContact CD2-CG2 4.47Å
128	E	83.4	Confident	81.1	Confident	100 Å²	100	66.7 Å²	66.7	47%	0.467	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-35.6	175.9	-73.9	176	177.2	0	0	112	Q124 E130 K131 T132	Q124-E128 HydrophobicContact CG-CG 4.3Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.33Å; Q124-E128 PolarHBondContact NE2-OE1 3.31Å; Q124-E128 WeakPolarHBondContact O-CG 3.22Å; Q124-E128 PolarHBondContact O-N 2.7Å; E128-E130 VanDerWaalsContact C-N 3.31Å; E128-E130 PolarHBondContact O-N 3.38Å; E128-K131 PolarHBondContact O-N 3.05Å; E128-T132 WeakPolarHBondContact O-CG2 3.24Å; E128-T132 PolarHBondContact O-N 2.88Å; E128-T132 VanDerWaalsContact O-N 3.08Å; E128-T132 PolarHBondContact O-OG1 3.3Å
129	R	82.1	Confident	79.4	Confident	104 Å²	104	68.4 Å²	68.4	39%	0.392	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-39.7	173.6	-169.1	175.8	-175.1	154.6	2.1	111.8	S125 A126 L127 T132 H133 M291	S125-R129 PolarHBondContact O-N 3.24Å; S125-R129 VanDerWaalsContact O-N 3.1Å; A126-R129 PolarHBondContact O-N 3.38Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 3.35Å; R129-T132 PolarHBondContact O-OG1 3.41Å; R129-H133 PolarHBondContact O-ND1 2.83Å; R129-M291 HydrophobicContact CG-CG 4.2Å; R129-M291 HydrophobicContact CG-SD 4.37Å; R129-M291 PolarHBondContact NE-O 2.85Å; R129-M291 PolarHBondContact NH2-O 3.44Å
130	E	79.2	Confident	78.5	Confident	2 Å²	2	67 Å²	67	1%	0.009	37%	0.366	C	S	.	.	H	α-helix	trans	-67.8	-48.2	175.4	-177	170.9	-142.7	0	0	112.1	A126 L127 E128 T132 H133 V134 F137 T164	A126-E130 PolarHBondContact O-N 2.74Å; L127-E130 PolarHBondContact O-N 2.78Å; E128-E130 VanDerWaalsContact C-N 3.31Å; E128-E130 PolarHBondContact O-N 3.38Å; E130-T132 PolarHBondContact O-N 2.78Å; E130-H133 PolarHBondContact O-N 3.14Å; E130-V134 HydrophobicContact CG-CG2 4.21Å; E130-V134 PolarHBondContact O-N 2.93Å; E130-F137 HydrophobicContact CG-CD1 4.29Å; E130-F137 HydrophobicContact CG-CD2 4.39Å; E130-F137 HydrophobicContact CG-CE1 4.41Å; E130-F137 HydrophobicContact CG-CG 4.27Å; E130-F137 VanDerWaalsContact OE2-CZ 3.26Å; E130-F137 WeakPolarHBondContact OE2-CZ 3.16Å; E130-T164 HydrophobicContact CB-CG2 3.66Å; E130-T164 HydrophobicContact CG-CG2 4.22Å; E130-T164 WeakPolarHBondContact OE2-CG2 3.46Å
131	K	77.3	Confident	78.1	Confident	129 Å²	129	65.6 Å²	65.6	56%	0.561	36%	0.36	S	S	*	.	H	α-helix	trans	-57.4	-35.3	180	-172.5	-179.2	179.7	-177.3	0	113.3	L127 E128 H133 F137	L127-K131 PolarHBondContact O-N 2.72Å; E128-K131 PolarHBondContact O-N 3.05Å; K131-H133 VanDerWaalsContact C-N 3.28Å; K131-H133 PolarHBondContact O-N 3.38Å; K131-F137 HydrophobicContact CB-CD1 4.22Å
132	T	71.9	Confident	77.9	Confident	110 Å²	110	60.8 Å²	60.8	68%	0.675	34%	0.341	S	S	*	.	H	α-helix	trans	-72.7	-20.7	179.3	45.7	0	0	0	0	113.6	E128 R129 E130	E128-T132 WeakPolarHBondContact O-CG2 3.24Å; E128-T132 PolarHBondContact O-N 2.88Å; E128-T132 VanDerWaalsContact O-N 3.08Å; E128-T132 PolarHBondContact O-OG1 3.3Å; R129-T132 PolarHBondContact O-OG1 3.41Å; E130-T132 PolarHBondContact O-N 2.78Å
133	H	69.6	Low	77.9	Confident	102 Å²	102	65.9 Å²	65.9	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-108.3	-19	-177.5	-68	77.5	0	0	0	113.3	R129 E130 K131 M291	R129-H133 PolarHBondContact O-ND1 2.83Å; E130-H133 PolarHBondContact O-N 3.14Å; K131-H133 VanDerWaalsContact C-N 3.28Å; K131-H133 PolarHBondContact O-N 3.38Å; H133-M291 HydrophobicContact CB-CE 3.28Å; H133-M291 HydrophobicContact CB-CG 4.22Å; H133-M291 HydrophobicContact CB-SD 3.88Å
134	V	69.8	Low	78.1	Confident	7 Å²	7	65.8 Å²	65.8	4%	0.042	36%	0.357	C	S	.	.			trans	-116.2	101.7	-178.6	-174.8	0	0	0	0	109.3	E130 D136 F137 A257 F288 M291	E130-V134 HydrophobicContact CG-CG2 4.21Å; E130-V134 PolarHBondContact O-N 2.93Å; V134-D136 PolarHBondContact O-N 2.82Å; V134-D136 VanDerWaalsContact O-N 3.12Å; V134-F137 HydrophobicContact CB-CB 4.01Å; V134-F137 HydrophobicContact CG1-CB 4Å; V134-F137 PolarHBondContact O-N 2.79Å; V134-F137 VanDerWaalsContact O-N 3.14Å; V134-A257 HydrophobicContact CG1-CB 3.39Å; V134-F288 HydrophobicContact CG2-CZ 4.35Å; V134-M291 HydrophobicContact CG2-CE 4.11Å
135	A	60.6	Low	78.4	Confident	101 Å²	101	65.7 Å²	65.7	84%	0.835	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29	-170.1	0	0	0	0	0	114.7
136	D	60.8	Low	78.8	Confident	141 Å²	141	68.1 Å²	68.1	75%	0.754	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	12.2	-176.6	-59	-51.1	0	0	0	113.8	V134 S138	V134-D136 PolarHBondContact O-N 2.82Å; V134-D136 VanDerWaalsContact O-N 3.12Å; D136-S138 PolarHBondContact O-N 3.5Å; D136-S138 VanDerWaalsContact O-N 3.13Å
137	F	65	Low	79.2	Confident	40 Å²	40	70.8 Å²	70.8	18%	0.175	38%	0.38	C	S	.	.			trans	-75.2	106.1	178.7	-174.1	-107.3	0	0	0	111.2	L127 E130 K131 V134 P139 T161	L127-F137 HydrophobicContact CD2-CZ 4.43Å; E130-F137 HydrophobicContact CG-CD1 4.29Å; E130-F137 HydrophobicContact CG-CD2 4.39Å; E130-F137 HydrophobicContact CG-CE1 4.41Å; E130-F137 HydrophobicContact CG-CG 4.27Å; E130-F137 VanDerWaalsContact OE2-CZ 3.26Å; E130-F137 WeakPolarHBondContact OE2-CZ 3.16Å; K131-F137 HydrophobicContact CB-CD1 4.22Å; V134-F137 HydrophobicContact CB-CB 4.01Å; V134-F137 HydrophobicContact CG1-CB 4Å; V134-F137 PolarHBondContact O-N 2.79Å; V134-F137 VanDerWaalsContact O-N 3.14Å; F137-P139 HydrophobicContact CD1-CB 4.37Å; F137-P139 HydrophobicContact CD1-CG 4.24Å; F137-P139 HydrophobicContact CE1-CB 3.65Å; F137-P139 HydrophobicContact CE1-CG 3.94Å; F137-P139 HydrophobicContact CZ-CB 4.09Å; F137-P139 VanDerWaalsContact O-CD 3.28Å; F137-P139 WeakPolarHBondContact O-CD 3.49Å; F137-T161 HydrophobicContact CE2-CG2 4.34Å
138	S	65.4	Low	79.7	Confident	94 Å²	94	73.8 Å²	73.8	66%	0.657	41%	0.413	S	S	*	.			trans	-102.2	98.8	169.3	178.7	0	0	0	0	109.7	D136 E140	D136-S138 PolarHBondContact O-N 3.5Å; D136-S138 VanDerWaalsContact O-N 3.13Å; S138-E140 PolarHBondContact O-N 3.41Å
139	P	63	Low	80.2	Confident	47 Å²	47	77 Å²	77	31%	0.305	43%	0.434	S	S	.	.			trans	-67.5	100.5	178.3	21.5	-27.3	0	0	0	110.2	F137 V141	F137-P139 HydrophobicContact CD1-CB 4.37Å; F137-P139 HydrophobicContact CD1-CG 4.24Å; F137-P139 HydrophobicContact CE1-CB 3.65Å; F137-P139 HydrophobicContact CE1-CG 3.94Å; F137-P139 HydrophobicContact CZ-CB 4.09Å; F137-P139 VanDerWaalsContact O-CD 3.28Å; F137-P139 WeakPolarHBondContact O-CD 3.49Å; P139-V141 HydrophobicContact CB-CB 4.03Å; P139-V141 HydrophobicContact CB-CG2 3.3Å; P139-V141 PolarHBondContact O-N 3.02Å
140	E	77.8	Confident	80.9	Confident	53 Å²	53	75.6 Å²	75.6	25%	0.248	44%	0.44	C	S	.	.			trans	-70.2	57	162.8	-60.9	164.5	-136.2	0	0	109.9	S138 W193 E194	S138-E140 PolarHBondContact O-N 3.41Å; E140-W193 PolarHBondContact O-N 3.34Å; E140-E194 HydrophobicContact CB-CB 4.15Å; E140-E194 VanDerWaalsContact CD-CB 3.42Å; E140-E194 HydrophobicContact CG-CB 3.65Å; E140-E194 HydrophobicContact CG-CG 4.04Å; E140-E194 WeakPolarHBondContact OE2-CB 3.23Å
141	V	86.1	Confident	81.8	Confident	17 Å²	17	81.2 Å²	81.2	10%	0.103	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-95.2	132.2	-163.9	167.5	0	0	0	0	111.4	L127 P139 W143 A157 P160	L127-V141 HydrophobicContact CD1-CG1 4.09Å; L127-V141 HydrophobicContact CD1-CG2 3.99Å; P139-V141 HydrophobicContact CB-CB 4.03Å; P139-V141 HydrophobicContact CB-CG2 3.3Å; P139-V141 PolarHBondContact O-N 3.02Å; V141-W143 HydrophobicContact CG1-CD2 3.95Å; V141-W143 HydrophobicContact CG1-CG 4.2Å; V141-W143 HydrophobicContact CG1-CZ2 3.98Å; V141-A157 HydrophobicContact CG1-CB 3.33Å; V141-P160 HydrophobicContact CG2-CB 4.31Å; V141-P160 HydrophobicContact CG2-CG 3.64Å
142	A	92.1	Very high	82.6	Confident	13 Å²	13	77.8 Å²	77.8	11%	0.107	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-84.4	124.2	163.4	0	0	0	0	0	109.6	A157 I158 V191 W193	A142-A157 WeakPolarHBondContact O-CA 3.44Å; A142-I158 HydrophobicContact CB-CB 4.43Å; A142-I158 HydrophobicContact CB-CD1 4.21Å; A142-I158 PolarHBondContact O-N 3.42Å; A142-V191 HydrophobicContact CB-CG1 3.84Å; A142-W193 HydrophobicContact CB-CB 4.38Å; A142-W193 HydrophobicContact CB-CD2 4.48Å; A142-W193 HydrophobicContact CB-CE3 4.06Å
143	W	93.4	Very high	83.7	Confident	112 Å²	112	77.7 Å²	77.7	42%	0.424	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.1	179	-67.3	95.8	0	0	0	111.8	Q124 L127 V141 T145 P155 A157	Q124-W143 HydrophobicContact CB-CH2 3.92Å; Q124-W143 HydrophobicContact CB-CZ3 3.78Å; Q124-W143 HydrophobicContact CG-CH2 3.85Å; Q124-W143 HydrophobicContact CG-CZ3 4.13Å; L127-W143 HydrophobicContact CD1-CH2 3.84Å; L127-W143 HydrophobicContact CD1-CZ2 4.15Å; V141-W143 HydrophobicContact CG1-CD2 3.95Å; V141-W143 HydrophobicContact CG1-CG 4.2Å; V141-W143 HydrophobicContact CG1-CZ2 3.98Å; W143-T145 HydrophobicContact CB-CG2 4.07Å; W143-P155 HydrophobicContact CE3-CB 3.89Å; W143-P155 HydrophobicContact CZ3-CB 4.31Å; W143-A157 HydrophobicContact CD2-CB 4.38Å; W143-A157 HydrophobicContact CE3-CB 3.92Å; W143-A157 HydrophobicContact CH2-CB 4.13Å; W143-A157 HydrophobicContact CZ3-CB 3.79Å
144	V	95.3	Very high	84.8	Confident	44 Å²	44	79.5 Å²	79.5	27%	0.267	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.8	163.5	-176	0	0	0	0	107.5	F121 L152 V156 I158	F121-V144 HydrophobicContact CD1-CG2 4.36Å; F121-V144 HydrophobicContact CE1-CG2 3.74Å; V144-L152 HydrophobicContact CG1-CD1 4.06Å; V144-L152 WeakPolarHBondContact O-CD1 3.12Å; V144-V156 HydrophobicContact CB-CG2 3.91Å; V144-V156 PolarHBondContact N-O 2.83Å; V144-V156 PolarHBondContact O-N 2.92Å; V144-V156 VanDerWaalsContact O-N 3.1Å; V144-I158 HydrophobicContact CG2-CD1 4.49Å; V144-I158 HydrophobicContact CG2-CG1 4.27Å
145	T	95.9	Very high	86	Confident	68 Å²	68	80.9 Å²	80.9	42%	0.417	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-4.6	-174.7	56.1	0	0	0	0	113.4	W143 D151 L152 P155	W143-T145 HydrophobicContact CB-CG2 4.07Å; T145-D151 CarbonylContact O-C 3.6Å; T145-D151 WeakPolarHBondContact O-CA 3.37Å; T145-L152 PolarHBondContact O-N 3.42Å; T145-P155 HydrophobicContact CG2-CB 4.23Å; T145-P155 HydrophobicContact CG2-CG 4.45Å
146	K	96.6	Very high	87.6	Confident	123 Å²	123	77.9 Å²	77.9	54%	0.535	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.3	-175	-66.2	-168.5	173.7	-167	0	112.8	S150 D151	K146-S150 WeakPolarHBondContact CA-O 3.38Å; K146-D151 VanDerWaalsContact CE-OD1 3.26Å; K146-D151 WeakPolarHBondContact CE-OD1 3.06Å
147	S	94	Very high	89.2	Confident	72 Å²	72	71.2 Å²	71.2	50%	0.503	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	108.7	164.8	-178.2	0	0	0	0	108.6	N149 S150	S147-N149 PolarHBondContact O-N 3.03Å; S147-N149 VanDerWaalsContact O-N 3.15Å; S147-S150 PolarHBondContact N-O 3.21Å; S147-S150 PolarHBondContact O-N 3.05Å; S147-S150 VanDerWaalsContact O-N 3.15Å; S147-S150 PolarHBondContact O-OG 3.36Å
148	G	94.2	Very high	90.6	Very high	71 Å²	71	71 Å²	71	73%	0.732	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-117.8	-168.8	0	0	0	0	0	111.1
149	N	95.1	Very high	91.9	Very high	167 Å²	167	66.5 Å²	66.5	89%	0.893	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-9.7	179.5	-68	-36.8	0	0	0	114.3	S147	S147-N149 PolarHBondContact O-N 3.03Å; S147-N149 VanDerWaalsContact O-N 3.15Å
150	S	96.5	Very high	93.3	Very high	75 Å²	75	64.7 Å²	64.7	52%	0.524	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147.2	179.6	48.6	0	0	0	0	111.4	K146 S147	K146-S150 WeakPolarHBondContact CA-O 3.38Å; S147-S150 PolarHBondContact N-O 3.21Å; S147-S150 PolarHBondContact O-N 3.05Å; S147-S150 VanDerWaalsContact O-N 3.15Å; S147-S150 PolarHBondContact O-OG 3.36Å
151	D	97	Very high	93.8	Very high	119 Å²	119	62.6 Å²	62.6	64%	0.636	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	143.1	170.9	-61.7	-35.7	0	0	0	110.2	T145 K146	T145-D151 CarbonylContact O-C 3.6Å; T145-D151 WeakPolarHBondContact O-CA 3.37Å; K146-D151 VanDerWaalsContact CE-OD1 3.26Å; K146-D151 WeakPolarHBondContact CE-OD1 3.06Å
152	L	94.9	Very high	94.1	Very high	57 Å²	57	61.8 Å²	61.8	30%	0.298	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.4	171.9	-75.3	172.3	0	0	0	109.2	V144 T145 E154 V156	V144-L152 HydrophobicContact CG1-CD1 4.06Å; V144-L152 WeakPolarHBondContact O-CD1 3.12Å; T145-L152 PolarHBondContact O-N 3.42Å; L152-E154 PolarHBondContact O-N 3.43Å; L152-V156 HydrophobicContact CD1-CG2 4.5Å
153	A	94.3	Very high	94.2	Very high	108 Å²	108	61.2 Å²	61.2	89%	0.893	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	-39.6	174.6	0	0	0	0	0	111.5
154	E	93.7	Very high	94	Very high	141 Å²	141	56 Å²	56	66%	0.659	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.7	170.9	-67.2	-174.1	177.1	0	0	109.4	L152	L152-E154 PolarHBondContact O-N 3.43Å
155	P	94.4	Very high	94	Very high	35 Å²	35	54.9 Å²	54.9	23%	0.227	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	143.2	169.7	-25.5	35.4	0	0	0	111.9	W143 T145	W143-P155 HydrophobicContact CE3-CB 3.89Å; W143-P155 HydrophobicContact CZ3-CB 4.31Å; T145-P155 HydrophobicContact CG2-CB 4.23Å; T145-P155 HydrophobicContact CG2-CG 4.45Å
156	V	95.1	Very high	94	Very high	39 Å²	39	51.7 Å²	51.7	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.6	171	-61.5	0	0	0	0	109.9	F121 V122 V144 L152	F121-V156 HydrophobicContact CB-CB 4.31Å; F121-V156 HydrophobicContact CB-CG2 4.19Å; F121-V156 HydrophobicContact CD1-CG2 3.94Å; F121-V156 HydrophobicContact CG-CG2 4.07Å; V122-V156 CarbonylContact O-C 3.49Å; V122-V156 WeakPolarHBondContact O-CA 3.46Å; V144-V156 HydrophobicContact CB-CG2 3.91Å; V144-V156 PolarHBondContact N-O 2.83Å; V144-V156 PolarHBondContact O-N 2.92Å; V144-V156 VanDerWaalsContact O-N 3.1Å; L152-V156 HydrophobicContact CD1-CG2 4.5Å
157	A	93.4	Very high	93.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	149.9	177.5	0	0	0	0	0	111.1	F121 V122 L127 V141 A142 W143	F121-A157 CarbonylContact C-O 3.58Å; F121-A157 VanDerWaalsContact CA-O 3.29Å; F121-A157 WeakPolarHBondContact CA-O 3.3Å; V122-A157 HydrophobicContact CB-CB 4.25Å; V122-A157 PolarHBondContact N-O 3.11Å; V122-A157 PolarHBondContact O-N 2.06Å; L127-A157 HydrophobicContact CD1-CB 3.24Å; L127-A157 HydrophobicContact CG-CB 4.46Å; V141-A157 HydrophobicContact CG1-CB 3.33Å; A142-A157 WeakPolarHBondContact O-CA 3.44Å; W143-A157 HydrophobicContact CD2-CB 4.38Å; W143-A157 HydrophobicContact CE3-CB 3.92Å; W143-A157 HydrophobicContact CH2-CB 4.13Å; W143-A157 HydrophobicContact CZ3-CB 3.79Å
158	I	94.2	Very high	94	Very high	35 Å²	35	44.6 Å²	44.6	18%	0.179	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132	159.7	-61	171.5	0	0	0	107.2	I120 F121 A142 V144 P160 V191	I120-I158 HydrophobicContact CD1-CG2 4Å; I120-I158 HydrophobicContact CG1-CG2 3.9Å; F121-I158 HydrophobicContact CD1-CG1 4.41Å; F121-I158 HydrophobicContact CE1-CG1 4.2Å; A142-I158 HydrophobicContact CB-CB 4.43Å; A142-I158 HydrophobicContact CB-CD1 4.21Å; A142-I158 PolarHBondContact O-N 3.42Å; V144-I158 HydrophobicContact CG2-CD1 4.49Å; V144-I158 HydrophobicContact CG2-CG1 4.27Å; I158-P160 VanDerWaalsContact O-CD 3.26Å; I158-P160 WeakPolarHBondContact O-CD 3.36Å; I158-V191 HydrophobicContact CB-CB 4.31Å; I158-V191 HydrophobicContact CG2-CB 3.62Å; I158-V191 HydrophobicContact CG2-CG2 3.61Å
159	R	93.3	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-52.7	121.5	-178.7	53.5	168.4	168.7	-156.8	-16.3	113.2	I120 V122 S162 V165 Q186 C188 N189 V190 V191 E211	I120-R159 HydrophobicContact CG1-CG 4.21Å; I120-R159 PolarHBondContact O-N 2.55Å; I120-R159 VanDerWaalsContact O-N 3.08Å; V122-R159 HydrophobicContact CG2-CB 3.83Å; R159-S162 WeakPolarHBondContact CD-OG 3.5Å; R159-V165 HydrophobicContact CB-CG2 4.46Å; R159-Q186 VanDerWaalsContact NH1-CD 3.26Å; R159-C188 VanDerWaalsContact NH2-CB 3.26Å; R159-N189 PolarHBondContact NE-O 2.88Å; R159-N189 VanDerWaalsContact NE-O 3.13Å; R159-V190 HydrophobicContact CG-CG1 4.13Å; R159-V190 WeakPolarHBondContact O-CB 3.2Å; R159-V191 PolarHBondContact O-N 3.32Å; R159-V191 VanDerWaalsContact O-N 3.11Å; R159-E211 IonicContact NH1-OE1 2.65Å
160	P	91.3	Very high	94.3	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.058	21%	0.209	C	C	.	.	S	Bend	trans	-88	-20.8	163.7	37.7	-37.4	0	0	0	112.3	V141 I158 V191 R192 W209	V141-P160 HydrophobicContact CG2-CB 4.31Å; V141-P160 HydrophobicContact CG2-CG 3.64Å; I158-P160 VanDerWaalsContact O-CD 3.26Å; I158-P160 WeakPolarHBondContact O-CD 3.36Å; P160-V191 WeakPolarHBondContact CA-O 3.33Å; P160-R192 HydrophobicContact CB-CG 4.2Å; P160-R192 PolarHBondContact O-NE 3.29Å; P160-R192 PolarHBondContact O-NH2 2.88Å; P160-W209 WeakPolarHBondContact O-CZ3 3.39Å
161	T	89.5	Confident	94.3	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.055	20%	0.195	C	C	.	.	S	Bend	trans	-157	157.9	-179.3	-152	0	0	0	0	107.7	F137 E163	F137-T161 HydrophobicContact CE2-CG2 4.34Å; T161-E163 WeakPolarHBondContact CB-OE2 3.02Å; T161-E163 VanDerWaalsContact CG2-OE2 3.27Å; T161-E163 WeakPolarHBondContact CG2-OE2 3.12Å; T161-E163 PolarHBondContact OG1-OE2 3.08Å
162	S	93	Very high	94.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-111.6	0.3	-170.9	-62.3	0	0	0	0	115	R159 T164 V165 I166 E211	R159-S162 WeakPolarHBondContact CD-OG 3.5Å; S162-T164 VanDerWaalsContact C-N 3.32Å; S162-T164 PolarHBondContact O-N 2.96Å; S162-V165 CarbonylContact O-C 3.42Å; S162-V165 WeakPolarHBondContact O-CA 3.36Å; S162-V165 WeakPolarHBondContact O-CB 3.06Å; S162-V165 PolarHBondContact O-N 3.06Å; S162-I166 WeakPolarHBondContact O-CB 3.18Å; S162-I166 VanDerWaalsContact O-CG1 3.28Å; S162-I166 WeakPolarHBondContact O-CG1 3.34Å; S162-I166 PolarHBondContact O-N 2.91Å; S162-E211 VanDerWaalsContact CB-CD 3.44Å; S162-E211 WeakPolarHBondContact CB-OE1 3.22Å; S162-E211 WeakPolarHBondContact CB-OE2 3.1Å; S162-E211 PolarHBondContact OG-OE1 3.2Å; S162-E211 PolarHBondContact OG-OE2 3.22Å; S162-E211 VanDerWaalsContact OG-OE2 3.09Å
163	E	92.5	Very high	94.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-51.9	-49.6	178.3	-74.4	74.8	-167.5	0	0	111.7	T161 V165 I166 Y167 H213 F288 S311	T161-E163 WeakPolarHBondContact CB-OE2 3.02Å; T161-E163 VanDerWaalsContact CG2-OE2 3.27Å; T161-E163 WeakPolarHBondContact CG2-OE2 3.12Å; T161-E163 PolarHBondContact OG1-OE2 3.08Å; E163-V165 PolarHBondContact O-N 2.73Å; E163-I166 PolarHBondContact O-N 3.44Å; E163-Y167 HydrophobicContact CB-CD2 3.82Å; E163-Y167 HydrophobicContact CB-CE2 3.52Å; E163-Y167 HydrophobicContact CG-CD2 4.28Å; E163-Y167 HydrophobicContact CG-CE2 3.46Å; E163-Y167 VanDerWaalsContact CG-CE2 3.46Å; E163-Y167 VanDerWaalsContact O-CB 3.23Å; E163-Y167 WeakPolarHBondContact O-CB 3.33Å; E163-Y167 WeakPolarHBondContact O-CD2 3.47Å; E163-Y167 VanDerWaalsContact O-CG 3.23Å; E163-Y167 PolarHBondContact O-N 3.21Å; E163-H213 IonicContact OE1-CE1 2.66Å; E163-H213 PolarHBondContact OE1-CE1 3.12Å; E163-F288 HydrophobicContact CB-CD1 4.21Å; E163-F288 HydrophobicContact CB-CE1 4.03Å; E163-F288 HydrophobicContact CG-CD1 4.37Å; E163-F288 HydrophobicContact CG-CE1 4.09Å; E163-F288 HydrophobicContact CG-CZ 4.48Å; E163-S311 PolarHBondContact OE1-OG 2.8Å; E163-S311 VanDerWaalsContact OE1-OG 3.09Å
164	T	90.8	Very high	94.7	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-69.1	-17.2	178.9	62.7	0	0	0	0	113.9	V122 L127 E130 S162 P168 F292	V122-T164 WeakPolarHBondContact CG1-OG1 3.24Å; L127-T164 HydrophobicContact CD2-CG2 4.47Å; E130-T164 HydrophobicContact CB-CG2 3.66Å; E130-T164 HydrophobicContact CG-CG2 4.22Å; E130-T164 WeakPolarHBondContact OE2-CG2 3.46Å; S162-T164 VanDerWaalsContact C-N 3.32Å; S162-T164 PolarHBondContact O-N 2.96Å; T164-P168 WeakPolarHBondContact O-CD 3.32Å; T164-P168 WeakPolarHBondContact O-CG 3.46Å; T164-F292 HydrophobicContact CG2-CZ 4.06Å
165	V	93.3	Very high	94.6	Very high	20 Å²	20	30.9 Å²	30.9	12%	0.121	16%	0.157	C	C	.	.	H	α-helix	trans	-87.1	-40.8	176.5	-175.1	0	0	0	0	110.5	F118 V122 R159 S162 E163	F118-V165 HydrophobicContact CB-CG1 3.74Å; F118-V165 HydrophobicContact CG-CG1 4.42Å; V122-V165 HydrophobicContact CB-CG2 4.3Å; V122-V165 HydrophobicContact CG1-CG2 4.12Å; V122-V165 HydrophobicContact CG2-CG2 3.43Å; V122-V165 VanDerWaalsContact CG2-CG2 3.43Å; R159-V165 HydrophobicContact CB-CG2 4.46Å; S162-V165 CarbonylContact O-C 3.42Å; S162-V165 WeakPolarHBondContact O-CA 3.36Å; S162-V165 WeakPolarHBondContact O-CB 3.06Å; S162-V165 PolarHBondContact O-N 3.06Å; E163-V165 PolarHBondContact O-N 2.73Å
166	I	96.1	Very high	94.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-86.4	-45.8	-169.9	-67.2	175.2	0	0	0	111.3	F118 S162 E163 S169 F170 I184 H213	F118-I166 HydrophobicContact CD1-CG1 4.27Å; F118-I166 HydrophobicContact CD2-CD1 4.08Å; F118-I166 HydrophobicContact CD2-CG1 3.6Å; F118-I166 HydrophobicContact CE1-CG1 4.34Å; F118-I166 HydrophobicContact CE2-CB 4.37Å; F118-I166 HydrophobicContact CE2-CD1 4.13Å; F118-I166 HydrophobicContact CE2-CG1 3.66Å; F118-I166 HydrophobicContact CE2-CG2 4.12Å; F118-I166 HydrophobicContact CG-CG1 3.91Å; F118-I166 HydrophobicContact CZ-CB 4.3Å; F118-I166 HydrophobicContact CZ-CG1 4.04Å; F118-I166 HydrophobicContact CZ-CG2 3.93Å; S162-I166 WeakPolarHBondContact O-CB 3.18Å; S162-I166 VanDerWaalsContact O-CG1 3.28Å; S162-I166 WeakPolarHBondContact O-CG1 3.34Å; S162-I166 PolarHBondContact O-N 2.91Å; E163-I166 PolarHBondContact O-N 3.44Å; I166-S169 WeakPolarHBondContact O-CA 3.37Å; I166-S169 VanDerWaalsContact O-CB 3.26Å; I166-S169 WeakPolarHBondContact O-CB 3.43Å; I166-S169 PolarHBondContact O-N 2.72Å; I166-F170 HydrophobicContact CG2-CD1 3.72Å; I166-F170 HydrophobicContact CG2-CE1 3.29Å; I166-F170 HydrophobicContact CG2-CZ 3.77Å; I166-F170 PolarHBondContact O-N 3.03Å; I166-I184 HydrophobicContact CG2-CD1 4.03Å; I166-H213 WeakPolarHBondContact CD1-CD2 3.33Å; I166-H213 WeakPolarHBondContact CD1-NE2 3.2Å; I166-H213 HydrophobicContact CG2-CB 4.19Å
167	Y	95.9	Very high	94.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-31.4	-169.6	-66.3	-17.4	0	0	0	116.1	E163 S169 F170 A171 H213 L284 F288 F292 I294 Q309	E163-Y167 HydrophobicContact CB-CD2 3.82Å; E163-Y167 HydrophobicContact CB-CE2 3.52Å; E163-Y167 HydrophobicContact CG-CD2 4.28Å; E163-Y167 HydrophobicContact CG-CE2 3.46Å; E163-Y167 VanDerWaalsContact CG-CE2 3.46Å; E163-Y167 VanDerWaalsContact O-CB 3.23Å; E163-Y167 WeakPolarHBondContact O-CB 3.33Å; E163-Y167 WeakPolarHBondContact O-CD2 3.47Å; E163-Y167 VanDerWaalsContact O-CG 3.23Å; E163-Y167 PolarHBondContact O-N 3.21Å; Y167-S169 PolarHBondContact O-N 2.88Å; Y167-F170 HydrophobicContact CD1-CD2 4.07Å; Y167-F170 HydrophobicContact CD1-CE2 4.37Å; Y167-F170 HydrophobicContact CD1-CG 4.27Å; Y167-F170 HydrophobicContact CE1-CD2 4.34Å; Y167-F170 HydrophobicContact CE1-CE2 4.25Å; Y167-F170 PolarHBondContact O-N 2.95Å; Y167-F170 VanDerWaalsContact O-N 3.17Å; Y167-A171 PolarHBondContact O-N 3.04Å; Y167-A171 VanDerWaalsContact O-N 3.08Å; Y167-H213 HydrophobicContact CE1-CB 4.2Å; Y167-H213 AromaticContact CE1-ND1 3.67Å; Y167-H213 AromaticContact CZ-ND1 3.61Å; Y167-H213 PolarHBondContact OH-ND1 3.38Å; Y167-H213 VanDerWaalsContact OH-ND1 3.1Å; Y167-L284 HydrophobicContact CE2-CD1 4.21Å; Y167-L284 WeakPolarHBondContact OH-CD1 3.5Å; Y167-F288 HydrophobicContact CD2-CB 3.77Å; Y167-F288 AromaticContact CD2-CD1 3.92Å; Y167-F288 HydrophobicContact CD2-CD1 3.92Å; Y167-F288 HydrophobicContact CD2-CG 4.15Å; Y167-F288 HydrophobicContact CE2-CB 3.62Å; Y167-F288 AromaticContact CE2-CD1 3.74Å; Y167-F288 HydrophobicContact CE2-CD1 3.74Å; Y167-F288 AromaticContact CE2-CG 3.76Å; Y167-F288 HydrophobicContact CE2-CG 3.76Å; Y167-F292 AromaticContact CD2-CD2 3.95Å; Y167-F292 HydrophobicContact CD2-CD2 3.95Å; Y167-F292 HydrophobicContact CD2-CE2 4.17Å; Y167-F292 HydrophobicContact CG-CD2 4.35Å; Y167-I294 HydrophobicContact CD1-CD1 4.06Å; Y167-I294 HydrophobicContact CG-CD1 3.88Å; Y167-Q309 VanDerWaalsContact CD1-NE2 3.25Å; Y167-Q309 VanDerWaalsContact CZ-NE2 3.28Å
168	P	94.9	Very high	94.8	Very high	46 Å²	46	42 Å²	42	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-59.4	-27.2	167.4	-26.1	36	0	0	0	113.7	T164 K172 F292	T164-P168 WeakPolarHBondContact O-CD 3.32Å; T164-P168 WeakPolarHBondContact O-CG 3.46Å; P168-K172 WeakPolarHBondContact O-CG 3.13Å; P168-F292 HydrophobicContact CG-CD1 4.08Å; P168-F292 HydrophobicContact CG-CE1 4.21Å
169	S	97.4	Very high	94.9	Very high	26 Å²	26	43.4 Å²	43.4	18%	0.182	21%	0.206	C	C	.	.	H	α-helix	trans	-80	-38.2	175.5	-54.6	0	0	0	0	111.3	I166 Y167 A171 K172 W173	I166-S169 WeakPolarHBondContact O-CA 3.37Å; I166-S169 VanDerWaalsContact O-CB 3.26Å; I166-S169 WeakPolarHBondContact O-CB 3.43Å; I166-S169 PolarHBondContact O-N 2.72Å; Y167-S169 PolarHBondContact O-N 2.88Å; S169-A171 VanDerWaalsContact C-N 3.3Å; S169-A171 PolarHBondContact O-N 2.91Å; S169-K172 WeakPolarHBondContact O-CB 3.44Å; S169-K172 PolarHBondContact O-N 3.08Å; S169-W173 PolarHBondContact O-N 3.44Å
170	F	98.3	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-43.6	174.8	-81.6	29.8	0	0	0	111.4	I166 Y167 K172 W173 I174 L182 I184 H213 A215 I294	I166-F170 HydrophobicContact CG2-CD1 3.72Å; I166-F170 HydrophobicContact CG2-CE1 3.29Å; I166-F170 HydrophobicContact CG2-CZ 3.77Å; I166-F170 PolarHBondContact O-N 3.03Å; Y167-F170 HydrophobicContact CD1-CD2 4.07Å; Y167-F170 HydrophobicContact CD1-CE2 4.37Å; Y167-F170 HydrophobicContact CD1-CG 4.27Å; Y167-F170 HydrophobicContact CE1-CD2 4.34Å; Y167-F170 HydrophobicContact CE1-CE2 4.25Å; Y167-F170 PolarHBondContact O-N 2.95Å; Y167-F170 VanDerWaalsContact O-N 3.17Å; F170-K172 PolarHBondContact O-N 3.38Å; F170-W173 HydrophobicContact CD1-CE3 4.16Å; F170-W173 HydrophobicContact CD1-CZ3 4.24Å; F170-W173 HydrophobicContact CE1-CE3 4.47Å; F170-W173 HydrophobicContact CE1-CZ3 4.24Å; F170-W173 PolarHBondContact O-N 3.46Å; F170-I174 HydrophobicContact CB-CD1 4.2Å; F170-I174 HydrophobicContact CD2-CD1 4.32Å; F170-I174 HydrophobicContact CG-CD1 4.47Å; F170-I174 WeakPolarHBondContact O-CB 3.23Å; F170-I174 PolarHBondContact O-N 3.47Å; F170-L182 HydrophobicContact CD1-CD2 3.74Å; F170-L182 HydrophobicContact CD2-CD2 4.1Å; F170-L182 HydrophobicContact CE1-CD2 3.73Å; F170-L182 HydrophobicContact CE2-CD2 4.1Å; F170-L182 HydrophobicContact CG-CD2 3.93Å; F170-L182 HydrophobicContact CZ-CD2 3.93Å; F170-L182 HydrophobicContact CZ-CG 4.42Å; F170-I184 HydrophobicContact CE1-CD1 3.36Å; F170-I184 HydrophobicContact CE1-CG1 3.89Å; F170-I184 HydrophobicContact CZ-CD1 3.62Å; F170-I184 HydrophobicContact CZ-CG1 3.66Å; F170-H213 HydrophobicContact CE2-CB 4.32Å; F170-H213 HydrophobicContact CZ-CB 3.88Å; F170-A215 HydrophobicContact CD2-CB 4.06Å; F170-A215 HydrophobicContact CE2-CB 4.15Å; F170-I294 HydrophobicContact CB-CD1 3.79Å; F170-I294 HydrophobicContact CB-CG1 4.08Å; F170-I294 HydrophobicContact CB-CG2 3.96Å; F170-I294 HydrophobicContact CD2-CD1 4.45Å
171	A	97.4	Very high	95.5	Very high	27 Å²	27	47.6 Å²	47.6	22%	0.223	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-27.5	176.6	0	0	0	0	0	113.3	Y167 S169 Q175 F292 I294	Y167-A171 PolarHBondContact O-N 3.04Å; Y167-A171 VanDerWaalsContact O-N 3.08Å; S169-A171 VanDerWaalsContact C-N 3.3Å; S169-A171 PolarHBondContact O-N 2.91Å; A171-Q175 PolarHBondContact O-NE2 3.37Å; A171-F292 WeakPolarHBondContact CB-O 3.3Å; A171-I294 HydrophobicContact CB-CG1 4.04Å
172	K	97.6	Very high	96	Very high	150 Å²	150	48.8 Å²	48.8	65%	0.652	24%	0.238	S	C	*	.	H	α-helix	trans	-82	-41.3	175.3	-66	170.8	-173.7	174.8	0	111.8	P168 S169 F170 Q175	P168-K172 WeakPolarHBondContact O-CG 3.13Å; S169-K172 WeakPolarHBondContact O-CB 3.44Å; S169-K172 PolarHBondContact O-N 3.08Å; F170-K172 PolarHBondContact O-N 3.38Å; K172-Q175 PolarHBondContact O-NE2 3.42Å
173	W	98.2	Very high	96.2	Very high	126 Å²	126	51 Å²	51	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-77.6	-35.3	-174.2	-59.3	-19.8	0	0	0	113.1	F118 S169 F170 L182	F118-W173 AromaticContact CE1-CH2 3.7Å; F118-W173 HydrophobicContact CE1-CH2 3.7Å; F118-W173 HydrophobicContact CE1-CZ2 4.37Å; F118-W173 HydrophobicContact CE1-CZ3 4.39Å; F118-W173 AromaticContact CZ-CH2 3.51Å; F118-W173 HydrophobicContact CZ-CH2 3.51Å; F118-W173 AromaticContact CZ-CZ3 3.87Å; F118-W173 HydrophobicContact CZ-CZ3 3.87Å; S169-W173 PolarHBondContact O-N 3.44Å; F170-W173 HydrophobicContact CD1-CE3 4.16Å; F170-W173 HydrophobicContact CD1-CZ3 4.24Å; F170-W173 HydrophobicContact CE1-CE3 4.47Å; F170-W173 HydrophobicContact CE1-CZ3 4.24Å; F170-W173 PolarHBondContact O-N 3.46Å; W173-L182 HydrophobicContact CE3-CD2 3.94Å
174	I	98.3	Very high	96.5	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.25	C	S	.	.			trans	-90.8	114	-178.8	-61	163.7	0	0	0	108.6	F170 L180 L182 A215 I294 V307	F170-I174 HydrophobicContact CB-CD1 4.2Å; F170-I174 HydrophobicContact CD2-CD1 4.32Å; F170-I174 HydrophobicContact CG-CD1 4.47Å; F170-I174 WeakPolarHBondContact O-CB 3.23Å; F170-I174 PolarHBondContact O-N 3.47Å; I174-L180 HydrophobicContact CD1-CD2 3.94Å; I174-L180 HydrophobicContact CG1-CD2 4.21Å; I174-L180 HydrophobicContact CG2-CD2 4.03Å; I174-L180 HydrophobicContact CG2-CG 4.3Å; I174-L182 HydrophobicContact CD1-CB 4.26Å; I174-L182 HydrophobicContact CD1-CD2 3.98Å; I174-L182 HydrophobicContact CG1-CB 4.45Å; I174-L182 HydrophobicContact CG1-CD2 4.13Å; I174-A215 HydrophobicContact CD1-CB 3.65Å; I174-I294 HydrophobicContact CD1-CG2 3.75Å; I174-V307 HydrophobicContact CG2-CG1 4.3Å
175	Q	92.4	Very high	96.9	Very high	120 Å²	120	51.5 Å²	51.5	56%	0.561	25%	0.25	S	C	*	.			trans	-120.7	-30	175.8	-61.4	-59.1	-40	0	0	111.7	A171 K172 D179 K297	A171-Q175 PolarHBondContact O-NE2 3.37Å; K172-Q175 PolarHBondContact O-NE2 3.42Å; Q175-D179 PolarHBondContact N-OD2 3.41Å; Q175-K297 PolarHBondContact O-N 3.48Å
176	S	95	Very high	97.1	Very high	31 Å²	31	50.6 Å²	50.6	22%	0.217	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-139.2	166.3	-176.6	77.5	0	0	0	0	111.8	R178 D179	S176-R178 PolarHBondContact O-N 3.42Å; S176-R178 WeakPolarHBondContact OG-CB 3.42Å; S176-R178 PolarHBondContact OG-N 3.41Å; S176-D179 PolarHBondContact N-OD2 2.98Å; S176-D179 PolarHBondContact O-N 2.66Å; S176-D179 PolarHBondContact OG-OD2 3.42Å
177	H	94.4	Very high	97.3	Very high	71 Å²	71	52.6 Å²	52.6	33%	0.329	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-58.1	-16.2	173.6	66.2	-85.5	0	0	0	114	D179 L180 Y296 K297 P299	H177-D179 VanDerWaalsContact C-N 3.27Å; H177-L180 PolarHBondContact O-N 2.88Å; H177-Y296 HydrophobicContact CB-CD2 3.78Å; H177-Y296 HydrophobicContact CB-CE2 3.96Å; H177-K297 PolarHBondContact ND1-O 3.34Å; H177-P299 HydrophobicContact CB-CG 4.43Å
178	R	96.3	Very high	97.3	Very high	206 Å²	206	53.2 Å²	53.2	78%	0.777	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-75.2	-18.6	178.1	-59.1	-179.6	177.8	179.7	-2	112.9	S176 L180	S176-R178 PolarHBondContact O-N 3.42Å; S176-R178 WeakPolarHBondContact OG-CB 3.42Å; S176-R178 PolarHBondContact OG-N 3.41Å; R178-L180 PolarHBondContact O-N 3.41Å
179	D	97.8	Very high	97.4	Very high	65 Å²	65	53 Å²	53	35%	0.348	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-86.2	2.8	177.2	-48.2	-48.7	0	0	0	111.3	Q175 S176 H177	Q175-D179 PolarHBondContact N-OD2 3.41Å; S176-D179 PolarHBondContact N-OD2 2.98Å; S176-D179 PolarHBondContact O-N 2.66Å; S176-D179 PolarHBondContact OG-OD2 3.42Å; H177-D179 VanDerWaalsContact C-N 3.27Å
180	L	98.3	Very high	97.3	Very high	27 Å²	27	51.8 Å²	51.8	14%	0.141	24%	0.244	C	C	.	.			trans	-115.4	146.7	-176.2	-61.1	174.7	0	0	0	111.7	I174 H177 R178 A215 A217 Y296 V307	I174-L180 HydrophobicContact CD1-CD2 3.94Å; I174-L180 HydrophobicContact CG1-CD2 4.21Å; I174-L180 HydrophobicContact CG2-CD2 4.03Å; I174-L180 HydrophobicContact CG2-CG 4.3Å; H177-L180 PolarHBondContact O-N 2.88Å; R178-L180 PolarHBondContact O-N 3.41Å; L180-A215 HydrophobicContact CD2-CB 4.06Å; L180-A215 WeakPolarHBondContact CD2-O 3.18Å; L180-A217 HydrophobicContact CD1-CB 3.9Å; L180-Y296 HydrophobicContact CD1-CD1 3.77Å; L180-Y296 HydrophobicContact CD1-CD2 3.98Å; L180-Y296 HydrophobicContact CD1-CE1 4.21Å; L180-Y296 HydrophobicContact CD1-CE2 4.38Å; L180-Y296 HydrophobicContact CD1-CG 3.64Å; L180-V307 HydrophobicContact CD1-CG1 3.98Å; L180-V307 HydrophobicContact CD2-CG1 4.03Å
181	P	98.4	Very high	97.1	Very high	69 Å²	69	52.5 Å²	52.5	45%	0.448	25%	0.248	S	C	.	.	S	Bend	cis	-73.1	137.3	-6.7	31.6	-34.9	0	0	0	111.7	K183 A215 Y216	P181-K183 HydrophobicContact CB-CG 4.1Å; P181-K183 VanDerWaalsContact CG-CE 3.49Å; P181-K183 HydrophobicContact CG-CG 4.43Å; P181-A215 CarbonylContact C-O 3.53Å; P181-A215 VanDerWaalsContact CA-O 3.24Å; P181-A215 WeakPolarHBondContact CA-O 3.38Å; P181-Y216 HydrophobicContact CB-CD1 3.59Å; P181-Y216 HydrophobicContact CB-CE1 3.49Å; P181-Y216 VanDerWaalsContact CB-CE1 3.49Å; P181-Y216 HydrophobicContact CB-CG 4.19Å; P181-Y216 HydrophobicContact CG-CD1 4.44Å; P181-Y216 HydrophobicContact CG-CE1 4.07Å
182	L	98.7	Very high	96.8	Very high	35 Å²	35	55.5 Å²	55.5	18%	0.183	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117.9	167.5	175.1	65.2	0	0	0	107.4	F170 W173 I174 I184 T214 A215	F170-L182 HydrophobicContact CD1-CD2 3.74Å; F170-L182 HydrophobicContact CD2-CD2 4.1Å; F170-L182 HydrophobicContact CE1-CD2 3.73Å; F170-L182 HydrophobicContact CE2-CD2 4.1Å; F170-L182 HydrophobicContact CG-CD2 3.93Å; F170-L182 HydrophobicContact CZ-CD2 3.93Å; F170-L182 HydrophobicContact CZ-CG 4.42Å; W173-L182 HydrophobicContact CE3-CD2 3.94Å; I174-L182 HydrophobicContact CD1-CB 4.26Å; I174-L182 HydrophobicContact CD1-CD2 3.98Å; I174-L182 HydrophobicContact CG1-CB 4.45Å; I174-L182 HydrophobicContact CG1-CD2 4.13Å; L182-I184 HydrophobicContact CD1-CG2 4.09Å; L182-I184 HydrophobicContact CG-CG2 4.49Å; L182-T214 CarbonylContact O-C 3.54Å; L182-T214 WeakPolarHBondContact O-CA 3.49Å; L182-A215 HydrophobicContact CB-CB 4.44Å; L182-A215 PolarHBondContact N-O 3.45Å; L182-A215 PolarHBondContact O-N 3.03Å
183	K	98.8	Very high	96.3	Very high	46 Å²	46	54.4 Å²	54.4	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	113.8	-178.5	-48.9	-173.9	-163.8	-166.4	0	111.4	L111 V113 S114 P181 T214 Y216	L111-K183 PolarHBondContact O-NZ 3.07Å; V113-K183 HydrophobicContact CB-CB 4.41Å; V113-K183 HydrophobicContact CG1-CB 4.48Å; V113-K183 HydrophobicContact CG2-CB 4.09Å; V113-K183 HydrophobicContact CG2-CD 4.33Å; S114-K183 PolarHBondContact N-O 2.99Å; S114-K183 VanDerWaalsContact N-O 3.13Å; P181-K183 HydrophobicContact CB-CG 4.1Å; P181-K183 VanDerWaalsContact CG-CE 3.49Å; P181-K183 HydrophobicContact CG-CG 4.43Å; K183-T214 HydrophobicContact CB-CG2 3.88Å; K183-T214 HydrophobicContact CG-CG2 4.13Å; K183-Y216 WeakPolarHBondContact CD-OH 3.38Å; K183-Y216 WeakPolarHBondContact CE-OH 3.44Å; K183-Y216 PolarHBondContact NZ-OH 3.47Å
184	I	98.7	Very high	95.2	Very high	13 Å²	13	52.3 Å²	52.3	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.5	-178	59.5	156.7	0	0	0	112.4	S114 C116 F118 I166 F170 L182 G212 H213	S114-I184 CarbonylContact O-C 3.59Å; S114-I184 VanDerWaalsContact O-CA 3.25Å; S114-I184 WeakPolarHBondContact O-CA 3.17Å; C116-I184 VanDerWaalsContact SG-CD1 3.57Å; F118-I184 HydrophobicContact CE2-CD1 3.58Å; F118-I184 HydrophobicContact CZ-CD1 3.83Å; I166-I184 HydrophobicContact CG2-CD1 4.03Å; F170-I184 HydrophobicContact CE1-CD1 3.36Å; F170-I184 HydrophobicContact CE1-CG1 3.89Å; F170-I184 HydrophobicContact CZ-CD1 3.62Å; F170-I184 HydrophobicContact CZ-CG1 3.66Å; L182-I184 HydrophobicContact CD1-CG2 4.09Å; L182-I184 HydrophobicContact CG-CG2 4.49Å; I184-G212 WeakPolarHBondContact O-CA 3.3Å; I184-H213 HydrophobicContact CG1-CB 4.35Å; I184-H213 WeakPolarHBondContact CG1-O 3.44Å; I184-H213 PolarHBondContact N-O 3.3Å; I184-H213 VanDerWaalsContact N-O 3.1Å; I184-H213 PolarHBondContact O-N 3.18Å
185	N	98.8	Very high	93.8	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.3	173.7	173.8	56.3	0	0	0	110.1	I108 V113 S114 N115 C116 W187 Q210 E211 W312	I108-N185 HydrophobicContact CD1-CB 3.76Å; V113-N185 HydrophobicContact CG1-CB 3.7Å; S114-N185 PolarHBondContact O-N 3.49Å; N115-N185 CarbonylContact C-O 3.53Å; N115-N185 VanDerWaalsContact CA-O 3.28Å; N115-N185 WeakPolarHBondContact CA-O 3.48Å; N115-N185 WeakPolarHBondContact OD1-CB 3.3Å; N115-N185 PolarHBondContact OD1-ND2 3.38Å; C116-N185 PolarHBondContact N-O 2.94Å; C116-N185 PolarHBondContact SG-O 3.3Å; N185-W187 VanDerWaalsContact ND2-CD1 3.33Å; N185-W187 PolarHBondContact ND2-NE1 3.33Å; N185-Q210 PolarHBondContact OD1-NE2 3.49Å; N185-E211 CarbonylContact C-O 3.54Å; N185-E211 WeakPolarHBondContact CA-O 3.33Å; N185-E211 PolarHBondContact OD1-O 2.86Å; N185-E211 VanDerWaalsContact OD1-O 3.09Å; N185-W312 HydrophobicContact CB-CH2 4.35Å
186	Q	98.2	Very high	92.7	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.4	171.3	-178.4	171.4	22.4	0	0	109.6	F118 R159 C188 E211	F118-Q186 PolarHBondContact O-NE2 3.32Å; F118-Q186 VanDerWaalsContact O-NE2 3.09Å; R159-Q186 VanDerWaalsContact NH1-CD 3.26Å; Q186-C188 HydrophobicContact CG-CB 3.94Å; Q186-E211 HydrophobicContact CB-CG 4.03Å; Q186-E211 PolarHBondContact N-O 3.34Å; Q186-E211 PolarHBondContact O-N 3.22Å; Q186-E211 PolarHBondContact OE1-OE1 3.18Å
187	W	98.3	Very high	92.1	Very high	43 Å²	43	64.6 Å²	64.6	16%	0.163	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.8	163.3	-64.4	96.2	0	0	0	108.3	W97 Q101 F104 D105 N185 Q210	W97-W187 HydrophobicContact CH2-CE3 4.23Å; W97-W187 AromaticContact CH2-CZ3 3.62Å; W97-W187 HydrophobicContact CH2-CZ3 3.62Å; W97-W187 AromaticContact CZ2-CE3 3.6Å; W97-W187 HydrophobicContact CZ2-CE3 3.6Å; W97-W187 AromaticContact CZ2-CZ3 3.41Å; W97-W187 HydrophobicContact CZ2-CZ3 3.41Å; W97-W187 VanDerWaalsContact CZ2-CZ3 3.41Å; W97-W187 HydrophobicContact CZ3-CZ3 4.4Å; Q101-W187 HydrophobicContact CB-CH2 4.07Å; Q101-W187 HydrophobicContact CB-CZ2 4.14Å; Q101-W187 HydrophobicContact CB-CZ3 4.28Å; Q101-W187 HydrophobicContact CG-CD2 3.79Å; Q101-W187 HydrophobicContact CG-CE3 3.44Å; Q101-W187 VanDerWaalsContact CG-CE3 3.44Å; Q101-W187 HydrophobicContact CG-CH2 3.52Å; Q101-W187 HydrophobicContact CG-CZ2 3.86Å; Q101-W187 HydrophobicContact CG-CZ3 3.25Å; Q101-W187 VanDerWaalsContact NE2-CE3 3.32Å; F104-W187 HydrophobicContact CB-CH2 4.45Å; F104-W187 HydrophobicContact CB-CZ2 4.44Å; F104-W187 HydrophobicContact CD1-CH2 4.2Å; F104-W187 AromaticContact CD1-CZ2 3.97Å; F104-W187 HydrophobicContact CD1-CZ2 3.97Å; D105-W187 PolarHBondContact OD1-NE1 2.75Å; N185-W187 VanDerWaalsContact ND2-CD1 3.33Å; N185-W187 PolarHBondContact ND2-NE1 3.33Å; W187-Q210 HydrophobicContact CD2-CB 4.13Å; W187-Q210 HydrophobicContact CD2-CG 4.01Å; W187-Q210 HydrophobicContact CE3-CB 3.53Å; W187-Q210 HydrophobicContact CE3-CG 3.88Å; W187-Q210 HydrophobicContact CH2-CB 3.75Å; W187-Q210 HydrophobicContact CH2-CG 3.56Å; W187-Q210 HydrophobicContact CZ2-CB 4.3Å; W187-Q210 HydrophobicContact CZ2-CG 3.68Å; W187-Q210 HydrophobicContact CZ3-CB 3.36Å; W187-Q210 HydrophobicContact CZ3-CG 3.7Å
188	C	97.7	Very high	91.9	Very high	14 Å²	14	62.8 Å²	62.8	10%	0.095	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	-174.1	-176.6	59.1	0	0	0	0	112.6	R159 Q186 L208 W209 E211	R159-C188 VanDerWaalsContact NH2-CB 3.26Å; Q186-C188 HydrophobicContact CG-CB 3.94Å; C188-L208 CarbonylContact O-C 3.45Å; C188-L208 WeakPolarHBondContact O-CA 3.16Å; C188-W209 PolarHBondContact N-O 3.25Å; C188-W209 PolarHBondContact O-N 2.88Å; C188-W209 VanDerWaalsContact O-O 3.08Å; C188-E211 PolarHBondContact SG-OE1 3.01Å
189	N	96.5	Very high	91.7	Very high	42 Å²	42	55.5 Å²	55.5	23%	0.225	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	153.2	165.5	63.5	-44.7	0	0	0	110.3	R159 E206 F207 L208	R159-N189 PolarHBondContact NE-O 2.88Å; R159-N189 VanDerWaalsContact NE-O 3.13Å; N189-E206 HydrophobicContact CB-CG 4.42Å; N189-E206 PolarHBondContact ND2-OE1 2.98Å; N189-F207 VanDerWaalsContact CA-O 3.27Å; N189-F207 WeakPolarHBondContact CA-O 3.47Å; N189-L208 HydrophobicContact CB-CD2 4.19Å
190	V	94.8	Very high	91.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	161.4	170.8	-65.4	0	0	0	0	111.3	R159 E206 F207 W209	R159-V190 HydrophobicContact CG-CG1 4.13Å; R159-V190 WeakPolarHBondContact O-CB 3.2Å; V190-E206 WeakPolarHBondContact O-CA 3.41Å; V190-F207 HydrophobicContact CG2-CD1 4.25Å; V190-F207 HydrophobicContact CG2-CD2 3.9Å; V190-F207 HydrophobicContact CG2-CE1 3.7Å; V190-F207 HydrophobicContact CG2-CE2 3.29Å; V190-F207 HydrophobicContact CG2-CG 4.34Å; V190-F207 HydrophobicContact CG2-CZ 3.19Å; V190-F207 PolarHBondContact N-O 2.78Å; V190-F207 VanDerWaalsContact N-O 3.17Å; V190-F207 PolarHBondContact O-N 3.42Å; V190-W209 HydrophobicContact CB-CE3 3.87Å; V190-W209 HydrophobicContact CB-CZ3 4.25Å; V190-W209 HydrophobicContact CG1-CD2 4.41Å; V190-W209 HydrophobicContact CG1-CE3 3.29Å; V190-W209 HydrophobicContact CG1-CZ3 3.69Å; V190-W209 HydrophobicContact CG2-CD2 4.4Å; V190-W209 HydrophobicContact CG2-CE3 3.39Å; V190-W209 HydrophobicContact CG2-CZ3 3.98Å
191	V	94.2	Very high	91.3	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124	175.6	178.4	0	0	0	0	110.8	A142 I158 R159 P160 W193 R205 E206	A142-V191 HydrophobicContact CB-CG1 3.84Å; I158-V191 HydrophobicContact CB-CB 4.31Å; I158-V191 HydrophobicContact CG2-CB 3.62Å; I158-V191 HydrophobicContact CG2-CG2 3.61Å; R159-V191 PolarHBondContact O-N 3.32Å; R159-V191 VanDerWaalsContact O-N 3.11Å; P160-V191 WeakPolarHBondContact CA-O 3.33Å; V191-W193 HydrophobicContact CG1-CE3 4.13Å; V191-R205 CarbonylContact C-O 3.57Å; V191-R205 WeakPolarHBondContact CA-O 3.39Å; V191-E206 HydrophobicContact CG2-CB 4.38Å; V191-E206 HydrophobicContact CG2-CG 4.43Å
192	R	91.8	Very high	91.1	Very high	90 Å²	90	49.3 Å²	49.3	34%	0.34	23%	0.226	S	C	.	.			trans	-120.7	111.2	172.3	-66.4	-172.4	-174.3	170.2	2.6	109.7	P160 E194 R205 F207	P160-R192 HydrophobicContact CB-CG 4.2Å; P160-R192 PolarHBondContact O-NE 3.29Å; P160-R192 PolarHBondContact O-NH2 2.88Å; R192-E194 PolarHBondContact O-N 3.43Å; R192-R205 PolarHBondContact N-O 3.08Å; R192-R205 WeakPolarHBondContact O-CA 3.27Å; R192-F207 HydrophobicContact CG-CE1 4.25Å; R192-F207 HydrophobicContact CG-CZ 4.48Å
193	W	87	Confident	90.7	Very high	127 Å²	127	52.7 Å²	52.7	48%	0.481	24%	0.237	S	C	.	.			trans	-92.6	63.4	-171.5	-156.5	-89.8	0	0	0	112.4	E140 A142 V191	E140-W193 PolarHBondContact O-N 3.34Å; A142-W193 HydrophobicContact CB-CB 4.38Å; A142-W193 HydrophobicContact CB-CD2 4.48Å; A142-W193 HydrophobicContact CB-CE3 4.06Å; V191-W193 HydrophobicContact CG1-CE3 4.13Å
194	E	73.7	Confident	90.4	Very high	82 Å²	82	51.3 Å²	51.3	38%	0.383	23%	0.232	S	C	.	.			trans	-122.3	165.7	177	-160.9	-170.3	165.6	0	0	112.5	E140 R192	E140-E194 HydrophobicContact CB-CB 4.15Å; E140-E194 VanDerWaalsContact CD-CB 3.42Å; E140-E194 HydrophobicContact CG-CB 3.65Å; E140-E194 HydrophobicContact CG-CG 4.04Å; E140-E194 WeakPolarHBondContact OE2-CB 3.23Å; R192-E194 PolarHBondContact O-N 3.43Å
195	F	70.6	Confident	90.1	Very high	68 Å²	68	53 Å²	53	30%	0.298	24%	0.238	S	C	.	.			trans	80.7	160.3	165.1	-40.8	-68.7	0	0	0	119.4	R203	F195-R203 VanDerWaalsContact CD1-CZ 3.46Å; F195-R203 HydrophobicContact CD2-CG 3.82Å; F195-R203 VanDerWaalsContact CD2-NE 3.32Å; F195-R203 HydrophobicContact CE2-CG 3.77Å
196	K	69.1	Low	89.9	Confident	189 Å²	189	56.7 Å²	56.7	82%	0.822	26%	0.255	S	S	*	.	S	Bend	trans	-94.9	-16	173.4	-65.4	-178.3	179.2	178.3	0	113.9
197	H	82.1	Confident	89.8	Confident	153 Å²	153	58 Å²	58	71%	0.708	26%	0.261	S	S	*	.			trans	-138.9	74.1	-169.4	-56.2	-60.7	0	0	0	113.4
198	P	89	Confident	89.8	Confident	32 Å²	32	57.8 Å²	57.8	21%	0.208	26%	0.262	C	S	.	.			trans	-68.1	137.9	177.3	30.2	-35	0	0	0	111.2	Y87 R203	Y87-P198 WeakPolarHBondContact OH-CB 3.5Å; Y87-P198 PolarHBondContact OH-O 3.02Å; P198-R203 CarbonylContact C-O 3.53Å; P198-R203 VanDerWaalsContact CA-O 3.25Å; P198-R203 WeakPolarHBondContact CA-O 3.39Å
199	T	92.1	Very high	89.8	Confident	54 Å²	54	58.2 Å²	58.2	33%	0.331	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-123.6	122.9	177.8	-56.1	0	0	0	0	108.5	Y68 F201 L202 R203 T204	Y68-T199 HydrophobicContact CD1-CG2 4.09Å; Y68-T199 HydrophobicContact CE1-CG2 3.95Å; T199-F201 PolarHBondContact O-N 3.35Å; T199-L202 HydrophobicContact CG2-CB 4.33Å; T199-L202 HydrophobicContact CG2-CD1 3.84Å; T199-L202 PolarHBondContact O-N 3.48Å; T199-R203 PolarHBondContact N-O 3Å; T199-R203 CarbonylContact O-C 3.47Å; T199-R203 PolarHBondContact O-N 3.38Å; T199-R203 VanDerWaalsContact O-O 3.14Å; T199-T204 WeakPolarHBondContact O-CG2 3.48Å
200	P	94	Very high	89.9	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.019	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	140.5	-176.3	-26.1	31.4	0	0	0	112.7	Y68 I72 V78 Y87 L202	Y68-P200 PolarHBondContact OH-O 3.33Å; I72-P200 HydrophobicContact CD1-CB 3.59Å; I72-P200 HydrophobicContact CD1-CG 3.58Å; V78-P200 HydrophobicContact CG1-CB 4.3Å; V78-P200 HydrophobicContact CG1-CG 4.4Å; Y87-P200 HydrophobicContact CD1-CB 4.31Å; Y87-P200 HydrophobicContact CD1-CG 3.85Å; Y87-P200 HydrophobicContact CD2-CB 4.45Å; Y87-P200 HydrophobicContact CE1-CB 4.31Å; Y87-P200 HydrophobicContact CE1-CG 3.51Å; Y87-P200 HydrophobicContact CE2-CB 4.44Å; Y87-P200 HydrophobicContact CE2-CG 4.31Å; Y87-P200 HydrophobicContact CG-CB 4.38Å; Y87-P200 HydrophobicContact CG-CG 4.38Å; P200-L202 PolarHBondContact O-N 3.04Å
201	F	95.5	Very high	90	Very high	12 Å²	12	56.2 Å²	56.2	5%	0.053	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-27.8	-177.6	-58.2	-56.1	0	0	0	116.5	M77 V78 I89 A93 T199 R317 I319	M77-F201 HydrophobicContact CB-CE2 4.33Å; V78-F201 HydrophobicContact CB-CE2 4.42Å; V78-F201 HydrophobicContact CG2-CD2 4.32Å; V78-F201 HydrophobicContact CG2-CE1 4.08Å; V78-F201 HydrophobicContact CG2-CE2 3.43Å; V78-F201 VanDerWaalsContact CG2-CE2 3.43Å; V78-F201 HydrophobicContact CG2-CZ 3.29Å; I89-F201 HydrophobicContact CD1-CE1 4.13Å; I89-F201 HydrophobicContact CG1-CE1 4.06Å; I89-F201 HydrophobicContact CG2-CE1 4.39Å; I89-F201 HydrophobicContact CG2-CZ 4.46Å; A93-F201 HydrophobicContact CB-CZ 3.78Å; T199-F201 PolarHBondContact O-N 3.35Å; F201-R317 WeakPolarHBondContact O-CA 3.38Å; F201-R317 PolarHBondContact O-N 2.87Å; F201-I319 HydrophobicContact CD1-CB 4.4Å; F201-I319 HydrophobicContact CD2-CB 4.5Å; F201-I319 HydrophobicContact CD2-CG2 4.03Å; F201-I319 HydrophobicContact CE1-CD1 4.1Å; F201-I319 HydrophobicContact CE1-CG2 4.45Å; F201-I319 HydrophobicContact CE2-CG2 3.88Å; F201-I319 HydrophobicContact CG-CB 4.35Å; F201-I319 HydrophobicContact CG-CG2 4.37Å; F201-I319 HydrophobicContact CZ-CD1 4.42Å; F201-I319 HydrophobicContact CZ-CG2 4.09Å
202	L	92.8	Very high	90.2	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.079	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-53.9	179.3	-75.1	169.1	0	0	0	112.4	Y68 T199 P200 I276 R317 S320 M324 Y533	Y68-L202 HydrophobicContact CE1-CD1 4.29Å; T199-L202 HydrophobicContact CG2-CB 4.33Å; T199-L202 HydrophobicContact CG2-CD1 3.84Å; T199-L202 PolarHBondContact O-N 3.48Å; P200-L202 PolarHBondContact O-N 3.04Å; L202-I276 HydrophobicContact CD2-CD1 3.53Å; L202-R317 PolarHBondContact O-NE 2.97Å; L202-R317 PolarHBondContact O-NH2 2.68Å; L202-S320 WeakPolarHBondContact CD2-OG 3.46Å; L202-M324 HydrophobicContact CD1-CE 4.3Å; L202-M324 HydrophobicContact CD1-SD 3.82Å; L202-M324 HydrophobicContact CD2-CE 3.59Å; L202-M324 HydrophobicContact CD2-SD 4.22Å; L202-M324 HydrophobicContact CG-CE 4.42Å; L202-Y533 HydrophobicContact CD1-CD1 4.16Å; L202-Y533 HydrophobicContact CD1-CE1 3.95Å; L202-Y533 HydrophobicContact CD2-CD1 4.2Å
203	R	90.4	Very high	90.6	Very high	107 Å²	107	51.3 Å²	51.3	40%	0.404	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-150.7	94.3	-173.3	-164.5	-179.8	-148.9	162.7	9.1	108.8	F195 P198 T199	F195-R203 VanDerWaalsContact CD1-CZ 3.46Å; F195-R203 HydrophobicContact CD2-CG 3.82Å; F195-R203 VanDerWaalsContact CD2-NE 3.32Å; F195-R203 HydrophobicContact CE2-CG 3.77Å; P198-R203 CarbonylContact C-O 3.53Å; P198-R203 VanDerWaalsContact CA-O 3.25Å; P198-R203 WeakPolarHBondContact CA-O 3.39Å; T199-R203 PolarHBondContact N-O 3Å; T199-R203 CarbonylContact O-C 3.47Å; T199-R203 PolarHBondContact O-N 3.38Å; T199-R203 VanDerWaalsContact O-O 3.14Å
204	T	92.4	Very high	91.1	Very high	16 Å²	16	45.3 Å²	45.3	10%	0.098	21%	0.209	C	C	.	.			trans	-122.5	164.6	-175.2	64.4	0	0	0	0	109.7	G85 Y87 T199 E206 F207	G85-T204 WeakPolarHBondContact O-CB 3.35Å; Y87-T204 HydrophobicContact CD2-CG2 3.61Å; Y87-T204 HydrophobicContact CE2-CG2 3.37Å; T199-T204 WeakPolarHBondContact O-CG2 3.48Å; T204-E206 WeakPolarHBondContact CB-O 3.3Å; T204-E206 PolarHBondContact OG1-O 2.94Å; T204-F207 WeakPolarHBondContact OG1-CB 3.32Å
205	R	92.7	Very high	92.3	Very high	48 Å²	48	41.4 Å²	41.4	18%	0.181	19%	0.19	C	C	.	.	S	Bend	trans	-76.1	-38.9	173	-72.8	-174.8	-178.3	159.8	-9.9	111.4	S84 G85 V191 R192	S84-R205 VanDerWaalsContact O-CD 3.29Å; S84-R205 WeakPolarHBondContact O-CD 3.35Å; S84-R205 PolarHBondContact O-NH1 2.85Å; G85-R205 PolarHBondContact O-N 3.47Å; V191-R205 CarbonylContact C-O 3.57Å; V191-R205 WeakPolarHBondContact CA-O 3.39Å; R192-R205 PolarHBondContact N-O 3.08Å; R192-R205 WeakPolarHBondContact O-CA 3.27Å
206	E	94.8	Very high	93.7	Very high	80 Å²	80	38.8 Å²	38.8	37%	0.374	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.7	175.6	-176.7	178.7	-165.8	0	0	109.7	N189 V190 V191 T204	N189-E206 HydrophobicContact CB-CG 4.42Å; N189-E206 PolarHBondContact ND2-OE1 2.98Å; V190-E206 WeakPolarHBondContact O-CA 3.41Å; V191-E206 HydrophobicContact CG2-CB 4.38Å; V191-E206 HydrophobicContact CG2-CG 4.43Å; T204-E206 WeakPolarHBondContact CB-O 3.3Å; T204-E206 PolarHBondContact OG1-O 2.94Å
207	F	96	Very high	95	Very high	28 Å²	28	31.6 Å²	31.6	12%	0.123	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.1	175.3	52.8	-86.7	0	0	0	111.5	N189 V190 R192 T204 W209 T315	N189-F207 VanDerWaalsContact CA-O 3.27Å; N189-F207 WeakPolarHBondContact CA-O 3.47Å; V190-F207 HydrophobicContact CG2-CD1 4.25Å; V190-F207 HydrophobicContact CG2-CD2 3.9Å; V190-F207 HydrophobicContact CG2-CE1 3.7Å; V190-F207 HydrophobicContact CG2-CE2 3.29Å; V190-F207 HydrophobicContact CG2-CG 4.34Å; V190-F207 HydrophobicContact CG2-CZ 3.19Å; V190-F207 PolarHBondContact N-O 2.78Å; V190-F207 VanDerWaalsContact N-O 3.17Å; V190-F207 PolarHBondContact O-N 3.42Å; R192-F207 HydrophobicContact CG-CE1 4.25Å; R192-F207 HydrophobicContact CG-CZ 4.48Å; T204-F207 WeakPolarHBondContact OG1-CB 3.32Å; F207-W209 HydrophobicContact CD2-CB 4.26Å; F207-W209 HydrophobicContact CE2-CB 4.2Å; F207-W209 HydrophobicContact CE2-CD2 4.35Å; F207-W209 HydrophobicContact CE2-CE3 4.19Å; F207-W209 HydrophobicContact CE2-CG 4.34Å; F207-T315 HydrophobicContact CD2-CG2 3.72Å; F207-T315 HydrophobicContact CE2-CG2 3.6Å
208	L	98	Very high	95.7	Very high	38 Å²	38	25.7 Å²	25.7	20%	0.199	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	135.7	172.3	-48.1	178.2	0	0	0	109.3	I89 Y94 W97 C188 N189 T315 T316	I89-L208 HydrophobicContact CD1-CD1 3.8Å; I89-L208 HydrophobicContact CD1-CG 3.96Å; Y94-L208 HydrophobicContact CD2-CD1 4.3Å; Y94-L208 HydrophobicContact CE2-CD1 3.93Å; W97-L208 HydrophobicContact CG-CD1 4.24Å; W97-L208 HydrophobicContact CZ2-CB 3.97Å; C188-L208 CarbonylContact O-C 3.45Å; C188-L208 WeakPolarHBondContact O-CA 3.16Å; N189-L208 HydrophobicContact CB-CD2 4.19Å; L208-T315 WeakPolarHBondContact O-CA 3.36Å; L208-T315 WeakPolarHBondContact O-CB 3.16Å; L208-T316 HydrophobicContact CB-CG2 3.74Å; L208-T316 HydrophobicContact CD1-CG2 4.21Å; L208-T316 HydrophobicContact CG-CG2 4.18Å; L208-T316 PolarHBondContact O-N 3.44Å
209	W	97.4	Very high	96.2	Very high	23 Å²	23	28.2 Å²	28.2	9%	0.087	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.9	-172	-170.9	3.5	0	0	0	109.4	P160 C188 V190 F207 E211 L314 T315	P160-W209 WeakPolarHBondContact O-CZ3 3.39Å; C188-W209 PolarHBondContact N-O 3.25Å; C188-W209 PolarHBondContact O-N 2.88Å; C188-W209 VanDerWaalsContact O-O 3.08Å; V190-W209 HydrophobicContact CB-CE3 3.87Å; V190-W209 HydrophobicContact CB-CZ3 4.25Å; V190-W209 HydrophobicContact CG1-CD2 4.41Å; V190-W209 HydrophobicContact CG1-CE3 3.29Å; V190-W209 HydrophobicContact CG1-CZ3 3.69Å; V190-W209 HydrophobicContact CG2-CD2 4.4Å; V190-W209 HydrophobicContact CG2-CE3 3.39Å; V190-W209 HydrophobicContact CG2-CZ3 3.98Å; F207-W209 HydrophobicContact CD2-CB 4.26Å; F207-W209 HydrophobicContact CE2-CB 4.2Å; F207-W209 HydrophobicContact CE2-CD2 4.35Å; F207-W209 HydrophobicContact CE2-CE3 4.19Å; F207-W209 HydrophobicContact CE2-CG 4.34Å; W209-E211 HydrophobicContact CZ2-CB 4.36Å; W209-L314 VanDerWaalsContact CD1-O 3.24Å; W209-T315 HydrophobicContact CB-CG2 4.24Å; W209-T315 HydrophobicContact CG-CG2 3.96Å
210	Q	98.6	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.4	160.1	-174.8	-82.8	-64.1	0	0	109.2	F104 N185 W187 Y233 W312 G313 L314	F104-Q210 HydrophobicContact CD1-CG 4.09Å; F104-Q210 VanDerWaalsContact CE1-CD 3.48Å; F104-Q210 HydrophobicContact CE1-CG 3.94Å; F104-Q210 VanDerWaalsContact CE1-OE1 3.3Å; N185-Q210 PolarHBondContact OD1-NE2 3.49Å; W187-Q210 HydrophobicContact CD2-CB 4.13Å; W187-Q210 HydrophobicContact CD2-CG 4.01Å; W187-Q210 HydrophobicContact CE3-CB 3.53Å; W187-Q210 HydrophobicContact CE3-CG 3.88Å; W187-Q210 HydrophobicContact CH2-CB 3.75Å; W187-Q210 HydrophobicContact CH2-CG 3.56Å; W187-Q210 HydrophobicContact CZ2-CB 4.3Å; W187-Q210 HydrophobicContact CZ2-CG 3.68Å; W187-Q210 HydrophobicContact CZ3-CB 3.36Å; W187-Q210 HydrophobicContact CZ3-CG 3.7Å; Q210-Y233 PolarHBondContact OE1-OH 3.03Å; Q210-W312 VanDerWaalsContact NE2-CE3 3.3Å; Q210-G313 WeakPolarHBondContact O-CA 3.4Å; Q210-L314 HydrophobicContact CB-CD2 3.72Å; Q210-L314 HydrophobicContact CB-CG 4.27Å; Q210-L314 HydrophobicContact CG-CD2 3.93Å; Q210-L314 PolarHBondContact N-O 2.72Å; Q210-L314 PolarHBondContact O-N 2.77Å
211	E	98.4	Very high	96.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.2	172.9	65.2	-169.2	160	0	0	111.3	R159 S162 N185 Q186 C188 W209 H213 W312	R159-E211 IonicContact NH1-OE1 2.65Å; S162-E211 VanDerWaalsContact CB-CD 3.44Å; S162-E211 WeakPolarHBondContact CB-OE1 3.22Å; S162-E211 WeakPolarHBondContact CB-OE2 3.1Å; S162-E211 PolarHBondContact OG-OE1 3.2Å; S162-E211 PolarHBondContact OG-OE2 3.22Å; S162-E211 VanDerWaalsContact OG-OE2 3.09Å; N185-E211 CarbonylContact C-O 3.54Å; N185-E211 WeakPolarHBondContact CA-O 3.33Å; N185-E211 PolarHBondContact OD1-O 2.86Å; N185-E211 VanDerWaalsContact OD1-O 3.09Å; Q186-E211 HydrophobicContact CB-CG 4.03Å; Q186-E211 PolarHBondContact N-O 3.34Å; Q186-E211 PolarHBondContact O-N 3.22Å; Q186-E211 PolarHBondContact OE1-OE1 3.18Å; C188-E211 PolarHBondContact SG-OE1 3.01Å; W209-E211 HydrophobicContact CZ2-CB 4.36Å; E211-H213 IonicContact OE2-NE2 3.25Å; E211-W312 CarbonylContact C-O 3.58Å; E211-W312 WeakPolarHBondContact CA-O 3.5Å
212	G	98.7	Very high	96.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.9	174.4	0	0	0	0	0	110.4	I184 S311 W312	I184-G212 WeakPolarHBondContact O-CA 3.3Å; G212-S311 CarbonylContact O-C 3.5Å; G212-S311 VanDerWaalsContact O-CA 3.27Å; G212-S311 WeakPolarHBondContact O-CA 3.08Å; G212-W312 PolarHBondContact N-O 3.01Å; G212-W312 PolarHBondContact O-N 3.15Å
213	H	98.7	Very high	97.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.7	179.5	-64.6	-99.5	0	0	0	109	E163 I166 Y167 F170 I184 E211 N310 S311	E163-H213 IonicContact OE1-CE1 2.66Å; E163-H213 PolarHBondContact OE1-CE1 3.12Å; I166-H213 WeakPolarHBondContact CD1-CD2 3.33Å; I166-H213 WeakPolarHBondContact CD1-NE2 3.2Å; I166-H213 HydrophobicContact CG2-CB 4.19Å; Y167-H213 HydrophobicContact CE1-CB 4.2Å; Y167-H213 AromaticContact CE1-ND1 3.67Å; Y167-H213 AromaticContact CZ-ND1 3.61Å; Y167-H213 PolarHBondContact OH-ND1 3.38Å; Y167-H213 VanDerWaalsContact OH-ND1 3.1Å; F170-H213 HydrophobicContact CE2-CB 4.32Å; F170-H213 HydrophobicContact CZ-CB 3.88Å; I184-H213 HydrophobicContact CG1-CB 4.35Å; I184-H213 WeakPolarHBondContact CG1-O 3.44Å; I184-H213 PolarHBondContact N-O 3.3Å; I184-H213 VanDerWaalsContact N-O 3.1Å; I184-H213 PolarHBondContact O-N 3.18Å; E211-H213 IonicContact OE2-NE2 3.25Å; H213-N310 WeakPolarHBondContact CA-O 3.37Å; H213-S311 PolarHBondContact CE1-OG 2.86Å
214	T	98.8	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.4	-175.3	66.9	0	0	0	0	111.2	L182 K183 Y216 E225 Q309 N310 W312	L182-T214 CarbonylContact O-C 3.54Å; L182-T214 WeakPolarHBondContact O-CA 3.49Å; K183-T214 HydrophobicContact CB-CG2 3.88Å; K183-T214 HydrophobicContact CG-CG2 4.13Å; T214-Y216 WeakPolarHBondContact OG1-CE2 3.15Å; T214-E225 WeakPolarHBondContact CB-OE2 3.09Å; T214-E225 WeakPolarHBondContact CG2-OE1 3.46Å; T214-E225 VanDerWaalsContact CG2-OE2 3.25Å; T214-E225 WeakPolarHBondContact CG2-OE2 3.27Å; T214-E225 PolarHBondContact OG1-OE2 2.81Å; T214-Q309 VanDerWaalsContact O-CA 3.24Å; T214-Q309 WeakPolarHBondContact O-CA 3.36Å; T214-N310 PolarHBondContact N-O 3.12Å; T214-N310 VanDerWaalsContact N-O 3.14Å; T214-N310 PolarHBondContact O-N 2.94Å; T214-N310 VanDerWaalsContact O-N 3.17Å; T214-N310 WeakPolarHBondContact OG1-CB 3.47Å; T214-W312 HydrophobicContact CG2-CZ2 4.31Å
215	A	98.8	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131	177.9	0	0	0	0	0	110.1	F170 I174 L180 P181 L182 V307 Y308	F170-A215 HydrophobicContact CD2-CB 4.06Å; F170-A215 HydrophobicContact CE2-CB 4.15Å; I174-A215 HydrophobicContact CD1-CB 3.65Å; L180-A215 HydrophobicContact CD2-CB 4.06Å; L180-A215 WeakPolarHBondContact CD2-O 3.18Å; P181-A215 CarbonylContact C-O 3.53Å; P181-A215 VanDerWaalsContact CA-O 3.24Å; P181-A215 WeakPolarHBondContact CA-O 3.38Å; L182-A215 HydrophobicContact CB-CB 4.44Å; L182-A215 PolarHBondContact N-O 3.45Å; L182-A215 PolarHBondContact O-N 3.03Å; A215-V307 HydrophobicContact CB-CB 4.13Å; A215-V307 HydrophobicContact CB-CG1 4.48Å; A215-V307 HydrophobicContact CB-CG2 3.86Å; A215-Y308 CarbonylContact C-O 3.58Å; A215-Y308 WeakPolarHBondContact CA-O 3.47Å
216	Y	98.6	Very high	98.1	Very high	13 Å²	13	34.3 Å²	34.3	5%	0.051	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.5	-175.4	-72.2	-94.6	0	0	0	111.2	P181 K183 T214 D221 A222 E225 V307 Y308	P181-Y216 HydrophobicContact CB-CD1 3.59Å; P181-Y216 HydrophobicContact CB-CE1 3.49Å; P181-Y216 VanDerWaalsContact CB-CE1 3.49Å; P181-Y216 HydrophobicContact CB-CG 4.19Å; P181-Y216 HydrophobicContact CG-CD1 4.44Å; P181-Y216 HydrophobicContact CG-CE1 4.07Å; K183-Y216 WeakPolarHBondContact CD-OH 3.38Å; K183-Y216 WeakPolarHBondContact CE-OH 3.44Å; K183-Y216 PolarHBondContact NZ-OH 3.47Å; T214-Y216 WeakPolarHBondContact OG1-CE2 3.15Å; Y216-D221 HydrophobicContact CD1-CB 3.65Å; Y216-D221 HydrophobicContact CE1-CB 4.05Å; Y216-D221 HydrophobicContact CG-CB 4.46Å; Y216-A222 HydrophobicContact CD2-CB 3.88Å; Y216-A222 HydrophobicContact CG-CB 4.05Å; Y216-E225 HydrophobicContact CE2-CB 4.36Å; Y216-E225 PolarHBondContact OH-OE1 3.32Å; Y216-V307 WeakPolarHBondContact O-CA 3.38Å; Y216-Y308 PolarHBondContact N-O 3.07Å; Y216-Y308 PolarHBondContact O-N 2.86Å
217	A	97.9	Very high	98.3	Very high	39 Å²	39	34.4 Å²	34.4	32%	0.322	17%	0.169	S	C	.	.	S	Bend	trans	-78.9	-39.8	169.8	0	0	0	0	0	111.9	L180 Y296 Y308	L180-A217 HydrophobicContact CD1-CB 3.9Å; A217-Y296 HydrophobicContact CB-CE1 4.24Å; A217-Y296 HydrophobicContact CB-CE2 4.13Å; A217-Y308 WeakPolarHBondContact O-CD2 3.44Å
218	S	97.1	Very high	98.5	Very high	29 Å²	29	35.4 Å²	35.4	20%	0.203	18%	0.176	C	C	.	.			trans	-94.8	141.1	-179.8	157.2	0	0	0	0	111.5	E220 D221 A222	S218-E220 PolarHBondContact OG-N 3.31Å; S218-E220 PolarHBondContact OG-OE2 3.46Å; S218-D221 PolarHBondContact OG-N 3.44Å; S218-A222 PolarHBondContact O-N 3.1Å
219	K	98.4	Very high	98.5	Very high	84 Å²	84	33.6 Å²	33.6	37%	0.365	17%	0.166	S	C	.	.	H	α-helix	trans	-67.4	-41.7	171.7	-176.6	174.3	179.2	169.8	0	111	D221 A222 V223 Y308	K219-D221 PolarHBondContact O-N 3.29Å; K219-A222 PolarHBondContact O-N 3.35Å; K219-V223 HydrophobicContact CG-CG2 4.1Å; K219-V223 WeakPolarHBondContact O-CB 3.12Å; K219-V223 WeakPolarHBondContact O-CG2 3.41Å; K219-V223 PolarHBondContact O-N 2.84Å; K219-Y308 HydrophobicContact CB-CD1 3.88Å; K219-Y308 HydrophobicContact CB-CD2 4.25Å; K219-Y308 HydrophobicContact CB-CE1 3.64Å; K219-Y308 HydrophobicContact CB-CE2 4.02Å; K219-Y308 HydrophobicContact CB-CG 4.18Å; K219-Y308 HydrophobicContact CD-CE1 4Å; K219-Y308 HydrophobicContact CG-CD1 4.01Å; K219-Y308 HydrophobicContact CG-CE1 3.86Å
220	E	98.6	Very high	98.6	Very high	135 Å²	135	32.6 Å²	32.6	63%	0.631	16%	0.163	S	C	*	.	H	α-helix	trans	-61	-45.5	-177.2	-60.7	70.6	-152.5	0	0	111	S218 V223 K224	S218-E220 PolarHBondContact OG-N 3.31Å; S218-E220 PolarHBondContact OG-OE2 3.46Å; E220-V223 PolarHBondContact O-N 2.7Å; E220-K224 WeakPolarHBondContact O-CB 3.4Å; E220-K224 PolarHBondContact O-N 3.25Å
221	D	98.4	Very high	98.6	Very high	90 Å²	90	35.7 Å²	35.7	48%	0.481	18%	0.179	S	C	.	.	H	α-helix	trans	-64.8	-42.6	176.8	-70.2	-24.8	0	0	0	111.9	Y216 S218 K219 K224 E225	Y216-D221 HydrophobicContact CD1-CB 3.65Å; Y216-D221 HydrophobicContact CE1-CB 4.05Å; Y216-D221 HydrophobicContact CG-CB 4.46Å; S218-D221 PolarHBondContact OG-N 3.44Å; K219-D221 PolarHBondContact O-N 3.29Å; D221-K224 PolarHBondContact O-N 2.79Å; D221-E225 PolarHBondContact O-N 3.05Å
222	A	98.7	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-46.9	175.2	0	0	0	0	0	111.2	Y216 S218 K219 K224 E225 V226 N310	Y216-A222 HydrophobicContact CD2-CB 3.88Å; Y216-A222 HydrophobicContact CG-CB 4.05Å; S218-A222 PolarHBondContact O-N 3.1Å; K219-A222 PolarHBondContact O-N 3.35Å; A222-K224 VanDerWaalsContact C-N 3.32Å; A222-K224 PolarHBondContact O-N 3.49Å; A222-E225 PolarHBondContact O-N 2.95Å; A222-V226 PolarHBondContact O-N 3.44Å; A222-N310 PolarHBondContact O-ND2 3.36Å; A222-N310 PolarHBondContact O-OD1 3.23Å
223	V	98.8	Very high	98.6	Very high	37 Å²	37	36.3 Å²	36.3	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-41.4	178.4	168.3	0	0	0	0	111	K219 E220 E225 V226 Y227 F261	K219-V223 HydrophobicContact CG-CG2 4.1Å; K219-V223 WeakPolarHBondContact O-CB 3.12Å; K219-V223 WeakPolarHBondContact O-CG2 3.41Å; K219-V223 PolarHBondContact O-N 2.84Å; E220-V223 PolarHBondContact O-N 2.7Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-E225 PolarHBondContact O-N 2.87Å; V223-V226 WeakPolarHBondContact O-CB 3.22Å; V223-V226 PolarHBondContact O-N 2.95Å; V223-Y227 HydrophobicContact CG1-CD2 4.28Å; V223-Y227 HydrophobicContact CG1-CE2 3.8Å; V223-Y227 VanDerWaalsContact O-CD2 3.23Å; V223-Y227 WeakPolarHBondContact O-CD2 3.37Å; V223-F261 HydrophobicContact CG1-CZ 4.17Å; V223-F261 HydrophobicContact CG2-CE1 4.09Å; V223-F261 HydrophobicContact CG2-CZ 4.21Å
224	K	98.8	Very high	98.6	Very high	117 Å²	117	36.3 Å²	36.3	51%	0.509	18%	0.183	S	C	.	.	H	α-helix	trans	-57.5	-46.7	177.3	-172.7	-166.4	175.6	-56	0	111.5	E220 D221 A222 V226 Y227 D228	E220-K224 WeakPolarHBondContact O-CB 3.4Å; E220-K224 PolarHBondContact O-N 3.25Å; D221-K224 PolarHBondContact O-N 2.79Å; A222-K224 VanDerWaalsContact C-N 3.32Å; A222-K224 PolarHBondContact O-N 3.49Å; K224-V226 VanDerWaalsContact C-N 3.28Å; K224-V226 PolarHBondContact O-N 2.96Å; K224-Y227 PolarHBondContact O-N 3.29Å; K224-D228 IonicContact NZ-OD1 3.77Å; K224-D228 PolarHBondContact NZ-OD1 3.49Å; K224-D228 IonicContact NZ-OD2 3.95Å; K224-D228 PolarHBondContact NZ-OD2 2.99Å; K224-D228 PolarHBondContact O-N 2.72Å
225	E	98.8	Very high	98.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.019	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-37.6	179.8	-178.7	-172.6	-99.8	0	0	112.3	T214 Y216 D221 A222 V223 Y227 D228 I229 N310	T214-E225 WeakPolarHBondContact CB-OE2 3.09Å; T214-E225 WeakPolarHBondContact CG2-OE1 3.46Å; T214-E225 VanDerWaalsContact CG2-OE2 3.25Å; T214-E225 WeakPolarHBondContact CG2-OE2 3.27Å; T214-E225 PolarHBondContact OG1-OE2 2.81Å; Y216-E225 HydrophobicContact CE2-CB 4.36Å; Y216-E225 PolarHBondContact OH-OE1 3.32Å; D221-E225 PolarHBondContact O-N 3.05Å; A222-E225 PolarHBondContact O-N 2.95Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-E225 PolarHBondContact O-N 2.87Å; E225-Y227 PolarHBondContact O-N 2.96Å; E225-D228 PolarHBondContact O-N 3.36Å; E225-D228 VanDerWaalsContact O-N 3.13Å; E225-I229 HydrophobicContact CG-CG1 3.95Å; E225-I229 WeakPolarHBondContact O-CG1 3.41Å; E225-I229 PolarHBondContact O-N 3.46Å; E225-N310 PolarHBondContact OE2-ND2 2.7Å
226	V	98.9	Very high	98.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.7	-41	178.8	175.3	0	0	0	0	111.3	A222 V223 K224 L230 F261 T263 S281 H283 N310	A222-V226 PolarHBondContact O-N 3.44Å; V223-V226 WeakPolarHBondContact O-CB 3.22Å; V223-V226 PolarHBondContact O-N 2.95Å; K224-V226 VanDerWaalsContact C-N 3.28Å; K224-V226 PolarHBondContact O-N 2.96Å; V226-L230 WeakPolarHBondContact O-CB 3.49Å; V226-L230 PolarHBondContact O-N 3.32Å; V226-L230 VanDerWaalsContact O-N 3.07Å; V226-F261 HydrophobicContact CB-CE2 4.49Å; V226-F261 HydrophobicContact CG1-CE2 3.84Å; V226-F261 HydrophobicContact CG1-CZ 4.42Å; V226-T263 HydrophobicContact CG1-CG2 3.81Å; V226-S281 WeakPolarHBondContact CG1-OG 3.34Å; V226-S281 PolarHBondContact O-OG 3.27Å; V226-H283 HydrophobicContact CG2-CB 4.01Å; V226-N310 HydrophobicContact CG2-CB 4.24Å; V226-N310 VanDerWaalsContact CG2-OD1 3.32Å; V226-N310 WeakPolarHBondContact CG2-OD1 3.28Å
227	Y	98.8	Very high	98.7	Very high	82 Å²	82	39.1 Å²	39.1	32%	0.322	19%	0.193	S	C	.	.	H	α-helix	trans	-78.4	-35.2	177.1	-64.9	-75.8	0	0	0	113.2	V223 K224 E225 I229 L230 N231 T263 F502	V223-Y227 HydrophobicContact CG1-CD2 4.28Å; V223-Y227 HydrophobicContact CG1-CE2 3.8Å; V223-Y227 VanDerWaalsContact O-CD2 3.23Å; V223-Y227 WeakPolarHBondContact O-CD2 3.37Å; K224-Y227 PolarHBondContact O-N 3.29Å; E225-Y227 PolarHBondContact O-N 2.96Å; Y227-I229 VanDerWaalsContact C-N 3.34Å; Y227-L230 PolarHBondContact O-N 3.04Å; Y227-N231 PolarHBondContact O-N 3.05Å; Y227-N231 PolarHBondContact O-ND2 3.21Å; Y227-N231 VanDerWaalsContact O-ND2 3.09Å; Y227-T263 HydrophobicContact CD1-CG2 4.46Å; Y227-T263 HydrophobicContact CE1-CG2 3.96Å; Y227-F502 HydrophobicContact CD1-CE2 4.33Å; Y227-F502 HydrophobicContact CD1-CZ 4.33Å; Y227-F502 HydrophobicContact CE1-CE1 4.15Å; Y227-F502 HydrophobicContact CE1-CE2 4.02Å; Y227-F502 AromaticContact CE1-CZ 3.59Å; Y227-F502 HydrophobicContact CE1-CZ 3.59Å
228	D	98.8	Very high	98.7	Very high	50 Å²	50	40.1 Å²	40.1	27%	0.267	19%	0.191	S	C	.	.	H	α-helix	trans	-58.1	-49.1	173.2	-66.4	-24.5	0	0	0	110	L111 K224 E225 N231 L232	L111-D228 HydrophobicContact CD1-CB 4.35Å; K224-D228 IonicContact NZ-OD1 3.77Å; K224-D228 PolarHBondContact NZ-OD1 3.49Å; K224-D228 IonicContact NZ-OD2 3.95Å; K224-D228 PolarHBondContact NZ-OD2 2.99Å; K224-D228 PolarHBondContact O-N 2.72Å; E225-D228 PolarHBondContact O-N 3.36Å; E225-D228 VanDerWaalsContact O-N 3.13Å; D228-N231 PolarHBondContact O-N 3.14Å; D228-L232 PolarHBondContact O-N 2.96Å; D228-L232 VanDerWaalsContact O-N 3.08Å
229	I	98.9	Very high	98.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-40.8	178.4	-63	-63.3	0	0	0	111.9	I108 L111 E225 Y227 N231 L232 Y233 W312	I108-I229 HydrophobicContact CG2-CD1 4.16Å; L111-I229 HydrophobicContact CD1-CD1 4.11Å; E225-I229 HydrophobicContact CG-CG1 3.95Å; E225-I229 WeakPolarHBondContact O-CG1 3.41Å; E225-I229 PolarHBondContact O-N 3.46Å; Y227-I229 VanDerWaalsContact C-N 3.34Å; I229-N231 VanDerWaalsContact C-N 3.25Å; I229-N231 PolarHBondContact O-N 3.02Å; I229-L232 HydrophobicContact CD1-CD1 4.31Å; I229-L232 PolarHBondContact O-N 3.42Å; I229-L232 VanDerWaalsContact O-N 3.13Å; I229-Y233 HydrophobicContact CG2-CD2 3.94Å; I229-Y233 HydrophobicContact CG2-CE1 4.33Å; I229-Y233 HydrophobicContact CG2-CE2 3.49Å; I229-Y233 VanDerWaalsContact CG2-CE2 3.49Å; I229-Y233 PolarHBondContact O-N 3.47Å; I229-W312 HydrophobicContact CB-CD2 4.49Å; I229-W312 HydrophobicContact CB-CG 4.34Å; I229-W312 HydrophobicContact CD1-CD2 4.17Å; I229-W312 HydrophobicContact CD1-CE3 4.39Å; I229-W312 HydrophobicContact CD1-CH2 4.04Å; I229-W312 HydrophobicContact CD1-CZ2 3.83Å; I229-W312 HydrophobicContact CD1-CZ3 4.3Å; I229-W312 HydrophobicContact CG1-CD2 4.04Å; I229-W312 HydrophobicContact CG1-CG 4.17Å; I229-W312 HydrophobicContact CG1-CZ2 4.3Å; I229-W312 HydrophobicContact CG2-CB 3.75Å; I229-W312 HydrophobicContact CG2-CD2 3.79Å; I229-W312 HydrophobicContact CG2-CE3 3.99Å; I229-W312 HydrophobicContact CG2-CG 3.71Å
230	L	98.9	Very high	98.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-57.3	-42	175.5	-176.9	72	0	0	0	111.6	V226 Y227 Y233 S234 K247 T264 I265 F502	V226-L230 WeakPolarHBondContact O-CB 3.49Å; V226-L230 PolarHBondContact O-N 3.32Å; V226-L230 VanDerWaalsContact O-N 3.07Å; Y227-L230 PolarHBondContact O-N 3.04Å; L230-Y233 PolarHBondContact O-N 2.85Å; L230-S234 PolarHBondContact O-N 3.27Å; L230-K247 HydrophobicContact CD2-CB 4.16Å; L230-K247 HydrophobicContact CD2-CD 4.34Å; L230-K247 HydrophobicContact CD2-CG 4.31Å; L230-K247 HydrophobicContact CG-CD 4.45Å; L230-K247 HydrophobicContact CG-CG 4.48Å; L230-T264 VanDerWaalsContact CD1-C 3.48Å; L230-I265 HydrophobicContact CD1-CG2 3.61Å; L230-I265 HydrophobicContact CG-CG2 4.2Å; L230-F502 HydrophobicContact CD2-CD2 4.41Å; L230-F502 HydrophobicContact CD2-CE2 3.51Å; L230-F502 HydrophobicContact CD2-CZ 4.34Å
231	N	98.8	Very high	98.8	Very high	65 Å²	65	32.1 Å²	32.1	35%	0.348	15%	0.153	S	C	.	.	H	α-helix	trans	-66.6	-39	177	-72.3	-39.3	0	0	0	111.8	Y227 D228 I229 Y233 S234 R235 K247	Y227-N231 PolarHBondContact O-N 3.05Å; Y227-N231 PolarHBondContact O-ND2 3.21Å; Y227-N231 VanDerWaalsContact O-ND2 3.09Å; D228-N231 PolarHBondContact O-N 3.14Å; I229-N231 VanDerWaalsContact C-N 3.25Å; I229-N231 PolarHBondContact O-N 3.02Å; N231-Y233 VanDerWaalsContact C-N 3.34Å; N231-Y233 PolarHBondContact O-N 3.26Å; N231-S234 WeakPolarHBondContact O-CB 3.27Å; N231-S234 PolarHBondContact O-N 3.19Å; N231-R235 WeakPolarHBondContact O-CG 3.21Å; N231-R235 PolarHBondContact O-N 3.41Å; N231-K247 PolarHBondContact OD1-NZ 3.01Å
232	L	98.9	Very high	98.8	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-41.9	173.3	-66.4	-174.2	0	0	0	111.9	F104 E107 I108 L111 D228 I229 R235 V236	F104-L232 HydrophobicContact CD2-CB 4.26Å; F104-L232 HydrophobicContact CE2-CB 3.73Å; F104-L232 HydrophobicContact CE2-CD1 4.24Å; E107-L232 HydrophobicContact CB-CD1 3.87Å; E107-L232 HydrophobicContact CB-CD2 3.84Å; E107-L232 HydrophobicContact CB-CG 4.46Å; E107-L232 HydrophobicContact CG-CD2 4.16Å; I108-L232 HydrophobicContact CG2-CD1 3.88Å; L111-L232 HydrophobicContact CD1-CD1 3.85Å; D228-L232 PolarHBondContact O-N 2.96Å; D228-L232 VanDerWaalsContact O-N 3.08Å; I229-L232 HydrophobicContact CD1-CD1 4.31Å; I229-L232 PolarHBondContact O-N 3.42Å; I229-L232 VanDerWaalsContact O-N 3.13Å; L232-R235 PolarHBondContact O-N 3.13Å; L232-V236 PolarHBondContact O-N 2.8Å
233	Y	98.9	Very high	98.8	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-41.5	173.9	-68	-30.4	0	0	0	112.9	F104 Q210 I229 L230 N231 R235 V236 Y237 A279 T280 W312 G313 L314	F104-Y233 HydrophobicContact CD2-CD1 4.27Å; F104-Y233 HydrophobicContact CD2-CE1 4.26Å; F104-Y233 HydrophobicContact CE1-CE1 4.03Å; F104-Y233 AromaticContact CE2-CD1 3.55Å; F104-Y233 HydrophobicContact CE2-CD1 3.55Å; F104-Y233 AromaticContact CE2-CE1 3.38Å; F104-Y233 HydrophobicContact CE2-CE1 3.38Å; F104-Y233 AromaticContact CZ-CD1 3.94Å; F104-Y233 HydrophobicContact CZ-CD1 3.94Å; F104-Y233 AromaticContact CZ-CE1 3.25Å; F104-Y233 HydrophobicContact CZ-CE1 3.25Å; F104-Y233 AromaticContact CZ-CZ 3.98Å; Q210-Y233 PolarHBondContact OE1-OH 3.03Å; I229-Y233 HydrophobicContact CG2-CD2 3.94Å; I229-Y233 HydrophobicContact CG2-CE1 4.33Å; I229-Y233 HydrophobicContact CG2-CE2 3.49Å; I229-Y233 VanDerWaalsContact CG2-CE2 3.49Å; I229-Y233 PolarHBondContact O-N 3.47Å; L230-Y233 PolarHBondContact O-N 2.85Å; N231-Y233 VanDerWaalsContact C-N 3.34Å; N231-Y233 PolarHBondContact O-N 3.26Å; Y233-R235 VanDerWaalsContact C-N 3.27Å; Y233-R235 PolarHBondContact O-N 2.7Å; Y233-V236 WeakPolarHBondContact O-CB 3.47Å; Y233-V236 PolarHBondContact O-N 3.36Å; Y233-Y237 WeakPolarHBondContact O-CD2 3.45Å; Y233-Y237 PolarHBondContact O-N 3.46Å; Y233-A279 HydrophobicContact CD1-CB 4.27Å; Y233-A279 HydrophobicContact CD2-CB 3.5Å; Y233-A279 VanDerWaalsContact CD2-CB 3.5Å; Y233-A279 HydrophobicContact CE2-CB 4Å; Y233-A279 HydrophobicContact CG-CB 3.63Å; Y233-T280 WeakPolarHBondContact CE2-O 3.39Å; Y233-W312 HydrophobicContact CE2-CB 4.18Å; Y233-W312 VanDerWaalsContact OH-C 3.27Å; Y233-W312 VanDerWaalsContact OH-CE3 3.31Å; Y233-G313 VanDerWaalsContact OH-C 3.24Å; Y233-G313 WeakPolarHBondContact OH-CA 3.49Å; Y233-G313 PolarHBondContact OH-N 2.84Å; Y233-L314 HydrophobicContact CD1-CB 4.35Å; Y233-L314 HydrophobicContact CD1-CD2 3.82Å; Y233-L314 HydrophobicContact CE1-CB 4.1Å; Y233-L314 HydrophobicContact CE1-CD2 3.21Å; Y233-L314 HydrophobicContact CE1-CG 4.2Å
234	S	98.8	Very high	98.8	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-54	-48.9	173	-163	0	0	0	0	110.5	L230 N231 V236 Y237 E238 V245	L230-S234 PolarHBondContact O-N 3.27Å; N231-S234 WeakPolarHBondContact O-CB 3.27Å; N231-S234 PolarHBondContact O-N 3.19Å; S234-V236 PolarHBondContact O-N 3.23Å; S234-Y237 PolarHBondContact O-N 3.44Å; S234-Y237 VanDerWaalsContact O-N 3.08Å; S234-E238 WeakPolarHBondContact O-CG 3.11Å; S234-E238 PolarHBondContact O-N 2.69Å; S234-E238 PolarHBondContact OG-OE2 2.92Å; S234-V245 WeakPolarHBondContact OG-CG2 3.25Å
235	R	98.8	Very high	98.8	Very high	70 Å²	70	21.3 Å²	21.3	26%	0.264	10%	0.1	S	C	.	.	H	α-helix	trans	-63.3	-34.9	179.1	-70	173.5	63.1	-148.3	-8.1	113.2	W103 E107 N231 L232 Y233 Y237 E239	W103-R235 HydrophobicContact CH2-CB 3.45Å; W103-R235 VanDerWaalsContact CH2-CB 3.45Å; W103-R235 HydrophobicContact CZ2-CB 3.86Å; W103-R235 HydrophobicContact CZ3-CB 4.49Å; E107-R235 VanDerWaalsContact CD-NH1 3.33Å; E107-R235 IonicContact OE1-CZ 2.72Å; E107-R235 IonicContact OE1-NH1 3.48Å; E107-R235 IonicContact OE1-NH2 2.72Å; E107-R235 PolarHBondContact OE1-NH2 2.82Å; E107-R235 IonicContact OE2-CZ 3.38Å; E107-R235 IonicContact OE2-NH1 3.03Å; E107-R235 PolarHBondContact OE2-NH1 3.42Å; E107-R235 IonicContact OE2-NH2 3.28Å; N231-R235 WeakPolarHBondContact O-CG 3.21Å; N231-R235 PolarHBondContact O-N 3.41Å; L232-R235 PolarHBondContact O-N 3.13Å; Y233-R235 VanDerWaalsContact C-N 3.27Å; Y233-R235 PolarHBondContact O-N 2.7Å; R235-Y237 VanDerWaalsContact C-N 3.3Å; R235-Y237 PolarHBondContact O-N 3.11Å; R235-E239 HydrophobicContact CB-CG 4.16Å; R235-E239 WeakPolarHBondContact CD-OE1 3.12Å; R235-E239 HydrophobicContact CG-CG 4.42Å; R235-E239 VanDerWaalsContact CG-OE1 3.23Å; R235-E239 WeakPolarHBondContact CG-OE1 3.49Å; R235-E239 IonicContact CZ-OE1 3.09Å; R235-E239 IonicContact CZ-OE2 2.73Å; R235-E239 IonicContact NE-OE1 2.84Å; R235-E239 PolarHBondContact NE-OE1 3.08Å; R235-E239 IonicContact NE-OE2 3.89Å; R235-E239 IonicContact NH2-OE1 3.5Å; R235-E239 IonicContact NH2-OE2 3.62Å; R235-E239 WeakPolarHBondContact O-CA 3.27Å; R235-E239 WeakPolarHBondContact O-CB 3.36Å; R235-E239 PolarHBondContact O-N 2.83Å
236	V	98.9	Very high	98.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-54.8	-49.7	170.6	171.8	0	0	0	0	110.2	I100 W103 F104 L232 Y233 S234 L240 L241 L314	I100-V236 HydrophobicContact CG1-CG1 4.4Å; I100-V236 HydrophobicContact CG2-CG1 4.02Å; W103-V236 HydrophobicContact CE3-CG2 3.66Å; W103-V236 HydrophobicContact CH2-CG2 4.41Å; W103-V236 HydrophobicContact CZ3-CB 4.46Å; W103-V236 HydrophobicContact CZ3-CG2 3.41Å; W103-V236 VanDerWaalsContact CZ3-CG2 3.41Å; F104-V236 HydrophobicContact CD2-CG2 4.05Å; L232-V236 PolarHBondContact O-N 2.8Å; Y233-V236 WeakPolarHBondContact O-CB 3.47Å; Y233-V236 PolarHBondContact O-N 3.36Å; S234-V236 PolarHBondContact O-N 3.23Å; V236-L240 HydrophobicContact CG1-CD1 4.46Å; V236-L240 VanDerWaalsContact O-CB 3.27Å; V236-L240 WeakPolarHBondContact O-CB 3.27Å; V236-L240 PolarHBondContact O-N 2.89Å; V236-L241 HydrophobicContact CG1-CD1 4.34Å; V236-L241 WeakPolarHBondContact O-CG 3.5Å; V236-L241 PolarHBondContact O-N 3.29Å; V236-L314 HydrophobicContact CG1-CD1 4.37Å
237	Y	98.9	Very high	98.8	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	12%	0.119	C	C	.	.	I	π-helix	trans	-71	-48.9	-177.8	-80	-96.4	0	0	0	112	Y233 S234 R235 L241 A242 V243 V245 I265 A278 T318 V321	Y233-Y237 WeakPolarHBondContact O-CD2 3.45Å; Y233-Y237 PolarHBondContact O-N 3.46Å; S234-Y237 PolarHBondContact O-N 3.44Å; S234-Y237 VanDerWaalsContact O-N 3.08Å; R235-Y237 VanDerWaalsContact C-N 3.3Å; R235-Y237 PolarHBondContact O-N 3.11Å; Y237-L241 HydrophobicContact CD1-CD1 4.15Å; Y237-L241 HydrophobicContact CE1-CD1 4.36Å; Y237-L241 HydrophobicContact CG-CD1 4.43Å; Y237-L241 CarbonylContact O-C 3.59Å; Y237-L241 VanDerWaalsContact O-C 3.29Å; Y237-L241 WeakPolarHBondContact O-CA 3.5Å; Y237-L241 WeakPolarHBondContact O-CB 3.32Å; Y237-L241 PolarHBondContact O-N 2.9Å; Y237-A242 PolarHBondContact O-N 3.47Å; Y237-V243 CarbonylContact C-O 3.49Å; Y237-V243 VanDerWaalsContact C-O 3.24Å; Y237-V243 HydrophobicContact CD1-CB 4.08Å; Y237-V243 HydrophobicContact CD1-CG1 3.89Å; Y237-V243 PolarHBondContact O-N 3.27Å; Y237-V245 HydrophobicContact CD1-CG1 4.27Å; Y237-V245 HydrophobicContact CG-CG1 4.03Å; Y237-I265 HydrophobicContact CD2-CD1 3.45Å; Y237-I265 VanDerWaalsContact CD2-CD1 3.45Å; Y237-I265 HydrophobicContact CE2-CD1 3.7Å; Y237-I265 HydrophobicContact CG-CD1 4.29Å; Y237-A278 HydrophobicContact CD1-CB 4.34Å; Y237-A278 HydrophobicContact CD2-CB 4.26Å; Y237-A278 HydrophobicContact CE1-CB 3.69Å; Y237-A278 HydrophobicContact CE2-CB 3.59Å; Y237-A278 WeakPolarHBondContact OH-CA 3.19Å; Y237-A278 VanDerWaalsContact OH-CB 3.3Å; Y237-A278 WeakPolarHBondContact OH-CB 3.25Å; Y237-A278 PolarHBondContact OH-O 3.03Å; Y237-T318 HydrophobicContact CE1-CG2 4.24Å; Y237-T318 HydrophobicContact CE2-CG2 3.71Å; Y237-T318 VanDerWaalsContact CZ-CG2 3.49Å; Y237-T318 VanDerWaalsContact OH-CG2 3.3Å; Y237-T318 WeakPolarHBondContact OH-CG2 3.32Å; Y237-V321 HydrophobicContact CD1-CG1 4.22Å; Y237-V321 HydrophobicContact CE1-CB 3.93Å; Y237-V321 HydrophobicContact CE1-CG1 3.82Å; Y237-V321 HydrophobicContact CE1-CG2 4.13Å
238	E	98.9	Very high	98.8	Very high	61 Å²	61	21.6 Å²	21.6	29%	0.285	10%	0.103	S	C	.	.	I	π-helix	trans	-74.3	-48.8	-173.5	-61.7	178.5	131	0	0	111.6	S234 A242 V243 V245 F439	S234-E238 WeakPolarHBondContact O-CG 3.11Å; S234-E238 PolarHBondContact O-N 2.69Å; S234-E238 PolarHBondContact OG-OE2 2.92Å; E238-A242 WeakPolarHBondContact O-CA 3.44Å; E238-A242 PolarHBondContact O-N 2.95Å; E238-V243 WeakPolarHBondContact CA-O 3.26Å; E238-V243 WeakPolarHBondContact CG-O 3.43Å; E238-V243 PolarHBondContact N-O 2.84Å; E238-V245 HydrophobicContact CG-CG2 4.21Å; E238-F439 HydrophobicContact CB-CD2 4.48Å; E238-F439 HydrophobicContact CB-CE2 3.84Å; E238-F439 HydrophobicContact CG-CE2 3.92Å
239	E	98.7	Very high	98.8	Very high	65 Å²	65	23.1 Å²	23.1	30%	0.304	11%	0.105	S	C	.	.	I	π-helix	trans	-81	-47.2	-175.2	-56.8	178.5	-171.2	0	0	111.9	R235 R337 Q435	R235-E239 HydrophobicContact CB-CG 4.16Å; R235-E239 WeakPolarHBondContact CD-OE1 3.12Å; R235-E239 HydrophobicContact CG-CG 4.42Å; R235-E239 VanDerWaalsContact CG-OE1 3.23Å; R235-E239 WeakPolarHBondContact CG-OE1 3.49Å; R235-E239 IonicContact CZ-OE1 3.09Å; R235-E239 IonicContact CZ-OE2 2.73Å; R235-E239 IonicContact NE-OE1 2.84Å; R235-E239 PolarHBondContact NE-OE1 3.08Å; R235-E239 IonicContact NE-OE2 3.89Å; R235-E239 IonicContact NH2-OE1 3.5Å; R235-E239 IonicContact NH2-OE2 3.62Å; R235-E239 WeakPolarHBondContact O-CA 3.27Å; R235-E239 WeakPolarHBondContact O-CB 3.36Å; R235-E239 PolarHBondContact O-N 2.83Å; E239-R337 WeakPolarHBondContact O-CD 3.3Å; E239-R337 PolarHBondContact O-NH1 3.23Å; E239-Q435 PolarHBondContact O-NE2 2.76Å
240	L	98.7	Very high	98.8	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.079	11%	0.107	C	C	.	.	I	π-helix	trans	-85.5	-44	-176.4	-56	178.8	0	0	0	112.2	W103 V236 P335 R337 V338 Q435	W103-L240 HydrophobicContact CB-CD1 3.67Å; W103-L240 HydrophobicContact CB-CD2 4.4Å; W103-L240 HydrophobicContact CD2-CD1 3.79Å; W103-L240 HydrophobicContact CD2-CD2 4.42Å; W103-L240 HydrophobicContact CD2-CG 4.23Å; W103-L240 HydrophobicContact CE3-CD1 4.06Å; W103-L240 HydrophobicContact CG-CD1 3.62Å; W103-L240 HydrophobicContact CG-CD2 3.93Å; W103-L240 HydrophobicContact CG-CG 4.14Å; V236-L240 HydrophobicContact CG1-CD1 4.46Å; V236-L240 VanDerWaalsContact O-CB 3.27Å; V236-L240 WeakPolarHBondContact O-CB 3.27Å; V236-L240 PolarHBondContact O-N 2.89Å; L240-P335 WeakPolarHBondContact O-CB 3.33Å; L240-R337 HydrophobicContact CD2-CB 4.49Å; L240-V338 HydrophobicContact CB-CG1 3.97Å; L240-Q435 PolarHBondContact O-NE2 2.92Å
241	L	98.9	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-5	-170.1	-51.7	178.9	0	0	0	113.7	I100 V236 Y237 V243 T318 F322 H326 P335 V338	I100-L241 HydrophobicContact CD1-CD2 4.31Å; V236-L241 HydrophobicContact CG1-CD1 4.34Å; V236-L241 WeakPolarHBondContact O-CG 3.5Å; V236-L241 PolarHBondContact O-N 3.29Å; Y237-L241 HydrophobicContact CD1-CD1 4.15Å; Y237-L241 HydrophobicContact CE1-CD1 4.36Å; Y237-L241 HydrophobicContact CG-CD1 4.43Å; Y237-L241 CarbonylContact O-C 3.59Å; Y237-L241 VanDerWaalsContact O-C 3.29Å; Y237-L241 WeakPolarHBondContact O-CA 3.5Å; Y237-L241 WeakPolarHBondContact O-CB 3.32Å; Y237-L241 PolarHBondContact O-N 2.9Å; L241-V243 HydrophobicContact CB-CG2 4.15Å; L241-V243 PolarHBondContact O-N 3.18Å; L241-T318 HydrophobicContact CD1-CG2 4.16Å; L241-F322 HydrophobicContact CB-CB 4.13Å; L241-F322 HydrophobicContact CD2-CD1 4.01Å; L241-H326 PolarHBondContact O-NE2 3.19Å; L241-P335 WeakPolarHBondContact O-CG 3.1Å; L241-V338 HydrophobicContact CD2-CB 4.5Å; L241-V338 HydrophobicContact CD2-CG1 3.84Å; L241-V338 HydrophobicContact CD2-CG2 4.03Å
242	A	98.8	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.108	C	C	.	.			trans	53.9	38.8	-175.2	0	0	0	0	0	112.4	Y237 E238 H326 P335 L438 F439	Y237-A242 PolarHBondContact O-N 3.47Å; E238-A242 WeakPolarHBondContact O-CA 3.44Å; E238-A242 PolarHBondContact O-N 2.95Å; A242-H326 PolarHBondContact O-CE1 2.99Å; A242-H326 PolarHBondContact O-NE2 2.86Å; A242-P335 HydrophobicContact CB-CB 4.45Å; A242-L438 HydrophobicContact CB-CB 3.74Å; A242-F439 HydrophobicContact CB-CB 4.04Å
243	V	98.9	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.118	C	C	.	.			trans	-115.7	120.6	-179.1	170.7	0	0	0	0	109.3	Y237 E238 L241 V245 V321 F322 I325	Y237-V243 CarbonylContact C-O 3.49Å; Y237-V243 VanDerWaalsContact C-O 3.24Å; Y237-V243 HydrophobicContact CD1-CB 4.08Å; Y237-V243 HydrophobicContact CD1-CG1 3.89Å; Y237-V243 PolarHBondContact O-N 3.27Å; E238-V243 WeakPolarHBondContact CA-O 3.26Å; E238-V243 WeakPolarHBondContact CG-O 3.43Å; E238-V243 PolarHBondContact N-O 2.84Å; L241-V243 HydrophobicContact CB-CG2 4.15Å; L241-V243 PolarHBondContact O-N 3.18Å; V243-V245 HydrophobicContact CG1-CG1 4.39Å; V243-V321 HydrophobicContact CG1-CG1 3.92Å; V243-V321 HydrophobicContact CG2-CG1 4.46Å; V243-F322 HydrophobicContact CG2-CB 3.81Å; V243-I325 HydrophobicContact CB-CD1 4.31Å; V243-I325 HydrophobicContact CG1-CD1 3.5Å; V243-I325 HydrophobicContact CG2-CD1 3.89Å
244	P	98.7	Very high	98.1	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.026	13%	0.133	C	C	.	.			trans	-71.9	148.1	173.4	36.2	-41	0	0	0	110.9	F439 A442 K443 M446	P244-F439 HydrophobicContact CB-CE2 4.2Å; P244-F439 HydrophobicContact CB-CZ 4.47Å; P244-A442 VanDerWaalsContact CD-CB 3.49Å; P244-A442 HydrophobicContact CG-CB 4.09Å; P244-K443 HydrophobicContact CB-CB 4.18Å; P244-K443 HydrophobicContact CB-CD 3.57Å; P244-K443 HydrophobicContact CB-CG 4.49Å; P244-K443 HydrophobicContact CG-CB 4.36Å; P244-K443 HydrophobicContact CG-CD 4.38Å; P244-M446 HydrophobicContact CB-CE 3.8Å; P244-M446 HydrophobicContact CB-SD 4.14Å; P244-M446 HydrophobicContact CG-CB 4.18Å; P244-M446 HydrophobicContact CG-CE 4.2Å; P244-M446 HydrophobicContact CG-SD 4Å
245	V	98.8	Very high	97.9	Very high	13 Å²	13	32 Å²	32	8%	0.079	14%	0.143	C	C	.	.			trans	-139.4	157	177.9	-65.4	0	0	0	0	111.5	S234 Y237 E238 V243 I265 E266	S234-V245 WeakPolarHBondContact OG-CG2 3.25Å; Y237-V245 HydrophobicContact CD1-CG1 4.27Å; Y237-V245 HydrophobicContact CG-CG1 4.03Å; E238-V245 HydrophobicContact CG-CG2 4.21Å; V243-V245 HydrophobicContact CG1-CG1 4.39Å; V245-I265 HydrophobicContact CB-CB 4.07Å; V245-I265 HydrophobicContact CG1-CB 4.48Å; V245-I265 HydrophobicContact CG1-CD1 4.44Å; V245-I265 HydrophobicContact CG2-CB 4.06Å; V245-I265 HydrophobicContact CG2-CG2 4.1Å; V245-E266 CarbonylContact C-O 3.56Å; V245-E266 WeakPolarHBondContact CA-O 3.42Å
246	I	98.7	Very high	97.7	Very high	24 Å²	24	31.4 Å²	31.4	12%	0.123	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.4	174.4	-60.5	172	0	0	0	108.4	I265 E266 M446 I468 P501 L528	I246-I265 WeakPolarHBondContact O-CA 3.44Å; I246-E266 PolarHBondContact N-O 2.75Å; I246-E266 PolarHBondContact O-N 3.27Å; I246-M446 HydrophobicContact CD1-CE 4.44Å; I246-M446 HydrophobicContact CD1-SD 4.39Å; I246-M446 HydrophobicContact CG1-CE 3.98Å; I246-M446 HydrophobicContact CG1-SD 4.2Å; I246-I468 HydrophobicContact CD1-CD1 3.96Å; I246-P501 HydrophobicContact CG2-CB 3.96Å; I246-P501 HydrophobicContact CG2-CG 4.23Å; I246-L528 HydrophobicContact CD1-CD1 4.47Å; I246-L528 HydrophobicContact CD1-CD2 3.82Å; I246-L528 HydrophobicContact CG2-CD2 4.46Å
247	K	98.8	Very high	97.3	Very high	68 Å²	68	33 Å²	33	30%	0.296	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	133.5	174.7	-64.9	-177	-66.3	-167.1	0	110.3	L230 N231 I265 F502	L230-K247 HydrophobicContact CD2-CB 4.16Å; L230-K247 HydrophobicContact CD2-CD 4.34Å; L230-K247 HydrophobicContact CD2-CG 4.31Å; L230-K247 HydrophobicContact CG-CD 4.45Å; L230-K247 HydrophobicContact CG-CG 4.48Å; N231-K247 PolarHBondContact OD1-NZ 3.01Å; K247-I265 HydrophobicContact CG-CG2 3.83Å; K247-F502 HydrophobicContact CB-CD2 3.81Å; K247-F502 HydrophobicContact CB-CE2 4.22Å; K247-F502 PolarHBondContact O-N 3.33Å
248	G	98.7	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	-178.8	176.8	0	0	0	0	0	114.1	T263 T264 I500 F502	G248-T263 CarbonylContact O-C 3.42Å; G248-T263 VanDerWaalsContact O-CA 3.3Å; G248-T263 WeakPolarHBondContact O-CA 3.27Å; G248-T264 PolarHBondContact N-O 3.43Å; G248-T264 PolarHBondContact O-N 3.42Å; G248-I500 CarbonylContact C-O 3.56Å; G248-I500 WeakPolarHBondContact CA-O 3.27Å; G248-F502 VanDerWaalsContact C-CZ 3.48Å
249	R	98.7	Very high	96.7	Very high	82 Å²	82	31.2 Å²	31.2	31%	0.309	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.7	174.6	-171.6	178.1	161.7	162.1	-5.3	109.9	E252 T262 C499 I500 F502	R249-E252 IonicContact NH2-OE1 2.92Å; R249-E252 PolarHBondContact NH2-OE1 2.97Å; R249-T262 CarbonylContact C-O 3.48Å; R249-T262 WeakPolarHBondContact CA-O 3.47Å; R249-T262 WeakPolarHBondContact CG-O 3.29Å; R249-C499 CarbonylContact O-C 3.54Å; R249-C499 WeakPolarHBondContact O-CA 3.49Å; R249-I500 PolarHBondContact N-O 3.5Å; R249-I500 PolarHBondContact O-N 3.31Å; R249-F502 HydrophobicContact CB-CE1 3.99Å; R249-F502 HydrophobicContact CB-CZ 4.36Å
250	K	98.5	Very high	96.6	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.039	16%	0.155	C	C	.	.			trans	-65.7	149.3	170.3	-67.7	-66.6	-174.4	-177.1	0	110.4	E254 K255 T262 T264 E266 Q277 L498	K250-E254 HydrophobicContact CB-CB 4.38Å; K250-E254 HydrophobicContact CD-CB 4.08Å; K250-E254 WeakPolarHBondContact CG-O 3.39Å; K250-K255 HydrophobicContact CB-CB 4.1Å; K250-T262 HydrophobicContact CB-CG2 4.33Å; K250-T262 HydrophobicContact CG-CG2 3.65Å; K250-T262 PolarHBondContact N-O 3.35Å; K250-T264 HydrophobicContact CD-CG2 3.99Å; K250-T264 HydrophobicContact CG-CG2 4.24Å; K250-E266 IonicContact NZ-OE1 2.94Å; K250-E266 PolarHBondContact NZ-OE1 2.92Å; K250-Q277 VanDerWaalsContact NZ-OE1 3.09Å; K250-L498 WeakPolarHBondContact CD-O 3.18Å; K250-L498 PolarHBondContact NZ-O 3.37Å
251	T	97.7	Very high	96.6	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	16%	0.155	C	C	.	.			trans	-62.4	165.6	167.9	56.9	0	0	0	0	109.6	K253 E254 K255 F473 E480 I500 T527	T251-K253 PolarHBondContact O-N 3.45Å; T251-E254 PolarHBondContact O-N 2.84Å; T251-E254 PolarHBondContact OG1-N 3.36Å; T251-K255 PolarHBondContact O-N 3.41Å; T251-F473 HydrophobicContact CG2-CE1 4.22Å; T251-E480 VanDerWaalsContact CB-OE2 3.26Å; T251-E480 WeakPolarHBondContact CB-OE2 3.39Å; T251-E480 PolarHBondContact OG1-OE1 3.17Å; T251-E480 PolarHBondContact OG1-OE2 2.79Å; T251-E480 VanDerWaalsContact OG1-OE2 3.12Å; T251-I500 HydrophobicContact CG2-CG1 4.41Å; T251-T527 HydrophobicContact CG2-CG2 4.31Å
252	E	95.6	Very high	96.6	Very high	78 Å²	78	31.4 Å²	31.4	36%	0.364	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31	178.6	-69	-59	129.9	0	0	112.4	R249 K255	R249-E252 IonicContact NH2-OE1 2.92Å; R249-E252 PolarHBondContact NH2-OE1 2.97Å; E252-K255 WeakPolarHBondContact O-CG 3.27Å; E252-K255 VanDerWaalsContact OE2-CE 3.31Å; E252-K255 WeakPolarHBondContact OE2-CE 3.4Å; E252-K255 IonicContact OE2-NZ 3.64Å; E252-K255 PolarHBondContact OE2-NZ 3.26Å
253	K	93.4	Very high	96.6	Very high	61 Å²	61	31.4 Å²	31.4	27%	0.265	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-40.1	175.3	-175.1	178.1	-178.6	168.6	0	114.6	T251 E477 E480 D481	T251-K253 PolarHBondContact O-N 3.45Å; K253-E477 HydrophobicContact CB-CG 4.05Å; K253-E480 HydrophobicContact CD-CB 4.28Å; K253-E480 HydrophobicContact CD-CG 4.25Å; K253-D481 IonicContact NZ-OD1 3.55Å; K253-D481 PolarHBondContact NZ-OD1 2.95Å; K253-D481 IonicContact NZ-OD2 2.76Å; K253-D481 PolarHBondContact NZ-OD2 3.44Å
254	E	94.9	Very high	96.6	Very high	66 Å²	66	31.4 Å²	31.4	31%	0.308	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	2.8	-173.3	-64.2	-75.7	149.4	0	0	112.7	K250 T251 E480 S497	K250-E254 HydrophobicContact CB-CB 4.38Å; K250-E254 HydrophobicContact CD-CB 4.08Å; K250-E254 WeakPolarHBondContact CG-O 3.39Å; T251-E254 PolarHBondContact O-N 2.84Å; T251-E254 PolarHBondContact OG1-N 3.36Å; E254-E480 WeakPolarHBondContact CG-OE1 3.38Å; E254-S497 WeakPolarHBondContact CG-OG 3.39Å
255	K	95	Very high	96.6	Very high	53 Å²	53	31.2 Å²	31.2	23%	0.23	16%	0.155	C	C	.	.	S	Bend	trans	-71.4	160.3	173.8	78	-173.4	176.6	173.9	0	110.6	K250 T251 E252 A257 A259 D260	K250-K255 HydrophobicContact CB-CB 4.1Å; T251-K255 PolarHBondContact O-N 3.41Å; E252-K255 WeakPolarHBondContact O-CG 3.27Å; E252-K255 VanDerWaalsContact OE2-CE 3.31Å; E252-K255 WeakPolarHBondContact OE2-CE 3.4Å; E252-K255 IonicContact OE2-NZ 3.64Å; E252-K255 PolarHBondContact OE2-NZ 3.26Å; K255-A257 PolarHBondContact O-N 2.9Å; K255-A259 WeakPolarHBondContact CD-O 3.29Å; K255-A259 WeakPolarHBondContact CE-O 3.43Å; K255-A259 PolarHBondContact NZ-O 3.5Å; K255-D260 PolarHBondContact NZ-O 3.5Å
256	F	93.2	Very high	96.6	Very high	56 Å²	56	30.8 Å²	30.8	25%	0.246	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-59.3	132.8	173.4	-177.7	-95.4	0	0	0	111.1	G258 A259 T262 H282 L284 F288	F256-G258 PolarHBondContact O-N 2.88Å; F256-A259 HydrophobicContact CB-CB 4.15Å; F256-A259 HydrophobicContact CD1-CB 4.33Å; F256-A259 WeakPolarHBondContact O-CB 3.38Å; F256-A259 PolarHBondContact O-N 3.2Å; F256-T262 WeakPolarHBondContact CB-OG1 3.42Å; F256-T262 PolarHBondContact N-OG1 3.44Å; F256-H282 HydrophobicContact CB-CB 4.47Å; F256-H282 VanDerWaalsContact CB-ND1 3.26Å; F256-H282 WeakPolarHBondContact CB-ND1 3.4Å; F256-L284 HydrophobicContact CD1-CD2 3.81Å; F256-L284 HydrophobicContact CE1-CD2 4.05Å; F256-F288 HydrophobicContact CE1-CE2 4.26Å; F256-F288 HydrophobicContact CE1-CZ 4.02Å
257	A	90.2	Very high	96.5	Very high	33 Å²	33	29.8 Å²	29.8	27%	0.273	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	126.4	-175.2	0	0	0	0	0	110.5	V134 K255 A259	V134-A257 HydrophobicContact CG1-CB 3.39Å; K255-A257 PolarHBondContact O-N 2.9Å; A257-A259 VanDerWaalsContact C-N 3.35Å
258	G	90	Very high	96.5	Very high	22 Å²	22	26.8 Å²	26.8	23%	0.227	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	1.7	-175.7	0	0	0	0	0	115.6	F256 N287	F256-G258 PolarHBondContact O-N 2.88Å; G258-N287 VanDerWaalsContact CA-ND2 3.26Å; G258-N287 WeakPolarHBondContact CA-ND2 3.36Å; G258-N287 WeakPolarHBondContact O-CB 3.39Å; G258-N287 PolarHBondContact O-ND2 3.34Å
259	A	95.2	Very high	96.4	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.033	13%	0.134	C	C	.	.			trans	-83.5	147	171.7	0	0	0	0	0	112.7	K255 F256 A257 H282 H283 L284	K255-A259 WeakPolarHBondContact CD-O 3.29Å; K255-A259 WeakPolarHBondContact CE-O 3.43Å; K255-A259 PolarHBondContact NZ-O 3.5Å; F256-A259 HydrophobicContact CB-CB 4.15Å; F256-A259 HydrophobicContact CD1-CB 4.33Å; F256-A259 WeakPolarHBondContact O-CB 3.38Å; F256-A259 PolarHBondContact O-N 3.2Å; A257-A259 VanDerWaalsContact C-N 3.35Å; A259-H282 HydrophobicContact CB-CB 4.43Å; A259-H283 WeakPolarHBondContact CB-O 3.43Å; A259-L284 HydrophobicContact CB-CD2 3.9Å
260	D	97.5	Very high	96.2	Very high	65 Å²	65	23.6 Å²	23.6	35%	0.348	12%	0.124	S	C	.	.	S	Bend	trans	-63.5	-46.9	166.9	-82.4	11.2	0	0	0	109.3	K255 H283	K255-D260 PolarHBondContact NZ-O 3.5Å; D260-H283 PolarHBondContact N-O 3.28Å; D260-H283 IonicContact OD2-CD2 3.52Å; D260-H283 IonicContact OD2-NE2 3.42Å
261	F	98.4	Very high	95.9	Very high	17 Å²	17	24.8 Å²	24.8	8%	0.075	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	162.2	170.4	67.4	-90	0	0	0	112.5	V223 V226 T263 H283	V223-F261 HydrophobicContact CG1-CZ 4.17Å; V223-F261 HydrophobicContact CG2-CE1 4.09Å; V223-F261 HydrophobicContact CG2-CZ 4.21Å; V226-F261 HydrophobicContact CB-CE2 4.49Å; V226-F261 HydrophobicContact CG1-CE2 3.84Å; V226-F261 HydrophobicContact CG1-CZ 4.42Å; F261-T263 HydrophobicContact CD2-CG2 3.92Å; F261-T263 HydrophobicContact CE2-CG2 3.77Å; F261-H283 HydrophobicContact CD1-CB 3.65Å; F261-H283 HydrophobicContact CD2-CB 4.3Å; F261-H283 HydrophobicContact CE1-CB 3.3Å; F261-H283 AromaticContact CE1-CD2 3.56Å; F261-H283 AromaticContact CE1-CG 3.63Å; F261-H283 HydrophobicContact CE2-CB 4.01Å; F261-H283 HydrophobicContact CG-CB 4.13Å; F261-H283 HydrophobicContact CZ-CB 3.49Å; F261-H283 VanDerWaalsContact CZ-CB 3.49Å; F261-H283 PolarHBondContact N-O 3.3Å; F261-H283 PolarHBondContact O-N 3.01Å
262	T	98.7	Very high	95.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.8	173.9	-67.6	0	0	0	0	109.7	R249 K250 F256 T280 H282	R249-T262 CarbonylContact C-O 3.48Å; R249-T262 WeakPolarHBondContact CA-O 3.47Å; R249-T262 WeakPolarHBondContact CG-O 3.29Å; K250-T262 HydrophobicContact CB-CG2 4.33Å; K250-T262 HydrophobicContact CG-CG2 3.65Å; K250-T262 PolarHBondContact N-O 3.35Å; F256-T262 WeakPolarHBondContact CB-OG1 3.42Å; F256-T262 PolarHBondContact N-OG1 3.44Å; T262-T280 HydrophobicContact CG2-CG2 3.99Å; T262-H282 VanDerWaalsContact CG2-CE1 3.46Å; T262-H282 WeakPolarHBondContact CG2-CE1 3.37Å; T262-H282 WeakPolarHBondContact CG2-ND1 3.31Å; T262-H282 PolarHBondContact OG1-ND1 2.92Å
263	T	98.9	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	154.6	165.8	78.4	0	0	0	0	110.2	V226 Y227 G248 F261 T280 S281 F502	V226-T263 HydrophobicContact CG1-CG2 3.81Å; Y227-T263 HydrophobicContact CD1-CG2 4.46Å; Y227-T263 HydrophobicContact CE1-CG2 3.96Å; G248-T263 CarbonylContact O-C 3.42Å; G248-T263 VanDerWaalsContact O-CA 3.3Å; G248-T263 WeakPolarHBondContact O-CA 3.27Å; F261-T263 HydrophobicContact CD2-CG2 3.92Å; F261-T263 HydrophobicContact CE2-CG2 3.77Å; T263-T280 WeakPolarHBondContact O-CA 3.44Å; T263-S281 PolarHBondContact N-O 3.04Å; T263-S281 PolarHBondContact O-N 3.23Å; T263-S281 PolarHBondContact OG1-O 3.28Å; T263-S281 PolarHBondContact OG1-OG 3.27Å; T263-F502 HydrophobicContact CG2-CZ 3.95Å
264	T	98.9	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	151.2	-172	-169.2	0	0	0	0	111.5	L230 G248 K250 E266 A279 C499	L230-T264 VanDerWaalsContact CD1-C 3.48Å; G248-T264 PolarHBondContact N-O 3.43Å; G248-T264 PolarHBondContact O-N 3.42Å; K250-T264 HydrophobicContact CD-CG2 3.99Å; K250-T264 HydrophobicContact CG-CG2 4.24Å; T264-E266 HydrophobicContact CG2-CG 4Å; T264-E266 PolarHBondContact OG1-OE1 3.07Å; T264-A279 WeakPolarHBondContact CA-O 3.33Å; T264-A279 PolarHBondContact OG1-O 3.23Å; T264-A279 VanDerWaalsContact OG1-O 3.13Å; T264-C499 HydrophobicContact CG2-CB 3.58Å
265	I	98.8	Very high	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.3	160.6	55.2	168.2	0	0	0	109.1	L230 Y237 V245 I246 K247 A278 A279	L230-I265 HydrophobicContact CD1-CG2 3.61Å; L230-I265 HydrophobicContact CG-CG2 4.2Å; Y237-I265 HydrophobicContact CD2-CD1 3.45Å; Y237-I265 VanDerWaalsContact CD2-CD1 3.45Å; Y237-I265 HydrophobicContact CE2-CD1 3.7Å; Y237-I265 HydrophobicContact CG-CD1 4.29Å; V245-I265 HydrophobicContact CB-CB 4.07Å; V245-I265 HydrophobicContact CG1-CB 4.48Å; V245-I265 HydrophobicContact CG1-CD1 4.44Å; V245-I265 HydrophobicContact CG2-CB 4.06Å; V245-I265 HydrophobicContact CG2-CG2 4.1Å; I246-I265 WeakPolarHBondContact O-CA 3.44Å; K247-I265 HydrophobicContact CG-CG2 3.83Å; I265-A278 HydrophobicContact CD1-CB 3.87Å; I265-A278 HydrophobicContact CG1-CB 3.74Å; I265-A278 WeakPolarHBondContact O-CB 3.11Å; I265-A278 PolarHBondContact O-N 3.06Å; I265-A279 HydrophobicContact CD1-CB 3.96Å; I265-A279 HydrophobicContact CG1-CB 3.88Å; I265-A279 PolarHBondContact N-O 3.31Å; I265-A279 VanDerWaalsContact N-O 3.13Å
266	E	98.5	Very high	95.8	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.019	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.3	179.4	-65.4	-63.8	159	0	0	109.8	V245 I246 K250 T264 I276 Q277 L498 C499	V245-E266 CarbonylContact C-O 3.56Å; V245-E266 WeakPolarHBondContact CA-O 3.42Å; I246-E266 PolarHBondContact N-O 2.75Å; I246-E266 PolarHBondContact O-N 3.27Å; K250-E266 IonicContact NZ-OE1 2.94Å; K250-E266 PolarHBondContact NZ-OE1 2.92Å; T264-E266 HydrophobicContact CG2-CG 4Å; T264-E266 PolarHBondContact OG1-OE1 3.07Å; E266-I276 VanDerWaalsContact OE2-C 3.27Å; E266-Q277 WeakPolarHBondContact OE2-CA 3.41Å; E266-Q277 PolarHBondContact OE2-N 2.88Å; E266-L498 HydrophobicContact CG-CB 4.17Å; E266-C499 HydrophobicContact CG-CB 4.12Å
267	G	97.8	Very high	96	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.021	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	169.3	170	0	0	0	0	0	111.7	G275 I276	G267-G275 CarbonylContact O-C 3.58Å; G267-G275 VanDerWaalsContact O-CA 3.32Å; G267-G275 WeakPolarHBondContact O-CA 3.28Å; G267-I276 PolarHBondContact N-O 3.4Å; G267-I276 PolarHBondContact O-N 2.84Å
268	Y	97.9	Very high	96.4	Very high	6 Å²	6	16.6 Å²	16.6	2%	0.024	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.2	173.1	174.1	-109.8	0	0	0	110.2	P270 M446 F449 K466 I468	Y268-P270 HydrophobicContact CD1-CB 4.42Å; Y268-P270 HydrophobicContact CD1-CG 3.84Å; Y268-P270 VanDerWaalsContact CE1-CA 3.45Å; Y268-P270 HydrophobicContact CE1-CB 3.8Å; Y268-P270 HydrophobicContact CE1-CG 3.72Å; Y268-P270 WeakPolarHBondContact O-CD 3.3Å; Y268-M446 HydrophobicContact CD1-CB 4.49Å; Y268-F449 HydrophobicContact CD1-CB 4.22Å; Y268-F449 HydrophobicContact CE1-CB 3.37Å; Y268-F449 AromaticContact CE1-CD2 3.58Å; Y268-F449 HydrophobicContact CE1-CD2 3.58Å; Y268-F449 AromaticContact CE1-CG 3.69Å; Y268-F449 HydrophobicContact CE1-CG 3.69Å; Y268-F449 HydrophobicContact CE2-CB 4.23Å; Y268-F449 AromaticContact CZ-CD2 3.99Å; Y268-F449 AromaticContact CZ-CG 3.69Å; Y268-F449 WeakPolarHBondContact OH-CB 3.43Å; Y268-F449 WeakPolarHBondContact OH-CD1 3.42Å; Y268-F449 WeakPolarHBondContact OH-CG 3.41Å; Y268-K466 WeakPolarHBondContact CE2-O 3.37Å; Y268-K466 PolarHBondContact OH-O 3.36Å; Y268-I468 HydrophobicContact CD2-CD1 4.29Å; Y268-I468 HydrophobicContact CD2-CG1 4.21Å; Y268-I468 HydrophobicContact CD2-CG2 3.79Å; Y268-I468 HydrophobicContact CE2-CG2 4.24Å; Y268-I468 HydrophobicContact CG-CD1 4.35Å
269	I	97.1	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	103.1	177.2	-52.6	-54	0	0	0	109	F64 S271 T272 G273 R274 I276 V321 M324 I325 Y533	F64-I269 HydrophobicContact CZ-CG2 4.38Å; I269-S271 PolarHBondContact O-N 3.42Å; I269-T272 WeakPolarHBondContact CG2-OG1 3.34Å; I269-T272 PolarHBondContact O-N 3.4Å; I269-T272 PolarHBondContact O-OG1 3.46Å; I269-G273 PolarHBondContact O-N 2.87Å; I269-R274 PolarHBondContact N-O 2.79Å; I269-R274 PolarHBondContact O-N 2.97Å; I269-I276 HydrophobicContact CD1-CG2 3.85Å; I269-I276 HydrophobicContact CG1-CB 4.38Å; I269-I276 HydrophobicContact CG1-CG2 3.84Å; I269-V321 HydrophobicContact CD1-CG1 4.35Å; I269-M324 HydrophobicContact CD1-CB 4.16Å; I269-M324 HydrophobicContact CD1-CE 3.6Å; I269-M324 HydrophobicContact CG1-CE 3.75Å; I269-M324 HydrophobicContact CG2-CB 3.92Å; I269-M324 HydrophobicContact CG2-CE 4.47Å; I269-M324 HydrophobicContact CG2-SD 4.28Å; I269-I325 HydrophobicContact CD1-CD1 4.08Å; I269-I325 HydrophobicContact CD1-CG1 3.8Å; I269-Y533 HydrophobicContact CB-CE2 3.69Å; I269-Y533 HydrophobicContact CG1-CD2 4.09Å; I269-Y533 HydrophobicContact CG1-CE2 3.5Å; I269-Y533 VanDerWaalsContact CG1-CE2 3.5Å; I269-Y533 HydrophobicContact CG2-CE2 4.09Å
270	P	93.6	Very high	96.9	Very high	15 Å²	15	16.2 Å²	16.2	10%	0.097	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-39.6	-169.7	-25.5	35.6	0	0	0	114.5	Y268 T272 G273 E445	Y268-P270 HydrophobicContact CD1-CB 4.42Å; Y268-P270 HydrophobicContact CD1-CG 3.84Å; Y268-P270 VanDerWaalsContact CE1-CA 3.45Å; Y268-P270 HydrophobicContact CE1-CB 3.8Å; Y268-P270 HydrophobicContact CE1-CG 3.72Å; Y268-P270 WeakPolarHBondContact O-CD 3.3Å; P270-T272 PolarHBondContact O-N 3.45Å; P270-G273 PolarHBondContact O-N 3.18Å; P270-E445 HydrophobicContact CB-CG 3.69Å; P270-E445 WeakPolarHBondContact CB-OE1 3.36Å; P270-E445 HydrophobicContact CG-CB 4.35Å; P270-E445 HydrophobicContact CG-CG 3.56Å; P270-E445 VanDerWaalsContact CG-OE2 3.3Å; P270-E445 WeakPolarHBondContact CG-OE2 3.18Å
271	S	92.2	Very high	97	Very high	33 Å²	33	13.1 Å²	13.1	23%	0.231	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.4	-179.6	48.8	0	0	0	0	113.3	F64 I269 K466	F64-S271 VanDerWaalsContact CD2-OG 3.27Å; F64-S271 WeakPolarHBondContact CD2-OG 3.44Å; F64-S271 WeakPolarHBondContact CE2-OG 3.39Å; I269-S271 PolarHBondContact O-N 3.42Å; S271-K466 PolarHBondContact O-NZ 3.24Å
272	T	92.6	Very high	97	Very high	26 Å²	26	13 Å²	13	16%	0.16	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-13.4	179.6	59.7	0	0	0	0	114	F64 I269 P270 Y533	F64-T272 HydrophobicContact CB-CG2 4.19Å; F64-T272 HydrophobicContact CD1-CG2 3.37Å; F64-T272 HydrophobicContact CD2-CG2 4.06Å; F64-T272 HydrophobicContact CE1-CG2 3.62Å; F64-T272 HydrophobicContact CE2-CG2 4.27Å; F64-T272 HydrophobicContact CG-CG2 3.58Å; F64-T272 HydrophobicContact CZ-CG2 4.03Å; I269-T272 WeakPolarHBondContact CG2-OG1 3.34Å; I269-T272 PolarHBondContact O-N 3.4Å; I269-T272 PolarHBondContact O-OG1 3.46Å; P270-T272 PolarHBondContact O-N 3.45Å; T272-Y533 WeakPolarHBondContact CB-OH 3.3Å; T272-Y533 WeakPolarHBondContact CG2-OH 3.31Å; T272-Y533 VanDerWaalsContact OG1-CE2 3.28Å; T272-Y533 WeakPolarHBondContact OG1-CE2 3.46Å; T272-Y533 PolarHBondContact OG1-OH 2.93Å
273	G	94	Very high	97	Very high	1 Å²	1	13 Å²	13	1%	0.01	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	38.6	-179.4	0	0	0	0	0	113.3	I269 P270 K466	I269-G273 PolarHBondContact O-N 2.87Å; P270-G273 PolarHBondContact O-N 3.18Å; G273-K466 VanDerWaalsContact CA-CB 3.49Å; G273-K466 VanDerWaalsContact CA-O 3.32Å; G273-K466 WeakPolarHBondContact CA-O 3.42Å
274	R	94.7	Very high	96.9	Very high	72 Å²	72	13 Å²	13	27%	0.272	7%	0.067	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139	-169.8	-64.8	177.6	-173.2	-160.7	-2	112.2	I269 M493 R531 Y533	I269-R274 PolarHBondContact N-O 2.79Å; I269-R274 PolarHBondContact O-N 2.97Å; R274-M493 HydrophobicContact CG-CE 4.24Å; R274-M493 VanDerWaalsContact NE-CE 3.34Å; R274-R531 CarbonylContact C-O 3.55Å; R274-R531 WeakPolarHBondContact CA-O 3.36Å; R274-R531 WeakPolarHBondContact CB-O 3.21Å; R274-R531 HydrophobicContact CG-CB 4.02Å; R274-Y533 HydrophobicContact CB-CD2 3.61Å; R274-Y533 HydrophobicContact CB-CE2 3.58Å; R274-Y533 HydrophobicContact CG-CD2 4.45Å; R274-Y533 HydrophobicContact CG-CE2 4.28Å
275	G	96.5	Very high	96.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	151.6	161.8	0	0	0	0	0	111.2	G267 R531 S532 Y533	G267-G275 CarbonylContact O-C 3.58Å; G267-G275 VanDerWaalsContact O-CA 3.32Å; G267-G275 WeakPolarHBondContact O-CA 3.28Å; G275-R531 PolarHBondContact N-O 2.84Å; G275-S532 CarbonylContact O-C 3.55Å; G275-S532 WeakPolarHBondContact O-CA 3.23Å; G275-Y533 PolarHBondContact O-N 3.29Å
276	I	96.8	Very high	96.8	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	120.6	175.7	-175.2	158	0	0	0	110.5	L202 E266 G267 I269 A278 R317 V321 M324 Y533	L202-I276 HydrophobicContact CD2-CD1 3.53Å; E266-I276 VanDerWaalsContact OE2-C 3.27Å; G267-I276 PolarHBondContact N-O 3.4Å; G267-I276 PolarHBondContact O-N 2.84Å; I269-I276 HydrophobicContact CD1-CG2 3.85Å; I269-I276 HydrophobicContact CG1-CB 4.38Å; I269-I276 HydrophobicContact CG1-CG2 3.84Å; I276-A278 PolarHBondContact O-N 2.95Å; I276-R317 HydrophobicContact CD1-CG 4.32Å; I276-V321 HydrophobicContact CD1-CG2 3.83Å; I276-V321 HydrophobicContact CG1-CG2 4.27Å; I276-V321 HydrophobicContact CG2-CG2 4.21Å; I276-M324 HydrophobicContact CD1-CE 3.91Å; I276-Y533 HydrophobicContact CB-CD2 4.1Å; I276-Y533 HydrophobicContact CD1-CD2 4.14Å; I276-Y533 HydrophobicContact CD1-CG 4.03Å
277	Q	97.8	Very high	96.5	Very high	73 Å²	73	17.4 Å²	17.4	34%	0.341	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	117.6	171.7	-176.5	-179.4	-61.9	0	0	109.1	K250 E266 T280 R317	K250-Q277 VanDerWaalsContact NZ-OE1 3.09Å; E266-Q277 WeakPolarHBondContact OE2-CA 3.41Å; E266-Q277 PolarHBondContact OE2-N 2.88Å; Q277-T280 VanDerWaalsContact CD-CG2 3.49Å; Q277-T280 HydrophobicContact CG-CG2 3.95Å; Q277-T280 VanDerWaalsContact NE2-CG2 3.29Å; Q277-R317 VanDerWaalsContact O-CD 3.3Å; Q277-R317 WeakPolarHBondContact O-CD 3.27Å; Q277-R317 PolarHBondContact O-NH1 2.79Å
278	A	98.1	Very high	96.4	Very high	5 Å²	5	17.3 Å²	17.3	4%	0.041	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-46.9	-173.9	0	0	0	0	0	112.4	Y237 I265 I276	Y237-A278 HydrophobicContact CD1-CB 4.34Å; Y237-A278 HydrophobicContact CD2-CB 4.26Å; Y237-A278 HydrophobicContact CE1-CB 3.69Å; Y237-A278 HydrophobicContact CE2-CB 3.59Å; Y237-A278 WeakPolarHBondContact OH-CA 3.19Å; Y237-A278 VanDerWaalsContact OH-CB 3.3Å; Y237-A278 WeakPolarHBondContact OH-CB 3.25Å; Y237-A278 PolarHBondContact OH-O 3.03Å; I265-A278 HydrophobicContact CD1-CB 3.87Å; I265-A278 HydrophobicContact CG1-CB 3.74Å; I265-A278 WeakPolarHBondContact O-CB 3.11Å; I265-A278 PolarHBondContact O-N 3.06Å; I276-A278 PolarHBondContact O-N 2.95Å
279	A	98.5	Very high	96.3	Very high	4 Å²	4	17 Å²	17	3%	0.033	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	162	174.8	0	0	0	0	0	110.3	Y233 T264 I265 L314	Y233-A279 HydrophobicContact CD1-CB 4.27Å; Y233-A279 HydrophobicContact CD2-CB 3.5Å; Y233-A279 VanDerWaalsContact CD2-CB 3.5Å; Y233-A279 HydrophobicContact CE2-CB 4Å; Y233-A279 HydrophobicContact CG-CB 3.63Å; T264-A279 WeakPolarHBondContact CA-O 3.33Å; T264-A279 PolarHBondContact OG1-O 3.23Å; T264-A279 VanDerWaalsContact OG1-O 3.13Å; I265-A279 HydrophobicContact CD1-CB 3.96Å; I265-A279 HydrophobicContact CG1-CB 3.88Å; I265-A279 PolarHBondContact N-O 3.31Å; I265-A279 VanDerWaalsContact N-O 3.13Å; A279-L314 HydrophobicContact CB-CB 3.96Å
280	T	98.7	Very high	96.2	Very high	14 Å²	14	23.4 Å²	23.4	9%	0.086	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.2	-179.6	48	0	0	0	0	112.1	Y233 T262 T263 Q277 H282 W312 G313	Y233-T280 WeakPolarHBondContact CE2-O 3.39Å; T262-T280 HydrophobicContact CG2-CG2 3.99Å; T263-T280 WeakPolarHBondContact O-CA 3.44Å; Q277-T280 VanDerWaalsContact CD-CG2 3.49Å; Q277-T280 HydrophobicContact CG-CG2 3.95Å; Q277-T280 VanDerWaalsContact NE2-CG2 3.29Å; T280-H282 WeakPolarHBondContact CB-CE1 3.36Å; T280-H282 PolarHBondContact OG1-CE1 3.3Å; T280-H282 PolarHBondContact OG1-NE2 3.19Å; T280-W312 WeakPolarHBondContact O-CA 3.32Å; T280-G313 PolarHBondContact N-O 3.15Å; T280-G313 PolarHBondContact O-N 2.99Å
281	S	98.8	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.6	166.1	57.7	0	0	0	0	109.8	V226 T263	V226-S281 WeakPolarHBondContact CG1-OG 3.34Å; V226-S281 PolarHBondContact O-OG 3.27Å; T263-S281 PolarHBondContact N-O 3.04Å; T263-S281 PolarHBondContact O-N 3.23Å; T263-S281 PolarHBondContact OG1-O 3.28Å; T263-S281 PolarHBondContact OG1-OG 3.27Å
282	H	98.5	Very high	96.2	Very high	16 Å²	16	22 Å²	22	7%	0.074	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.7	-168.4	-47.2	-68.7	0	0	0	109.1	F256 A259 T262 T280 L284 N310 S311	F256-H282 HydrophobicContact CB-CB 4.47Å; F256-H282 VanDerWaalsContact CB-ND1 3.26Å; F256-H282 WeakPolarHBondContact CB-ND1 3.4Å; A259-H282 HydrophobicContact CB-CB 4.43Å; T262-H282 VanDerWaalsContact CG2-CE1 3.46Å; T262-H282 WeakPolarHBondContact CG2-CE1 3.37Å; T262-H282 WeakPolarHBondContact CG2-ND1 3.31Å; T262-H282 PolarHBondContact OG1-ND1 2.92Å; T280-H282 WeakPolarHBondContact CB-CE1 3.36Å; T280-H282 PolarHBondContact OG1-CE1 3.3Å; T280-H282 PolarHBondContact OG1-NE2 3.19Å; H282-L284 HydrophobicContact CB-CD2 3.84Å; H282-L284 HydrophobicContact CB-CG 4.49Å; H282-N310 WeakPolarHBondContact O-CA 3.41Å; H282-N310 WeakPolarHBondContact O-CB 3.41Å; H282-S311 WeakPolarHBondContact CA-O 3.13Å; H282-S311 VanDerWaalsContact CB-O 3.27Å; H282-S311 WeakPolarHBondContact CB-O 3.41Å; H282-S311 PolarHBondContact CD2-O 2.84Å; H282-S311 PolarHBondContact N-O 3.16Å; H282-S311 PolarHBondContact O-N 2.97Å; H282-S311 VanDerWaalsContact O-N 3.12Å
283	H	98.7	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	107.1	160.9	-171.3	50.9	0	0	0	107.9	V226 A259 D260 F261 G285 N310	V226-H283 HydrophobicContact CG2-CB 4.01Å; A259-H283 WeakPolarHBondContact CB-O 3.43Å; D260-H283 PolarHBondContact N-O 3.28Å; D260-H283 IonicContact OD2-CD2 3.52Å; D260-H283 IonicContact OD2-NE2 3.42Å; F261-H283 HydrophobicContact CD1-CB 3.65Å; F261-H283 HydrophobicContact CD2-CB 4.3Å; F261-H283 HydrophobicContact CE1-CB 3.3Å; F261-H283 AromaticContact CE1-CD2 3.56Å; F261-H283 AromaticContact CE1-CG 3.63Å; F261-H283 HydrophobicContact CE2-CB 4.01Å; F261-H283 HydrophobicContact CG-CB 4.13Å; F261-H283 HydrophobicContact CZ-CB 3.49Å; F261-H283 VanDerWaalsContact CZ-CB 3.49Å; F261-H283 PolarHBondContact N-O 3.3Å; F261-H283 PolarHBondContact O-N 3.01Å; H283-G285 PolarHBondContact O-N 3.01Å; H283-N310 PolarHBondContact ND1-OD1 2.78Å
284	L	97.3	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-4.9	-178.8	-57.6	-177.4	0	0	0	112.9	Y167 F256 A259 H282 Q286 N287 F288 Q309	Y167-L284 HydrophobicContact CE2-CD1 4.21Å; Y167-L284 WeakPolarHBondContact OH-CD1 3.5Å; F256-L284 HydrophobicContact CD1-CD2 3.81Å; F256-L284 HydrophobicContact CE1-CD2 4.05Å; A259-L284 HydrophobicContact CB-CD2 3.9Å; H282-L284 HydrophobicContact CB-CD2 3.84Å; H282-L284 HydrophobicContact CB-CG 4.49Å; L284-Q286 PolarHBondContact O-N 3.16Å; L284-N287 PolarHBondContact O-N 3.44Å; L284-F288 HydrophobicContact CB-CD2 4.05Å; L284-F288 HydrophobicContact CD1-CD2 3.92Å; L284-F288 HydrophobicContact CD1-CE2 4.27Å; L284-F288 HydrophobicContact CD1-CG 4.45Å; L284-F288 HydrophobicContact CD2-CD2 4.31Å; L284-F288 HydrophobicContact CD2-CE2 4.03Å; L284-F288 HydrophobicContact CG-CD2 4.33Å; L284-Q309 WeakPolarHBondContact CA-O 3.42Å; L284-Q309 HydrophobicContact CB-CB 4.13Å; L284-Q309 WeakPolarHBondContact CB-O 3.46Å; L284-Q309 HydrophobicContact CD1-CB 4.35Å; L284-Q309 PolarHBondContact N-O 3.09Å
285	G	97.9	Very high	96.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.1	-130.3	-173.8	0	0	0	0	0	110	H283 Y308 Q309	H283-G285 PolarHBondContact O-N 3.01Å; G285-Y308 CarbonylContact O-C 3.58Å; G285-Y308 WeakPolarHBondContact O-CA 3.48Å; G285-Q309 PolarHBondContact O-N 3.06Å
286	Q	97	Very high	96.7	Very high	42 Å²	42	26.3 Å²	26.3	20%	0.196	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	10.3	177.6	-60.5	-179.6	-39.9	0	0	112.6	L284 A289 K290 P306 Y308	L284-Q286 PolarHBondContact O-N 3.16Å; Q286-A289 PolarHBondContact O-N 2.77Å; Q286-K290 HydrophobicContact CB-CD 4.48Å; Q286-K290 WeakPolarHBondContact O-CB 3.31Å; Q286-K290 VanDerWaalsContact O-CG 3.27Å; Q286-K290 WeakPolarHBondContact O-CG 3.41Å; Q286-K290 PolarHBondContact O-N 2.89Å; Q286-P306 HydrophobicContact CB-CB 4.35Å; Q286-P306 HydrophobicContact CB-CG 4.42Å; Q286-P306 HydrophobicContact CG-CG 4.46Å; Q286-P306 PolarHBondContact NE2-O 3.2Å; Q286-Y308 HydrophobicContact CG-CD1 3.74Å; Q286-Y308 HydrophobicContact CG-CE1 3.67Å; Q286-Y308 HydrophobicContact CG-CG 4.22Å
287	N	93.1	Very high	96.6	Very high	56 Å²	56	30.9 Å²	30.9	30%	0.299	15%	0.147	S	C	.	.	H	α-helix	trans	-62.9	-54.8	-171.2	-173.4	28	0	0	0	111.5	G258 L284 A289 K290 M291	G258-N287 VanDerWaalsContact CA-ND2 3.26Å; G258-N287 WeakPolarHBondContact CA-ND2 3.36Å; G258-N287 WeakPolarHBondContact O-CB 3.39Å; G258-N287 PolarHBondContact O-ND2 3.34Å; L284-N287 PolarHBondContact O-N 3.44Å; N287-A289 VanDerWaalsContact C-N 3.33Å; N287-A289 PolarHBondContact O-N 2.98Å; N287-K290 PolarHBondContact O-N 3.38Å; N287-M291 PolarHBondContact O-N 2.95Å
288	F	93.8	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.8	-33.2	175.8	-69.9	-94.7	0	0	0	112.3	V134 E163 Y167 F256 L284 K290 M291 F292 Q309	V134-F288 HydrophobicContact CG2-CZ 4.35Å; E163-F288 HydrophobicContact CB-CD1 4.21Å; E163-F288 HydrophobicContact CB-CE1 4.03Å; E163-F288 HydrophobicContact CG-CD1 4.37Å; E163-F288 HydrophobicContact CG-CE1 4.09Å; E163-F288 HydrophobicContact CG-CZ 4.48Å; Y167-F288 HydrophobicContact CD2-CB 3.77Å; Y167-F288 AromaticContact CD2-CD1 3.92Å; Y167-F288 HydrophobicContact CD2-CD1 3.92Å; Y167-F288 HydrophobicContact CD2-CG 4.15Å; Y167-F288 HydrophobicContact CE2-CB 3.62Å; Y167-F288 AromaticContact CE2-CD1 3.74Å; Y167-F288 HydrophobicContact CE2-CD1 3.74Å; Y167-F288 AromaticContact CE2-CG 3.76Å; Y167-F288 HydrophobicContact CE2-CG 3.76Å; F256-F288 HydrophobicContact CE1-CE2 4.26Å; F256-F288 HydrophobicContact CE1-CZ 4.02Å; L284-F288 HydrophobicContact CB-CD2 4.05Å; L284-F288 HydrophobicContact CD1-CD2 3.92Å; L284-F288 HydrophobicContact CD1-CE2 4.27Å; L284-F288 HydrophobicContact CD1-CG 4.45Å; L284-F288 HydrophobicContact CD2-CD2 4.31Å; L284-F288 HydrophobicContact CD2-CE2 4.03Å; L284-F288 HydrophobicContact CG-CD2 4.33Å; F288-K290 VanDerWaalsContact C-N 3.34Å; F288-K290 PolarHBondContact O-N 3.3Å; F288-M291 HydrophobicContact CD1-CE 4.15Å; F288-M291 HydrophobicContact CE1-CE 4.33Å; F288-M291 WeakPolarHBondContact O-CB 3.33Å; F288-M291 PolarHBondContact O-N 2.95Å; F288-F292 HydrophobicContact CB-CD2 4.44Å; F288-F292 HydrophobicContact CD1-CD2 4.46Å; F288-F292 HydrophobicContact CD1-CE2 4.05Å; F288-F292 WeakPolarHBondContact O-CD2 3.19Å; F288-F292 PolarHBondContact O-N 2.9Å; F288-Q309 VanDerWaalsContact C-OE1 3.29Å
289	A	96.1	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-40.6	179.1	0	0	0	0	0	111.3	Q286 N287 E293 I294 P306 V307 Q309	Q286-A289 PolarHBondContact O-N 2.77Å; N287-A289 VanDerWaalsContact C-N 3.33Å; N287-A289 PolarHBondContact O-N 2.98Å; A289-E293 CarbonylContact O-C 3.48Å; A289-E293 VanDerWaalsContact O-CA 3.3Å; A289-E293 WeakPolarHBondContact O-CA 3.31Å; A289-E293 PolarHBondContact O-N 2.71Å; A289-I294 HydrophobicContact CB-CB 4.23Å; A289-I294 PolarHBondContact O-N 3.3Å; A289-P306 HydrophobicContact CB-CB 4.01Å; A289-V307 HydrophobicContact CB-CG2 3.85Å; A289-V307 WeakPolarHBondContact CB-O 3.46Å; A289-Q309 VanDerWaalsContact CA-OE1 3.24Å; A289-Q309 HydrophobicContact CB-CG 4.47Å
290	K	95	Very high	95.8	Very high	134 Å²	134	37.6 Å²	37.6	58%	0.583	19%	0.19	S	C	*	.	H	α-helix	trans	-66.6	-43.7	172.5	-69.9	168.5	-174.9	173.7	0	111	Q286 N287 F288 F292 E293 P306	Q286-K290 HydrophobicContact CB-CD 4.48Å; Q286-K290 WeakPolarHBondContact O-CB 3.31Å; Q286-K290 VanDerWaalsContact O-CG 3.27Å; Q286-K290 WeakPolarHBondContact O-CG 3.41Å; Q286-K290 PolarHBondContact O-N 2.89Å; N287-K290 PolarHBondContact O-N 3.38Å; F288-K290 VanDerWaalsContact C-N 3.34Å; F288-K290 PolarHBondContact O-N 3.3Å; K290-F292 PolarHBondContact O-N 3.45Å; K290-E293 PolarHBondContact O-N 3.48Å; K290-P306 HydrophobicContact CG-CB 4.22Å; K290-P306 HydrophobicContact CG-CG 4.27Å
291	M	92.1	Very high	95.5	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-43.3	179.6	-171.2	-170	-42.9	0	0	112.6	R129 H133 V134 N287 F288	R129-M291 HydrophobicContact CG-CG 4.2Å; R129-M291 HydrophobicContact CG-SD 4.37Å; R129-M291 PolarHBondContact NE-O 2.85Å; R129-M291 PolarHBondContact NH2-O 3.44Å; H133-M291 HydrophobicContact CB-CE 3.28Å; H133-M291 HydrophobicContact CB-CG 4.22Å; H133-M291 HydrophobicContact CB-SD 3.88Å; V134-M291 HydrophobicContact CG2-CE 4.11Å; N287-M291 PolarHBondContact O-N 2.95Å; F288-M291 HydrophobicContact CD1-CE 4.15Å; F288-M291 HydrophobicContact CE1-CE 4.33Å; F288-M291 WeakPolarHBondContact O-CB 3.33Å; F288-M291 PolarHBondContact O-N 2.95Å
292	F	93.7	Very high	95.1	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.057	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	7.4	-175.7	-70.2	-77.5	0	0	0	114	T164 Y167 P168 A171 F288 K290 I294	T164-F292 HydrophobicContact CG2-CZ 4.06Å; Y167-F292 AromaticContact CD2-CD2 3.95Å; Y167-F292 HydrophobicContact CD2-CD2 3.95Å; Y167-F292 HydrophobicContact CD2-CE2 4.17Å; Y167-F292 HydrophobicContact CG-CD2 4.35Å; P168-F292 HydrophobicContact CG-CD1 4.08Å; P168-F292 HydrophobicContact CG-CE1 4.21Å; A171-F292 WeakPolarHBondContact CB-O 3.3Å; F288-F292 HydrophobicContact CB-CD2 4.44Å; F288-F292 HydrophobicContact CD1-CD2 4.46Å; F288-F292 HydrophobicContact CD1-CE2 4.05Å; F288-F292 WeakPolarHBondContact O-CD2 3.19Å; F288-F292 PolarHBondContact O-N 2.9Å; K290-F292 PolarHBondContact O-N 3.45Å; F292-I294 VanDerWaalsContact C-N 3.27Å; F292-I294 HydrophobicContact CB-CD1 4.22Å; F292-I294 HydrophobicContact CB-CG1 4.03Å; F292-I294 PolarHBondContact O-N 3.29Å
293	E	95.6	Very high	94.9	Very high	137 Å²	137	51.1 Å²	51.1	64%	0.64	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	38.6	-178.1	-55.4	-176.4	163.5	0	0	113.7	A289 K290 V295	A289-E293 CarbonylContact O-C 3.48Å; A289-E293 VanDerWaalsContact O-CA 3.3Å; A289-E293 WeakPolarHBondContact O-CA 3.31Å; A289-E293 PolarHBondContact O-N 2.71Å; K290-E293 PolarHBondContact O-N 3.48Å; E293-V295 PolarHBondContact O-N 2.78Å
294	I	97.7	Very high	94.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.29	C	S	.	.			trans	-79.2	89.1	174.2	-49.3	166.5	0	0	0	108.2	Y167 F170 A171 I174 A289 F292 P306 V307 Q309	Y167-I294 HydrophobicContact CD1-CD1 4.06Å; Y167-I294 HydrophobicContact CG-CD1 3.88Å; F170-I294 HydrophobicContact CB-CD1 3.79Å; F170-I294 HydrophobicContact CB-CG1 4.08Å; F170-I294 HydrophobicContact CB-CG2 3.96Å; F170-I294 HydrophobicContact CD2-CD1 4.45Å; A171-I294 HydrophobicContact CB-CG1 4.04Å; I174-I294 HydrophobicContact CD1-CG2 3.75Å; A289-I294 HydrophobicContact CB-CB 4.23Å; A289-I294 PolarHBondContact O-N 3.3Å; F292-I294 VanDerWaalsContact C-N 3.27Å; F292-I294 HydrophobicContact CB-CD1 4.22Å; F292-I294 HydrophobicContact CB-CG1 4.03Å; F292-I294 PolarHBondContact O-N 3.29Å; I294-P306 WeakPolarHBondContact O-CA 3.48Å; I294-V307 HydrophobicContact CB-CG2 3.91Å; I294-V307 HydrophobicContact CG2-CG1 4.3Å; I294-V307 HydrophobicContact CG2-CG2 3.46Å; I294-V307 VanDerWaalsContact CG2-CG2 3.46Å; I294-V307 PolarHBondContact O-N 3.19Å; I294-V307 VanDerWaalsContact O-N 3.14Å; I294-Q309 VanDerWaalsContact CD1-NE2 3.28Å
295	V	97.9	Very high	94.8	Very high	41 Å²	41	62 Å²	62	25%	0.248	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.4	-176.1	-60.6	0	0	0	0	111.1	E293 K304 E305 P306	E293-V295 PolarHBondContact O-N 2.78Å; V295-K304 HydrophobicContact CB-CB 4.34Å; V295-K304 HydrophobicContact CG2-CB 4.25Å; V295-K304 HydrophobicContact CG2-CD 4.02Å; V295-K304 HydrophobicContact CG2-CG 4.42Å; V295-E305 CarbonylContact C-O 3.56Å; V295-E305 WeakPolarHBondContact CA-O 3.46Å; V295-E305 WeakPolarHBondContact CB-O 3.44Å; V295-P306 HydrophobicContact CG1-CB 4.41Å
296	Y	97.1	Very high	94.8	Very high	10 Å²	10	63.5 Å²	63.5	4%	0.039	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	157.4	174.6	75.5	-77.6	0	0	0	110.7	H177 L180 A217 H298 K304 E305 V307	H177-Y296 HydrophobicContact CB-CD2 3.78Å; H177-Y296 HydrophobicContact CB-CE2 3.96Å; L180-Y296 HydrophobicContact CD1-CD1 3.77Å; L180-Y296 HydrophobicContact CD1-CD2 3.98Å; L180-Y296 HydrophobicContact CD1-CE1 4.21Å; L180-Y296 HydrophobicContact CD1-CE2 4.38Å; L180-Y296 HydrophobicContact CD1-CG 3.64Å; A217-Y296 HydrophobicContact CB-CE1 4.24Å; A217-Y296 HydrophobicContact CB-CE2 4.13Å; Y296-H298 HydrophobicContact CE2-CB 4.26Å; Y296-H298 PolarHBondContact O-N 3.26Å; Y296-K304 WeakPolarHBondContact O-CA 3.45Å; Y296-E305 VanDerWaalsContact CD1-O 3.24Å; Y296-E305 WeakPolarHBondContact CD1-O 3.37Å; Y296-E305 HydrophobicContact CE1-CB 4.01Å; Y296-E305 PolarHBondContact N-O 3.33Å; Y296-E305 PolarHBondContact O-N 3.17Å; Y296-V307 HydrophobicContact CD1-CG1 3.78Å; Y296-V307 HydrophobicContact CE1-CG1 4.49Å
297	K	95.3	Very high	94.9	Very high	98 Å²	98	61.5 Å²	61.5	43%	0.426	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	113	170.8	-161.8	-174.7	-162.7	-165.5	0	110.9	Q175 H177 Q302	Q175-K297 PolarHBondContact O-N 3.48Å; H177-K297 PolarHBondContact ND1-O 3.34Å; K297-Q302 WeakPolarHBondContact CE-O 3.33Å
298	H	93.2	Very high	95.1	Very high	43 Å²	43	61.4 Å²	61.4	20%	0.199	30%	0.299	C	S	.	.			trans	-64.5	133.4	179.1	-175.8	-67.7	0	0	0	111.2	Y296 V300 T301 Q302 K303 E305	Y296-H298 HydrophobicContact CE2-CB 4.26Å; Y296-H298 PolarHBondContact O-N 3.26Å; H298-V300 PolarHBondContact ND1-N 2.95Å; H298-V300 PolarHBondContact O-N 2.99Å; H298-T301 VanDerWaalsContact CB-OG1 3.29Å; H298-T301 WeakPolarHBondContact CB-OG1 3.31Å; H298-T301 PolarHBondContact ND1-N 3.11Å; H298-Q302 VanDerWaalsContact O-CA 3.23Å; H298-Q302 WeakPolarHBondContact O-CA 3.16Å; H298-Q302 PolarHBondContact O-N 2.63Å; H298-K303 PolarHBondContact N-O 2.97Å; H298-E305 HydrophobicContact CB-CG 4.43Å; H298-E305 IonicContact CD2-OE1 3.52Å; H298-E305 IonicContact CD2-OE2 3.37Å; H298-E305 PolarHBondContact CD2-OE2 3.45Å; H298-E305 IonicContact CG-OE1 3.61Å
299	P	92.4	Very high	95.4	Very high	58 Å²	58	61.4 Å²	61.4	38%	0.377	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-37.7	-171.7	21.3	-31.8	0	0	0	113.8	H177 Q302	H177-P299 HydrophobicContact CB-CG 4.43Å; P299-Q302 PolarHBondContact O-NE2 3.39Å
300	V	92.4	Very high	95.5	Very high	121 Å²	121	61.4 Å²	61.4	73%	0.733	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-60.1	-178.8	-174	0	0	0	0	112.3	H298 Q302	H298-V300 PolarHBondContact ND1-N 2.95Å; H298-V300 PolarHBondContact O-N 2.99Å; V300-Q302 VanDerWaalsContact C-N 3.25Å; V300-Q302 PolarHBondContact O-N 3.35Å
301	T	92.5	Very high	95.6	Very high	69 Å²	69	55.2 Å²	55.2	42%	0.423	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.1	-175.6	68.3	0	0	0	0	113.8	H298 K303 E305	H298-T301 VanDerWaalsContact CB-OG1 3.29Å; H298-T301 WeakPolarHBondContact CB-OG1 3.31Å; H298-T301 PolarHBondContact ND1-N 3.11Å; T301-K303 PolarHBondContact O-N 2.79Å; T301-K303 PolarHBondContact OG1-N 3.46Å; T301-E305 PolarHBondContact OG1-OE1 3.17Å
302	Q	90.6	Very high	96	Very high	99 Å²	99	55 Å²	55	46%	0.463	27%	0.271	S	S	.	.			trans	58.8	7.4	-173.5	-60.6	-70.1	-56.7	0	0	114.5	K297 H298 P299 V300	K297-Q302 WeakPolarHBondContact CE-O 3.33Å; H298-Q302 VanDerWaalsContact O-CA 3.23Å; H298-Q302 WeakPolarHBondContact O-CA 3.16Å; H298-Q302 PolarHBondContact O-N 2.63Å; P299-Q302 PolarHBondContact O-NE2 3.39Å; V300-Q302 VanDerWaalsContact C-N 3.25Å; V300-Q302 PolarHBondContact O-N 3.35Å
303	K	94	Very high	96.2	Very high	146 Å²	146	54.8 Å²	54.8	64%	0.635	27%	0.273	S	S	*	.			trans	-79.9	155.4	176.6	-65.9	-177.2	-179.7	179.6	0	110.5	H298 T301	H298-K303 PolarHBondContact N-O 2.97Å; T301-K303 PolarHBondContact O-N 2.79Å; T301-K303 PolarHBondContact OG1-N 3.46Å
304	K	96.1	Very high	96.3	Very high	170 Å²	170	48.3 Å²	48.3	74%	0.739	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.3	168.3	-70.6	-173.2	174.9	-169	0	108.7	V295 Y296	V295-K304 HydrophobicContact CB-CB 4.34Å; V295-K304 HydrophobicContact CG2-CB 4.25Å; V295-K304 HydrophobicContact CG2-CD 4.02Å; V295-K304 HydrophobicContact CG2-CG 4.42Å; Y296-K304 WeakPolarHBondContact O-CA 3.45Å
305	E	97.3	Very high	96.3	Very high	60 Å²	60	49.6 Å²	49.6	28%	0.28	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.9	179.2	-68.5	179.1	-157.1	0	0	110.1	V295 Y296 H298 T301	V295-E305 CarbonylContact C-O 3.56Å; V295-E305 WeakPolarHBondContact CA-O 3.46Å; V295-E305 WeakPolarHBondContact CB-O 3.44Å; Y296-E305 VanDerWaalsContact CD1-O 3.24Å; Y296-E305 WeakPolarHBondContact CD1-O 3.37Å; Y296-E305 HydrophobicContact CE1-CB 4.01Å; Y296-E305 PolarHBondContact N-O 3.33Å; Y296-E305 PolarHBondContact O-N 3.17Å; H298-E305 HydrophobicContact CB-CG 4.43Å; H298-E305 IonicContact CD2-OE1 3.52Å; H298-E305 IonicContact CD2-OE2 3.37Å; H298-E305 PolarHBondContact CD2-OE2 3.45Å; H298-E305 IonicContact CG-OE1 3.61Å; T301-E305 PolarHBondContact OG1-OE1 3.17Å
306	P	97.8	Very high	96.3	Very high	30 Å²	30	47.8 Å²	47.8	20%	0.195	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	140.8	176.6	25.3	-27.4	0	0	0	111.2	Q286 A289 K290 I294 V295	Q286-P306 HydrophobicContact CB-CB 4.35Å; Q286-P306 HydrophobicContact CB-CG 4.42Å; Q286-P306 HydrophobicContact CG-CG 4.46Å; Q286-P306 PolarHBondContact NE2-O 3.2Å; A289-P306 HydrophobicContact CB-CB 4.01Å; K290-P306 HydrophobicContact CG-CB 4.22Å; K290-P306 HydrophobicContact CG-CG 4.27Å; I294-P306 WeakPolarHBondContact O-CA 3.48Å; V295-P306 HydrophobicContact CG1-CB 4.41Å
307	V	98.5	Very high	96.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-72.3	155.2	176.6	-60.2	0	0	0	0	111.7	I174 L180 A215 Y216 A289 I294 Y296 Q309	I174-V307 HydrophobicContact CG2-CG1 4.3Å; L180-V307 HydrophobicContact CD1-CG1 3.98Å; L180-V307 HydrophobicContact CD2-CG1 4.03Å; A215-V307 HydrophobicContact CB-CB 4.13Å; A215-V307 HydrophobicContact CB-CG1 4.48Å; A215-V307 HydrophobicContact CB-CG2 3.86Å; Y216-V307 WeakPolarHBondContact O-CA 3.38Å; A289-V307 HydrophobicContact CB-CG2 3.85Å; A289-V307 WeakPolarHBondContact CB-O 3.46Å; I294-V307 HydrophobicContact CB-CG2 3.91Å; I294-V307 HydrophobicContact CG2-CG1 4.3Å; I294-V307 HydrophobicContact CG2-CG2 3.46Å; I294-V307 VanDerWaalsContact CG2-CG2 3.46Å; I294-V307 PolarHBondContact O-N 3.19Å; I294-V307 VanDerWaalsContact O-N 3.14Å; Y296-V307 HydrophobicContact CD1-CG1 3.78Å; Y296-V307 HydrophobicContact CE1-CG1 4.49Å; V307-Q309 HydrophobicContact CG2-CG 3.79Å
308	Y	98.7	Very high	96.5	Very high	55 Å²	55	45.1 Å²	45.1	22%	0.216	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.1	165	-67.5	-86.7	0	0	0	109.6	A215 Y216 A217 K219 G285 Q286	A215-Y308 CarbonylContact C-O 3.58Å; A215-Y308 WeakPolarHBondContact CA-O 3.47Å; Y216-Y308 PolarHBondContact N-O 3.07Å; Y216-Y308 PolarHBondContact O-N 2.86Å; A217-Y308 WeakPolarHBondContact O-CD2 3.44Å; K219-Y308 HydrophobicContact CB-CD1 3.88Å; K219-Y308 HydrophobicContact CB-CD2 4.25Å; K219-Y308 HydrophobicContact CB-CE1 3.64Å; K219-Y308 HydrophobicContact CB-CE2 4.02Å; K219-Y308 HydrophobicContact CB-CG 4.18Å; K219-Y308 HydrophobicContact CD-CE1 4Å; K219-Y308 HydrophobicContact CG-CD1 4.01Å; K219-Y308 HydrophobicContact CG-CE1 3.86Å; G285-Y308 CarbonylContact O-C 3.58Å; G285-Y308 WeakPolarHBondContact O-CA 3.48Å; Q286-Y308 HydrophobicContact CG-CD1 3.74Å; Q286-Y308 HydrophobicContact CG-CE1 3.67Å; Q286-Y308 HydrophobicContact CG-CG 4.22Å
309	Q	98.6	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.6	-174.8	-61.9	178.4	-89.1	0	0	112.5	Y167 T214 L284 G285 F288 A289 I294 V307	Y167-Q309 VanDerWaalsContact CD1-NE2 3.25Å; Y167-Q309 VanDerWaalsContact CZ-NE2 3.28Å; T214-Q309 VanDerWaalsContact O-CA 3.24Å; T214-Q309 WeakPolarHBondContact O-CA 3.36Å; L284-Q309 WeakPolarHBondContact CA-O 3.42Å; L284-Q309 HydrophobicContact CB-CB 4.13Å; L284-Q309 WeakPolarHBondContact CB-O 3.46Å; L284-Q309 HydrophobicContact CD1-CB 4.35Å; L284-Q309 PolarHBondContact N-O 3.09Å; G285-Q309 PolarHBondContact O-N 3.06Å; F288-Q309 VanDerWaalsContact C-OE1 3.29Å; A289-Q309 VanDerWaalsContact CA-OE1 3.24Å; A289-Q309 HydrophobicContact CB-CG 4.47Å; I294-Q309 VanDerWaalsContact CD1-NE2 3.28Å; V307-Q309 HydrophobicContact CG2-CG 3.79Å
310	N	98.7	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.1	163.8	-55.1	-37	0	0	0	110.5	H213 T214 A222 E225 V226 H282 H283	H213-N310 WeakPolarHBondContact CA-O 3.37Å; T214-N310 PolarHBondContact N-O 3.12Å; T214-N310 VanDerWaalsContact N-O 3.14Å; T214-N310 PolarHBondContact O-N 2.94Å; T214-N310 VanDerWaalsContact O-N 3.17Å; T214-N310 WeakPolarHBondContact OG1-CB 3.47Å; A222-N310 PolarHBondContact O-ND2 3.36Å; A222-N310 PolarHBondContact O-OD1 3.23Å; E225-N310 PolarHBondContact OE2-ND2 2.7Å; V226-N310 HydrophobicContact CG2-CB 4.24Å; V226-N310 VanDerWaalsContact CG2-OD1 3.32Å; V226-N310 WeakPolarHBondContact CG2-OD1 3.28Å; H282-N310 WeakPolarHBondContact O-CA 3.41Å; H282-N310 WeakPolarHBondContact O-CB 3.41Å; H283-N310 PolarHBondContact ND1-OD1 2.78Å
311	S	98.3	Very high	97.2	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.8	166.2	173.6	0	0	0	0	107.6	E163 G212 H213 H282	E163-S311 PolarHBondContact OE1-OG 2.8Å; E163-S311 VanDerWaalsContact OE1-OG 3.09Å; G212-S311 CarbonylContact O-C 3.5Å; G212-S311 VanDerWaalsContact O-CA 3.27Å; G212-S311 WeakPolarHBondContact O-CA 3.08Å; H213-S311 PolarHBondContact CE1-OG 2.86Å; H282-S311 WeakPolarHBondContact CA-O 3.13Å; H282-S311 VanDerWaalsContact CB-O 3.27Å; H282-S311 WeakPolarHBondContact CB-O 3.41Å; H282-S311 PolarHBondContact CD2-O 2.84Å; H282-S311 PolarHBondContact N-O 3.16Å; H282-S311 PolarHBondContact O-N 2.97Å; H282-S311 VanDerWaalsContact O-N 3.12Å
312	W	98.8	Very high	97.5	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	143.9	-179.1	36.5	-97.6	0	0	0	110.8	F104 I108 V113 N185 Q210 E211 G212 T214 I229 Y233 T280	F104-W312 AromaticContact CE1-CZ3 3.82Å; F104-W312 HydrophobicContact CE1-CZ3 3.82Å; F104-W312 HydrophobicContact CZ-CE3 4.35Å; F104-W312 AromaticContact CZ-CZ3 3.93Å; F104-W312 HydrophobicContact CZ-CZ3 3.93Å; I108-W312 HydrophobicContact CD1-CH2 4.38Å; I108-W312 HydrophobicContact CG2-CH2 4.22Å; I108-W312 HydrophobicContact CG2-CZ3 4.44Å; V113-W312 HydrophobicContact CG1-CH2 4.04Å; V113-W312 HydrophobicContact CG1-CZ2 4.24Å; V113-W312 HydrophobicContact CG2-CH2 4.41Å; V113-W312 HydrophobicContact CG2-CZ2 4.22Å; N185-W312 HydrophobicContact CB-CH2 4.35Å; Q210-W312 VanDerWaalsContact NE2-CE3 3.3Å; E211-W312 CarbonylContact C-O 3.58Å; E211-W312 WeakPolarHBondContact CA-O 3.5Å; G212-W312 PolarHBondContact N-O 3.01Å; G212-W312 PolarHBondContact O-N 3.15Å; T214-W312 HydrophobicContact CG2-CZ2 4.31Å; I229-W312 HydrophobicContact CB-CD2 4.49Å; I229-W312 HydrophobicContact CB-CG 4.34Å; I229-W312 HydrophobicContact CD1-CD2 4.17Å; I229-W312 HydrophobicContact CD1-CE3 4.39Å; I229-W312 HydrophobicContact CD1-CH2 4.04Å; I229-W312 HydrophobicContact CD1-CZ2 3.83Å; I229-W312 HydrophobicContact CD1-CZ3 4.3Å; I229-W312 HydrophobicContact CG1-CD2 4.04Å; I229-W312 HydrophobicContact CG1-CG 4.17Å; I229-W312 HydrophobicContact CG1-CZ2 4.3Å; I229-W312 HydrophobicContact CG2-CB 3.75Å; I229-W312 HydrophobicContact CG2-CD2 3.79Å; I229-W312 HydrophobicContact CG2-CE3 3.99Å; I229-W312 HydrophobicContact CG2-CG 3.71Å; Y233-W312 HydrophobicContact CE2-CB 4.18Å; Y233-W312 VanDerWaalsContact OH-C 3.27Å; Y233-W312 VanDerWaalsContact OH-CE3 3.31Å; T280-W312 WeakPolarHBondContact O-CA 3.32Å
313	G	98.4	Very high	97.9	Very high	9 Å²	9	26.6 Å²	26.6	9%	0.093	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	154.7	-179.1	0	0	0	0	0	117	Q210 Y233 T280	Q210-G313 WeakPolarHBondContact O-CA 3.4Å; Y233-G313 VanDerWaalsContact OH-C 3.24Å; Y233-G313 WeakPolarHBondContact OH-CA 3.49Å; Y233-G313 PolarHBondContact OH-N 2.84Å; T280-G313 PolarHBondContact N-O 3.15Å; T280-G313 PolarHBondContact O-N 2.99Å
314	L	98.3	Very high	98.1	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	161.3	164.8	79.1	147.6	0	0	0	110.9	W97 I100 F104 W209 Q210 Y233 V236 A279 T318	W97-L314 HydrophobicContact CZ3-CD1 4.4Å; I100-L314 HydrophobicContact CG2-CD1 3.79Å; F104-L314 HydrophobicContact CD1-CD2 4.41Å; F104-L314 HydrophobicContact CE1-CD2 4.39Å; W209-L314 VanDerWaalsContact CD1-O 3.24Å; Q210-L314 HydrophobicContact CB-CD2 3.72Å; Q210-L314 HydrophobicContact CB-CG 4.27Å; Q210-L314 HydrophobicContact CG-CD2 3.93Å; Q210-L314 PolarHBondContact N-O 2.72Å; Q210-L314 PolarHBondContact O-N 2.77Å; Y233-L314 HydrophobicContact CD1-CB 4.35Å; Y233-L314 HydrophobicContact CD1-CD2 3.82Å; Y233-L314 HydrophobicContact CE1-CB 4.1Å; Y233-L314 HydrophobicContact CE1-CD2 3.21Å; Y233-L314 HydrophobicContact CE1-CG 4.2Å; V236-L314 HydrophobicContact CG1-CD1 4.37Å; A279-L314 HydrophobicContact CB-CB 3.96Å; L314-T318 HydrophobicContact CD1-CG2 3.67Å
315	T	98.2	Very high	98.2	Very high	26 Å²	26	12.5 Å²	12.5	16%	0.16	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	179.2	-177.4	67.1	0	0	0	0	111.8	F207 L208 W209 R317 T318	F207-T315 HydrophobicContact CD2-CG2 3.72Å; F207-T315 HydrophobicContact CE2-CG2 3.6Å; L208-T315 WeakPolarHBondContact O-CA 3.36Å; L208-T315 WeakPolarHBondContact O-CB 3.16Å; W209-T315 HydrophobicContact CB-CG2 4.24Å; W209-T315 HydrophobicContact CG-CG2 3.96Å; T315-R317 PolarHBondContact O-N 2.84Å; T315-R317 WeakPolarHBondContact OG1-CB 3.26Å; T315-R317 PolarHBondContact OG1-N 3.28Å; T315-R317 VanDerWaalsContact OG1-N 3.17Å; T315-T318 PolarHBondContact O-N 2.61Å; T315-T318 VanDerWaalsContact O-N 3.13Å; T315-T318 PolarHBondContact O-OG1 2.8Å
316	T	97.9	Very high	98.3	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.018	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-2.4	168.7	51.6	0	0	0	0	113.9	I89 W97 L208 T318 I319	I89-T316 HydrophobicContact CD1-CG2 4.29Å; W97-T316 HydrophobicContact CD2-CG2 3.8Å; W97-T316 HydrophobicContact CE3-CG2 3.83Å; W97-T316 HydrophobicContact CG-CG2 4.23Å; W97-T316 HydrophobicContact CZ3-CG2 4.22Å; L208-T316 HydrophobicContact CB-CG2 3.74Å; L208-T316 HydrophobicContact CD1-CG2 4.21Å; L208-T316 HydrophobicContact CG-CG2 4.18Å; L208-T316 PolarHBondContact O-N 3.44Å; T316-T318 PolarHBondContact O-N 3.48Å; T316-I319 HydrophobicContact CG2-CD1 4.34Å; T316-I319 VanDerWaalsContact O-CB 3.31Å; T316-I319 WeakPolarHBondContact O-CB 3.36Å; T316-I319 PolarHBondContact O-N 2.95Å
317	R	97.2	Very high	98.3	Very high	53 Å²	53	8.7 Å²	8.7	20%	0.2	4%	0.043	C	C	.	.	H	α-helix	trans	-53	-33.6	164	179.8	174.4	-75.4	-161.8	-3.9	112.7	F201 L202 I276 Q277 T315 I319 S320 V321	F201-R317 WeakPolarHBondContact O-CA 3.38Å; F201-R317 PolarHBondContact O-N 2.87Å; L202-R317 PolarHBondContact O-NE 2.97Å; L202-R317 PolarHBondContact O-NH2 2.68Å; I276-R317 HydrophobicContact CD1-CG 4.32Å; Q277-R317 VanDerWaalsContact O-CD 3.3Å; Q277-R317 WeakPolarHBondContact O-CD 3.27Å; Q277-R317 PolarHBondContact O-NH1 2.79Å; T315-R317 PolarHBondContact O-N 2.84Å; T315-R317 WeakPolarHBondContact OG1-CB 3.26Å; T315-R317 PolarHBondContact OG1-N 3.28Å; T315-R317 VanDerWaalsContact OG1-N 3.17Å; R317-I319 PolarHBondContact O-N 3.34Å; R317-I319 VanDerWaalsContact O-N 3.11Å; R317-S320 WeakPolarHBondContact O-CB 3.3Å; R317-S320 PolarHBondContact O-N 3.19Å; R317-S320 PolarHBondContact O-OG 2.78Å; R317-V321 HydrophobicContact CG-CG2 4.11Å; R317-V321 WeakPolarHBondContact O-CG2 3.49Å; R317-V321 PolarHBondContact O-N 2.95Å
318	T	98.1	Very high	98.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-43.4	-44.1	169.6	43.4	0	0	0	0	112.8	I100 Y237 L241 L314 T315 T316 V321 F322	I100-T318 HydrophobicContact CD1-CG2 4.38Å; Y237-T318 HydrophobicContact CE1-CG2 4.24Å; Y237-T318 HydrophobicContact CE2-CG2 3.71Å; Y237-T318 VanDerWaalsContact CZ-CG2 3.49Å; Y237-T318 VanDerWaalsContact OH-CG2 3.3Å; Y237-T318 WeakPolarHBondContact OH-CG2 3.32Å; L241-T318 HydrophobicContact CD1-CG2 4.16Å; L314-T318 HydrophobicContact CD1-CG2 3.67Å; T315-T318 PolarHBondContact O-N 2.61Å; T315-T318 VanDerWaalsContact O-N 3.13Å; T315-T318 PolarHBondContact O-OG1 2.8Å; T316-T318 PolarHBondContact O-N 3.48Å; T318-V321 PolarHBondContact O-N 2.74Å; T318-F322 WeakPolarHBondContact O-CD1 3.19Å; T318-F322 PolarHBondContact O-N 3.04Å
319	I	98.5	Very high	98.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.7	-42.3	-179	-60.8	176.5	0	0	0	111.3	M77 A93 I96 W97 F201 T316 R317 F322 T323	M77-I319 HydrophobicContact CE-CG2 3.25Å; A93-I319 HydrophobicContact CB-CD1 4.4Å; I96-I319 HydrophobicContact CG2-CD1 4.45Å; I96-I319 HydrophobicContact CG2-CG1 4.05Å; W97-I319 HydrophobicContact CB-CD1 4.39Å; F201-I319 HydrophobicContact CD1-CB 4.4Å; F201-I319 HydrophobicContact CD2-CB 4.5Å; F201-I319 HydrophobicContact CD2-CG2 4.03Å; F201-I319 HydrophobicContact CE1-CD1 4.1Å; F201-I319 HydrophobicContact CE1-CG2 4.45Å; F201-I319 HydrophobicContact CE2-CG2 3.88Å; F201-I319 HydrophobicContact CG-CB 4.35Å; F201-I319 HydrophobicContact CG-CG2 4.37Å; F201-I319 HydrophobicContact CZ-CD1 4.42Å; F201-I319 HydrophobicContact CZ-CG2 4.09Å; T316-I319 HydrophobicContact CG2-CD1 4.34Å; T316-I319 VanDerWaalsContact O-CB 3.31Å; T316-I319 WeakPolarHBondContact O-CB 3.36Å; T316-I319 PolarHBondContact O-N 2.95Å; R317-I319 PolarHBondContact O-N 3.34Å; R317-I319 VanDerWaalsContact O-N 3.11Å; I319-F322 HydrophobicContact CB-CE1 4.19Å; I319-F322 HydrophobicContact CG1-CE1 4.45Å; I319-F322 HydrophobicContact CG2-CE1 3.98Å; I319-F322 HydrophobicContact CG2-CZ 4.39Å; I319-F322 WeakPolarHBondContact O-CD1 3.4Å; I319-F322 WeakPolarHBondContact O-CE1 3.38Å; I319-T323 VanDerWaalsContact O-CB 3.27Å; I319-T323 WeakPolarHBondContact O-CB 3.41Å; I319-T323 PolarHBondContact O-N 3.1Å; I319-T323 PolarHBondContact O-OG1 3.36Å
320	S	97.3	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.1	-42.3	175.2	66.7	0	0	0	0	112.4	Y68 L202 R317 T323 M324	Y68-S320 WeakPolarHBondContact OH-CA 3.31Å; Y68-S320 WeakPolarHBondContact OH-CB 3.44Å; L202-S320 WeakPolarHBondContact CD2-OG 3.46Å; R317-S320 WeakPolarHBondContact O-CB 3.3Å; R317-S320 PolarHBondContact O-N 3.19Å; R317-S320 PolarHBondContact O-OG 2.78Å; S320-T323 WeakPolarHBondContact O-CB 3.5Å; S320-T323 PolarHBondContact O-N 2.93Å; S320-M324 WeakPolarHBondContact O-CB 3.46Å; S320-M324 WeakPolarHBondContact O-CG 3.31Å; S320-M324 PolarHBondContact O-N 2.76Å
321	V	98.4	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.7	-55.1	-174.3	173.5	0	0	0	0	110.2	Y237 V243 I269 I276 R317 T318 T323 M324 I325	Y237-V321 HydrophobicContact CD1-CG1 4.22Å; Y237-V321 HydrophobicContact CE1-CB 3.93Å; Y237-V321 HydrophobicContact CE1-CG1 3.82Å; Y237-V321 HydrophobicContact CE1-CG2 4.13Å; V243-V321 HydrophobicContact CG1-CG1 3.92Å; V243-V321 HydrophobicContact CG2-CG1 4.46Å; I269-V321 HydrophobicContact CD1-CG1 4.35Å; I276-V321 HydrophobicContact CD1-CG2 3.83Å; I276-V321 HydrophobicContact CG1-CG2 4.27Å; I276-V321 HydrophobicContact CG2-CG2 4.21Å; R317-V321 HydrophobicContact CG-CG2 4.11Å; R317-V321 WeakPolarHBondContact O-CG2 3.49Å; R317-V321 PolarHBondContact O-N 2.95Å; T318-V321 PolarHBondContact O-N 2.74Å; V321-T323 VanDerWaalsContact C-N 3.27Å; V321-T323 PolarHBondContact O-N 3.3Å; V321-M324 PolarHBondContact O-N 2.86Å; V321-I325 HydrophobicContact CG1-CD1 3.75Å; V321-I325 WeakPolarHBondContact O-CG1 3.19Å; V321-I325 PolarHBondContact O-N 3.32Å
322	F	98.3	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.8	-33.7	179.8	90.1	-105.3	0	0	0	111.5	M77 I96 L241 V243 T318 I319 M324 I325 H326 L334 P335	M77-F322 HydrophobicContact CE-CZ 4.43Å; I96-F322 HydrophobicContact CD1-CE1 4.31Å; I96-F322 HydrophobicContact CD1-CZ 3.9Å; I96-F322 HydrophobicContact CG2-CE1 4.04Å; L241-F322 HydrophobicContact CB-CB 4.13Å; L241-F322 HydrophobicContact CD2-CD1 4.01Å; V243-F322 HydrophobicContact CG2-CB 3.81Å; T318-F322 WeakPolarHBondContact O-CD1 3.19Å; T318-F322 PolarHBondContact O-N 3.04Å; I319-F322 HydrophobicContact CB-CE1 4.19Å; I319-F322 HydrophobicContact CG1-CE1 4.45Å; I319-F322 HydrophobicContact CG2-CE1 3.98Å; I319-F322 HydrophobicContact CG2-CZ 4.39Å; I319-F322 WeakPolarHBondContact O-CD1 3.4Å; I319-F322 WeakPolarHBondContact O-CE1 3.38Å; F322-M324 PolarHBondContact O-N 2.82Å; F322-I325 PolarHBondContact O-N 2.83Å; F322-H326 WeakPolarHBondContact O-CB 3.35Å; F322-H326 PolarHBondContact O-N 3.43Å; F322-L334 HydrophobicContact CE2-CD2 3.75Å; F322-L334 HydrophobicContact CZ-CD2 3.85Å; F322-P335 HydrophobicContact CD2-CG 4.18Å; F322-P335 HydrophobicContact CG-CG 4.48Å
323	T	98.4	Very high	98.1	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-61.7	-44.8	177	-64.1	0	0	0	0	111	Y68 V71 I72 I319 S320 V321 G327 L332	Y68-T323 HydrophobicContact CD2-CG2 4.25Å; Y68-T323 HydrophobicContact CE2-CG2 3.81Å; V71-T323 HydrophobicContact CG1-CG2 3.98Å; I72-T323 HydrophobicContact CG2-CG2 4.14Å; I319-T323 VanDerWaalsContact O-CB 3.27Å; I319-T323 WeakPolarHBondContact O-CB 3.41Å; I319-T323 PolarHBondContact O-N 3.1Å; I319-T323 PolarHBondContact O-OG1 3.36Å; S320-T323 WeakPolarHBondContact O-CB 3.5Å; S320-T323 PolarHBondContact O-N 2.93Å; V321-T323 VanDerWaalsContact C-N 3.27Å; V321-T323 PolarHBondContact O-N 3.3Å; T323-G327 WeakPolarHBondContact O-CA 3.39Å; T323-G327 PolarHBondContact O-N 3.22Å; T323-L332 HydrophobicContact CG2-CD2 3.68Å
324	M	98.2	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-71.5	-30.9	-179.7	-66.6	-173.6	-62.3	0	0	112.8	K60 F64 Y68 L202 I269 I276 S320 V321 F322 Y533	K60-M324 WeakPolarHBondContact CE-O 3.46Å; K60-M324 PolarHBondContact NZ-O 3.05Å; F64-M324 HydrophobicContact CE1-CG 4.44Å; F64-M324 HydrophobicContact CE1-SD 3.94Å; F64-M324 HydrophobicContact CE2-CB 4.42Å; F64-M324 HydrophobicContact CE2-CG 4.35Å; F64-M324 HydrophobicContact CZ-CB 3.99Å; F64-M324 HydrophobicContact CZ-CG 3.55Å; F64-M324 HydrophobicContact CZ-SD 3.52Å; F64-M324 VanDerWaalsContact CZ-SD 3.52Å; Y68-M324 HydrophobicContact CD2-CG 3.7Å; Y68-M324 HydrophobicContact CE2-CG 3.6Å; Y68-M324 HydrophobicContact CE2-SD 4.44Å; L202-M324 HydrophobicContact CD1-CE 4.3Å; L202-M324 HydrophobicContact CD1-SD 3.82Å; L202-M324 HydrophobicContact CD2-CE 3.59Å; L202-M324 HydrophobicContact CD2-SD 4.22Å; L202-M324 HydrophobicContact CG-CE 4.42Å; I269-M324 HydrophobicContact CD1-CB 4.16Å; I269-M324 HydrophobicContact CD1-CE 3.6Å; I269-M324 HydrophobicContact CG1-CE 3.75Å; I269-M324 HydrophobicContact CG2-CB 3.92Å; I269-M324 HydrophobicContact CG2-CE 4.47Å; I269-M324 HydrophobicContact CG2-SD 4.28Å; I276-M324 HydrophobicContact CD1-CE 3.91Å; S320-M324 WeakPolarHBondContact O-CB 3.46Å; S320-M324 WeakPolarHBondContact O-CG 3.31Å; S320-M324 PolarHBondContact O-N 2.76Å; V321-M324 PolarHBondContact O-N 2.86Å; F322-M324 PolarHBondContact O-N 2.82Å; M324-Y533 HydrophobicContact SD-CE1 4.11Å
325	I	98.4	Very high	98.2	Very high	19 Å²	19	14.6 Å²	14.6	10%	0.097	7%	0.069	C	C	.	.	H	α-helix	trans	-77.3	-58.4	177.9	-68.1	171.7	0	0	0	110	K60 V243 I269 V321 F322 A442	K60-I325 PolarHBondContact NZ-O 2.92Å; V243-I325 HydrophobicContact CB-CD1 4.31Å; V243-I325 HydrophobicContact CG1-CD1 3.5Å; V243-I325 HydrophobicContact CG2-CD1 3.89Å; I269-I325 HydrophobicContact CD1-CD1 4.08Å; I269-I325 HydrophobicContact CD1-CG1 3.8Å; V321-I325 HydrophobicContact CG1-CD1 3.75Å; V321-I325 WeakPolarHBondContact O-CG1 3.19Å; V321-I325 PolarHBondContact O-N 3.32Å; F322-I325 PolarHBondContact O-N 2.83Å; I325-A442 HydrophobicContact CG2-CB 3.67Å
326	H	98.7	Very high	98.2	Very high	6 Å²	6	13.5 Å²	13.5	3%	0.028	6%	0.062	C	C	.	.	H	α-helix	trans	-84.6	-29	-169.8	-60.6	-45.6	0	0	0	114.7	L241 A242 F322 V333 L438	L241-H326 PolarHBondContact O-NE2 3.19Å; A242-H326 PolarHBondContact O-CE1 2.99Å; A242-H326 PolarHBondContact O-NE2 2.86Å; F322-H326 WeakPolarHBondContact O-CB 3.35Å; F322-H326 PolarHBondContact O-N 3.43Å; H326-V333 HydrophobicContact CB-CB 4.07Å; H326-V333 HydrophobicContact CB-CG1 4.38Å; H326-V333 WeakPolarHBondContact O-CB 3.41Å; H326-V333 WeakPolarHBondContact O-CG2 3.03Å; H326-L438 HydrophobicContact CB-CD2 4.29Å
327	G	98.2	Very high	98.2	Very high	4 Å²	4	18.6 Å²	18.6	4%	0.041	8%	0.081	C	C	.	.			trans	-62.1	147.8	-176.5	0	0	0	0	0	112.9	K60 T323 G331	K60-G327 PolarHBondContact NZ-O 2.63Å; T323-G327 WeakPolarHBondContact O-CA 3.39Å; T323-G327 PolarHBondContact O-N 3.22Å; G327-G331 WeakPolarHBondContact CA-O 3.05Å
328	D	97.8	Very high	98.3	Very high	44 Å²	44	16.1 Å²	16.1	24%	0.235	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-129.5	-170	-176.7	66.7	18	0	0	0	112.2	W67 R330 G331 R410	W67-D328 PolarHBondContact NE1-O 3.37Å; D328-R330 PolarHBondContact O-N 3.08Å; D328-R330 WeakPolarHBondContact OD1-CA 3.43Å; D328-R330 WeakPolarHBondContact OD1-CB 3.35Å; D328-R330 PolarHBondContact OD1-N 3.07Å; D328-G331 PolarHBondContact N-O 2.97Å; D328-G331 PolarHBondContact O-N 3.18Å; D328-G331 PolarHBondContact OD1-N 3.03Å; D328-G331 VanDerWaalsContact OD1-N 3.08Å; D328-R410 IonicContact OD1-CZ 3.58Å; D328-R410 IonicContact OD1-NH1 3.68Å; D328-R410 IonicContact OD1-NH2 3.32Å; D328-R410 PolarHBondContact OD1-NH2 2.71Å; D328-R410 IonicContact OD2-CZ 2.72Å; D328-R410 IonicContact OD2-NH1 2.68Å; D328-R410 PolarHBondContact OD2-NH1 3.11Å; D328-R410 IonicContact OD2-NH2 2.84Å; D328-R410 PolarHBondContact OD2-NH2 2.83Å
329	N	97.6	Very high	98.3	Very high	55 Å²	55	16.1 Å²	16.1	29%	0.294	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.4	-179.7	-68.3	-31.8	0	0	0	114.3	R59 K60 E61	R59-N329 VanDerWaalsContact CA-OD1 3.27Å; R59-N329 WeakPolarHBondContact CA-OD1 3.42Å; R59-N329 PolarHBondContact NE-ND2 2.74Å; K60-N329 WeakPolarHBondContact CB-OD1 3.38Å; K60-N329 PolarHBondContact N-OD1 2.9Å; E61-N329 PolarHBondContact OE2-ND2 3.11Å
330	R	97.2	Very high	98.3	Very high	91 Å²	91	20.1 Å²	20.1	34%	0.343	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-21	172.5	-64.4	166.1	73.8	179.2	19.2	112.2	D328 E385 L386 S413	D328-R330 PolarHBondContact O-N 3.08Å; D328-R330 WeakPolarHBondContact OD1-CA 3.43Å; D328-R330 WeakPolarHBondContact OD1-CB 3.35Å; D328-R330 PolarHBondContact OD1-N 3.07Å; R330-E385 IonicContact CZ-OE1 3.61Å; R330-E385 IonicContact CZ-OE2 3.97Å; R330-E385 VanDerWaalsContact CZ-OE2 3.27Å; R330-E385 IonicContact NE-OE2 2.75Å; R330-E385 PolarHBondContact NE-OE2 2.5Å; R330-E385 IonicContact NH2-OE1 3.84Å; R330-E385 PolarHBondContact NH2-OE1 2.98Å; R330-E385 IonicContact NH2-OE2 2.75Å; R330-E385 PolarHBondContact NH2-OE2 2.94Å; R330-L386 WeakPolarHBondContact O-CA 3.35Å; R330-S413 PolarHBondContact NH1-OG 3.33Å
331	G	98	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	143.6	-145.4	175.8	0	0	0	0	0	113.5	G327 D328	G327-G331 WeakPolarHBondContact CA-O 3.05Å; D328-G331 PolarHBondContact N-O 2.97Å; D328-G331 PolarHBondContact O-N 3.18Å; D328-G331 PolarHBondContact OD1-N 3.03Å; D328-G331 VanDerWaalsContact OD1-N 3.08Å
332	L	98.3	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.097	C	C	.	.			trans	-64.8	152.3	174	-69.7	-178.1	0	0	0	111.4	V71 S75 M77 T323 L334 L386 G388 R410	V71-L332 HydrophobicContact CG1-CD2 3.39Å; V71-L332 HydrophobicContact CG1-CG 3.9Å; S75-L332 VanDerWaalsContact OG-CD1 3.24Å; S75-L332 WeakPolarHBondContact OG-CD1 3.32Å; M77-L332 HydrophobicContact CG-CD1 3.67Å; M77-L332 HydrophobicContact SD-CD1 4.01Å; T323-L332 HydrophobicContact CG2-CD2 3.68Å; L332-L334 HydrophobicContact CD1-CD2 4.19Å; L332-L386 PolarHBondContact N-O 3.31Å; L332-G388 WeakPolarHBondContact O-CA 3.46Å; L332-R410 VanDerWaalsContact O-CZ 3.27Å; L332-R410 PolarHBondContact O-NE 3.49Å; L332-R410 VanDerWaalsContact O-NE 3.14Å; L332-R410 PolarHBondContact O-NH2 3.01Å
333	V	98.8	Very high	98.4	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	10%	0.097	C	C	.	.			trans	-130.3	106.1	163.1	179.3	0	0	0	0	105.8	H326 R410 D411 L438	H326-V333 HydrophobicContact CB-CB 4.07Å; H326-V333 HydrophobicContact CB-CG1 4.38Å; H326-V333 WeakPolarHBondContact O-CB 3.41Å; H326-V333 WeakPolarHBondContact O-CG2 3.03Å; V333-R410 HydrophobicContact CG2-CG 4.49Å; V333-D411 HydrophobicContact CG1-CB 3.95Å; V333-L438 HydrophobicContact CG1-CD1 4.47Å; V333-L438 HydrophobicContact CG1-CD2 3.69Å
334	L	98.8	Very high	98.4	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	10%	0.097	C	C	.	.			trans	-87.1	134	-176	-62.8	177.4	0	0	0	110.7	W92 I96 F322 L332 P336 A339 G388	W92-L334 HydrophobicContact CZ2-CD1 4.11Å; I96-L334 HydrophobicContact CD1-CD2 3.92Å; F322-L334 HydrophobicContact CE2-CD2 3.75Å; F322-L334 HydrophobicContact CZ-CD2 3.85Å; L332-L334 HydrophobicContact CD1-CD2 4.19Å; L334-P336 WeakPolarHBondContact O-CD 3.48Å; L334-A339 HydrophobicContact CB-CB 3.86Å; L334-A339 HydrophobicContact CD1-CB 3.98Å; L334-G388 VanDerWaalsContact CB-O 3.27Å; L334-G388 WeakPolarHBondContact CB-O 3.24Å; L334-G388 WeakPolarHBondContact CG-O 3.48Å; L334-G388 PolarHBondContact N-O 2.64Å
335	P	98.8	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.097	C	C	.	.			trans	-58.9	127	163.6	-21.1	32.5	0	0	0	109.9	L240 L241 A242 F322 R337 V338 A339 L438	L240-P335 WeakPolarHBondContact O-CB 3.33Å; L241-P335 WeakPolarHBondContact O-CG 3.1Å; A242-P335 HydrophobicContact CB-CB 4.45Å; F322-P335 HydrophobicContact CD2-CG 4.18Å; F322-P335 HydrophobicContact CG-CG 4.48Å; P335-R337 PolarHBondContact O-N 3.17Å; P335-V338 HydrophobicContact CB-CG2 4.11Å; P335-V338 HydrophobicContact CG-CG2 4.26Å; P335-V338 WeakPolarHBondContact O-CG2 3.48Å; P335-V338 PolarHBondContact O-N 2.97Å; P335-V338 VanDerWaalsContact O-N 3.09Å; P335-A339 PolarHBondContact O-N 3.21Å; P335-A339 VanDerWaalsContact O-N 3.16Å; P335-L438 HydrophobicContact CB-CD1 4.47Å
336	P	98.8	Very high	98.4	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.019	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-35.3	-177.5	-35.8	38.6	0	0	0	115.8	L334 V338 Q342 R366 P390 L431 M434 Q435	L334-P336 WeakPolarHBondContact O-CD 3.48Å; P336-V338 VanDerWaalsContact C-N 3.35Å; P336-V338 PolarHBondContact O-N 2.92Å; P336-Q342 WeakPolarHBondContact O-CG 3.42Å; P336-Q342 PolarHBondContact O-NE2 2.79Å; P336-R366 PolarHBondContact O-NH2 3.37Å; P336-P390 HydrophobicContact CB-CG 4.42Å; P336-P390 HydrophobicContact CG-CB 4.12Å; P336-P390 HydrophobicContact CG-CG 4.18Å; P336-L431 HydrophobicContact CB-CB 4.05Å; P336-L431 HydrophobicContact CB-CD2 3.93Å; P336-L431 HydrophobicContact CG-CD2 4.24Å; P336-L431 WeakPolarHBondContact CG-O 3.48Å; P336-M434 HydrophobicContact CG-CB 3.87Å; P336-Q435 VanDerWaalsContact CD-OE1 3.24Å; P336-Q435 HydrophobicContact CG-CB 4.47Å
337	R	98.7	Very high	98.1	Very high	110 Å²	110	21 Å²	21	42%	0.415	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-34.6	-177.5	-70.5	172.4	-177.1	-178.7	-0.1	113	E239 L240 P335 R366 Q435	E239-R337 WeakPolarHBondContact O-CD 3.3Å; E239-R337 PolarHBondContact O-NH1 3.23Å; L240-R337 HydrophobicContact CD2-CB 4.49Å; P335-R337 PolarHBondContact O-N 3.17Å; R337-R366 PolarHBondContact O-NH2 2.83Å; R337-Q435 HydrophobicContact CG-CG 4.4Å
338	V	98.7	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-4.7	-179.6	-60	0	0	0	0	114.4	F95 I96 Q99 L240 L241 P335 P336 K340	F95-V338 WeakPolarHBondContact CD1-O 3.35Å; I96-V338 HydrophobicContact CB-CB 4.5Å; I96-V338 HydrophobicContact CG1-CB 4.22Å; I96-V338 HydrophobicContact CG1-CG2 4.28Å; I96-V338 WeakPolarHBondContact CG1-O 3.43Å; I96-V338 HydrophobicContact CG2-CB 4.04Å; I96-V338 HydrophobicContact CG2-CG2 4.16Å; Q99-V338 HydrophobicContact CB-CB 4.46Å; Q99-V338 HydrophobicContact CB-CG1 4.17Å; L240-V338 HydrophobicContact CB-CG1 3.97Å; L241-V338 HydrophobicContact CD2-CB 4.5Å; L241-V338 HydrophobicContact CD2-CG1 3.84Å; L241-V338 HydrophobicContact CD2-CG2 4.03Å; P335-V338 HydrophobicContact CB-CG2 4.11Å; P335-V338 HydrophobicContact CG-CG2 4.26Å; P335-V338 WeakPolarHBondContact O-CG2 3.48Å; P335-V338 PolarHBondContact O-N 2.97Å; P335-V338 VanDerWaalsContact O-N 3.09Å; P336-V338 VanDerWaalsContact C-N 3.35Å; P336-V338 PolarHBondContact O-N 2.92Å; V338-K340 PolarHBondContact O-N 3.08Å
339	A	98.7	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.			trans	-67.9	123.6	-178.4	0	0	0	0	0	112.1	L334 P335 V341 Q342 R366 P390	L334-A339 HydrophobicContact CB-CB 3.86Å; L334-A339 HydrophobicContact CD1-CB 3.98Å; P335-A339 PolarHBondContact O-N 3.21Å; P335-A339 VanDerWaalsContact O-N 3.16Å; A339-V341 VanDerWaalsContact C-N 3.31Å; A339-V341 PolarHBondContact O-N 3.13Å; A339-Q342 HydrophobicContact CB-CG 4.36Å; A339-R366 PolarHBondContact O-NE 3.04Å; A339-R366 PolarHBondContact O-NH2 3.3Å; A339-P390 HydrophobicContact CB-CG 3.73Å
340	K	98.6	Very high	96.3	Very high	84 Å²	84	23.6 Å²	23.6	37%	0.365	13%	0.128	S	C	.	.	S	Bend	trans	-56.5	-45	176.4	-177.3	175.6	178.1	175.5	0	112.6	W92 F95 V338 R366	W92-K340 HydrophobicContact CE3-CB 4.19Å; W92-K340 HydrophobicContact CE3-CD 3.94Å; W92-K340 HydrophobicContact CH2-CB 4.46Å; W92-K340 HydrophobicContact CZ3-CB 4.1Å; W92-K340 HydrophobicContact CZ3-CD 4.07Å; W92-K340 HydrophobicContact CZ3-CG 4.33Å; F95-K340 HydrophobicContact CB-CB 4.04Å; F95-K340 HydrophobicContact CB-CD 4.1Å; F95-K340 HydrophobicContact CB-CG 4.18Å; F95-K340 HydrophobicContact CD1-CB 3.53Å; F95-K340 HydrophobicContact CD1-CG 4.12Å; F95-K340 HydrophobicContact CD2-CB 4.29Å; F95-K340 HydrophobicContact CD2-CD 4.43Å; F95-K340 HydrophobicContact CD2-CG 3.95Å; F95-K340 HydrophobicContact CE1-CB 4.06Å; F95-K340 HydrophobicContact CE2-CG 4.38Å; F95-K340 HydrophobicContact CG-CB 3.67Å; F95-K340 HydrophobicContact CG-CD 4.24Å; F95-K340 HydrophobicContact CG-CG 3.79Å; V338-K340 PolarHBondContact O-N 3.08Å; K340-R366 WeakPolarHBondContact O-CB 3.39Å; K340-R366 WeakPolarHBondContact O-CD 3.27Å
341	V	98.8	Very high	95.3	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.085	15%	0.148	C	C	.	.			trans	-114.4	118.5	169.7	177.1	0	0	0	0	106.1	W92 A339 V343 V344 T368 V389 P390	W92-V341 HydrophobicContact CH2-CB 3.88Å; W92-V341 HydrophobicContact CH2-CG2 3.78Å; W92-V341 HydrophobicContact CZ3-CG2 4.01Å; A339-V341 VanDerWaalsContact C-N 3.31Å; A339-V341 PolarHBondContact O-N 3.13Å; V341-V343 WeakPolarHBondContact CG1-O 3.45Å; V341-V344 HydrophobicContact CG1-CB 4.45Å; V341-T368 HydrophobicContact CG1-CG2 3.8Å; V341-T368 HydrophobicContact CG2-CG2 4.03Å; V341-V389 HydrophobicContact CB-CG2 4.02Å; V341-V389 HydrophobicContact CG1-CG1 3.96Å; V341-V389 HydrophobicContact CG1-CG2 4.09Å; V341-P390 WeakPolarHBondContact O-CD 3.33Å
342	Q	98.9	Very high	94.3	Very high	19 Å²	19	29.7 Å²	29.7	9%	0.089	18%	0.176	C	C	.	.	S	Bend	trans	-84.9	-38.9	174.9	-70.1	174.4	-49.6	0	0	110.8	P336 A339 V365 R366 P390 V391 L431	P336-Q342 WeakPolarHBondContact O-CG 3.42Å; P336-Q342 PolarHBondContact O-NE2 2.79Å; A339-Q342 HydrophobicContact CB-CG 4.36Å; Q342-V365 HydrophobicContact CB-CG1 4.41Å; Q342-R366 HydrophobicContact CB-CB 4.47Å; Q342-R366 HydrophobicContact CG-CB 4.21Å; Q342-R366 PolarHBondContact N-O 3.45Å; Q342-P390 WeakPolarHBondContact O-CD 3.25Å; Q342-V391 PolarHBondContact O-N 3.14Å; Q342-L431 HydrophobicContact CB-CD1 4.03Å; Q342-L431 HydrophobicContact CB-CD2 3.99Å; Q342-L431 HydrophobicContact CG-CD1 4.44Å
343	V	98.8	Very high	93.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.1	179.9	-173.9	0	0	0	0	110.3	V341 L360 V365 R366 C367 T368 V391 L393 V427	V341-V343 WeakPolarHBondContact CG1-O 3.45Å; V343-L360 HydrophobicContact CG1-CD1 4.19Å; V343-V365 HydrophobicContact CB-CG1 4.32Å; V343-V365 HydrophobicContact CG2-CG1 3.57Å; V343-R366 PolarHBondContact N-O 3.04Å; V343-C367 HydrophobicContact CB-CB 4.36Å; V343-C367 CarbonylContact O-C 3.57Å; V343-C367 VanDerWaalsContact O-CA 3.27Å; V343-C367 WeakPolarHBondContact O-CA 3.3Å; V343-T368 PolarHBondContact O-N 3.5Å; V343-V391 CarbonylContact C-O 3.4Å; V343-V391 VanDerWaalsContact CA-O 3.27Å; V343-V391 WeakPolarHBondContact CA-O 3.05Å; V343-V391 HydrophobicContact CG1-CG1 4.43Å; V343-V391 HydrophobicContact CG2-CB 4.16Å; V343-L393 HydrophobicContact CG1-CB 3.99Å; V343-L393 HydrophobicContact CG1-CD1 4.48Å; V343-V427 HydrophobicContact CG2-CG1 3.54Å; V343-V427 HydrophobicContact CG2-CG2 4.44Å
344	V	98.5	Very high	93	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.4	165.8	63.1	0	0	0	0	110.1	V341 I346 T368 D370 W384 V389 V391 R392 L393	V341-V344 HydrophobicContact CG1-CB 4.45Å; V344-I346 HydrophobicContact CG1-CD1 4.37Å; V344-I346 HydrophobicContact CG2-CD1 4.46Å; V344-I346 HydrophobicContact CG2-CG1 4.1Å; V344-T368 CarbonylContact C-O 3.51Å; V344-T368 WeakPolarHBondContact CA-O 3.42Å; V344-T368 HydrophobicContact CG2-CG2 4.31Å; V344-D370 HydrophobicContact CG2-CB 4.23Å; V344-W384 HydrophobicContact CB-CD2 4.21Å; V344-W384 HydrophobicContact CB-CG 4.29Å; V344-W384 HydrophobicContact CG1-CB 3.89Å; V344-W384 HydrophobicContact CG1-CD2 4.26Å; V344-W384 HydrophobicContact CG1-CG 3.84Å; V344-W384 HydrophobicContact CG2-CD2 3.86Å; V344-W384 HydrophobicContact CG2-CG 4Å; V344-W384 HydrophobicContact CG2-CZ2 4.01Å; V344-V389 HydrophobicContact CB-CG1 4.12Å; V344-V389 HydrophobicContact CG1-CB 4.42Å; V344-V389 HydrophobicContact CG1-CG1 3.91Å; V344-V391 PolarHBondContact N-O 2.54Å; V344-R392 HydrophobicContact CG1-CB 4.12Å; V344-R392 HydrophobicContact CG1-CG 4.24Å; V344-R392 CarbonylContact O-C 3.6Å; V344-R392 WeakPolarHBondContact O-CA 3.21Å; V344-L393 PolarHBondContact O-N 2.93Å
345	I	98	Very high	92.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.6	174.3	-56.2	163.5	0	0	0	109.3	C353 L356 E357 L360 C367 T368 D370 L393 V395	I345-C353 HydrophobicContact CG2-CB 3.59Å; I345-C353 VanDerWaalsContact CG2-SG 3.59Å; I345-L356 HydrophobicContact CD1-CB 4.08Å; I345-L356 HydrophobicContact CD1-CD2 4.18Å; I345-L356 HydrophobicContact CD1-CG 3.89Å; I345-E357 HydrophobicContact CD1-CB 3.95Å; I345-L360 HydrophobicContact CD1-CD1 4.27Å; I345-C367 WeakPolarHBondContact CD1-SG 3.27Å; I345-T368 PolarHBondContact N-O 2.78Å; I345-D370 PolarHBondContact O-N 2.58Å; I345-L393 CarbonylContact C-O 3.54Å; I345-L393 WeakPolarHBondContact CA-O 3.27Å; I345-L393 HydrophobicContact CG1-CB 4.14Å; I345-L393 HydrophobicContact CG1-CD1 4.38Å; I345-L393 HydrophobicContact CG1-CD2 4.45Å; I345-L393 HydrophobicContact CG2-CD2 4.09Å; I345-V395 HydrophobicContact CG2-CG2 3.64Å
346	I	96.6	Very high	92.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	105.5	-180	-57.7	-178.4	0	0	0	109.7	V344 C348 D370 P377 K380 F381 R392 L393 V395	V344-I346 HydrophobicContact CG1-CD1 4.37Å; V344-I346 HydrophobicContact CG2-CD1 4.46Å; V344-I346 HydrophobicContact CG2-CG1 4.1Å; I346-C348 PolarHBondContact O-N 2.97Å; I346-C348 PolarHBondContact O-SG 2.83Å; I346-D370 HydrophobicContact CG1-CB 4.37Å; I346-P377 HydrophobicContact CG2-CB 4.39Å; I346-K380 HydrophobicContact CD1-CB 3.83Å; I346-K380 HydrophobicContact CG2-CB 4.28Å; I346-K380 HydrophobicContact CG2-CD 3.91Å; I346-F381 HydrophobicContact CB-CE1 4Å; I346-F381 HydrophobicContact CD1-CD1 3.6Å; I346-F381 HydrophobicContact CD1-CE1 3.95Å; I346-F381 HydrophobicContact CG2-CD1 4.21Å; I346-F381 HydrophobicContact CG2-CE1 3.65Å; I346-R392 HydrophobicContact CD1-CG 3.95Å; I346-R392 HydrophobicContact CG1-CG 4.34Å; I346-L393 PolarHBondContact N-O 2.81Å; I346-V395 PolarHBondContact O-N 2.8Å
347	P	94.2	Very high	92.3	Very high	11 Å²	11	45.3 Å²	45.3	7%	0.071	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130.1	170.9	-24	34.8	0	0	0	111.7	I350 C353 L371	P347-I350 HydrophobicContact CB-CG1 3.86Å; P347-I350 VanDerWaalsContact CB-O 3.24Å; P347-I350 WeakPolarHBondContact CB-O 3.48Å; P347-C353 HydrophobicContact CG-CB 4.26Å; P347-L371 HydrophobicContact CG-CD2 3.84Å
348	C	90.4	Very high	92.2	Very high	34 Å²	34	45.8 Å²	45.8	23%	0.23	26%	0.259	C	S	.	.	S	Bend	trans	-117.3	86.7	-179.8	-67.1	0	0	0	0	109.6	I346 V395 P397	I346-C348 PolarHBondContact O-N 2.97Å; I346-C348 PolarHBondContact O-SG 2.83Å; C348-V395 PolarHBondContact N-O 3.1Å; C348-P397 WeakPolarHBondContact O-CD 3.39Å
349	G	84.9	Confident	92.1	Very high	78 Å²	78	48.7 Å²	48.7	80%	0.804	28%	0.278	S	S	*	.	S	Bend	trans	84.9	10.3	-178.7	0	0	0	0	0	115
350	I	79.9	Confident	92	Very high	45 Å²	45	48.7 Å²	48.7	23%	0.231	28%	0.278	C	S	.	.			trans	-127.1	165.6	170.8	68.2	178	0	0	0	109.9	P347 V395 P397	P347-I350 HydrophobicContact CB-CG1 3.86Å; P347-I350 VanDerWaalsContact CB-O 3.24Å; P347-I350 WeakPolarHBondContact CB-O 3.48Å; I350-V395 HydrophobicContact CD1-CB 4.02Å; I350-V395 HydrophobicContact CD1-CG1 3.44Å; I350-V395 VanDerWaalsContact CD1-CG1 3.44Å; I350-P397 HydrophobicContact CG2-CB 4.03Å; I350-P397 HydrophobicContact CG2-CG 4.49Å
351	T	74.9	Confident	92	Very high	126 Å²	126	47.3 Å²	47.3	77%	0.773	28%	0.278	S	S	*	.	S	Bend	trans	-104.7	-12.2	-171.2	49.9	0	0	0	0	115.3
352	T	77.3	Confident	92	Very high	94 Å²	94	52.3 Å²	52.3	58%	0.577	30%	0.304	S	S	*	.			trans	-137.1	143.5	-174.1	59.7	0	0	0	0	113.1
353	C	83.3	Confident	91.9	Very high	10 Å²	10	54.5 Å²	54.5	7%	0.068	32%	0.316	C	S	.	.			trans	-144.7	13.2	172.9	54.5	0	0	0	0	113.6	I345 P347 E355 L356 E357 C369	I345-C353 HydrophobicContact CG2-CB 3.59Å; I345-C353 VanDerWaalsContact CG2-SG 3.59Å; P347-C353 HydrophobicContact CG-CB 4.26Å; C353-E355 VanDerWaalsContact C-N 3.32Å; C353-E355 PolarHBondContact O-N 3.13Å; C353-L356 PolarHBondContact O-N 3.25Å; C353-L356 VanDerWaalsContact O-N 3.1Å; C353-E357 PolarHBondContact O-N 3.42Å; C353-C369 WeakPolarHBondContact CB-SG 3.43Å; C353-C369 PolarHBondContact O-SG 3.05Å; C353-C369 WeakPolarHBondContact SG-CB 3.44Å; C353-C369 CovalentContact SG-SG 2.06Å; C353-C369 PolarHBondContact SG-SG 3.28Å
354	N	86.8	Confident	91.8	Very high	88 Å²	88	59.8 Å²	59.8	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-36.9	-168.6	-62.6	-2.9	0	0	0	112.9	L356 E357 E358	N354-L356 VanDerWaalsContact C-N 3.27Å; N354-L356 PolarHBondContact O-N 3.22Å; N354-E357 PolarHBondContact O-N 2.95Å; N354-E358 WeakPolarHBondContact O-CB 3.37Å; N354-E358 PolarHBondContact O-N 2.83Å
355	E	91.4	Very high	91.8	Very high	167 Å²	167	60 Å²	60	78%	0.78	35%	0.354	S	S	*	.	H	α-helix	trans	-61.9	-36.4	178.3	-65.7	176.7	-179.3	0	0	112	C353 T359	C353-E355 VanDerWaalsContact C-N 3.32Å; C353-E355 PolarHBondContact O-N 3.13Å; E355-T359 VanDerWaalsContact O-CB 3.31Å; E355-T359 WeakPolarHBondContact O-CB 3.49Å; E355-T359 PolarHBondContact O-N 3.07Å; E355-T359 PolarHBondContact O-OG1 2.81Å
356	L	93.6	Very high	91.9	Very high	22 Å²	22	63.2 Å²	63.2	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-75.3	-38.7	178.8	-175.7	59.4	0	0	0	111.8	I345 C353 N354 T359 L360 L393 V395 V405 V423	I345-L356 HydrophobicContact CD1-CB 4.08Å; I345-L356 HydrophobicContact CD1-CD2 4.18Å; I345-L356 HydrophobicContact CD1-CG 3.89Å; C353-L356 PolarHBondContact O-N 3.25Å; C353-L356 VanDerWaalsContact O-N 3.1Å; N354-L356 VanDerWaalsContact C-N 3.27Å; N354-L356 PolarHBondContact O-N 3.22Å; L356-T359 PolarHBondContact O-N 3.5Å; L356-L360 HydrophobicContact CG-CD1 4.41Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 3.23Å; L356-L393 HydrophobicContact CD2-CD1 3.72Å; L356-L393 HydrophobicContact CD2-CD2 3.51Å; L356-L393 HydrophobicContact CD2-CG 4.29Å; L356-L393 HydrophobicContact CG-CD1 4.33Å; L356-V395 HydrophobicContact CD2-CG2 4.13Å; L356-V405 HydrophobicContact CD2-CG1 4.42Å; L356-V423 HydrophobicContact CD1-CB 4.44Å; L356-V423 HydrophobicContact CD1-CG1 3.57Å; L356-V423 HydrophobicContact CD1-CG2 4.24Å
357	E	96.4	Very high	92	Very high	49 Å²	49	63.9 Å²	63.9	23%	0.229	37%	0.371	C	S	.	.	H	α-helix	trans	-59.4	-49.3	171.7	-177.7	177.7	-166.6	0	0	110.7	I345 C353 N354 T359 L360 C361 T368 C369	I345-E357 HydrophobicContact CD1-CB 3.95Å; C353-E357 PolarHBondContact O-N 3.42Å; N354-E357 PolarHBondContact O-N 2.95Å; E357-T359 PolarHBondContact O-N 2.8Å; E357-L360 PolarHBondContact O-N 3.11Å; E357-C361 WeakPolarHBondContact O-CB 3.35Å; E357-C361 PolarHBondContact O-N 2.82Å; E357-C361 PolarHBondContact O-SG 3.2Å; E357-T368 VanDerWaalsContact OE1-CA 3.26Å; E357-T368 WeakPolarHBondContact OE1-CA 3.42Å; E357-C369 PolarHBondContact OE1-N 2.91Å; E357-C369 WeakPolarHBondContact OE2-CB 3.47Å
358	E	96.8	Very high	92.1	Very high	119 Å²	119	65.3 Å²	65.3	56%	0.556	38%	0.38	S	S	*	.	H	α-helix	trans	-60.3	-45.5	177.8	-177.2	176.1	-177.3	0	0	111.5	N354 L360 C361 N362	N354-E358 WeakPolarHBondContact O-CB 3.37Å; N354-E358 PolarHBondContact O-N 2.83Å; E358-L360 VanDerWaalsContact C-N 3.33Å; E358-L360 PolarHBondContact O-N 3.13Å; E358-C361 PolarHBondContact O-N 3.37Å; E358-N362 WeakPolarHBondContact CG-ND2 3.27Å; E358-N362 VanDerWaalsContact O-CB 3.31Å; E358-N362 WeakPolarHBondContact O-CB 3.42Å; E358-N362 VanDerWaalsContact O-CG 3.24Å; E358-N362 PolarHBondContact O-N 3.46Å; E358-N362 PolarHBondContact O-ND2 2.91Å
359	T	96.8	Very high	92.4	Very high	62 Å²	62	64.4 Å²	64.4	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-57.5	-44.6	177.5	-62.8	0	0	0	0	111.8	E355 L356 E357 N363 V424	E355-T359 VanDerWaalsContact O-CB 3.31Å; E355-T359 WeakPolarHBondContact O-CB 3.49Å; E355-T359 PolarHBondContact O-N 3.07Å; E355-T359 PolarHBondContact O-OG1 2.81Å; L356-T359 PolarHBondContact O-N 3.5Å; E357-T359 PolarHBondContact O-N 2.8Å; T359-N363 PolarHBondContact O-N 3.17Å; T359-N363 PolarHBondContact O-ND2 2.63Å; T359-V424 HydrophobicContact CG2-CG2 3.71Å
360	L	98	Very high	92.9	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-69.2	-45.7	177.9	-74.1	169.8	0	0	0	111.8	V343 I345 L356 E357 E358 N362 N363 V365 C367 L393 V424 V427	V343-L360 HydrophobicContact CG1-CD1 4.19Å; I345-L360 HydrophobicContact CD1-CD1 4.27Å; L356-L360 HydrophobicContact CG-CD1 4.41Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 3.23Å; E357-L360 PolarHBondContact O-N 3.11Å; E358-L360 VanDerWaalsContact C-N 3.33Å; E358-L360 PolarHBondContact O-N 3.13Å; L360-N362 PolarHBondContact O-N 2.89Å; L360-N363 CarbonylContact O-C 3.54Å; L360-N363 WeakPolarHBondContact O-CA 3.35Å; L360-N363 PolarHBondContact O-N 2.76Å; L360-V365 HydrophobicContact CB-CB 4.15Å; L360-V365 HydrophobicContact CB-CG1 4.41Å; L360-V365 HydrophobicContact CD2-CB 4.44Å; L360-V365 HydrophobicContact CD2-CG1 4.48Å; L360-V365 HydrophobicContact CD2-CG2 4.35Å; L360-V365 WeakPolarHBondContact O-CB 3.48Å; L360-V365 PolarHBondContact O-N 3.26Å; L360-V365 VanDerWaalsContact O-N 3.08Å; L360-C367 HydrophobicContact CB-CB 3.86Å; L360-C367 HydrophobicContact CD1-CB 4.25Å; L360-L393 HydrophobicContact CD1-CD1 4.22Å; L360-V424 HydrophobicContact CD2-CG2 4.24Å; L360-V427 HydrophobicContact CD2-CB 4.19Å; L360-V427 HydrophobicContact CD2-CG1 4.21Å; L360-V427 HydrophobicContact CD2-CG2 4.12Å
361	C	98	Very high	93.6	Very high	55 Å²	55	62.8 Å²	62.8	37%	0.372	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-44	179.3	-74.8	0	0	0	0	112.4	E357 E358 N363 S364 V365	E357-C361 WeakPolarHBondContact O-CB 3.35Å; E357-C361 PolarHBondContact O-N 2.82Å; E357-C361 PolarHBondContact O-SG 3.2Å; E358-C361 PolarHBondContact O-N 3.37Å; C361-N363 PolarHBondContact O-N 2.88Å; C361-N363 VanDerWaalsContact O-N 3.13Å; C361-S364 PolarHBondContact O-N 3.32Å; C361-V365 WeakPolarHBondContact CA-O 3.47Å
362	N	98	Very high	94.5	Very high	119 Å²	119	60.6 Å²	60.6	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-62.2	-19.8	175.4	-73	-16.2	0	0	0	112.6	E358 L360	E358-N362 WeakPolarHBondContact CG-ND2 3.27Å; E358-N362 VanDerWaalsContact O-CB 3.31Å; E358-N362 WeakPolarHBondContact O-CB 3.42Å; E358-N362 VanDerWaalsContact O-CG 3.24Å; E358-N362 PolarHBondContact O-N 3.46Å; E358-N362 PolarHBondContact O-ND2 2.91Å; L360-N362 PolarHBondContact O-N 2.89Å
363	N	97.9	Very high	95.1	Very high	64 Å²	64	63.4 Å²	63.4	34%	0.342	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	23.1	176.8	-79.1	-80.9	0	0	0	113.7	T359 L360 C361 V365 V424 K428	T359-N363 PolarHBondContact O-N 3.17Å; T359-N363 PolarHBondContact O-ND2 2.63Å; L360-N363 CarbonylContact O-C 3.54Å; L360-N363 WeakPolarHBondContact O-CA 3.35Å; L360-N363 PolarHBondContact O-N 2.76Å; C361-N363 PolarHBondContact O-N 2.88Å; C361-N363 VanDerWaalsContact O-N 3.13Å; N363-V365 VanDerWaalsContact C-N 3.27Å; N363-V365 PolarHBondContact O-N 3.41Å; N363-V424 HydrophobicContact CB-CG1 3.48Å; N363-V424 VanDerWaalsContact CB-CG1 3.48Å; N363-V424 HydrophobicContact CB-CG2 4.36Å; N363-K428 WeakPolarHBondContact O-CE 3.26Å; N363-K428 PolarHBondContact O-NZ 3.42Å; N363-K428 VanDerWaalsContact O-NZ 3.11Å
364	S	97	Very high	95.6	Very high	111 Å²	111	67.8 Å²	67.8	78%	0.776	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	24.3	177.3	-55.4	0	0	0	0	114.9	C361	C361-S364 PolarHBondContact O-N 3.32Å
365	V	98.5	Very high	95.8	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.03	35%	0.352	C	S	.	.			trans	-96.2	126.9	169.9	178.4	0	0	0	0	109	Q342 V343 L360 C361 N363 C367 V427 K428 L431	Q342-V365 HydrophobicContact CB-CG1 4.41Å; V343-V365 HydrophobicContact CB-CG1 4.32Å; V343-V365 HydrophobicContact CG2-CG1 3.57Å; L360-V365 HydrophobicContact CB-CB 4.15Å; L360-V365 HydrophobicContact CB-CG1 4.41Å; L360-V365 HydrophobicContact CD2-CB 4.44Å; L360-V365 HydrophobicContact CD2-CG1 4.48Å; L360-V365 HydrophobicContact CD2-CG2 4.35Å; L360-V365 WeakPolarHBondContact O-CB 3.48Å; L360-V365 PolarHBondContact O-N 3.26Å; L360-V365 VanDerWaalsContact O-N 3.08Å; C361-V365 WeakPolarHBondContact CA-O 3.47Å; N363-V365 VanDerWaalsContact C-N 3.27Å; N363-V365 PolarHBondContact O-N 3.41Å; V365-C367 PolarHBondContact O-N 2.86Å; V365-V427 HydrophobicContact CG1-CG1 3.93Å; V365-V427 HydrophobicContact CG2-CG1 4.1Å; V365-K428 HydrophobicContact CG2-CG 4.27Å; V365-L431 HydrophobicContact CG1-CD1 4.38Å
366	R	98.5	Very high	95.9	Very high	69 Å²	69	63.1 Å²	63.1	26%	0.26	34%	0.339	S	S	.	.			trans	-75.8	92.4	175.5	-63.5	-175.2	-65.4	-90.5	5.4	110	P336 R337 A339 K340 Q342 V343	P336-R366 PolarHBondContact O-NH2 3.37Å; R337-R366 PolarHBondContact O-NH2 2.83Å; A339-R366 PolarHBondContact O-NE 3.04Å; A339-R366 PolarHBondContact O-NH2 3.3Å; K340-R366 WeakPolarHBondContact O-CB 3.39Å; K340-R366 WeakPolarHBondContact O-CD 3.27Å; Q342-R366 HydrophobicContact CB-CB 4.47Å; Q342-R366 HydrophobicContact CG-CB 4.21Å; Q342-R366 PolarHBondContact N-O 3.45Å; V343-R366 PolarHBondContact N-O 3.04Å
367	C	98.5	Very high	95.9	Very high	13 Å²	13	64.4 Å²	64.4	9%	0.088	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	155	-174.3	-171.6	0	0	0	0	112	V343 I345 L360 V365	V343-C367 HydrophobicContact CB-CB 4.36Å; V343-C367 CarbonylContact O-C 3.57Å; V343-C367 VanDerWaalsContact O-CA 3.27Å; V343-C367 WeakPolarHBondContact O-CA 3.3Å; I345-C367 WeakPolarHBondContact CD1-SG 3.27Å; L360-C367 HydrophobicContact CB-CB 3.86Å; L360-C367 HydrophobicContact CD1-CB 4.25Å; V365-C367 PolarHBondContact O-N 2.86Å
368	T	97.4	Very high	95.8	Very high	41 Å²	41	64 Å²	64	25%	0.252	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	148.1	164.6	-162.7	0	0	0	0	113.1	V341 V343 V344 I345 E357 W384	V341-T368 HydrophobicContact CG1-CG2 3.8Å; V341-T368 HydrophobicContact CG2-CG2 4.03Å; V343-T368 PolarHBondContact O-N 3.5Å; V344-T368 CarbonylContact C-O 3.51Å; V344-T368 WeakPolarHBondContact CA-O 3.42Å; V344-T368 HydrophobicContact CG2-CG2 4.31Å; I345-T368 PolarHBondContact N-O 2.78Å; E357-T368 VanDerWaalsContact OE1-CA 3.26Å; E357-T368 WeakPolarHBondContact OE1-CA 3.42Å; T368-W384 HydrophobicContact CG2-CH2 4.08Å; T368-W384 HydrophobicContact CG2-CZ2 4.39Å
369	C	97	Very high	95.8	Very high	16 Å²	16	60.6 Å²	60.6	11%	0.108	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.9	170.7	-85.9	0	0	0	0	112.1	C353 E357 L371	C353-C369 WeakPolarHBondContact CB-SG 3.43Å; C353-C369 PolarHBondContact O-SG 3.05Å; C353-C369 WeakPolarHBondContact SG-CB 3.44Å; C353-C369 CovalentContact SG-SG 2.06Å; C353-C369 PolarHBondContact SG-SG 3.28Å; E357-C369 PolarHBondContact OE1-N 2.91Å; E357-C369 WeakPolarHBondContact OE2-CB 3.47Å; C369-L371 HydrophobicContact CB-CD2 4.01Å; C369-L371 HydrophobicContact CB-CG 3.98Å; C369-L371 PolarHBondContact O-N 3.06Å
370	D	96	Very high	95.8	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.032	32%	0.324	C	S	.	.			trans	-91.2	85	170.6	-171	-10.2	0	0	0	111.7	V344 I345 I346 R372 K380 W384	V344-D370 HydrophobicContact CG2-CB 4.23Å; I345-D370 PolarHBondContact O-N 2.58Å; I346-D370 HydrophobicContact CG1-CB 4.37Å; D370-R372 VanDerWaalsContact C-N 3.34Å; D370-R372 PolarHBondContact O-N 2.8Å; D370-R372 WeakPolarHBondContact OD1-CB 3.4Å; D370-R372 WeakPolarHBondContact OD1-CG 3.46Å; D370-R372 IonicContact OD1-CZ 3.19Å; D370-R372 PolarHBondContact OD1-N 2.99Å; D370-R372 IonicContact OD1-NE 3.81Å; D370-R372 PolarHBondContact OD1-NE 3.11Å; D370-R372 IonicContact OD1-NH2 3.27Å; D370-R372 IonicContact OD2-CZ 3.07Å; D370-R372 IonicContact OD2-NE 3.4Å; D370-R372 IonicContact OD2-NH2 3.58Å; D370-R372 PolarHBondContact OD2-NH2 3.31Å; D370-K380 HydrophobicContact CB-CD 4.24Å; D370-K380 PolarHBondContact O-NZ 3.12Å; D370-K380 WeakPolarHBondContact OD2-CG 3.34Å; D370-W384 HydrophobicContact CB-CZ2 4.38Å; D370-W384 PolarHBondContact OD2-NE1 2.73Å
371	L	94	Very high	95.7	Very high	83 Å²	83	60.1 Å²	60.1	44%	0.435	33%	0.332	S	S	.	.			trans	-87.3	7.5	-177.7	-56.6	-177.2	0	0	0	114.4	P347 C369 D373	P347-L371 HydrophobicContact CG-CD2 3.84Å; C369-L371 HydrophobicContact CB-CD2 4.01Å; C369-L371 HydrophobicContact CB-CG 3.98Å; C369-L371 PolarHBondContact O-N 3.06Å; L371-D373 PolarHBondContact O-N 2.92Å; L371-D373 VanDerWaalsContact O-N 3.09Å
372	R	93.9	Very high	95.7	Very high	79 Å²	79	60.3 Å²	60.3	30%	0.298	33%	0.334	S	S	.	.			trans	-61.2	114.7	179.6	-65.9	176	-67.4	178.6	0.2	110.3	D370 Y375 K380 H383	D370-R372 VanDerWaalsContact C-N 3.34Å; D370-R372 PolarHBondContact O-N 2.8Å; D370-R372 WeakPolarHBondContact OD1-CB 3.4Å; D370-R372 WeakPolarHBondContact OD1-CG 3.46Å; D370-R372 IonicContact OD1-CZ 3.19Å; D370-R372 PolarHBondContact OD1-N 2.99Å; D370-R372 IonicContact OD1-NE 3.81Å; D370-R372 PolarHBondContact OD1-NE 3.11Å; D370-R372 IonicContact OD1-NH2 3.27Å; D370-R372 IonicContact OD2-CZ 3.07Å; D370-R372 IonicContact OD2-NE 3.4Å; D370-R372 IonicContact OD2-NH2 3.58Å; D370-R372 PolarHBondContact OD2-NH2 3.31Å; R372-Y375 HydrophobicContact CB-CD2 4.03Å; R372-K380 WeakPolarHBondContact O-CE 3.34Å; R372-K380 PolarHBondContact O-NZ 2.81Å; R372-H383 PolarHBondContact NH2-CE1 2.95Å; R372-H383 PolarHBondContact NH2-ND1 3.13Å
373	D	90.2	Very high	95.7	Very high	154 Å²	154	55.8 Å²	55.8	82%	0.824	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-20.9	-175.8	60.5	-6.4	0	0	0	113.1	L371 Y375	L371-D373 PolarHBondContact O-N 2.92Å; L371-D373 VanDerWaalsContact O-N 3.09Å; D373-Y375 PolarHBondContact O-N 2.73Å
374	N	92.1	Very high	95.7	Very high	102 Å²	102	54.1 Å²	54.1	55%	0.545	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-0.3	179	73.7	-62.2	0	0	0	114.4
375	Y	92.3	Very high	95.8	Very high	84 Å²	84	50 Å²	50	33%	0.329	27%	0.267	S	S	.	.	S	Bend	trans	-127.2	137.6	178.9	-65.4	-63.4	0	0	0	112	R372 D373 W379 K380	R372-Y375 HydrophobicContact CB-CD2 4.03Å; D373-Y375 PolarHBondContact O-N 2.73Å; Y375-W379 AromaticContact CD1-CD2 3.43Å; Y375-W379 HydrophobicContact CD1-CD2 3.43Å; Y375-W379 VanDerWaalsContact CD1-CD2 3.43Å; Y375-W379 AromaticContact CD1-CE2 3.64Å; Y375-W379 AromaticContact CD1-CE3 3.56Å; Y375-W379 HydrophobicContact CD1-CE3 3.56Å; Y375-W379 AromaticContact CD1-CG 3.95Å; Y375-W379 HydrophobicContact CD1-CG 3.95Å; Y375-W379 HydrophobicContact CD1-CH2 4.11Å; Y375-W379 AromaticContact CD1-CZ2 3.99Å; Y375-W379 HydrophobicContact CD1-CZ2 3.99Å; Y375-W379 AromaticContact CD1-CZ3 3.9Å; Y375-W379 HydrophobicContact CD1-CZ3 3.9Å; Y375-W379 AromaticContact CD2-CE3 3.96Å; Y375-W379 HydrophobicContact CD2-CE3 3.96Å; Y375-W379 HydrophobicContact CD2-CH2 4.19Å; Y375-W379 AromaticContact CD2-CZ3 3.7Å; Y375-W379 HydrophobicContact CD2-CZ3 3.7Å; Y375-W379 AromaticContact CE1-CD2 3.98Å; Y375-W379 HydrophobicContact CE1-CD2 3.98Å; Y375-W379 AromaticContact CE1-CE2 3.66Å; Y375-W379 HydrophobicContact CE1-CE3 4.17Å; Y375-W379 AromaticContact CE1-CH2 3.88Å; Y375-W379 HydrophobicContact CE1-CH2 3.88Å; Y375-W379 AromaticContact CE1-CZ2 3.63Å; Y375-W379 HydrophobicContact CE1-CZ2 3.63Å; Y375-W379 HydrophobicContact CE1-CZ3 4.13Å; Y375-W379 AromaticContact CE2-CH2 3.94Å; Y375-W379 HydrophobicContact CE2-CH2 3.94Å; Y375-W379 AromaticContact CE2-CZ3 3.93Å; Y375-W379 HydrophobicContact CE2-CZ3 3.93Å; Y375-W379 AromaticContact CG-CD2 3.83Å; Y375-W379 HydrophobicContact CG-CD2 3.83Å; Y375-W379 AromaticContact CG-CE3 3.44Å; Y375-W379 HydrophobicContact CG-CE3 3.44Å; Y375-W379 VanDerWaalsContact CG-CE3 3.44Å; Y375-W379 HydrophobicContact CG-CH2 4.27Å; Y375-W379 AromaticContact CG-CZ3 3.68Å; Y375-W379 HydrophobicContact CG-CZ3 3.68Å; Y375-W379 AromaticContact CZ-CH2 3.78Å; Y375-W379 AromaticContact CZ-CZ2 3.92Å; Y375-K380 WeakPolarHBondContact O-CE 3.43Å
376	S	93.6	Very high	95.7	Very high	73 Å²	73	50 Å²	50	51%	0.51	27%	0.266	S	S	.	.			trans	-68	154.8	174.2	67.5	0	0	0	0	111.7	G378 W379 K380	S376-G378 VanDerWaalsContact C-N 3.27Å; S376-G378 PolarHBondContact O-N 3Å; S376-W379 WeakPolarHBondContact O-CB 3.38Å; S376-W379 PolarHBondContact O-N 3.08Å; S376-W379 PolarHBondContact OG-N 2.89Å; S376-K380 WeakPolarHBondContact O-CG 3.45Å; S376-K380 PolarHBondContact O-N 3.16Å; S376-K380 VanDerWaalsContact O-N 3.07Å
377	P	93.9	Very high	95.7	Very high	48 Å²	48	47.2 Å²	47.2	31%	0.312	26%	0.256	S	S	.	.	H	α-helix	trans	-52.1	-44.7	174	-28.7	35.8	0	0	0	112.9	I346 W379 K380 F381	I346-P377 HydrophobicContact CG2-CB 4.39Å; P377-W379 VanDerWaalsContact C-N 3.32Å; P377-W379 PolarHBondContact O-N 3.39Å; P377-K380 WeakPolarHBondContact O-CB 3.4Å; P377-K380 PolarHBondContact O-N 3.36Å; P377-K380 VanDerWaalsContact O-N 3.08Å; P377-F381 HydrophobicContact CB-CE1 4.18Å; P377-F381 HydrophobicContact CB-CZ 4.11Å; P377-F381 WeakPolarHBondContact O-CD1 3.4Å; P377-F381 WeakPolarHBondContact O-CG 3.38Å; P377-F381 PolarHBondContact O-N 2.8Å
378	G	94.2	Very high	95.7	Very high	40 Å²	40	46.6 Å²	46.6	41%	0.412	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-37.7	177.4	0	0	0	0	0	113.8	S376 F381 S382	S376-G378 VanDerWaalsContact C-N 3.27Å; S376-G378 PolarHBondContact O-N 3Å; G378-F381 WeakPolarHBondContact O-CB 3.44Å; G378-F381 PolarHBondContact O-N 3.39Å; G378-S382 PolarHBondContact O-N 3.26Å; G378-S382 PolarHBondContact O-OG 2.84Å
379	W	95.9	Very high	95.8	Very high	48 Å²	48	44.9 Å²	44.9	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-43.4	173.7	-174.5	98.9	0	0	0	111.5	L54 Y375 S376 P377 F381 S382 H383	L54-W379 HydrophobicContact CD1-CZ2 4.12Å; L54-W379 HydrophobicContact CD2-CD2 4.19Å; L54-W379 HydrophobicContact CD2-CG 4.42Å; L54-W379 HydrophobicContact CD2-CZ2 4.19Å; Y375-W379 AromaticContact CD1-CD2 3.43Å; Y375-W379 HydrophobicContact CD1-CD2 3.43Å; Y375-W379 VanDerWaalsContact CD1-CD2 3.43Å; Y375-W379 AromaticContact CD1-CE2 3.64Å; Y375-W379 AromaticContact CD1-CE3 3.56Å; Y375-W379 HydrophobicContact CD1-CE3 3.56Å; Y375-W379 AromaticContact CD1-CG 3.95Å; Y375-W379 HydrophobicContact CD1-CG 3.95Å; Y375-W379 HydrophobicContact CD1-CH2 4.11Å; Y375-W379 AromaticContact CD1-CZ2 3.99Å; Y375-W379 HydrophobicContact CD1-CZ2 3.99Å; Y375-W379 AromaticContact CD1-CZ3 3.9Å; Y375-W379 HydrophobicContact CD1-CZ3 3.9Å; Y375-W379 AromaticContact CD2-CE3 3.96Å; Y375-W379 HydrophobicContact CD2-CE3 3.96Å; Y375-W379 HydrophobicContact CD2-CH2 4.19Å; Y375-W379 AromaticContact CD2-CZ3 3.7Å; Y375-W379 HydrophobicContact CD2-CZ3 3.7Å; Y375-W379 AromaticContact CE1-CD2 3.98Å; Y375-W379 HydrophobicContact CE1-CD2 3.98Å; Y375-W379 AromaticContact CE1-CE2 3.66Å; Y375-W379 HydrophobicContact CE1-CE3 4.17Å; Y375-W379 AromaticContact CE1-CH2 3.88Å; Y375-W379 HydrophobicContact CE1-CH2 3.88Å; Y375-W379 AromaticContact CE1-CZ2 3.63Å; Y375-W379 HydrophobicContact CE1-CZ2 3.63Å; Y375-W379 HydrophobicContact CE1-CZ3 4.13Å; Y375-W379 AromaticContact CE2-CH2 3.94Å; Y375-W379 HydrophobicContact CE2-CH2 3.94Å; Y375-W379 AromaticContact CE2-CZ3 3.93Å; Y375-W379 HydrophobicContact CE2-CZ3 3.93Å; Y375-W379 AromaticContact CG-CD2 3.83Å; Y375-W379 HydrophobicContact CG-CD2 3.83Å; Y375-W379 AromaticContact CG-CE3 3.44Å; Y375-W379 HydrophobicContact CG-CE3 3.44Å; Y375-W379 VanDerWaalsContact CG-CE3 3.44Å; Y375-W379 HydrophobicContact CG-CH2 4.27Å; Y375-W379 AromaticContact CG-CZ3 3.68Å; Y375-W379 HydrophobicContact CG-CZ3 3.68Å; Y375-W379 AromaticContact CZ-CH2 3.78Å; Y375-W379 AromaticContact CZ-CZ2 3.92Å; S376-W379 WeakPolarHBondContact O-CB 3.38Å; S376-W379 PolarHBondContact O-N 3.08Å; S376-W379 PolarHBondContact OG-N 2.89Å; P377-W379 VanDerWaalsContact C-N 3.32Å; P377-W379 PolarHBondContact O-N 3.39Å; W379-F381 VanDerWaalsContact C-N 3.29Å; W379-F381 PolarHBondContact O-N 2.79Å; W379-S382 PolarHBondContact O-N 3.39Å; W379-H383 HydrophobicContact CE3-CB 4Å; W379-H383 HydrophobicContact CH2-CB 3.99Å; W379-H383 AromaticContact CH2-CD2 3.66Å; W379-H383 AromaticContact CH2-CG 3.92Å; W379-H383 HydrophobicContact CZ3-CB 3.64Å; W379-H383 AromaticContact CZ3-CD2 3.98Å; W379-H383 AromaticContact CZ3-CG 3.76Å; W379-H383 WeakPolarHBondContact O-CB 3.37Å; W379-H383 PolarHBondContact O-N 3.39Å
380	K	96.6	Very high	95.9	Very high	13 Å²	13	44.2 Å²	44.2	6%	0.057	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-39.8	177.4	-62.1	174.4	178.1	-178.3	0	110.9	I346 D370 R372 Y375 S376 P377 H383 W384	I346-K380 HydrophobicContact CD1-CB 3.83Å; I346-K380 HydrophobicContact CG2-CB 4.28Å; I346-K380 HydrophobicContact CG2-CD 3.91Å; D370-K380 HydrophobicContact CB-CD 4.24Å; D370-K380 PolarHBondContact O-NZ 3.12Å; D370-K380 WeakPolarHBondContact OD2-CG 3.34Å; R372-K380 WeakPolarHBondContact O-CE 3.34Å; R372-K380 PolarHBondContact O-NZ 2.81Å; Y375-K380 WeakPolarHBondContact O-CE 3.43Å; S376-K380 WeakPolarHBondContact O-CG 3.45Å; S376-K380 PolarHBondContact O-N 3.16Å; S376-K380 VanDerWaalsContact O-N 3.07Å; P377-K380 WeakPolarHBondContact O-CB 3.4Å; P377-K380 PolarHBondContact O-N 3.36Å; P377-K380 VanDerWaalsContact O-N 3.08Å; K380-H383 PolarHBondContact O-N 3.33Å; K380-W384 PolarHBondContact O-N 3.31Å
381	F	97	Very high	96	Very high	39 Å²	39	43.9 Å²	43.9	17%	0.171	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-55.1	176.2	-62.2	-5.6	0	0	0	110.6	I346 P377 G378 W379 H383 W384 E385 E394	I346-F381 HydrophobicContact CB-CE1 4Å; I346-F381 HydrophobicContact CD1-CD1 3.6Å; I346-F381 HydrophobicContact CD1-CE1 3.95Å; I346-F381 HydrophobicContact CG2-CD1 4.21Å; I346-F381 HydrophobicContact CG2-CE1 3.65Å; P377-F381 HydrophobicContact CB-CE1 4.18Å; P377-F381 HydrophobicContact CB-CZ 4.11Å; P377-F381 WeakPolarHBondContact O-CD1 3.4Å; P377-F381 WeakPolarHBondContact O-CG 3.38Å; P377-F381 PolarHBondContact O-N 2.8Å; G378-F381 WeakPolarHBondContact O-CB 3.44Å; G378-F381 PolarHBondContact O-N 3.39Å; W379-F381 VanDerWaalsContact C-N 3.29Å; W379-F381 PolarHBondContact O-N 2.79Å; F381-H383 VanDerWaalsContact C-N 3.27Å; F381-H383 PolarHBondContact O-N 2.83Å; F381-W384 PolarHBondContact O-N 3.2Å; F381-E385 WeakPolarHBondContact O-CB 3.26Å; F381-E385 WeakPolarHBondContact O-CG 3.4Å; F381-E385 PolarHBondContact O-N 3.37Å; F381-E394 HydrophobicContact CE1-CG 4.19Å; F381-E394 HydrophobicContact CZ-CG 3.99Å
382	S	97.3	Very high	96.2	Very high	59 Å²	59	41.1 Å²	41.1	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-60.7	-35.9	178	-59.4	0	0	0	0	112.9	G378 W379 L386	G378-S382 PolarHBondContact O-N 3.26Å; G378-S382 PolarHBondContact O-OG 2.84Å; W379-S382 PolarHBondContact O-N 3.39Å; S382-L386 WeakPolarHBondContact O-CB 3.36Å; S382-L386 PolarHBondContact O-N 3.06Å
383	H	97.9	Very high	96.4	Very high	25 Å²	25	37.4 Å²	37.4	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-47.4	179.1	170.1	-94.9	0	0	0	111.5	L54 R372 W379 K380 F381 L386 K387	L54-H383 HydrophobicContact CD1-CB 4.17Å; L54-H383 HydrophobicContact CD2-CB 4Å; R372-H383 PolarHBondContact NH2-CE1 2.95Å; R372-H383 PolarHBondContact NH2-ND1 3.13Å; W379-H383 HydrophobicContact CE3-CB 4Å; W379-H383 HydrophobicContact CH2-CB 3.99Å; W379-H383 AromaticContact CH2-CD2 3.66Å; W379-H383 AromaticContact CH2-CG 3.92Å; W379-H383 HydrophobicContact CZ3-CB 3.64Å; W379-H383 AromaticContact CZ3-CD2 3.98Å; W379-H383 AromaticContact CZ3-CG 3.76Å; W379-H383 WeakPolarHBondContact O-CB 3.37Å; W379-H383 PolarHBondContact O-N 3.39Å; K380-H383 PolarHBondContact O-N 3.33Å; F381-H383 VanDerWaalsContact C-N 3.27Å; F381-H383 PolarHBondContact O-N 2.83Å; H383-L386 PolarHBondContact O-N 3.41Å; H383-K387 WeakPolarHBondContact O-CG 3.14Å; H383-K387 PolarHBondContact O-N 3.13Å; H383-K387 VanDerWaalsContact O-N 3.17Å
384	W	98.2	Very high	96.7	Very high	29 Å²	29	31.1 Å²	31.1	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-75.9	-27.1	-179.7	-68.4	111.2	0	0	0	113.3	W92 V344 T368 D370 K380 F381 K387 G388 V389	W92-W384 AromaticContact CH2-CZ3 3.93Å; W92-W384 HydrophobicContact CH2-CZ3 3.93Å; W92-W384 HydrophobicContact CZ3-CZ3 4.48Å; V344-W384 HydrophobicContact CB-CD2 4.21Å; V344-W384 HydrophobicContact CB-CG 4.29Å; V344-W384 HydrophobicContact CG1-CB 3.89Å; V344-W384 HydrophobicContact CG1-CD2 4.26Å; V344-W384 HydrophobicContact CG1-CG 3.84Å; V344-W384 HydrophobicContact CG2-CD2 3.86Å; V344-W384 HydrophobicContact CG2-CG 4Å; V344-W384 HydrophobicContact CG2-CZ2 4.01Å; T368-W384 HydrophobicContact CG2-CH2 4.08Å; T368-W384 HydrophobicContact CG2-CZ2 4.39Å; D370-W384 HydrophobicContact CB-CZ2 4.38Å; D370-W384 PolarHBondContact OD2-NE1 2.73Å; K380-W384 PolarHBondContact O-N 3.31Å; F381-W384 PolarHBondContact O-N 3.2Å; W384-K387 HydrophobicContact CE3-CB 4.44Å; W384-K387 HydrophobicContact CE3-CD 4.12Å; W384-K387 HydrophobicContact CZ3-CD 4.19Å; W384-K387 PolarHBondContact O-N 2.97Å; W384-G388 PolarHBondContact O-N 2.87Å; W384-V389 HydrophobicContact CD2-CG2 4.4Å; W384-V389 HydrophobicContact CE3-CB 4.48Å; W384-V389 HydrophobicContact CE3-CG2 3.44Å; W384-V389 VanDerWaalsContact CE3-CG2 3.44Å; W384-V389 HydrophobicContact CZ3-CG2 3.93Å; W384-V389 PolarHBondContact O-N 3.13Å
385	E	98.1	Very high	96.8	Very high	25 Å²	25	26.7 Å²	26.7	12%	0.117	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-45.9	169.5	-73.4	163.9	-174.4	0	0	111.8	R330 F381 K387 G388 R392 R410	R330-E385 IonicContact CZ-OE1 3.61Å; R330-E385 IonicContact CZ-OE2 3.97Å; R330-E385 VanDerWaalsContact CZ-OE2 3.27Å; R330-E385 IonicContact NE-OE2 2.75Å; R330-E385 PolarHBondContact NE-OE2 2.5Å; R330-E385 IonicContact NH2-OE1 3.84Å; R330-E385 PolarHBondContact NH2-OE1 2.98Å; R330-E385 IonicContact NH2-OE2 2.75Å; R330-E385 PolarHBondContact NH2-OE2 2.94Å; F381-E385 WeakPolarHBondContact O-CB 3.26Å; F381-E385 WeakPolarHBondContact O-CG 3.4Å; F381-E385 PolarHBondContact O-N 3.37Å; E385-K387 VanDerWaalsContact C-N 3.28Å; E385-K387 PolarHBondContact O-N 3.14Å; E385-G388 PolarHBondContact O-N 3.49Å; E385-R392 IonicContact OE1-CZ 3.52Å; E385-R392 IonicContact OE1-NH1 2.88Å; E385-R392 PolarHBondContact OE1-NH1 3.32Å; E385-R392 IonicContact OE1-NH2 3.33Å; E385-R410 PolarHBondContact O-NE 2.73Å; E385-R410 PolarHBondContact O-NH2 2.81Å
386	L	98.2	Very high	96.9	Very high	5 Å²	5	23 Å²	23	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-40.8	174.8	174.6	72.2	0	0	0	112.3	L54 L56 K74 S75 R330 L332 S382 H383 G388	L54-L386 HydrophobicContact CD1-CD2 3.92Å; L54-L386 HydrophobicContact CG-CD2 4.36Å; L54-L386 VanDerWaalsContact O-CD2 3.24Å; L54-L386 WeakPolarHBondContact O-CD2 3Å; L56-L386 HydrophobicContact CD2-CD1 3.89Å; L56-L386 HydrophobicContact CG-CD1 4.45Å; K74-L386 HydrophobicContact CB-CD1 4.02Å; K74-L386 HydrophobicContact CB-CD2 4Å; K74-L386 HydrophobicContact CB-CG 4.42Å; K74-L386 WeakPolarHBondContact O-CD2 3.44Å; S75-L386 WeakPolarHBondContact CB-O 3.46Å; R330-L386 WeakPolarHBondContact O-CA 3.35Å; L332-L386 PolarHBondContact N-O 3.31Å; S382-L386 WeakPolarHBondContact O-CB 3.36Å; S382-L386 PolarHBondContact O-N 3.06Å; H383-L386 PolarHBondContact O-N 3.41Å; L386-G388 PolarHBondContact O-N 3.12Å
387	K	98.4	Very high	96.7	Very high	10 Å²	10	23.1 Å²	23.1	4%	0.043	13%	0.134	C	C	.	.	H	α-helix	trans	-74.6	-11	177	-66.9	-173.5	76.1	73.3	0	113.6	S75 E76 W92 H383 W384 E385	S75-K387 PolarHBondContact O-NZ 3.08Å; E76-K387 IonicContact OE2-NZ 2.71Å; E76-K387 PolarHBondContact OE2-NZ 3.24Å; W92-K387 HydrophobicContact CZ2-CB 4Å; W92-K387 PolarHBondContact NE1-O 2.97Å; H383-K387 WeakPolarHBondContact O-CG 3.14Å; H383-K387 PolarHBondContact O-N 3.13Å; H383-K387 VanDerWaalsContact O-N 3.17Å; W384-K387 HydrophobicContact CE3-CB 4.44Å; W384-K387 HydrophobicContact CE3-CD 4.12Å; W384-K387 HydrophobicContact CZ3-CD 4.19Å; W384-K387 PolarHBondContact O-N 2.97Å; E385-K387 VanDerWaalsContact C-N 3.28Å; E385-K387 PolarHBondContact O-N 3.14Å
388	G	98.5	Very high	96.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	25.4	173.7	0	0	0	0	0	115.3	L332 L334 W384 E385 L386 P390	L332-G388 WeakPolarHBondContact O-CA 3.46Å; L334-G388 VanDerWaalsContact CB-O 3.27Å; L334-G388 WeakPolarHBondContact CB-O 3.24Å; L334-G388 WeakPolarHBondContact CG-O 3.48Å; L334-G388 PolarHBondContact N-O 2.64Å; W384-G388 PolarHBondContact O-N 2.87Å; E385-G388 PolarHBondContact O-N 3.49Å; L386-G388 PolarHBondContact O-N 3.12Å; G388-P390 WeakPolarHBondContact O-CD 3.41Å
389	V	98.8	Very high	96.4	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	14%	0.142	C	C	.	.			trans	-59.2	125.7	174.7	171.8	0	0	0	0	109.3	W92 V341 V344 W384 V391 R410	W92-V389 HydrophobicContact CH2-CG2 3.99Å; W92-V389 HydrophobicContact CZ2-CG2 3.89Å; V341-V389 HydrophobicContact CB-CG2 4.02Å; V341-V389 HydrophobicContact CG1-CG1 3.96Å; V341-V389 HydrophobicContact CG1-CG2 4.09Å; V344-V389 HydrophobicContact CB-CG1 4.12Å; V344-V389 HydrophobicContact CG1-CB 4.42Å; V344-V389 HydrophobicContact CG1-CG1 3.91Å; W384-V389 HydrophobicContact CD2-CG2 4.4Å; W384-V389 HydrophobicContact CE3-CB 4.48Å; W384-V389 HydrophobicContact CE3-CG2 3.44Å; W384-V389 VanDerWaalsContact CE3-CG2 3.44Å; W384-V389 HydrophobicContact CZ3-CG2 3.93Å; W384-V389 PolarHBondContact O-N 3.13Å; V389-V391 PolarHBondContact O-N 3.45Å; V389-R410 WeakPolarHBondContact O-CB 3.39Å
390	P	98.9	Very high	96.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.156	C	C	.	.	S	Bend	trans	-55.8	-49.1	-173.2	-28.4	33.3	0	0	0	114.9	P336 A339 V341 Q342 G388 R410 L431 M434	P336-P390 HydrophobicContact CB-CG 4.42Å; P336-P390 HydrophobicContact CG-CB 4.12Å; P336-P390 HydrophobicContact CG-CG 4.18Å; A339-P390 HydrophobicContact CB-CG 3.73Å; V341-P390 WeakPolarHBondContact O-CD 3.33Å; Q342-P390 WeakPolarHBondContact O-CD 3.25Å; G388-P390 WeakPolarHBondContact O-CD 3.41Å; P390-R410 VanDerWaalsContact O-CB 3.24Å; P390-R410 WeakPolarHBondContact O-CB 3.08Å; P390-R410 PolarHBondContact O-N 2.83Å; P390-L431 HydrophobicContact CB-CD2 3.87Å; P390-L431 HydrophobicContact CG-CD2 4.47Å; P390-M434 HydrophobicContact CB-CE 3.85Å; P390-M434 HydrophobicContact CB-SD 4.04Å; P390-M434 WeakPolarHBondContact O-CE 3.19Å
391	V	98.8	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.5	-175.5	-179.7	0	0	0	0	110	Q342 V343 V344 V389 L407 V408 L430 L431 M434	Q342-V391 PolarHBondContact O-N 3.14Å; V343-V391 CarbonylContact C-O 3.4Å; V343-V391 VanDerWaalsContact CA-O 3.27Å; V343-V391 WeakPolarHBondContact CA-O 3.05Å; V343-V391 HydrophobicContact CG1-CG1 4.43Å; V343-V391 HydrophobicContact CG2-CB 4.16Å; V344-V391 PolarHBondContact N-O 2.54Å; V389-V391 PolarHBondContact O-N 3.45Å; V391-L407 HydrophobicContact CG1-CB 4.28Å; V391-L407 HydrophobicContact CG1-CD2 3.94Å; V391-V408 WeakPolarHBondContact CA-O 3.25Å; V391-L430 HydrophobicContact CG1-CD2 4.1Å; V391-L430 HydrophobicContact CG2-CD2 3.78Å; V391-L430 HydrophobicContact CG2-CG 4.21Å; V391-L431 HydrophobicContact CG2-CD2 3.88Å; V391-M434 HydrophobicContact CG2-SD 3.77Å
392	R	98.4	Very high	95.7	Very high	25 Å²	25	38.4 Å²	38.4	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.7	163.8	175.5	-179.2	65.3	-127.1	14.2	108.9	V344 I346 E385 E394 L407 V408	V344-R392 HydrophobicContact CG1-CB 4.12Å; V344-R392 HydrophobicContact CG1-CG 4.24Å; V344-R392 CarbonylContact O-C 3.6Å; V344-R392 WeakPolarHBondContact O-CA 3.21Å; I346-R392 HydrophobicContact CD1-CG 3.95Å; I346-R392 HydrophobicContact CG1-CG 4.34Å; E385-R392 IonicContact OE1-CZ 3.52Å; E385-R392 IonicContact OE1-NH1 2.88Å; E385-R392 PolarHBondContact OE1-NH1 3.32Å; E385-R392 IonicContact OE1-NH2 3.33Å; R392-E394 HydrophobicContact CG-CG 4.18Å; R392-E394 IonicContact CZ-OE1 3.55Å; R392-E394 VanDerWaalsContact CZ-OE1 3.24Å; R392-E394 IonicContact NE-OE1 2.82Å; R392-E394 PolarHBondContact NE-OE1 3.08Å; R392-E394 IonicContact NH2-OE1 3.42Å; R392-E394 PolarHBondContact NH2-OE1 2.77Å; R392-L407 CarbonylContact O-C 3.6Å; R392-L407 WeakPolarHBondContact O-CA 3.47Å; R392-V408 HydrophobicContact CB-CB 4.4Å; R392-V408 PolarHBondContact N-O 3.19Å; R392-V408 PolarHBondContact O-N 3.04Å
393	L	98.1	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114	173.6	-166.3	162.3	0	0	0	108.7	V343 V344 I345 I346 L356 L360 V395 V405 V406 L407 V423	V343-L393 HydrophobicContact CG1-CB 3.99Å; V343-L393 HydrophobicContact CG1-CD1 4.48Å; V344-L393 PolarHBondContact O-N 2.93Å; I345-L393 CarbonylContact C-O 3.54Å; I345-L393 WeakPolarHBondContact CA-O 3.27Å; I345-L393 HydrophobicContact CG1-CB 4.14Å; I345-L393 HydrophobicContact CG1-CD1 4.38Å; I345-L393 HydrophobicContact CG1-CD2 4.45Å; I345-L393 HydrophobicContact CG2-CD2 4.09Å; I346-L393 PolarHBondContact N-O 2.81Å; L356-L393 HydrophobicContact CD2-CD1 3.72Å; L356-L393 HydrophobicContact CD2-CD2 3.51Å; L356-L393 HydrophobicContact CD2-CG 4.29Å; L356-L393 HydrophobicContact CG-CD1 4.33Å; L360-L393 HydrophobicContact CD1-CD1 4.22Å; L393-V395 HydrophobicContact CD2-CG2 3.3Å; L393-V405 HydrophobicContact CD1-CG2 4.44Å; L393-V405 HydrophobicContact CD2-CB 3.88Å; L393-V405 HydrophobicContact CD2-CG1 3.97Å; L393-V405 HydrophobicContact CD2-CG2 4.3Å; L393-V405 HydrophobicContact CG-CB 4.37Å; L393-V405 HydrophobicContact CG-CG2 4.35Å; L393-V406 CarbonylContact C-O 3.16Å; L393-V406 WeakPolarHBondContact CA-O 3.42Å; L393-L407 HydrophobicContact CB-CD2 4.01Å; L393-L407 HydrophobicContact CD1-CD2 3.75Å; L393-L407 HydrophobicContact CG-CD2 3.7Å; L393-V423 HydrophobicContact CD1-CG2 3.75Å
394	E	96.4	Very high	95.4	Very high	23 Å²	23	38.2 Å²	38.2	11%	0.107	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.8	178.4	-56.7	173.4	-175.5	0	0	109.1	F381 R392 V406 V408 K415	F381-E394 HydrophobicContact CE1-CG 4.19Å; F381-E394 HydrophobicContact CZ-CG 3.99Å; R392-E394 HydrophobicContact CG-CG 4.18Å; R392-E394 IonicContact CZ-OE1 3.55Å; R392-E394 VanDerWaalsContact CZ-OE1 3.24Å; R392-E394 IonicContact NE-OE1 2.82Å; R392-E394 PolarHBondContact NE-OE1 3.08Å; R392-E394 IonicContact NH2-OE1 3.42Å; R392-E394 PolarHBondContact NH2-OE1 2.77Å; E394-V406 HydrophobicContact CB-CB 4.25Å; E394-V406 PolarHBondContact N-O 2.94Å; E394-V406 PolarHBondContact O-N 2.82Å; E394-V408 HydrophobicContact CG-CG2 4.41Å; E394-V408 WeakPolarHBondContact OE1-CG2 3.43Å; E394-K415 IonicContact OE2-NZ 2.77Å
395	V	94.5	Very high	95.3	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	101.5	178.5	-167.4	0	0	0	0	109.2	I345 I346 C348 I350 L356 L393 V405	I345-V395 HydrophobicContact CG2-CG2 3.64Å; I346-V395 PolarHBondContact O-N 2.8Å; C348-V395 PolarHBondContact N-O 3.1Å; I350-V395 HydrophobicContact CD1-CB 4.02Å; I350-V395 HydrophobicContact CD1-CG1 3.44Å; I350-V395 VanDerWaalsContact CD1-CG1 3.44Å; L356-V395 HydrophobicContact CD2-CG2 4.13Å; L393-V395 HydrophobicContact CD2-CG2 3.3Å; V395-V405 HydrophobicContact CG2-CG1 4.29Å
396	G	92.6	Very high	95.3	Very high	7 Å²	7	36.4 Å²	36.4	7%	0.072	20%	0.201	C	C	.	.			trans	-104.3	157.1	176.3	0	0	0	0	0	112.5	R398 D399 L400	G396-R398 VanDerWaalsContact C-N 3.28Å; G396-R398 PolarHBondContact O-N 2.99Å; G396-D399 PolarHBondContact O-N 3.15Å; G396-L400 WeakPolarHBondContact O-CB 3.35Å; G396-L400 PolarHBondContact O-N 3.49Å
397	P	91.1	Very high	95.3	Very high	75 Å²	75	36.2 Å²	36.2	49%	0.487	20%	0.2	S	C	.	.	H	α-helix	trans	-63.8	-33.6	-179.9	25.6	-34.4	0	0	0	112.6	C348 I350 A401	C348-P397 WeakPolarHBondContact O-CD 3.39Å; I350-P397 HydrophobicContact CG2-CB 4.03Å; I350-P397 HydrophobicContact CG2-CG 4.49Å; P397-A401 WeakPolarHBondContact O-CB 3.5Å; P397-A401 PolarHBondContact O-N 3.29Å; P397-A401 VanDerWaalsContact O-N 3.07Å
398	R	90.8	Very high	95.3	Very high	185 Å²	185	36 Å²	36	70%	0.698	20%	0.2	S	C	*	.	H	α-helix	trans	-68	-49.8	177.4	-179	-179.8	175.4	173.4	-0.3	111.6	G396 L400 A401 E402	G396-R398 VanDerWaalsContact C-N 3.28Å; G396-R398 PolarHBondContact O-N 2.99Å; R398-L400 VanDerWaalsContact C-N 3.29Å; R398-L400 PolarHBondContact O-N 2.88Å; R398-A401 WeakPolarHBondContact O-CB 3.28Å; R398-A401 PolarHBondContact O-N 3.49Å; R398-E402 IonicContact NE-OE1 3.94Å; R398-E402 PolarHBondContact NE-OE1 3.13Å; R398-E402 IonicContact NH2-OE1 2.8Å; R398-E402 PolarHBondContact O-N 2.99Å; R398-E402 VanDerWaalsContact O-N 3.11Å
399	D	90.4	Very high	95.3	Very high	38 Å²	38	37 Å²	37	20%	0.203	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-40.4	179.5	-59.3	-60.2	0	0	0	110.8	G396 A401 E402 G403 Q404	G396-D399 PolarHBondContact O-N 3.15Å; D399-A401 VanDerWaalsContact C-N 3.33Å; D399-A401 PolarHBondContact O-N 2.78Å; D399-E402 CarbonylContact O-C 3.29Å; D399-E402 WeakPolarHBondContact O-CA 3.26Å; D399-E402 PolarHBondContact O-N 2.72Å; D399-G403 PolarHBondContact O-N 2.87Å; D399-Q404 CarbonylContact C-O 3.55Å; D399-Q404 HydrophobicContact CB-CG 3.78Å; D399-Q404 WeakPolarHBondContact CB-O 3.26Å; D399-Q404 WeakPolarHBondContact O-CG 3.33Å; D399-Q404 PolarHBondContact O-N 2.94Å; D399-Q404 VanDerWaalsContact O-O 3.1Å; D399-Q404 PolarHBondContact OD1-NE2 2.91Å
400	L	88.8	Confident	95.3	Very high	90 Å²	90	37.2 Å²	37.2	47%	0.471	20%	0.204	S	C	.	.	H	α-helix	trans	-65	-36.7	176.9	-166.2	65.3	0	0	0	112.5	G396 R398 E402 G403 V420	G396-L400 WeakPolarHBondContact O-CB 3.35Å; G396-L400 PolarHBondContact O-N 3.49Å; R398-L400 VanDerWaalsContact C-N 3.29Å; R398-L400 PolarHBondContact O-N 2.88Å; L400-E402 PolarHBondContact O-N 2.67Å; L400-G403 PolarHBondContact O-N 2.82Å; L400-V420 HydrophobicContact CD1-CG2 4.4Å
401	A	91	Very high	95.2	Very high	91 Å²	91	37.9 Å²	37.9	75%	0.752	21%	0.207	S	C	*	.	H	α-helix	trans	-65.3	-28.7	173.1	0	0	0	0	0	112.7	P397 R398 D399 G403	P397-A401 WeakPolarHBondContact O-CB 3.5Å; P397-A401 PolarHBondContact O-N 3.29Å; P397-A401 VanDerWaalsContact O-N 3.07Å; R398-A401 WeakPolarHBondContact O-CB 3.28Å; R398-A401 PolarHBondContact O-N 3.49Å; D399-A401 VanDerWaalsContact C-N 3.33Å; D399-A401 PolarHBondContact O-N 2.78Å; A401-G403 VanDerWaalsContact C-N 3.31Å
402	E	93.6	Very high	95.1	Very high	105 Å²	105	41.6 Å²	41.6	49%	0.491	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	1.3	173.3	-65.5	174.1	-158.2	0	0	112.3	R398 D399 L400 Q404	R398-E402 IonicContact NE-OE1 3.94Å; R398-E402 PolarHBondContact NE-OE1 3.13Å; R398-E402 IonicContact NH2-OE1 2.8Å; R398-E402 PolarHBondContact O-N 2.99Å; R398-E402 VanDerWaalsContact O-N 3.11Å; D399-E402 CarbonylContact O-C 3.29Å; D399-E402 WeakPolarHBondContact O-CA 3.26Å; D399-E402 PolarHBondContact O-N 2.72Å; L400-E402 PolarHBondContact O-N 2.67Å; E402-Q404 VanDerWaalsContact C-N 3.34Å; E402-Q404 HydrophobicContact CB-CG 4.22Å; E402-Q404 PolarHBondContact OE2-NE2 3.49Å
403	G	94	Very high	95	Very high	38 Å²	38	43 Å²	43	39%	0.392	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	25	-180	0	0	0	0	0	114.3	D399 L400 A401 P419 V420	D399-G403 PolarHBondContact O-N 2.87Å; L400-G403 PolarHBondContact O-N 2.82Å; A401-G403 VanDerWaalsContact C-N 3.31Å; G403-P419 WeakPolarHBondContact O-CA 3.14Å; G403-V420 PolarHBondContact O-N 2.95Å
404	Q	96	Very high	95	Very high	42 Å²	42	45.1 Å²	45.1	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	166.5	-174.2	77.4	-161.7	-1.1	0	0	113.2	D399 E402 V417 S418	D399-Q404 CarbonylContact C-O 3.55Å; D399-Q404 HydrophobicContact CB-CG 3.78Å; D399-Q404 WeakPolarHBondContact CB-O 3.26Å; D399-Q404 WeakPolarHBondContact O-CG 3.33Å; D399-Q404 PolarHBondContact O-N 2.94Å; D399-Q404 VanDerWaalsContact O-O 3.1Å; D399-Q404 PolarHBondContact OD1-NE2 2.91Å; E402-Q404 VanDerWaalsContact C-N 3.34Å; E402-Q404 HydrophobicContact CB-CG 4.22Å; E402-Q404 PolarHBondContact OE2-NE2 3.49Å; Q404-V417 HydrophobicContact CB-CG1 3.87Å; Q404-V417 VanDerWaalsContact CD-CG1 3.41Å; Q404-V417 HydrophobicContact CG-CG1 3.73Å; Q404-V417 VanDerWaalsContact OE1-CG1 3.26Å; Q404-S418 CarbonylContact C-O 3.58Å; Q404-S418 VanDerWaalsContact CA-O 3.27Å; Q404-S418 WeakPolarHBondContact CA-O 3.39Å; Q404-S418 WeakPolarHBondContact CB-O 3.29Å
405	V	96.1	Very high	95	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	159.3	173.3	-68.8	0	0	0	0	110	L356 L393 V395 V417 S418 V420 V423	L356-V405 HydrophobicContact CD2-CG1 4.42Å; L393-V405 HydrophobicContact CD1-CG2 4.44Å; L393-V405 HydrophobicContact CD2-CB 3.88Å; L393-V405 HydrophobicContact CD2-CG1 3.97Å; L393-V405 HydrophobicContact CD2-CG2 4.3Å; L393-V405 HydrophobicContact CG-CB 4.37Å; L393-V405 HydrophobicContact CG-CG2 4.35Å; V395-V405 HydrophobicContact CG2-CG1 4.29Å; V405-V417 WeakPolarHBondContact O-CA 3.42Å; V405-S418 PolarHBondContact N-O 3.27Å; V405-S418 PolarHBondContact O-N 2.73Å; V405-V420 HydrophobicContact CG1-CG2 3.92Å; V405-V423 HydrophobicContact CG2-CG2 3.88Å
406	V	97.5	Very high	95.2	Very high	15 Å²	15	52.1 Å²	52.1	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.7	177.8	-176.6	0	0	0	0	110.1	L393 E394 V408 K415 I416 V417	L393-V406 CarbonylContact C-O 3.16Å; L393-V406 WeakPolarHBondContact CA-O 3.42Å; E394-V406 HydrophobicContact CB-CB 4.25Å; E394-V406 PolarHBondContact N-O 2.94Å; E394-V406 PolarHBondContact O-N 2.82Å; V406-V408 HydrophobicContact CG1-CG2 4.15Å; V406-K415 HydrophobicContact CG1-CB 4.27Å; V406-K415 HydrophobicContact CG1-CD 4.24Å; V406-I416 WeakPolarHBondContact CA-O 3.39Å; V406-V417 HydrophobicContact CG2-CG2 4.43Å
407	L	98.2	Very high	95.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.3	172.7	-58.5	171.3	0	0	0	109	V391 R392 L393 K415 I416 E426 V427 L430	V391-L407 HydrophobicContact CG1-CB 4.28Å; V391-L407 HydrophobicContact CG1-CD2 3.94Å; R392-L407 CarbonylContact O-C 3.6Å; R392-L407 WeakPolarHBondContact O-CA 3.47Å; L393-L407 HydrophobicContact CB-CD2 4.01Å; L393-L407 HydrophobicContact CD1-CD2 3.75Å; L393-L407 HydrophobicContact CG-CD2 3.7Å; L407-K415 CarbonylContact O-C 3.24Å; L407-K415 WeakPolarHBondContact O-CA 3.35Å; L407-I416 HydrophobicContact CB-CB 4.43Å; L407-I416 PolarHBondContact N-O 2.86Å; L407-I416 PolarHBondContact O-N 2.97Å; L407-E426 HydrophobicContact CD1-CB 4.3Å; L407-E426 HydrophobicContact CD1-CG 3.58Å; L407-V427 HydrophobicContact CD1-CG2 4.19Å; L407-V427 HydrophobicContact CD2-CG2 3.86Å; L407-L430 HydrophobicContact CB-CD2 4.11Å; L407-L430 HydrophobicContact CD1-CD2 4.36Å
408	V	98.5	Very high	95.7	Very high	7 Å²	7	52.3 Å²	52.3	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.6	177.6	-171.1	0	0	0	0	109.5	V391 R392 E394 V406 S414 K415	V391-V408 WeakPolarHBondContact CA-O 3.25Å; R392-V408 HydrophobicContact CB-CB 4.4Å; R392-V408 PolarHBondContact N-O 3.19Å; R392-V408 PolarHBondContact O-N 3.04Å; E394-V408 HydrophobicContact CG-CG2 4.41Å; E394-V408 WeakPolarHBondContact OE1-CG2 3.43Å; V406-V408 HydrophobicContact CG1-CG2 4.15Å; V408-S414 WeakPolarHBondContact CA-O 3.38Å; V408-K415 HydrophobicContact CG1-CG 4.33Å; V408-K415 HydrophobicContact CG2-CD 4.27Å; V408-K415 HydrophobicContact CG2-CG 3.98Å
409	R	98.4	Very high	96	Very high	19 Å²	19	47 Å²	47	7%	0.072	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.7	176.6	-77.1	179.2	63.6	165.8	3.5	111.3	D411 D412 S413 S414 L430 M434 S437	R409-D411 WeakPolarHBondContact CB-OD1 3.43Å; R409-D411 IonicContact CZ-OD1 3.68Å; R409-D411 IonicContact CZ-OD2 2.82Å; R409-D411 IonicContact NE-OD1 3.56Å; R409-D411 PolarHBondContact NE-OD1 2.77Å; R409-D411 IonicContact NE-OD2 3.63Å; R409-D411 IonicContact NH2-OD1 4Å; R409-D411 PolarHBondContact NH2-OD1 3.38Å; R409-D411 IonicContact NH2-OD2 3.93Å; R409-D411 PolarHBondContact NH2-OD2 3.07Å; R409-D412 VanDerWaalsContact CB-OD1 3.28Å; R409-D412 WeakPolarHBondContact CB-OD1 3.33Å; R409-D412 IonicContact CZ-OD2 3.49Å; R409-D412 VanDerWaalsContact CZ-OD2 3.25Å; R409-D412 IonicContact NE-OD1 2.77Å; R409-D412 IonicContact NE-OD2 2.73Å; R409-D412 PolarHBondContact NE-OD2 2.93Å; R409-D412 IonicContact NH1-OD2 3.36Å; R409-D412 PolarHBondContact NH1-OD2 3.13Å; R409-D412 IonicContact NH2-OD2 3.11Å; R409-S413 WeakPolarHBondContact O-CA 3.47Å; R409-S413 PolarHBondContact O-N 3.08Å; R409-S414 WeakPolarHBondContact CD-OG 3.33Å; R409-S414 PolarHBondContact N-O 3.2Å; R409-L430 HydrophobicContact CG-CD1 3.71Å; R409-L430 HydrophobicContact CG-CD2 4Å; R409-L430 HydrophobicContact CG-CG 4.02Å; R409-M434 HydrophobicContact CB-CE 4.37Å; R409-M434 HydrophobicContact CB-SD 4.42Å; R409-M434 HydrophobicContact CG-CG 4.14Å; R409-M434 HydrophobicContact CG-SD 3.96Å; R409-S437 PolarHBondContact NH2-OG 3.08Å; R409-S437 VanDerWaalsContact NH2-OG 3.11Å
410	R	98.3	Very high	96.2	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.038	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-36.7	176	174.2	57.4	-170.6	89.6	1.3	113.5	D328 L332 V333 E385 V389 P390 M434	D328-R410 IonicContact OD1-CZ 3.58Å; D328-R410 IonicContact OD1-NH1 3.68Å; D328-R410 IonicContact OD1-NH2 3.32Å; D328-R410 PolarHBondContact OD1-NH2 2.71Å; D328-R410 IonicContact OD2-CZ 2.72Å; D328-R410 IonicContact OD2-NH1 2.68Å; D328-R410 PolarHBondContact OD2-NH1 3.11Å; D328-R410 IonicContact OD2-NH2 2.84Å; D328-R410 PolarHBondContact OD2-NH2 2.83Å; L332-R410 VanDerWaalsContact O-CZ 3.27Å; L332-R410 PolarHBondContact O-NE 3.49Å; L332-R410 VanDerWaalsContact O-NE 3.14Å; L332-R410 PolarHBondContact O-NH2 3.01Å; V333-R410 HydrophobicContact CG2-CG 4.49Å; E385-R410 PolarHBondContact O-NE 2.73Å; E385-R410 PolarHBondContact O-NH2 2.81Å; V389-R410 WeakPolarHBondContact O-CB 3.39Å; P390-R410 VanDerWaalsContact O-CB 3.24Å; P390-R410 WeakPolarHBondContact O-CB 3.08Å; P390-R410 PolarHBondContact O-N 2.83Å; R410-M434 HydrophobicContact CB-CE 4.36Å
411	D	97.6	Very high	96.4	Very high	16 Å²	16	47.4 Å²	47.4	9%	0.086	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-28.3	-169.2	68	-48.1	0	0	0	113.5	V333 R409 M434 L438 R441	V333-D411 HydrophobicContact CG1-CB 3.95Å; R409-D411 WeakPolarHBondContact CB-OD1 3.43Å; R409-D411 IonicContact CZ-OD1 3.68Å; R409-D411 IonicContact CZ-OD2 2.82Å; R409-D411 IonicContact NE-OD1 3.56Å; R409-D411 PolarHBondContact NE-OD1 2.77Å; R409-D411 IonicContact NE-OD2 3.63Å; R409-D411 IonicContact NH2-OD1 4Å; R409-D411 PolarHBondContact NH2-OD1 3.38Å; R409-D411 IonicContact NH2-OD2 3.93Å; R409-D411 PolarHBondContact NH2-OD2 3.07Å; D411-M434 HydrophobicContact CB-CE 4.14Å; D411-M434 WeakPolarHBondContact OD1-CE 3.3Å; D411-L438 HydrophobicContact CB-CD2 4.06Å; D411-R441 IonicContact OD2-NH2 2.77Å; D411-R441 PolarHBondContact OD2-NH2 3.1Å
412	D	96.5	Very high	96.7	Very high	77 Å²	77	46.2 Å²	46.2	41%	0.412	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	-4.4	179.7	67.5	14.7	0	0	0	115	R409 S414	R409-D412 VanDerWaalsContact CB-OD1 3.28Å; R409-D412 WeakPolarHBondContact CB-OD1 3.33Å; R409-D412 IonicContact CZ-OD2 3.49Å; R409-D412 VanDerWaalsContact CZ-OD2 3.25Å; R409-D412 IonicContact NE-OD1 2.77Å; R409-D412 IonicContact NE-OD2 2.73Å; R409-D412 PolarHBondContact NE-OD2 2.93Å; R409-D412 IonicContact NH1-OD2 3.36Å; R409-D412 PolarHBondContact NH1-OD2 3.13Å; R409-D412 IonicContact NH2-OD2 3.11Å; D412-S414 PolarHBondContact O-N 3.34Å; D412-S414 VanDerWaalsContact OD1-CB 3.24Å; D412-S414 WeakPolarHBondContact OD1-CB 3.23Å; D412-S414 PolarHBondContact OD1-N 3.28Å; D412-S414 PolarHBondContact OD1-OG 3.02Å; D412-S414 PolarHBondContact OD2-OG 2.76Å
413	S	96.6	Very high	96.8	Very high	54 Å²	54	41.4 Å²	41.4	38%	0.378	26%	0.261	S	S	.	.			trans	65.9	9.2	-176.7	-38.7	0	0	0	0	116	R330 R409	R330-S413 PolarHBondContact NH1-OG 3.33Å; R409-S413 WeakPolarHBondContact O-CA 3.47Å; R409-S413 PolarHBondContact O-N 3.08Å
414	S	97.7	Very high	97	Very high	46 Å²	46	40.4 Å²	40.4	32%	0.322	25%	0.248	S	C	.	.			trans	-65.9	150.4	176.4	64.2	0	0	0	0	111	V408 R409 D412	V408-S414 WeakPolarHBondContact CA-O 3.38Å; R409-S414 WeakPolarHBondContact CD-OG 3.33Å; R409-S414 PolarHBondContact N-O 3.2Å; D412-S414 PolarHBondContact O-N 3.34Å; D412-S414 VanDerWaalsContact OD1-CB 3.24Å; D412-S414 WeakPolarHBondContact OD1-CB 3.23Å; D412-S414 PolarHBondContact OD1-N 3.28Å; D412-S414 PolarHBondContact OD1-OG 3.02Å; D412-S414 PolarHBondContact OD2-OG 2.76Å
415	K	97.6	Very high	97.1	Very high	134 Å²	134	44 Å²	44	58%	0.583	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	139.2	-177.3	-59.1	-164.8	174.6	-163.6	0	110.3	E394 V406 L407 V408	E394-K415 IonicContact OE2-NZ 2.77Å; V406-K415 HydrophobicContact CG1-CB 4.27Å; V406-K415 HydrophobicContact CG1-CD 4.24Å; L407-K415 CarbonylContact O-C 3.24Å; L407-K415 WeakPolarHBondContact O-CA 3.35Å; V408-K415 HydrophobicContact CG1-CG 4.33Å; V408-K415 HydrophobicContact CG2-CD 4.27Å; V408-K415 HydrophobicContact CG2-CG 3.98Å
416	I	97.3	Very high	97.2	Very high	44 Å²	44	45.5 Å²	45.5	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.1	176.5	-55.4	171.7	0	0	0	107.6	V406 L407 L430	V406-I416 WeakPolarHBondContact CA-O 3.39Å; L407-I416 HydrophobicContact CB-CB 4.43Å; L407-I416 PolarHBondContact N-O 2.86Å; L407-I416 PolarHBondContact O-N 2.97Å; I416-L430 HydrophobicContact CD1-CD1 3.51Å; I416-L430 HydrophobicContact CD1-CD2 4.28Å
417	V	97.3	Very high	97.2	Very high	83 Å²	83	44.8 Å²	44.8	50%	0.503	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.5	170.7	-177.8	0	0	0	0	107.6	Q404 V405 V406	Q404-V417 HydrophobicContact CB-CG1 3.87Å; Q404-V417 VanDerWaalsContact CD-CG1 3.41Å; Q404-V417 HydrophobicContact CG-CG1 3.73Å; Q404-V417 VanDerWaalsContact OE1-CG1 3.26Å; V405-V417 WeakPolarHBondContact O-CA 3.42Å; V406-V417 HydrophobicContact CG2-CG2 4.43Å
418	S	97.1	Very high	97.2	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.7	-179.4	-179.7	0	0	0	0	110.3	Q404 V405	Q404-S418 CarbonylContact C-O 3.58Å; Q404-S418 VanDerWaalsContact CA-O 3.27Å; Q404-S418 WeakPolarHBondContact CA-O 3.39Å; Q404-S418 WeakPolarHBondContact CB-O 3.29Å; V405-S418 PolarHBondContact N-O 3.27Å; V405-S418 PolarHBondContact O-N 2.73Å
419	P	96.8	Very high	97.2	Very high	74 Å²	74	53.8 Å²	53.8	48%	0.481	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	140.6	164.3	-22.6	33.6	0	0	0	110.7	G403 G421 C422 V423	G403-P419 WeakPolarHBondContact O-CA 3.14Å; P419-G421 PolarHBondContact O-N 3Å; P419-C422 HydrophobicContact CB-CB 4.46Å; P419-C422 PolarHBondContact O-N 2.62Å; P419-C422 VanDerWaalsContact O-N 3.08Å; P419-V423 PolarHBondContact O-N 2.96Å
420	V	94.5	Very high	97.2	Very high	54 Å²	54	52.9 Å²	52.9	33%	0.327	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-57.2	-39.7	178.5	172.9	0	0	0	0	110.8	L400 G403 V405 C422 V423	L400-V420 HydrophobicContact CD1-CG2 4.4Å; G403-V420 PolarHBondContact O-N 2.95Å; V405-V420 HydrophobicContact CG1-CG2 3.92Å; V420-C422 PolarHBondContact O-N 3.26Å; V420-V423 WeakPolarHBondContact O-CB 3.46Å; V420-V423 WeakPolarHBondContact O-CG1 3.31Å; V420-V423 PolarHBondContact O-N 3.29Å
421	G	94.3	Very high	97.2	Very high	81 Å²	81	52.9 Å²	52.9	84%	0.835	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-66.1	-18.2	179.6	0	0	0	0	0	115.3	P419	P419-G421 PolarHBondContact O-N 3Å
422	C	96	Very high	97.3	Very high	67 Å²	67	57 Å²	57	45%	0.453	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-108.7	4	-179.7	-60.5	0	0	0	0	112.8	P419 V420 V424 D425 E426	P419-C422 HydrophobicContact CB-CB 4.46Å; P419-C422 PolarHBondContact O-N 2.62Å; P419-C422 VanDerWaalsContact O-N 3.08Å; V420-C422 PolarHBondContact O-N 3.26Å; C422-V424 VanDerWaalsContact C-N 3.3Å; C422-V424 PolarHBondContact O-N 3.08Å; C422-D425 PolarHBondContact O-N 3.49Å; C422-E426 PolarHBondContact O-N 3.49Å
423	V	96.5	Very high	97.4	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-34.8	-168	70.4	0	0	0	0	113.6	L356 L393 V405 P419 V420 V427	L356-V423 HydrophobicContact CD1-CB 4.44Å; L356-V423 HydrophobicContact CD1-CG1 3.57Å; L356-V423 HydrophobicContact CD1-CG2 4.24Å; L393-V423 HydrophobicContact CD1-CG2 3.75Å; V405-V423 HydrophobicContact CG2-CG2 3.88Å; P419-V423 PolarHBondContact O-N 2.96Å; V420-V423 WeakPolarHBondContact O-CB 3.46Å; V420-V423 WeakPolarHBondContact O-CG1 3.31Å; V420-V423 PolarHBondContact O-N 3.29Å; V423-V427 HydrophobicContact CG2-CG2 4.29Å; V423-V427 VanDerWaalsContact O-CB 3.25Å; V423-V427 WeakPolarHBondContact O-CB 3.35Å; V423-V427 WeakPolarHBondContact O-CG2 3.49Å; V423-V427 PolarHBondContact O-N 3.22Å
424	V	98	Very high	97.5	Very high	18 Å²	18	54 Å²	54	11%	0.109	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-50.1	179.7	173.6	0	0	0	0	110.9	T359 L360 N363 C422 V427 K428	T359-V424 HydrophobicContact CG2-CG2 3.71Å; L360-V424 HydrophobicContact CD2-CG2 4.24Å; N363-V424 HydrophobicContact CB-CG1 3.48Å; N363-V424 VanDerWaalsContact CB-CG1 3.48Å; N363-V424 HydrophobicContact CB-CG2 4.36Å; C422-V424 VanDerWaalsContact C-N 3.3Å; C422-V424 PolarHBondContact O-N 3.08Å; V424-V427 PolarHBondContact O-N 3.09Å; V424-K428 HydrophobicContact CG1-CD 4.29Å; V424-K428 WeakPolarHBondContact O-CG 3.46Å; V424-K428 PolarHBondContact O-N 2.94Å
425	D	98.1	Very high	97.5	Very high	116 Å²	116	52.1 Å²	52.1	62%	0.62	29%	0.291	S	S	*	.	H	α-helix	trans	-66.8	-41.4	-178.4	-66.6	-26.6	0	0	0	110.7	C422 K428 R429	C422-D425 PolarHBondContact O-N 3.49Å; D425-K428 PolarHBondContact O-N 3.09Å; D425-R429 VanDerWaalsContact O-CB 3.31Å; D425-R429 WeakPolarHBondContact O-CB 3.27Å; D425-R429 PolarHBondContact O-N 3.16Å
426	E	98	Very high	97.6	Very high	35 Å²	35	50.5 Å²	50.5	16%	0.164	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-41.4	178.3	-176.6	57.7	-166.4	0	0	111.9	L407 C422 R429 L430	L407-E426 HydrophobicContact CD1-CB 4.3Å; L407-E426 HydrophobicContact CD1-CG 3.58Å; C422-E426 PolarHBondContact O-N 3.49Å; E426-R429 PolarHBondContact O-N 2.85Å; E426-R429 IonicContact OE1-CZ 2.81Å; E426-R429 IonicContact OE1-NE 3.8Å; E426-R429 IonicContact OE1-NH2 3.31Å; E426-R429 PolarHBondContact OE1-NH2 3.36Å; E426-R429 IonicContact OE2-CZ 3.76Å; E426-R429 IonicContact OE2-NE 2.72Å; E426-R429 PolarHBondContact OE2-NE 2.82Å; E426-R429 IonicContact OE2-NH2 3.95Å; E426-R429 PolarHBondContact OE2-NH2 2.99Å; E426-L430 WeakPolarHBondContact O-CB 3.42Å; E426-L430 PolarHBondContact O-N 2.67Å
427	V	98.5	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-46.9	174.1	162.4	0	0	0	0	111.3	V343 L360 V365 L407 V423 V424 R429 L430 L431	V343-V427 HydrophobicContact CG2-CG1 3.54Å; V343-V427 HydrophobicContact CG2-CG2 4.44Å; L360-V427 HydrophobicContact CD2-CB 4.19Å; L360-V427 HydrophobicContact CD2-CG1 4.21Å; L360-V427 HydrophobicContact CD2-CG2 4.12Å; V365-V427 HydrophobicContact CG1-CG1 3.93Å; V365-V427 HydrophobicContact CG2-CG1 4.1Å; L407-V427 HydrophobicContact CD1-CG2 4.19Å; L407-V427 HydrophobicContact CD2-CG2 3.86Å; V423-V427 HydrophobicContact CG2-CG2 4.29Å; V423-V427 VanDerWaalsContact O-CB 3.25Å; V423-V427 WeakPolarHBondContact O-CB 3.35Å; V423-V427 WeakPolarHBondContact O-CG2 3.49Å; V423-V427 PolarHBondContact O-N 3.22Å; V424-V427 PolarHBondContact O-N 3.09Å; V427-R429 PolarHBondContact O-N 3.27Å; V427-L430 PolarHBondContact O-N 3.09Å; V427-L431 HydrophobicContact CG1-CD1 3.9Å; V427-L431 HydrophobicContact CG1-CG 4.31Å; V427-L431 VanDerWaalsContact O-CG 3.28Å; V427-L431 WeakPolarHBondContact O-CG 3.16Å; V427-L431 PolarHBondContact O-N 2.72Å
428	K	98.4	Very high	97.7	Very high	80 Å²	80	46 Å²	46	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-48.4	179	-75.6	176.7	176.2	176.6	0	111.2	N363 V365 V424 D425 L430 L431 D432	N363-K428 WeakPolarHBondContact O-CE 3.26Å; N363-K428 PolarHBondContact O-NZ 3.42Å; N363-K428 VanDerWaalsContact O-NZ 3.11Å; V365-K428 HydrophobicContact CG2-CG 4.27Å; V424-K428 HydrophobicContact CG1-CD 4.29Å; V424-K428 WeakPolarHBondContact O-CG 3.46Å; V424-K428 PolarHBondContact O-N 2.94Å; D425-K428 PolarHBondContact O-N 3.09Å; K428-L430 VanDerWaalsContact C-N 3.27Å; K428-L430 PolarHBondContact O-N 3.02Å; K428-L431 PolarHBondContact O-N 2.75Å; K428-D432 PolarHBondContact O-N 3.49Å; K428-D432 VanDerWaalsContact O-N 3.1Å
429	R	98.2	Very high	97.8	Very high	116 Å²	116	47.8 Å²	47.8	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-56.4	-42.6	175	-169.6	-166.1	72	73.6	-0.7	111.6	D425 E426 V427 L433	D425-R429 VanDerWaalsContact O-CB 3.31Å; D425-R429 WeakPolarHBondContact O-CB 3.27Å; D425-R429 PolarHBondContact O-N 3.16Å; E426-R429 PolarHBondContact O-N 2.85Å; E426-R429 IonicContact OE1-CZ 2.81Å; E426-R429 IonicContact OE1-NE 3.8Å; E426-R429 IonicContact OE1-NH2 3.31Å; E426-R429 PolarHBondContact OE1-NH2 3.36Å; E426-R429 IonicContact OE2-CZ 3.76Å; E426-R429 IonicContact OE2-NE 2.72Å; E426-R429 PolarHBondContact OE2-NE 2.82Å; E426-R429 IonicContact OE2-NH2 3.95Å; E426-R429 PolarHBondContact OE2-NH2 2.99Å; V427-R429 PolarHBondContact O-N 3.27Å; R429-L433 WeakPolarHBondContact O-CB 3.39Å; R429-L433 PolarHBondContact O-N 3.24Å
430	L	98.1	Very high	97.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.3	-42.6	-179.8	-167.2	61.1	0	0	0	112.2	V391 L407 R409 I416 E426 V427 K428 L433 M434	V391-L430 HydrophobicContact CG1-CD2 4.1Å; V391-L430 HydrophobicContact CG2-CD2 3.78Å; V391-L430 HydrophobicContact CG2-CG 4.21Å; L407-L430 HydrophobicContact CB-CD2 4.11Å; L407-L430 HydrophobicContact CD1-CD2 4.36Å; R409-L430 HydrophobicContact CG-CD1 3.71Å; R409-L430 HydrophobicContact CG-CD2 4Å; R409-L430 HydrophobicContact CG-CG 4.02Å; I416-L430 HydrophobicContact CD1-CD1 3.51Å; I416-L430 HydrophobicContact CD1-CD2 4.28Å; E426-L430 WeakPolarHBondContact O-CB 3.42Å; E426-L430 PolarHBondContact O-N 2.67Å; V427-L430 PolarHBondContact O-N 3.09Å; K428-L430 VanDerWaalsContact C-N 3.27Å; K428-L430 PolarHBondContact O-N 3.02Å; L430-L433 PolarHBondContact O-N 2.84Å; L430-M434 HydrophobicContact CG-SD 4.39Å; L430-M434 WeakPolarHBondContact O-CB 3.01Å; L430-M434 WeakPolarHBondContact O-CG 3.5Å; L430-M434 PolarHBondContact O-N 2.91Å
431	L	98.7	Very high	98.1	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.052	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-42	177.1	-67.5	171.2	0	0	0	111.5	P336 Q342 V365 P390 V391 V427 K428 M434 Q435	P336-L431 HydrophobicContact CB-CB 4.05Å; P336-L431 HydrophobicContact CB-CD2 3.93Å; P336-L431 HydrophobicContact CG-CD2 4.24Å; P336-L431 WeakPolarHBondContact CG-O 3.48Å; Q342-L431 HydrophobicContact CB-CD1 4.03Å; Q342-L431 HydrophobicContact CB-CD2 3.99Å; Q342-L431 HydrophobicContact CG-CD1 4.44Å; V365-L431 HydrophobicContact CG1-CD1 4.38Å; P390-L431 HydrophobicContact CB-CD2 3.87Å; P390-L431 HydrophobicContact CG-CD2 4.47Å; V391-L431 HydrophobicContact CG2-CD2 3.88Å; V427-L431 HydrophobicContact CG1-CD1 3.9Å; V427-L431 HydrophobicContact CG1-CG 4.31Å; V427-L431 VanDerWaalsContact O-CG 3.28Å; V427-L431 WeakPolarHBondContact O-CG 3.16Å; V427-L431 PolarHBondContact O-N 2.72Å; K428-L431 PolarHBondContact O-N 2.75Å; L431-M434 PolarHBondContact O-N 3.5Å; L431-Q435 PolarHBondContact O-N 3.29Å
432	D	98.6	Very high	98.3	Very high	101 Å²	101	45.7 Å²	45.7	54%	0.54	23%	0.227	S	C	.	.	H	α-helix	trans	-66.8	-43.8	175.6	-74.7	-31.2	0	0	0	112	K428 M434 Q435 Q436	K428-D432 PolarHBondContact O-N 3.49Å; K428-D432 VanDerWaalsContact O-N 3.1Å; D432-M434 VanDerWaalsContact C-N 3.32Å; D432-M434 PolarHBondContact O-N 3.09Å; D432-Q435 PolarHBondContact O-N 3.28Å; D432-Q436 PolarHBondContact O-N 3.47Å
433	L	98.4	Very high	98.4	Very high	69 Å²	69	45.9 Å²	45.9	36%	0.361	22%	0.22	S	C	.	.	H	α-helix	trans	-60.1	-42	175.5	177.7	62.3	0	0	0	111.8	R429 L430 Q436 S437	R429-L433 WeakPolarHBondContact O-CB 3.39Å; R429-L433 PolarHBondContact O-N 3.24Å; L430-L433 PolarHBondContact O-N 2.84Å; L433-Q436 PolarHBondContact O-N 2.81Å; L433-S437 VanDerWaalsContact O-CB 3.3Å; L433-S437 WeakPolarHBondContact O-CB 3.34Å; L433-S437 PolarHBondContact O-N 3Å; L433-S437 PolarHBondContact O-OG 3.39Å
434	M	98.6	Very high	98.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-43.9	176.8	-76.7	-179.4	80.2	0	0	111.7	P336 P390 V391 R409 R410 D411 L430 L431 D432 Q436 S437 L438	P336-M434 HydrophobicContact CG-CB 3.87Å; P390-M434 HydrophobicContact CB-CE 3.85Å; P390-M434 HydrophobicContact CB-SD 4.04Å; P390-M434 WeakPolarHBondContact O-CE 3.19Å; V391-M434 HydrophobicContact CG2-SD 3.77Å; R409-M434 HydrophobicContact CB-CE 4.37Å; R409-M434 HydrophobicContact CB-SD 4.42Å; R409-M434 HydrophobicContact CG-CG 4.14Å; R409-M434 HydrophobicContact CG-SD 3.96Å; R410-M434 HydrophobicContact CB-CE 4.36Å; D411-M434 HydrophobicContact CB-CE 4.14Å; D411-M434 WeakPolarHBondContact OD1-CE 3.3Å; L430-M434 HydrophobicContact CG-SD 4.39Å; L430-M434 WeakPolarHBondContact O-CB 3.01Å; L430-M434 WeakPolarHBondContact O-CG 3.5Å; L430-M434 PolarHBondContact O-N 2.91Å; L431-M434 PolarHBondContact O-N 3.5Å; D432-M434 VanDerWaalsContact C-N 3.32Å; D432-M434 PolarHBondContact O-N 3.09Å; M434-Q436 VanDerWaalsContact C-N 3.32Å; M434-Q436 PolarHBondContact O-N 2.57Å; M434-S437 PolarHBondContact O-N 3.2Å; M434-L438 VanDerWaalsContact O-CG 3.31Å; M434-L438 WeakPolarHBondContact O-CG 3.41Å; M434-L438 PolarHBondContact O-N 3.05Å
435	Q	98.8	Very high	98.5	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-46.8	175.8	-172.8	79.5	26.4	0	0	110.8	E239 L240 P336 R337 L431 D432 F439	E239-Q435 PolarHBondContact O-NE2 2.76Å; L240-Q435 PolarHBondContact O-NE2 2.92Å; P336-Q435 VanDerWaalsContact CD-OE1 3.24Å; P336-Q435 HydrophobicContact CG-CB 4.47Å; R337-Q435 HydrophobicContact CG-CG 4.4Å; L431-Q435 PolarHBondContact O-N 3.29Å; D432-Q435 PolarHBondContact O-N 3.28Å; Q435-F439 PolarHBondContact O-N 3.27Å
436	Q	98.7	Very high	98.5	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-67.3	-39.7	178.1	-168.9	63.2	48.3	0	0	112.5	D432 L433 M434 L438 F439 N440	D432-Q436 PolarHBondContact O-N 3.47Å; L433-Q436 PolarHBondContact O-N 2.81Å; M434-Q436 VanDerWaalsContact C-N 3.32Å; M434-Q436 PolarHBondContact O-N 2.57Å; Q436-L438 VanDerWaalsContact C-N 3.34Å; Q436-L438 PolarHBondContact O-N 3.45Å; Q436-F439 PolarHBondContact O-N 3.39Å; Q436-N440 PolarHBondContact NE2-OD1 3.09Å; Q436-N440 WeakPolarHBondContact O-CB 3.27Å; Q436-N440 VanDerWaalsContact O-CG 3.25Å; Q436-N440 PolarHBondContact O-N 3.25Å; Q436-N440 PolarHBondContact O-OD1 2.84Å
437	S	98.6	Very high	98.5	Very high	32 Å²	32	51.5 Å²	51.5	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-40.5	178.8	-60.2	0	0	0	0	111.8	R409 L433 M434 R441	R409-S437 PolarHBondContact NH2-OG 3.08Å; R409-S437 VanDerWaalsContact NH2-OG 3.11Å; L433-S437 VanDerWaalsContact O-CB 3.3Å; L433-S437 WeakPolarHBondContact O-CB 3.34Å; L433-S437 PolarHBondContact O-N 3Å; L433-S437 PolarHBondContact O-OG 3.39Å; M434-S437 PolarHBondContact O-N 3.2Å; S437-R441 WeakPolarHBondContact O-CB 3.45Å; S437-R441 PolarHBondContact O-N 3.48Å; S437-R441 VanDerWaalsContact O-N 3.13Å
438	L	98.8	Very high	98.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-45.8	175	-72.4	170.3	0	0	0	111.3	A242 H326 V333 P335 D411 M434 Q436 A442	A242-L438 HydrophobicContact CB-CB 3.74Å; H326-L438 HydrophobicContact CB-CD2 4.29Å; V333-L438 HydrophobicContact CG1-CD1 4.47Å; V333-L438 HydrophobicContact CG1-CD2 3.69Å; P335-L438 HydrophobicContact CB-CD1 4.47Å; D411-L438 HydrophobicContact CB-CD2 4.06Å; M434-L438 VanDerWaalsContact O-CG 3.31Å; M434-L438 WeakPolarHBondContact O-CG 3.41Å; M434-L438 PolarHBondContact O-N 3.05Å; Q436-L438 VanDerWaalsContact C-N 3.34Å; Q436-L438 PolarHBondContact O-N 3.45Å; L438-A442 WeakPolarHBondContact O-CB 3.26Å; L438-A442 PolarHBondContact O-N 2.98Å; L438-A442 VanDerWaalsContact O-N 3.08Å
439	F	98.9	Very high	98.4	Very high	42 Å²	42	56.2 Å²	56.2	18%	0.184	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-50	179.4	179.3	-93.9	0	0	0	111.6	E238 A242 P244 Q435 Q436 R441 A442 K443	E238-F439 HydrophobicContact CB-CD2 4.48Å; E238-F439 HydrophobicContact CB-CE2 3.84Å; E238-F439 HydrophobicContact CG-CE2 3.92Å; A242-F439 HydrophobicContact CB-CB 4.04Å; P244-F439 HydrophobicContact CB-CE2 4.2Å; P244-F439 HydrophobicContact CB-CZ 4.47Å; Q435-F439 PolarHBondContact O-N 3.27Å; Q436-F439 PolarHBondContact O-N 3.39Å; F439-R441 PolarHBondContact O-N 3.47Å; F439-A442 PolarHBondContact O-N 2.96Å; F439-K443 HydrophobicContact CE1-CB 4.37Å; F439-K443 WeakPolarHBondContact O-CB 3.17Å; F439-K443 PolarHBondContact O-N 3.22Å
440	N	98.8	Very high	98.4	Very high	69 Å²	69	52 Å²	52	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-46.4	-178.6	-71.7	-5.7	0	0	0	111.4	Q436 A442 K443 E444	Q436-N440 PolarHBondContact NE2-OD1 3.09Å; Q436-N440 WeakPolarHBondContact O-CB 3.27Å; Q436-N440 VanDerWaalsContact O-CG 3.25Å; Q436-N440 PolarHBondContact O-N 3.25Å; Q436-N440 PolarHBondContact O-OD1 2.84Å; N440-A442 PolarHBondContact O-N 2.93Å; N440-K443 PolarHBondContact O-N 3.28Å; N440-E444 WeakPolarHBondContact O-CB 3.16Å; N440-E444 VanDerWaalsContact O-CG 3.29Å; N440-E444 WeakPolarHBondContact O-CG 3.48Å; N440-E444 PolarHBondContact O-N 3.29Å
441	R	98.5	Very high	98.4	Very high	90 Å²	90	53.7 Å²	53.7	34%	0.34	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-46.4	177.6	-170.5	-161.3	-41.6	150.3	8.3	111.8	D411 S437 F439 K443 E445	D411-R441 IonicContact OD2-NH2 2.77Å; D411-R441 PolarHBondContact OD2-NH2 3.1Å; S437-R441 WeakPolarHBondContact O-CB 3.45Å; S437-R441 PolarHBondContact O-N 3.48Å; S437-R441 VanDerWaalsContact O-N 3.13Å; F439-R441 PolarHBondContact O-N 3.47Å; R441-K443 VanDerWaalsContact C-N 3.33Å; R441-E445 WeakPolarHBondContact O-CB 3.09Å; R441-E445 PolarHBondContact O-N 3.17Å
442	A	98.6	Very high	98.4	Very high	6 Å²	6	55.7 Å²	55.7	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-37.7	178.8	0	0	0	0	0	111.7	P244 I325 L438 F439 N440 E445 M446	P244-A442 VanDerWaalsContact CD-CB 3.49Å; P244-A442 HydrophobicContact CG-CB 4.09Å; I325-A442 HydrophobicContact CG2-CB 3.67Å; L438-A442 WeakPolarHBondContact O-CB 3.26Å; L438-A442 PolarHBondContact O-N 2.98Å; L438-A442 VanDerWaalsContact O-N 3.08Å; F439-A442 PolarHBondContact O-N 2.96Å; N440-A442 PolarHBondContact O-N 2.93Å; A442-E445 PolarHBondContact O-N 3.23Å; A442-M446 WeakPolarHBondContact O-CB 3.28Å; A442-M446 PolarHBondContact O-N 3.33Å
443	K	98.7	Very high	98.3	Very high	71 Å²	71	51.3 Å²	51.3	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-48.4	176.6	-174.4	64.8	168.9	79.5	0	111.6	P244 F439 N440 R441 E445 M446 D447	P244-K443 HydrophobicContact CB-CB 4.18Å; P244-K443 HydrophobicContact CB-CD 3.57Å; P244-K443 HydrophobicContact CB-CG 4.49Å; P244-K443 HydrophobicContact CG-CB 4.36Å; P244-K443 HydrophobicContact CG-CD 4.38Å; F439-K443 HydrophobicContact CE1-CB 4.37Å; F439-K443 WeakPolarHBondContact O-CB 3.17Å; F439-K443 PolarHBondContact O-N 3.22Å; N440-K443 PolarHBondContact O-N 3.28Å; R441-K443 VanDerWaalsContact C-N 3.33Å; K443-E445 VanDerWaalsContact C-N 3.27Å; K443-E445 PolarHBondContact O-N 2.92Å; K443-M446 HydrophobicContact CD-CE 3.99Å; K443-M446 PolarHBondContact O-N 3.38Å; K443-D447 IonicContact NZ-OD1 3.63Å; K443-D447 PolarHBondContact NZ-OD1 3.13Å; K443-D447 IonicContact NZ-OD2 3.55Å; K443-D447 PolarHBondContact NZ-OD2 3.04Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 PolarHBondContact O-N 3.09Å
444	E	98.5	Very high	98.2	Very high	136 Å²	136	53.4 Å²	53.4	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-57.4	-41.2	175.5	-74.1	170.7	-167.9	0	0	111.6	N440 K448	N440-E444 WeakPolarHBondContact O-CB 3.16Å; N440-E444 VanDerWaalsContact O-CG 3.29Å; N440-E444 WeakPolarHBondContact O-CG 3.48Å; N440-E444 PolarHBondContact O-N 3.29Å; E444-K448 VanDerWaalsContact O-CB 3.23Å; E444-K448 WeakPolarHBondContact O-CB 3.36Å; E444-K448 PolarHBondContact O-N 3.23Å
445	E	97.4	Very high	98.1	Very high	72 Å²	72	56.6 Å²	56.6	34%	0.336	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-45	177.7	-164.6	168.9	-157	0	0	112.1	P270 R441 A442 K443 D447 K448 F449	P270-E445 HydrophobicContact CB-CG 3.69Å; P270-E445 WeakPolarHBondContact CB-OE1 3.36Å; P270-E445 HydrophobicContact CG-CB 4.35Å; P270-E445 HydrophobicContact CG-CG 3.56Å; P270-E445 VanDerWaalsContact CG-OE2 3.3Å; P270-E445 WeakPolarHBondContact CG-OE2 3.18Å; R441-E445 WeakPolarHBondContact O-CB 3.09Å; R441-E445 PolarHBondContact O-N 3.17Å; A442-E445 PolarHBondContact O-N 3.23Å; K443-E445 VanDerWaalsContact C-N 3.27Å; K443-E445 PolarHBondContact O-N 2.92Å; E445-D447 PolarHBondContact O-N 3.26Å; E445-K448 PolarHBondContact O-N 3.17Å; E445-F449 HydrophobicContact CG-CD2 4.04Å; E445-F449 HydrophobicContact CG-CE2 4.01Å; E445-F449 WeakPolarHBondContact O-CD2 3.35Å; E445-F449 PolarHBondContact O-N 2.88Å
446	M	98.3	Very high	98	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.039	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-45.7	174.6	-176.6	178.9	81.3	0	0	111.6	P244 I246 Y268 A442 K443 F449 T450	P244-M446 HydrophobicContact CB-CE 3.8Å; P244-M446 HydrophobicContact CB-SD 4.14Å; P244-M446 HydrophobicContact CG-CB 4.18Å; P244-M446 HydrophobicContact CG-CE 4.2Å; P244-M446 HydrophobicContact CG-SD 4Å; I246-M446 HydrophobicContact CD1-CE 4.44Å; I246-M446 HydrophobicContact CD1-SD 4.39Å; I246-M446 HydrophobicContact CG1-CE 3.98Å; I246-M446 HydrophobicContact CG1-SD 4.2Å; Y268-M446 HydrophobicContact CD1-CB 4.49Å; A442-M446 WeakPolarHBondContact O-CB 3.28Å; A442-M446 PolarHBondContact O-N 3.33Å; K443-M446 HydrophobicContact CD-CE 3.99Å; K443-M446 PolarHBondContact O-N 3.38Å; M446-F449 CarbonylContact O-C 3.54Å; M446-F449 PolarHBondContact O-N 2.92Å; M446-T450 WeakPolarHBondContact O-CB 3.47Å; M446-T450 PolarHBondContact O-N 2.99Å; M446-T450 PolarHBondContact O-OG1 3.32Å
447	D	97.9	Very high	97.9	Very high	73 Å²	73	61.7 Å²	61.7	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-65.3	-41.7	-179	-70.2	-11.3	0	0	0	111.4	K443 E445 F449 T450	K443-D447 IonicContact NZ-OD1 3.63Å; K443-D447 PolarHBondContact NZ-OD1 3.13Å; K443-D447 IonicContact NZ-OD2 3.55Å; K443-D447 PolarHBondContact NZ-OD2 3.04Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 PolarHBondContact O-N 3.09Å; E445-D447 PolarHBondContact O-N 3.26Å; D447-F449 PolarHBondContact O-N 3.3Å; D447-T450 PolarHBondContact O-N 2.66Å; D447-T450 VanDerWaalsContact O-N 3.14Å
448	K	98	Very high	97.8	Very high	141 Å²	141	63.7 Å²	63.7	61%	0.613	30%	0.298	S	S	*	.	H	α-helix	trans	-56.6	-37.5	174.5	177.1	-177.8	175.6	-176.6	0	112.3	E444 E445 Y467	E444-K448 VanDerWaalsContact O-CB 3.23Å; E444-K448 WeakPolarHBondContact O-CB 3.36Å; E444-K448 PolarHBondContact O-N 3.23Å; E445-K448 PolarHBondContact O-N 3.17Å; K448-Y467 VanDerWaalsContact O-CE1 3.27Å; K448-Y467 WeakPolarHBondContact O-CE1 3.45Å
449	F	97.7	Very high	97.8	Very high	38 Å²	38	63.7 Å²	63.7	17%	0.167	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	7.4	-178.4	-72.1	-71.8	0	0	0	113.9	Y268 E445 M446 D447 Y467 I468	Y268-F449 HydrophobicContact CD1-CB 4.22Å; Y268-F449 HydrophobicContact CE1-CB 3.37Å; Y268-F449 AromaticContact CE1-CD2 3.58Å; Y268-F449 HydrophobicContact CE1-CD2 3.58Å; Y268-F449 AromaticContact CE1-CG 3.69Å; Y268-F449 HydrophobicContact CE1-CG 3.69Å; Y268-F449 HydrophobicContact CE2-CB 4.23Å; Y268-F449 AromaticContact CZ-CD2 3.99Å; Y268-F449 AromaticContact CZ-CG 3.69Å; Y268-F449 WeakPolarHBondContact OH-CB 3.43Å; Y268-F449 WeakPolarHBondContact OH-CD1 3.42Å; Y268-F449 WeakPolarHBondContact OH-CG 3.41Å; E445-F449 HydrophobicContact CG-CD2 4.04Å; E445-F449 HydrophobicContact CG-CE2 4.01Å; E445-F449 WeakPolarHBondContact O-CD2 3.35Å; E445-F449 PolarHBondContact O-N 2.88Å; M446-F449 CarbonylContact O-C 3.54Å; M446-F449 PolarHBondContact O-N 2.92Å; D447-F449 PolarHBondContact O-N 3.3Å; F449-Y467 HydrophobicContact CB-CD1 4.44Å; F449-Y467 HydrophobicContact CD1-CD1 4.32Å; F449-Y467 HydrophobicContact CD1-CD2 4.21Å; F449-Y467 HydrophobicContact CD1-CE1 4.17Å; F449-Y467 HydrophobicContact CD1-CE2 4.02Å; F449-Y467 HydrophobicContact CD1-CG 4.33Å; F449-Y467 AromaticContact CD1-CZ 3.99Å; F449-Y467 HydrophobicContact CE1-CE2 4.31Å; F449-Y467 WeakPolarHBondContact O-CA 3.26Å; F449-Y467 WeakPolarHBondContact O-CB 3.41Å; F449-Y467 WeakPolarHBondContact O-CD1 2.99Å; F449-I468 PolarHBondContact O-N 2.92Å
450	T	98	Very high	97.6	Very high	28 Å²	28	62.7 Å²	62.7	17%	0.172	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.6	174.2	-55	0	0	0	0	109.8	M446 D447 I468 M470 L528	M446-T450 WeakPolarHBondContact O-CB 3.47Å; M446-T450 PolarHBondContact O-N 2.99Å; M446-T450 PolarHBondContact O-OG1 3.32Å; D447-T450 PolarHBondContact O-N 2.66Å; D447-T450 VanDerWaalsContact O-N 3.14Å; T450-I468 WeakPolarHBondContact CA-O 3.23Å; T450-I468 HydrophobicContact CG2-CD1 4.24Å; T450-I468 HydrophobicContact CG2-CG1 4.17Å; T450-I468 WeakPolarHBondContact OG1-CD1 3.32Å; T450-I468 VanDerWaalsContact OG1-CG1 3.3Å; T450-I468 WeakPolarHBondContact OG1-CG1 3.49Å; T450-M470 HydrophobicContact CG2-CE 3.91Å; T450-L528 HydrophobicContact CG2-CD1 4.28Å
451	V	98	Very high	97.5	Very high	35 Å²	35	61.5 Å²	61.5	21%	0.212	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.9	-175.1	-68.1	0	0	0	0	112.6	V453 R462 Y467 I468 V469 M470	V451-V453 HydrophobicContact CG2-CG1 4.29Å; V451-R462 HydrophobicContact CG2-CB 4.19Å; V451-R462 HydrophobicContact CG2-CG 4.09Å; V451-Y467 HydrophobicContact CB-CD1 4.23Å; V451-Y467 HydrophobicContact CG1-CD1 3.55Å; V451-Y467 HydrophobicContact CG1-CE1 3.66Å; V451-Y467 HydrophobicContact CG2-CD1 3.7Å; V451-Y467 HydrophobicContact CG2-CG 4.18Å; V451-I468 PolarHBondContact N-O 2.84Å; V451-V469 HydrophobicContact CG2-CG2 4.11Å; V451-V469 CarbonylContact O-C 3.56Å; V451-V469 WeakPolarHBondContact O-CA 3.38Å; V451-M470 PolarHBondContact O-N 3.38Å
452	V	98.3	Very high	97.3	Very high	52 Å²	52	61.9 Å²	61.9	32%	0.315	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.4	172.5	-174.1	0	0	0	0	109.4	M470 P505 Y526	V452-M470 WeakPolarHBondContact CA-O 3.16Å; V452-M470 HydrophobicContact CG2-CB 4.26Å; V452-P505 HydrophobicContact CG1-CG 4.28Å; V452-P505 HydrophobicContact CG2-CB 3.48Å; V452-P505 VanDerWaalsContact CG2-CB 3.48Å; V452-P505 HydrophobicContact CG2-CG 3.87Å; V452-Y526 HydrophobicContact CG1-CD1 4.13Å; V452-Y526 HydrophobicContact CG1-CE1 3.59Å
453	V	97.5	Very high	97.2	Very high	9 Å²	9	61.6 Å²	61.6	6%	0.055	30%	0.295	C	S	.	.			trans	-126.1	150.3	175.2	-53.5	0	0	0	0	110.7	V451 D458 F459 R462 V469 M470 A471 P472 I515	V451-V453 HydrophobicContact CG2-CG1 4.29Å; V453-D458 HydrophobicContact CB-CB 4.35Å; V453-D458 HydrophobicContact CG1-CB 4.26Å; V453-F459 HydrophobicContact CG2-CB 3.82Å; V453-F459 HydrophobicContact CG2-CD2 3.95Å; V453-F459 HydrophobicContact CG2-CG 4.39Å; V453-R462 HydrophobicContact CG1-CG 4.11Å; V453-V469 HydrophobicContact CB-CG1 4.06Å; V453-V469 HydrophobicContact CG1-CG1 3.84Å; V453-V469 HydrophobicContact CG2-CG1 3.15Å; V453-M470 PolarHBondContact N-O 2.85Å; V453-A471 HydrophobicContact CG2-CB 3.96Å; V453-P472 VanDerWaalsContact O-CD 3.27Å; V453-P472 WeakPolarHBondContact O-CD 3.31Å; V453-I515 HydrophobicContact CG2-CD1 4.16Å
454	R	96.1	Very high	96.9	Very high	114 Å²	114	61.7 Å²	61.7	43%	0.43	30%	0.299	S	S	.	.			trans	-128.1	0.7	-175.8	-62.6	174.6	-166.2	74.6	-6.4	113.6	P472 E506 Y526	R454-P472 HydrophobicContact CG-CG 4.45Å; R454-E506 IonicContact CZ-OE1 2.81Å; R454-E506 IonicContact CZ-OE2 2.69Å; R454-E506 IonicContact NE-OE1 3.5Å; R454-E506 PolarHBondContact NE-OE1 2.91Å; R454-E506 IonicContact NH2-OE1 3.58Å; R454-E506 PolarHBondContact NH2-OE1 3.35Å; R454-E506 IonicContact NH2-OE2 3.5Å; R454-E506 PolarHBondContact NH2-OE2 3.36Å; R454-Y526 PolarHBondContact NE-OH 3.12Å
455	N	95.5	Very high	96.7	Very high	67 Å²	67	60 Å²	60	36%	0.358	30%	0.295	S	S	.	.	S	Bend	trans	-133.7	149.3	174.7	72.3	80.5	0	0	0	110.5	K457 D458 F459	N455-K457 VanDerWaalsContact C-N 3.33Å; N455-K457 PolarHBondContact O-N 3.02Å; N455-K457 PolarHBondContact OD1-N 3.02Å; N455-D458 PolarHBondContact ND2-OD2 3.45Å; N455-D458 PolarHBondContact O-N 3.1Å; N455-D458 PolarHBondContact OD1-N 3.08Å; N455-F459 PolarHBondContact O-N 3.07Å
456	W	97.1	Very high	96.5	Very high	48 Å²	48	61.1 Å²	61.1	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-35	-173.6	-176.2	-116.9	0	0	0	114.2	F459 C460 I483 D486 N487 I515 H516 P517	W456-F459 HydrophobicContact CE3-CB 4.26Å; W456-F459 AromaticContact CE3-CD1 3.78Å; W456-F459 HydrophobicContact CE3-CD1 3.78Å; W456-F459 HydrophobicContact CE3-CE1 4.4Å; W456-F459 HydrophobicContact CE3-CG 4.12Å; W456-F459 AromaticContact CH2-CD1 3.93Å; W456-F459 HydrophobicContact CH2-CD1 3.93Å; W456-F459 AromaticContact CH2-CE1 3.92Å; W456-F459 HydrophobicContact CH2-CE1 3.92Å; W456-F459 AromaticContact CZ3-CD1 3.37Å; W456-F459 HydrophobicContact CZ3-CD1 3.37Å; W456-F459 AromaticContact CZ3-CE1 3.56Å; W456-F459 HydrophobicContact CZ3-CE1 3.56Å; W456-F459 HydrophobicContact CZ3-CG 4.06Å; W456-F459 HydrophobicContact CZ3-CZ 4.35Å; W456-F459 WeakPolarHBondContact O-CB 3.48Å; W456-F459 PolarHBondContact O-N 3.42Å; W456-C460 VanDerWaalsContact CZ2-SG 3.55Å; W456-C460 PolarHBondContact O-N 3.15Å; W456-C460 PolarHBondContact O-SG 3.37Å; W456-I483 HydrophobicContact CH2-CB 4.36Å; W456-I483 HydrophobicContact CH2-CG1 4.3Å; W456-I483 HydrophobicContact CH2-CG2 4.14Å; W456-I483 HydrophobicContact CZ3-CG1 4.07Å; W456-I483 HydrophobicContact CZ3-CG2 4.21Å; W456-D486 HydrophobicContact CH2-CB 4.49Å; W456-D486 HydrophobicContact CZ2-CB 3.78Å; W456-N487 HydrophobicContact CH2-CB 4.18Å; W456-N487 HydrophobicContact CZ2-CB 4.35Å; W456-I515 HydrophobicContact CE3-CG1 4.3Å; W456-H516 AromaticContact CH2-CD2 3.74Å; W456-H516 AromaticContact CZ2-CD2 3.98Å; W456-H516 AromaticContact CZ3-CD2 3.87Å; W456-P517 HydrophobicContact CB-CG 4.19Å; W456-P517 HydrophobicContact CD2-CG 4.36Å; W456-P517 VanDerWaalsContact CG-CD 3.44Å; W456-P517 HydrophobicContact CG-CG 3.83Å
457	K	96.3	Very high	96.4	Very high	165 Å²	165	62.7 Å²	62.7	72%	0.717	30%	0.304	S	S	*	.	H	α-helix	trans	-63.1	-47.6	-179.8	-177.5	-177.4	175.1	-175.6	0	110.8	N455 F459 C460 A461	N455-K457 VanDerWaalsContact C-N 3.33Å; N455-K457 PolarHBondContact O-N 3.02Å; N455-K457 PolarHBondContact OD1-N 3.02Å; K457-F459 VanDerWaalsContact C-N 3.34Å; K457-C460 PolarHBondContact O-N 2.85Å; K457-A461 WeakPolarHBondContact O-CB 3.22Å; K457-A461 PolarHBondContact O-N 3.14Å
458	D	97.1	Very high	96.4	Very high	73 Å²	73	59.4 Å²	59.4	39%	0.39	29%	0.286	S	S	.	.	H	α-helix	trans	-69.7	-34.5	177.7	-67.2	-15.9	0	0	0	111.6	V453 N455 A461 R462	V453-D458 HydrophobicContact CB-CB 4.35Å; V453-D458 HydrophobicContact CG1-CB 4.26Å; N455-D458 PolarHBondContact ND2-OD2 3.45Å; N455-D458 PolarHBondContact O-N 3.1Å; N455-D458 PolarHBondContact OD1-N 3.08Å; D458-A461 PolarHBondContact O-N 3.1Å; D458-R462 VanDerWaalsContact O-CB 3.3Å; D458-R462 WeakPolarHBondContact O-CB 3.46Å; D458-R462 WeakPolarHBondContact O-CG 3.34Å; D458-R462 PolarHBondContact O-N 2.77Å
459	F	97.7	Very high	96.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-54.6	-55.4	171.6	179.3	-84.7	0	0	0	111.4	V453 N455 W456 K457 A461 R462 V463 V469 A471 I483 N487 A495 I515 F529	V453-F459 HydrophobicContact CG2-CB 3.82Å; V453-F459 HydrophobicContact CG2-CD2 3.95Å; V453-F459 HydrophobicContact CG2-CG 4.39Å; N455-F459 PolarHBondContact O-N 3.07Å; W456-F459 HydrophobicContact CE3-CB 4.26Å; W456-F459 AromaticContact CE3-CD1 3.78Å; W456-F459 HydrophobicContact CE3-CD1 3.78Å; W456-F459 HydrophobicContact CE3-CE1 4.4Å; W456-F459 HydrophobicContact CE3-CG 4.12Å; W456-F459 AromaticContact CH2-CD1 3.93Å; W456-F459 HydrophobicContact CH2-CD1 3.93Å; W456-F459 AromaticContact CH2-CE1 3.92Å; W456-F459 HydrophobicContact CH2-CE1 3.92Å; W456-F459 AromaticContact CZ3-CD1 3.37Å; W456-F459 HydrophobicContact CZ3-CD1 3.37Å; W456-F459 AromaticContact CZ3-CE1 3.56Å; W456-F459 HydrophobicContact CZ3-CE1 3.56Å; W456-F459 HydrophobicContact CZ3-CG 4.06Å; W456-F459 HydrophobicContact CZ3-CZ 4.35Å; W456-F459 WeakPolarHBondContact O-CB 3.48Å; W456-F459 PolarHBondContact O-N 3.42Å; K457-F459 VanDerWaalsContact C-N 3.34Å; F459-A461 PolarHBondContact O-N 2.89Å; F459-R462 PolarHBondContact O-N 3.3Å; F459-V463 HydrophobicContact CD1-CG2 4.44Å; F459-V463 HydrophobicContact CE1-CG2 4.16Å; F459-V463 HydrophobicContact CZ-CG2 4.27Å; F459-V463 WeakPolarHBondContact O-CG2 3.39Å; F459-V463 PolarHBondContact O-N 2.87Å; F459-V469 HydrophobicContact CD2-CG1 3.76Å; F459-V469 HydrophobicContact CE2-CG1 4.2Å; F459-A471 HydrophobicContact CD2-CB 3.92Å; F459-A471 HydrophobicContact CE2-CB 4.15Å; F459-I483 HydrophobicContact CE1-CG2 3.94Å; F459-I483 HydrophobicContact CZ-CG2 3.79Å; F459-N487 HydrophobicContact CE1-CB 4.44Å; F459-A495 HydrophobicContact CE1-CB 3.88Å; F459-A495 HydrophobicContact CZ-CB 3.94Å; F459-I515 HydrophobicContact CB-CD1 4.24Å; F459-I515 HydrophobicContact CB-CG1 4.01Å; F459-I515 HydrophobicContact CD2-CG1 3.8Å; F459-I515 HydrophobicContact CG-CG1 4.05Å; F459-F529 HydrophobicContact CE2-CB 3.58Å; F459-F529 HydrophobicContact CE2-CD1 4.38Å; F459-F529 AromaticContact CE2-CD2 3.69Å; F459-F529 HydrophobicContact CE2-CD2 3.69Å; F459-F529 HydrophobicContact CE2-CE2 4.46Å; F459-F529 AromaticContact CE2-CG 3.64Å; F459-F529 HydrophobicContact CE2-CG 3.64Å; F459-F529 HydrophobicContact CZ-CB 3.66Å; F459-F529 HydrophobicContact CZ-CD1 4.12Å; F459-F529 HydrophobicContact CZ-CD2 4.26Å; F459-F529 AromaticContact CZ-CG 3.77Å; F459-F529 HydrophobicContact CZ-CG 3.77Å
460	C	95.9	Very high	96.4	Very high	22 Å²	22	51.9 Å²	51.9	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-48.1	-180	-69	0	0	0	0	111.8	W456 K457 R462 V463 D464 N487	W456-C460 VanDerWaalsContact CZ2-SG 3.55Å; W456-C460 PolarHBondContact O-N 3.15Å; W456-C460 PolarHBondContact O-SG 3.37Å; K457-C460 PolarHBondContact O-N 2.85Å; C460-R462 VanDerWaalsContact C-N 3.34Å; C460-R462 PolarHBondContact O-N 2.77Å; C460-V463 PolarHBondContact O-N 2.94Å; C460-D464 WeakPolarHBondContact O-CB 3.44Å; C460-D464 VanDerWaalsContact O-CG 3.26Å; C460-D464 PolarHBondContact O-N 3.32Å; C460-N487 WeakPolarHBondContact CA-ND2 3.32Å; C460-N487 WeakPolarHBondContact CB-ND2 3.4Å; C460-N487 PolarHBondContact SG-ND2 2.95Å; C460-N487 VanDerWaalsContact SG-ND2 3.41Å
461	A	95.5	Very high	96.4	Very high	43 Å²	43	50.6 Å²	50.6	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-58.6	-44.2	-179.2	0	0	0	0	0	112.1	K457 D458 F459 D464 D465	K457-A461 WeakPolarHBondContact O-CB 3.22Å; K457-A461 PolarHBondContact O-N 3.14Å; D458-A461 PolarHBondContact O-N 3.1Å; F459-A461 PolarHBondContact O-N 2.89Å; A461-D464 PolarHBondContact O-N 3.19Å; A461-D465 WeakPolarHBondContact O-CB 3.38Å; A461-D465 PolarHBondContact O-N 3.29Å
462	R	96.2	Very high	96.4	Very high	98 Å²	98	48.9 Å²	48.9	37%	0.37	24%	0.236	S	C	.	.	H	α-helix	trans	-70.6	-42.2	-178.7	-67.1	-61.9	-178.4	179.1	-0.2	112.7	V451 V453 D458 F459 C460 D464 D465 K466 Y467 V469	V451-R462 HydrophobicContact CG2-CB 4.19Å; V451-R462 HydrophobicContact CG2-CG 4.09Å; V453-R462 HydrophobicContact CG1-CG 4.11Å; D458-R462 VanDerWaalsContact O-CB 3.3Å; D458-R462 WeakPolarHBondContact O-CB 3.46Å; D458-R462 WeakPolarHBondContact O-CG 3.34Å; D458-R462 PolarHBondContact O-N 2.77Å; F459-R462 PolarHBondContact O-N 3.3Å; C460-R462 VanDerWaalsContact C-N 3.34Å; C460-R462 PolarHBondContact O-N 2.77Å; R462-D464 VanDerWaalsContact C-N 3.26Å; R462-D464 PolarHBondContact O-N 2.91Å; R462-D465 CarbonylContact O-C 3.44Å; R462-D465 PolarHBondContact O-N 3.2Å; R462-K466 PolarHBondContact O-N 2.92Å; R462-Y467 HydrophobicContact CB-CG 4.39Å; R462-Y467 VanDerWaalsContact O-CB 3.3Å; R462-Y467 WeakPolarHBondContact O-CB 3.49Å; R462-Y467 PolarHBondContact O-N 2.65Å; R462-V469 HydrophobicContact CB-CG2 3.71Å
463	V	94.9	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-38.8	174.8	174.1	0	0	0	0	110.8	F459 C460 K466 V469 N487 A495 R531	F459-V463 HydrophobicContact CD1-CG2 4.44Å; F459-V463 HydrophobicContact CE1-CG2 4.16Å; F459-V463 HydrophobicContact CZ-CG2 4.27Å; F459-V463 WeakPolarHBondContact O-CG2 3.39Å; F459-V463 PolarHBondContact O-N 2.87Å; C460-V463 PolarHBondContact O-N 2.94Å; V463-K466 PolarHBondContact O-N 3.43Å; V463-V469 HydrophobicContact CG2-CB 4.29Å; V463-V469 HydrophobicContact CG2-CG2 3.79Å; V463-N487 WeakPolarHBondContact CG1-OD1 3.41Å; V463-A495 HydrophobicContact CG1-CB 4.23Å; V463-R531 HydrophobicContact CG1-CG 4.02Å
464	D	93	Very high	96.4	Very high	74 Å²	74	46 Å²	46	40%	0.396	22%	0.218	S	C	.	.	H	α-helix	trans	-67.7	-37.6	176.1	-70.9	-25.3	0	0	0	112.4	C460 A461 R462 K466 R531	C460-D464 WeakPolarHBondContact O-CB 3.44Å; C460-D464 VanDerWaalsContact O-CG 3.26Å; C460-D464 PolarHBondContact O-N 3.32Å; A461-D464 PolarHBondContact O-N 3.19Å; R462-D464 VanDerWaalsContact C-N 3.26Å; R462-D464 PolarHBondContact O-N 2.91Å; D464-K466 PolarHBondContact O-N 3.43Å; D464-K466 VanDerWaalsContact O-N 3.09Å; D464-R531 IonicContact OD1-CZ 3.82Å; D464-R531 IonicContact OD1-NH2 3.18Å; D464-R531 PolarHBondContact OD1-NH2 3.32Å
465	D	93.8	Very high	96.4	Very high	101 Å²	101	41.9 Å²	41.9	54%	0.54	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	21	173.4	-75.2	-12.1	0	0	0	113.8	A461 R462 Y467	A461-D465 WeakPolarHBondContact O-CB 3.38Å; A461-D465 PolarHBondContact O-N 3.29Å; R462-D465 CarbonylContact O-C 3.44Å; R462-D465 PolarHBondContact O-N 3.2Å; D465-Y467 VanDerWaalsContact C-N 3.32Å; D465-Y467 HydrophobicContact CB-CD2 3.94Å; D465-Y467 HydrophobicContact CB-CE2 4.08Å; D465-Y467 WeakPolarHBondContact O-CD2 3.27Å; D465-Y467 WeakPolarHBondContact O-CE2 3.44Å; D465-Y467 PolarHBondContact O-N 3.32Å
466	K	93.7	Very high	96.5	Very high	95 Å²	95	41.3 Å²	41.3	41%	0.413	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	12.6	174.2	-65.6	-175.9	-179.4	-174.9	0	115.9	Y268 S271 G273 R462 V463 D464	Y268-K466 WeakPolarHBondContact CE2-O 3.37Å; Y268-K466 PolarHBondContact OH-O 3.36Å; S271-K466 PolarHBondContact O-NZ 3.24Å; G273-K466 VanDerWaalsContact CA-CB 3.49Å; G273-K466 VanDerWaalsContact CA-O 3.32Å; G273-K466 WeakPolarHBondContact CA-O 3.42Å; R462-K466 PolarHBondContact O-N 2.92Å; V463-K466 PolarHBondContact O-N 3.43Å; D464-K466 PolarHBondContact O-N 3.43Å; D464-K466 VanDerWaalsContact O-N 3.09Å
467	Y	96.6	Very high	96.5	Very high	41 Å²	41	43.8 Å²	43.8	16%	0.161	22%	0.217	C	C	.	.			trans	-79.6	154.2	176.9	-70.7	-111.5	0	0	0	112.1	K448 F449 V451 R462 D465	K448-Y467 VanDerWaalsContact O-CE1 3.27Å; K448-Y467 WeakPolarHBondContact O-CE1 3.45Å; F449-Y467 HydrophobicContact CB-CD1 4.44Å; F449-Y467 HydrophobicContact CD1-CD1 4.32Å; F449-Y467 HydrophobicContact CD1-CD2 4.21Å; F449-Y467 HydrophobicContact CD1-CE1 4.17Å; F449-Y467 HydrophobicContact CD1-CE2 4.02Å; F449-Y467 HydrophobicContact CD1-CG 4.33Å; F449-Y467 AromaticContact CD1-CZ 3.99Å; F449-Y467 HydrophobicContact CE1-CE2 4.31Å; F449-Y467 WeakPolarHBondContact O-CA 3.26Å; F449-Y467 WeakPolarHBondContact O-CB 3.41Å; F449-Y467 WeakPolarHBondContact O-CD1 2.99Å; V451-Y467 HydrophobicContact CB-CD1 4.23Å; V451-Y467 HydrophobicContact CG1-CD1 3.55Å; V451-Y467 HydrophobicContact CG1-CE1 3.66Å; V451-Y467 HydrophobicContact CG2-CD1 3.7Å; V451-Y467 HydrophobicContact CG2-CG 4.18Å; R462-Y467 HydrophobicContact CB-CG 4.39Å; R462-Y467 VanDerWaalsContact O-CB 3.3Å; R462-Y467 WeakPolarHBondContact O-CB 3.49Å; R462-Y467 PolarHBondContact O-N 2.65Å; D465-Y467 VanDerWaalsContact C-N 3.32Å; D465-Y467 HydrophobicContact CB-CD2 3.94Å; D465-Y467 HydrophobicContact CB-CE2 4.08Å; D465-Y467 WeakPolarHBondContact O-CD2 3.27Å; D465-Y467 WeakPolarHBondContact O-CE2 3.44Å; D465-Y467 PolarHBondContact O-N 3.32Å
468	I	96.8	Very high	96.5	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.2	154.4	53.6	172.2	0	0	0	108.9	I246 Y268 F449 T450 V451 L498 L528 F529	I246-I468 HydrophobicContact CD1-CD1 3.96Å; Y268-I468 HydrophobicContact CD2-CD1 4.29Å; Y268-I468 HydrophobicContact CD2-CG1 4.21Å; Y268-I468 HydrophobicContact CD2-CG2 3.79Å; Y268-I468 HydrophobicContact CE2-CG2 4.24Å; Y268-I468 HydrophobicContact CG-CD1 4.35Å; F449-I468 PolarHBondContact O-N 2.92Å; T450-I468 WeakPolarHBondContact CA-O 3.23Å; T450-I468 HydrophobicContact CG2-CD1 4.24Å; T450-I468 HydrophobicContact CG2-CG1 4.17Å; T450-I468 WeakPolarHBondContact OG1-CD1 3.32Å; T450-I468 VanDerWaalsContact OG1-CG1 3.3Å; T450-I468 WeakPolarHBondContact OG1-CG1 3.49Å; V451-I468 PolarHBondContact N-O 2.84Å; I468-L498 HydrophobicContact CG2-CD1 3.88Å; I468-L528 HydrophobicContact CB-CD1 4.14Å; I468-L528 HydrophobicContact CD1-CD1 4.23Å; I468-L528 HydrophobicContact CD1-CD2 4.28Å; I468-L528 HydrophobicContact CG1-CD1 4.35Å; I468-F529 CarbonylContact C-O 3.57Å; I468-F529 WeakPolarHBondContact CA-O 3.32Å
469	V	97.9	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117.4	-161	176.3	0	0	0	0	109.8	V451 V453 F459 R462 V463 A471 L528 F529	V451-V469 HydrophobicContact CG2-CG2 4.11Å; V451-V469 CarbonylContact O-C 3.56Å; V451-V469 WeakPolarHBondContact O-CA 3.38Å; V453-V469 HydrophobicContact CB-CG1 4.06Å; V453-V469 HydrophobicContact CG1-CG1 3.84Å; V453-V469 HydrophobicContact CG2-CG1 3.15Å; F459-V469 HydrophobicContact CD2-CG1 3.76Å; F459-V469 HydrophobicContact CE2-CG1 4.2Å; R462-V469 HydrophobicContact CB-CG2 3.71Å; V463-V469 HydrophobicContact CG2-CB 4.29Å; V463-V469 HydrophobicContact CG2-CG2 3.79Å; V469-A471 HydrophobicContact CG1-CB 4.44Å; V469-L528 CarbonylContact O-C 3.53Å; V469-L528 WeakPolarHBondContact O-CA 3.46Å; V469-F529 PolarHBondContact N-O 2.95Å; V469-F529 PolarHBondContact O-N 3.49Å
470	M	98.2	Very high	96.4	Very high	22 Å²	22	37.4 Å²	37.4	11%	0.108	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.1	168	-65	-175.3	-175.7	0	0	109.3	T450 V451 V452 V453 P501 P505 Y526 T527 L528	T450-M470 HydrophobicContact CG2-CE 3.91Å; V451-M470 PolarHBondContact O-N 3.38Å; V452-M470 WeakPolarHBondContact CA-O 3.16Å; V452-M470 HydrophobicContact CG2-CB 4.26Å; V453-M470 PolarHBondContact N-O 2.85Å; M470-P501 HydrophobicContact CE-CB 4.36Å; M470-P501 HydrophobicContact CE-CG 3.99Å; M470-P501 HydrophobicContact SD-CG 4.48Å; M470-P505 HydrophobicContact CB-CG 4.42Å; M470-P505 HydrophobicContact SD-CB 4.27Å; M470-P505 HydrophobicContact SD-CG 4.08Å; M470-Y526 HydrophobicContact CB-CD1 4.48Å; M470-T527 WeakPolarHBondContact CA-O 3.49Å; M470-L528 HydrophobicContact CE-CD1 4.09Å; M470-L528 HydrophobicContact CG-CD1 3.58Å
471	A	98.3	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.5	-178.6	0	0	0	0	0	112.2	V453 F459 V469 F473 I515 Y526 T527 F529	V453-A471 HydrophobicContact CG2-CB 3.96Å; F459-A471 HydrophobicContact CD2-CB 3.92Å; F459-A471 HydrophobicContact CE2-CB 4.15Å; V469-A471 HydrophobicContact CG1-CB 4.44Å; A471-F473 PolarHBondContact O-N 2.86Å; A471-I515 HydrophobicContact CB-CB 3.88Å; A471-I515 HydrophobicContact CB-CD1 4.08Å; A471-I515 HydrophobicContact CB-CG1 3.73Å; A471-I515 HydrophobicContact CB-CG2 4.14Å; A471-Y526 WeakPolarHBondContact O-CA 3.42Å; A471-T527 PolarHBondContact N-O 2.93Å; A471-T527 PolarHBondContact O-N 3.06Å; A471-F529 HydrophobicContact CB-CD2 4.2Å; A471-F529 HydrophobicContact CB-CE2 4.34Å
472	P	98.3	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	125.9	173.9	-21.1	32.2	0	0	0	110.6	V453 R454 L508 Q512 C514 I515 A523 Y526	V453-P472 VanDerWaalsContact O-CD 3.27Å; V453-P472 WeakPolarHBondContact O-CD 3.31Å; R454-P472 HydrophobicContact CG-CG 4.45Å; P472-L508 HydrophobicContact CB-CD2 3.97Å; P472-L508 HydrophobicContact CG-CD2 4.37Å; P472-Q512 HydrophobicContact CB-CG 3.8Å; P472-Q512 HydrophobicContact CG-CG 3.96Å; P472-C514 CarbonylContact O-C 3.57Å; P472-I515 VanDerWaalsContact O-CB 3.3Å; P472-I515 WeakPolarHBondContact O-CB 3.44Å; P472-I515 PolarHBondContact O-N 2.66Å; P472-A523 HydrophobicContact CB-CB 3.54Å; P472-Y526 VanDerWaalsContact CD-CE1 3.49Å; P472-Y526 HydrophobicContact CG-CD1 4.18Å; P472-Y526 HydrophobicContact CG-CE1 3.56Å
473	F	98.4	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.2	-174.8	-176.9	-129.8	0	0	0	111.2	T251 A471 T475 C479 E480 I483 A523 E524 C525 T527 F529	T251-F473 HydrophobicContact CG2-CE1 4.22Å; A471-F473 PolarHBondContact O-N 2.86Å; F473-T475 VanDerWaalsContact C-N 3.33Å; F473-T475 HydrophobicContact CD1-CG2 4.39Å; F473-T475 VanDerWaalsContact CD1-N 3.29Å; F473-C479 HydrophobicContact CE2-CB 3.95Å; F473-E480 HydrophobicContact CZ-CB 3.86Å; F473-E480 HydrophobicContact CZ-CG 4.12Å; F473-I483 HydrophobicContact CD2-CD1 3.83Å; F473-I483 HydrophobicContact CE2-CD1 3.65Å; F473-A523 WeakPolarHBondContact O-CA 3.09Å; F473-E524 PolarHBondContact O-N 2.56Å; F473-C525 PolarHBondContact N-O 2.78Å; F473-C525 PolarHBondContact O-N 2.53Å; F473-T527 WeakPolarHBondContact CB-OG1 3.32Å; F473-T527 HydrophobicContact CD1-CG2 4.18Å; F473-T527 WeakPolarHBondContact CD1-OG1 3.25Å; F473-F529 HydrophobicContact CB-CE2 4.05Å; F473-F529 HydrophobicContact CB-CZ 4.02Å; F473-F529 AromaticContact CD1-CZ 3.93Å; F473-F529 HydrophobicContact CD1-CZ 3.93Å; F473-F529 AromaticContact CD2-CZ 3.84Å; F473-F529 HydrophobicContact CD2-CZ 3.84Å; F473-F529 HydrophobicContact CE1-CZ 4.36Å; F473-F529 HydrophobicContact CE2-CZ 4.32Å; F473-F529 HydrophobicContact CG-CE2 4.22Å; F473-F529 AromaticContact CG-CZ 3.67Å; F473-F529 HydrophobicContact CG-CZ 3.67Å
474	C	97.3	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.			trans	-88.6	5.2	-179.6	71.9	0	0	0	0	113.8	N476 C514 R521 P522	C474-N476 PolarHBondContact O-N 3.03Å; C474-N476 PolarHBondContact O-ND2 3.01Å; C474-C514 HydrophobicContact CB-CB 4Å; C474-R521 HydrophobicContact CB-CB 3.82Å; C474-P522 VanDerWaalsContact CB-O 3.27Å; C474-P522 WeakPolarHBondContact CB-O 3.28Å
475	T	96.7	Very high	96.2	Very high	28 Å²	28	43.5 Å²	43.5	17%	0.172	21%	0.21	C	C	.	.			trans	61.4	3.2	176.7	73.9	0	0	0	0	116.9	F473 I500 E524 C525	F473-T475 VanDerWaalsContact C-N 3.33Å; F473-T475 HydrophobicContact CD1-CG2 4.39Å; F473-T475 VanDerWaalsContact CD1-N 3.29Å; T475-I500 HydrophobicContact CG2-CD1 4.21Å; T475-E524 HydrophobicContact CG2-CB 4.06Å; T475-E524 VanDerWaalsContact OG1-CD 3.24Å; T475-E524 PolarHBondContact OG1-OE2 3.35Å; T475-C525 VanDerWaalsContact CG2-SG 3.57Å
476	N	97.1	Very high	96.2	Very high	55 Å²	55	41.5 Å²	41.5	29%	0.294	20%	0.199	S	C	.	.			trans	-84.9	135.3	-179.1	-75.1	-115.5	0	0	0	111.7	C474 D478 C479 E480 R521	C474-N476 PolarHBondContact O-N 3.03Å; C474-N476 PolarHBondContact O-ND2 3.01Å; N476-D478 WeakPolarHBondContact CB-OD1 3.38Å; N476-D478 PolarHBondContact O-N 3.48Å; N476-C479 WeakPolarHBondContact O-CB 3.23Å; N476-C479 PolarHBondContact O-N 3.07Å; N476-C479 VanDerWaalsContact O-N 3.16Å; N476-E480 PolarHBondContact O-N 3.33Å; N476-R521 PolarHBondContact OD1-NH1 3.02Å
477	E	96.2	Very high	95.9	Very high	100 Å²	100	37.2 Å²	37.2	47%	0.467	18%	0.181	S	C	.	.	H	α-helix	trans	-61.4	-39	-174.6	-53.9	-171.2	175.6	0	0	113.7	K253 C479 E480 D481	K253-E477 HydrophobicContact CB-CG 4.05Å; E477-C479 VanDerWaalsContact C-N 3.29Å; E477-C479 PolarHBondContact O-N 3.35Å; E477-E480 WeakPolarHBondContact O-CA 3.42Å; E477-E480 VanDerWaalsContact O-CB 3.24Å; E477-E480 WeakPolarHBondContact O-CB 3.44Å; E477-E480 PolarHBondContact O-N 2.87Å; E477-E480 VanDerWaalsContact O-N 3.08Å; E477-D481 PolarHBondContact O-N 2.86Å
478	D	96.4	Very high	94.9	Very high	91 Å²	91	39.9 Å²	39.9	49%	0.487	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-36	179	68.7	-59.9	0	0	0	111.8	N476 Q482 R521	N476-D478 WeakPolarHBondContact CB-OD1 3.38Å; N476-D478 PolarHBondContact O-N 3.48Å; D478-Q482 WeakPolarHBondContact O-CB 3.17Å; D478-Q482 PolarHBondContact O-N 3.45Å; D478-Q482 VanDerWaalsContact O-N 3.11Å; D478-R521 VanDerWaalsContact CG-NH2 3.29Å; D478-R521 IonicContact OD1-CZ 3.63Å; D478-R521 IonicContact OD1-NH1 2.7Å; D478-R521 PolarHBondContact OD1-NH1 3.5Å; D478-R521 IonicContact OD1-NH2 3.6Å; D478-R521 PolarHBondContact OD1-NH2 2.83Å; D478-R521 VanDerWaalsContact OD1-NH2 3.11Å; D478-R521 IonicContact OD2-CZ 2.83Å; D478-R521 IonicContact OD2-NH1 3.5Å; D478-R521 PolarHBondContact OD2-NH1 3.26Å; D478-R521 IonicContact OD2-NH2 3.74Å; D478-R521 PolarHBondContact OD2-NH2 2.91Å
479	C	97.3	Very high	93.4	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.027	21%	0.207	C	C	.	.	H	α-helix	trans	-70.9	-36.6	173.2	-168.2	0	0	0	0	111.5	F473 N476 E477 Q482 I483	F473-C479 HydrophobicContact CE2-CB 3.95Å; N476-C479 WeakPolarHBondContact O-CB 3.23Å; N476-C479 PolarHBondContact O-N 3.07Å; N476-C479 VanDerWaalsContact O-N 3.16Å; E477-C479 VanDerWaalsContact C-N 3.29Å; E477-C479 PolarHBondContact O-N 3.35Å; C479-Q482 PolarHBondContact O-N 3.32Å; C479-I483 VanDerWaalsContact O-CG1 3.31Å; C479-I483 WeakPolarHBondContact O-CG1 3.26Å; C479-I483 PolarHBondContact O-N 2.95Å
480	E	96.3	Very high	91.5	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-44.5	176.4	-154.5	167.5	140	0	0	111.7	T251 K253 E254 F473 N476 E477 Q482 I483 K484 S497	T251-E480 VanDerWaalsContact CB-OE2 3.26Å; T251-E480 WeakPolarHBondContact CB-OE2 3.39Å; T251-E480 PolarHBondContact OG1-OE1 3.17Å; T251-E480 PolarHBondContact OG1-OE2 2.79Å; T251-E480 VanDerWaalsContact OG1-OE2 3.12Å; K253-E480 HydrophobicContact CD-CB 4.28Å; K253-E480 HydrophobicContact CD-CG 4.25Å; E254-E480 WeakPolarHBondContact CG-OE1 3.38Å; F473-E480 HydrophobicContact CZ-CB 3.86Å; F473-E480 HydrophobicContact CZ-CG 4.12Å; N476-E480 PolarHBondContact O-N 3.33Å; E477-E480 WeakPolarHBondContact O-CA 3.42Å; E477-E480 VanDerWaalsContact O-CB 3.24Å; E477-E480 WeakPolarHBondContact O-CB 3.44Å; E477-E480 PolarHBondContact O-N 2.87Å; E477-E480 VanDerWaalsContact O-N 3.08Å; E480-Q482 VanDerWaalsContact C-N 3.35Å; E480-I483 PolarHBondContact O-N 3.34Å; E480-K484 PolarHBondContact O-N 2.66Å; E480-S497 PolarHBondContact OE1-OG 3.07Å
481	D	94.7	Very high	89	Confident	78 Å²	78	49.9 Å²	49.9	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-44.5	172	-87.4	-51.5	0	0	0	112.4	K253 E477 K484 K485	K253-D481 IonicContact NZ-OD1 3.55Å; K253-D481 PolarHBondContact NZ-OD1 2.95Å; K253-D481 IonicContact NZ-OD2 2.76Å; K253-D481 PolarHBondContact NZ-OD2 3.44Å; E477-D481 PolarHBondContact O-N 2.86Å; D481-K484 PolarHBondContact O-N 3.13Å; D481-K485 WeakPolarHBondContact O-CB 3.25Å; D481-K485 PolarHBondContact O-N 3.41Å
482	Q	95.1	Very high	86.9	Confident	54 Å²	54	54.4 Å²	54.4	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-65.8	-40.4	-179.1	-164.6	63.5	37.3	0	0	111.5	D478 C479 E480 K484 K485 D486 H516	D478-Q482 WeakPolarHBondContact O-CB 3.17Å; D478-Q482 PolarHBondContact O-N 3.45Å; D478-Q482 VanDerWaalsContact O-N 3.11Å; C479-Q482 PolarHBondContact O-N 3.32Å; E480-Q482 VanDerWaalsContact C-N 3.35Å; Q482-K484 VanDerWaalsContact C-N 3.34Å; Q482-K484 PolarHBondContact O-N 3.35Å; Q482-K485 PolarHBondContact O-N 3.07Å; Q482-D486 PolarHBondContact NE2-OD1 3.5Å; Q482-D486 PolarHBondContact NE2-OD2 3.45Å; Q482-D486 WeakPolarHBondContact O-CB 3.34Å; Q482-D486 PolarHBondContact O-N 2.96Å; Q482-H516 WeakPolarHBondContact CG-CE1 3.2Å
483	I	95.7	Very high	85.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.5	-47	174	-72.2	166.6	0	0	0	111	W456 F459 F473 C479 E480 K485 D486 N487 A495 I515 H516 F529	W456-I483 HydrophobicContact CH2-CB 4.36Å; W456-I483 HydrophobicContact CH2-CG1 4.3Å; W456-I483 HydrophobicContact CH2-CG2 4.14Å; W456-I483 HydrophobicContact CZ3-CG1 4.07Å; W456-I483 HydrophobicContact CZ3-CG2 4.21Å; F459-I483 HydrophobicContact CE1-CG2 3.94Å; F459-I483 HydrophobicContact CZ-CG2 3.79Å; F473-I483 HydrophobicContact CD2-CD1 3.83Å; F473-I483 HydrophobicContact CE2-CD1 3.65Å; C479-I483 VanDerWaalsContact O-CG1 3.31Å; C479-I483 WeakPolarHBondContact O-CG1 3.26Å; C479-I483 PolarHBondContact O-N 2.95Å; E480-I483 PolarHBondContact O-N 3.34Å; I483-K485 VanDerWaalsContact C-N 3.29Å; I483-K485 PolarHBondContact O-N 2.85Å; I483-D486 PolarHBondContact O-N 3.17Å; I483-N487 PolarHBondContact O-N 2.85Å; I483-A495 HydrophobicContact CG2-CB 4.13Å; I483-I515 HydrophobicContact CD1-CG2 3.95Å; I483-H516 HydrophobicContact CD1-CB 4.38Å; I483-H516 HydrophobicContact CG1-CB 3.93Å; I483-F529 HydrophobicContact CD1-CE1 3.98Å; I483-F529 HydrophobicContact CD1-CZ 3.96Å; I483-F529 HydrophobicContact CG2-CD1 4.26Å; I483-F529 HydrophobicContact CG2-CE1 4.25Å
484	K	93.4	Very high	85	Confident	86 Å²	86	56 Å²	56	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-36.1	178.6	-177	-179.2	177	-175.7	0	112.4	E480 D481 Q482 A495	E480-K484 PolarHBondContact O-N 2.66Å; D481-K484 PolarHBondContact O-N 3.13Å; Q482-K484 VanDerWaalsContact C-N 3.34Å; Q482-K484 PolarHBondContact O-N 3.35Å; K484-A495 VanDerWaalsContact CA-O 3.31Å; K484-A495 WeakPolarHBondContact CA-O 3.39Å; K484-A495 WeakPolarHBondContact CB-O 3.49Å
485	K	92.3	Very high	84.8	Confident	147 Å²	147	56 Å²	56	64%	0.639	32%	0.321	S	S	*	.	H	α-helix	trans	-74	-41.8	179.4	-175.6	-179.4	175.1	-176.1	0	112.6	D481 Q482 I483	D481-K485 WeakPolarHBondContact O-CB 3.25Å; D481-K485 PolarHBondContact O-N 3.41Å; Q482-K485 PolarHBondContact O-N 3.07Å; I483-K485 VanDerWaalsContact C-N 3.29Å; I483-K485 PolarHBondContact O-N 2.85Å
486	D	92.7	Very high	84.7	Confident	60 Å²	60	57.3 Å²	57.3	32%	0.321	32%	0.324	S	S	.	.	H	α-helix	trans	-90	-8.7	-173.3	-70.7	-4.7	0	0	0	113.6	W456 Q482 I483 P488 H516	W456-D486 HydrophobicContact CH2-CB 4.49Å; W456-D486 HydrophobicContact CZ2-CB 3.78Å; Q482-D486 PolarHBondContact NE2-OD1 3.5Å; Q482-D486 PolarHBondContact NE2-OD2 3.45Å; Q482-D486 WeakPolarHBondContact O-CB 3.34Å; Q482-D486 PolarHBondContact O-N 2.96Å; I483-D486 PolarHBondContact O-N 3.17Å; D486-P488 WeakPolarHBondContact O-CD 3.33Å; D486-H516 IonicContact OD2-CE1 2.79Å; D486-H516 PolarHBondContact OD2-CE1 3.37Å; D486-H516 IonicContact OD2-NE2 3.24Å; D486-H516 PolarHBondContact OD2-NE2 2.92Å
487	N	88.2	Confident	84.7	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.027	31%	0.311	C	S	.	.	S	Bend	trans	-115	70.6	161.7	-174.6	-104.1	0	0	0	110.1	W456 F459 C460 V463 I483 G489 G494 A495	W456-N487 HydrophobicContact CH2-CB 4.18Å; W456-N487 HydrophobicContact CZ2-CB 4.35Å; F459-N487 HydrophobicContact CE1-CB 4.44Å; C460-N487 WeakPolarHBondContact CA-ND2 3.32Å; C460-N487 WeakPolarHBondContact CB-ND2 3.4Å; C460-N487 PolarHBondContact SG-ND2 2.95Å; C460-N487 VanDerWaalsContact SG-ND2 3.41Å; V463-N487 WeakPolarHBondContact CG1-OD1 3.41Å; I483-N487 PolarHBondContact O-N 2.85Å; N487-G489 PolarHBondContact O-N 3.08Å; N487-G494 WeakPolarHBondContact O-CA 2.96Å; N487-A495 HydrophobicContact CB-CB 4.12Å; N487-A495 PolarHBondContact O-N 3.38Å
488	P	76	Confident	84.8	Confident	97 Å²	97	50.4 Å²	50.4	63%	0.63	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-72.3	126.9	-177.5	29.8	-34.2	0	0	0	111.2	D486	D486-P488 WeakPolarHBondContact O-CD 3.33Å
489	G	65.2	Low	84.9	Confident	10 Å²	10	46 Å²	46	10%	0.103	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-101.6	148.9	164.1	0	0	0	0	0	111.3	N487 P491 M493	N487-G489 PolarHBondContact O-N 3.08Å; G489-P491 CarbonylContact O-C 3.36Å; G489-M493 PolarHBondContact O-N 3.22Å
490	A	57.4	Low	84.9	Confident	87 Å²	87	47.4 Å²	47.4	72%	0.719	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	140.9	176.2	0	0	0	0	0	112.3	S492 M493	A490-S492 VanDerWaalsContact C-N 3.31Å; A490-S492 PolarHBondContact O-N 3.17Å; A490-M493 WeakPolarHBondContact O-CB 3.35Å; A490-M493 WeakPolarHBondContact O-CG 3.24Å
491	P	47	Very low	85	Confident	137 Å²	137	47.2 Å²	47.2	89%	0.89	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn		-83.8	0.2	-59	-2.2	21.8	0	0	0	112.9	G489	G489-P491 CarbonylContact O-C 3.36Å
492	S	53.7	Low	85.2	Confident	96 Å²	96	47.5 Å²	47.5	67%	0.671	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.7	21.6	-176.9	49.2	0	0	0	0	112.8	A490	A490-S492 VanDerWaalsContact C-N 3.31Å; A490-S492 PolarHBondContact O-N 3.17Å
493	M	71.4	Confident	85.3	Confident	25 Å²	25	52.7 Å²	52.7	12%	0.123	30%	0.295	C	S	.	.			trans	-117.8	28.5	-164.8	-62.5	-65.4	-46.7	0	0	113.1	R274 G489 A490 R531 S532	R274-M493 HydrophobicContact CG-CE 4.24Å; R274-M493 VanDerWaalsContact NE-CE 3.34Å; G489-M493 PolarHBondContact O-N 3.22Å; A490-M493 WeakPolarHBondContact O-CB 3.35Å; A490-M493 WeakPolarHBondContact O-CG 3.24Å; M493-R531 HydrophobicContact CE-CB 3.74Å; M493-R531 HydrophobicContact CE-CG 4.47Å; M493-R531 WeakPolarHBondContact O-CG 3.29Å; M493-S532 VanDerWaalsContact CE-O 3.22Å; M493-S532 WeakPolarHBondContact CE-O 3.47Å
494	G	85.7	Confident	85.4	Confident	7 Å²	7	56 Å²	56	7%	0.072	31%	0.311	C	S	.	.			trans	-60	156.2	173.7	0	0	0	0	0	111.9	N487 K496	N487-G494 WeakPolarHBondContact O-CA 2.96Å; G494-K496 PolarHBondContact O-N 2.92Å
495	A	92.5	Very high	85.6	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.008	31%	0.309	C	S	.	.			trans	-54	127.9	177.7	0	0	0	0	0	110.8	F459 V463 I483 K484 N487	F459-A495 HydrophobicContact CE1-CB 3.88Å; F459-A495 HydrophobicContact CZ-CB 3.94Å; V463-A495 HydrophobicContact CG1-CB 4.23Å; I483-A495 HydrophobicContact CG2-CB 4.13Å; K484-A495 VanDerWaalsContact CA-O 3.31Å; K484-A495 WeakPolarHBondContact CA-O 3.39Å; K484-A495 WeakPolarHBondContact CB-O 3.49Å; N487-A495 HydrophobicContact CB-CB 4.12Å; N487-A495 PolarHBondContact O-N 3.38Å
496	K	94.5	Very high	85.7	Confident	55 Å²	55	51.2 Å²	51.2	24%	0.239	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.8	172.6	-64.2	-172.5	-174.3	173.4	0	109.9	G494 L498 F529 G530 S532	G494-K496 PolarHBondContact O-N 2.92Å; K496-L498 PolarHBondContact O-N 3.02Å; K496-F529 CarbonylContact O-C 3.54Å; K496-F529 WeakPolarHBondContact O-CA 3.37Å; K496-G530 PolarHBondContact N-O 3.5Å; K496-G530 PolarHBondContact O-N 2.99Å; K496-S532 PolarHBondContact NZ-OG 2.81Å; K496-S532 VanDerWaalsContact NZ-OG 3.16Å
497	S	97	Very high	85.9	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.028	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	117.1	158.3	45.5	0	0	0	0	108.5	E254 E480	E254-S497 WeakPolarHBondContact CG-OG 3.39Å; E480-S497 PolarHBondContact OE1-OG 3.07Å
498	L	97.6	Very high	86.2	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-55.7	175.3	-56.4	-178.3	0	0	0	108.8	K250 E266 I468 K496 L528	K250-L498 WeakPolarHBondContact CD-O 3.18Å; K250-L498 PolarHBondContact NZ-O 3.37Å; E266-L498 HydrophobicContact CG-CB 4.17Å; I468-L498 HydrophobicContact CG2-CD1 3.88Å; K496-L498 PolarHBondContact O-N 3.02Å; L498-L528 HydrophobicContact CB-CB 4.48Å; L498-L528 HydrophobicContact CB-CD2 4.2Å; L498-L528 HydrophobicContact CB-CG 4.4Å; L498-L528 HydrophobicContact CD1-CD2 3.99Å; L498-L528 HydrophobicContact CD1-CG 4.14Å; L498-L528 PolarHBondContact N-O 3.01Å
499	C	98.6	Very high	87	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	167.5	172.9	68.6	0	0	0	0	110.7	R249 T264 E266 P501 T527 L528	R249-C499 CarbonylContact O-C 3.54Å; R249-C499 WeakPolarHBondContact O-CA 3.49Å; T264-C499 HydrophobicContact CG2-CB 3.58Å; E266-C499 HydrophobicContact CG-CB 4.12Å; C499-P501 WeakPolarHBondContact O-CD 3.45Å; C499-T527 WeakPolarHBondContact O-CG2 3.4Å; C499-L528 WeakPolarHBondContact O-CB 3.19Å; C499-L528 PolarHBondContact O-N 3.37Å
500	I	98.6	Very high	88.2	Confident	33 Å²	33	64.3 Å²	64.3	17%	0.169	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	104.8	160.5	-57.5	167.6	0	0	0	106	G248 R249 T251 T475 C525 T527	G248-I500 CarbonylContact C-O 3.56Å; G248-I500 WeakPolarHBondContact CA-O 3.27Å; R249-I500 PolarHBondContact N-O 3.5Å; R249-I500 PolarHBondContact O-N 3.31Å; T251-I500 HydrophobicContact CG2-CG1 4.41Å; T475-I500 HydrophobicContact CG2-CD1 4.21Å; I500-C525 HydrophobicContact CG2-CB 3.86Å; I500-C525 VanDerWaalsContact CG2-SG 3.59Å; I500-T527 HydrophobicContact CG1-CG2 4.3Å
501	P	98.5	Very high	89.8	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.019	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.4	-177.7	-22.7	35.7	0	0	0	111.1	I246 M470 C499 E503 Q504 Y526 L528	I246-P501 HydrophobicContact CG2-CB 3.96Å; I246-P501 HydrophobicContact CG2-CG 4.23Å; M470-P501 HydrophobicContact CE-CB 4.36Å; M470-P501 HydrophobicContact CE-CG 3.99Å; M470-P501 HydrophobicContact SD-CG 4.48Å; C499-P501 WeakPolarHBondContact O-CD 3.45Å; P501-E503 VanDerWaalsContact C-N 3.29Å; P501-Q504 PolarHBondContact O-NE2 2.88Å; P501-Y526 WeakPolarHBondContact CD-O 3.24Å; P501-L528 HydrophobicContact CG-CB 3.84Å
502	F	98.4	Very high	92	Very high	85 Å²	85	58.4 Å²	58.4	37%	0.373	33%	0.326	S	S	.	.	S	Bend	trans	-68.9	-33.4	173.7	-62.2	-44.6	0	0	0	112	Y227 L230 K247 G248 R249 T263 Q504	Y227-F502 HydrophobicContact CD1-CE2 4.33Å; Y227-F502 HydrophobicContact CD1-CZ 4.33Å; Y227-F502 HydrophobicContact CE1-CE1 4.15Å; Y227-F502 HydrophobicContact CE1-CE2 4.02Å; Y227-F502 AromaticContact CE1-CZ 3.59Å; Y227-F502 HydrophobicContact CE1-CZ 3.59Å; L230-F502 HydrophobicContact CD2-CD2 4.41Å; L230-F502 HydrophobicContact CD2-CE2 3.51Å; L230-F502 HydrophobicContact CD2-CZ 4.34Å; K247-F502 HydrophobicContact CB-CD2 3.81Å; K247-F502 HydrophobicContact CB-CE2 4.22Å; K247-F502 PolarHBondContact O-N 3.33Å; G248-F502 VanDerWaalsContact C-CZ 3.48Å; R249-F502 HydrophobicContact CB-CE1 3.99Å; R249-F502 HydrophobicContact CB-CZ 4.36Å; T263-F502 HydrophobicContact CG2-CZ 3.95Å; F502-Q504 PolarHBondContact O-N 3.21Å
503	E	97.4	Very high	94	Very high	162 Å²	162	59.8 Å²	59.8	76%	0.757	32%	0.32	S	S	*	.	S	Bend	trans	-84.6	94.6	170.1	-68.4	177.4	-157.7	0	0	109	P501	P501-E503 VanDerWaalsContact C-N 3.29Å
504	Q	98	Very high	95.2	Very high	71 Å²	71	59 Å²	59	33%	0.332	32%	0.317	S	S	.	.			trans	-73.8	137.5	174.8	-66.1	-73.2	-66.3	0	0	109.6	P501 F502 E506 Y526	P501-Q504 PolarHBondContact O-NE2 2.88Å; F502-Q504 PolarHBondContact O-N 3.21Å; Q504-E506 VanDerWaalsContact C-N 3.26Å; Q504-E506 PolarHBondContact O-N 2.85Å; Q504-Y526 PolarHBondContact NE2-O 3.24Å
505	P	96.7	Very high	95.8	Very high	52 Å²	52	59 Å²	59	34%	0.338	32%	0.315	S	S	.	.	S	Bend	trans	-67.3	-29.2	-175.4	26.5	-34.2	0	0	0	112.9	V452 M470 Y526	V452-P505 HydrophobicContact CG1-CG 4.28Å; V452-P505 HydrophobicContact CG2-CB 3.48Å; V452-P505 VanDerWaalsContact CG2-CB 3.48Å; V452-P505 HydrophobicContact CG2-CG 3.87Å; M470-P505 HydrophobicContact CB-CG 4.42Å; M470-P505 HydrophobicContact SD-CB 4.27Å; M470-P505 HydrophobicContact SD-CG 4.08Å; P505-Y526 HydrophobicContact CG-CD1 3.76Å; P505-Y526 HydrophobicContact CG-CD2 3.77Å; P505-Y526 HydrophobicContact CG-CE1 4.21Å; P505-Y526 HydrophobicContact CG-CE2 4.21Å; P505-Y526 HydrophobicContact CG-CG 3.54Å
506	E	95.5	Very high	96	Very high	80 Å²	80	59.1 Å²	59.1	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	-165.7	167.4	177.3	60	-174.9	-158.6	0	0	109.9	R454 Q504 Y526	R454-E506 IonicContact CZ-OE1 2.81Å; R454-E506 IonicContact CZ-OE2 2.69Å; R454-E506 IonicContact NE-OE1 3.5Å; R454-E506 PolarHBondContact NE-OE1 2.91Å; R454-E506 IonicContact NH2-OE1 3.58Å; R454-E506 PolarHBondContact NH2-OE1 3.35Å; R454-E506 IonicContact NH2-OE2 3.5Å; R454-E506 PolarHBondContact NH2-OE2 3.36Å; Q504-E506 VanDerWaalsContact C-N 3.26Å; Q504-E506 PolarHBondContact O-N 2.85Å; E506-Y526 HydrophobicContact CG-CE2 3.6Å; E506-Y526 PolarHBondContact OE1-OH 3.22Å
507	Q	95.4	Very high	96.1	Very high	183 Å²	183	60.5 Å²	60.5	86%	0.855	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-72.1	138.6	170	-169.6	172.8	5.5	0	0	110.3	S509	Q507-S509 PolarHBondContact O-N 3.02Å
508	L	95.5	Very high	96	Very high	43 Å²	43	67 Å²	67	23%	0.225	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-62.1	136.6	174.8	-68.6	170.8	0	0	0	111	P472 Q512 A523 E524 Y526	P472-L508 HydrophobicContact CB-CD2 3.97Å; P472-L508 HydrophobicContact CG-CD2 4.37Å; L508-Q512 HydrophobicContact CB-CB 4.34Å; L508-Q512 HydrophobicContact CD2-CB 4.31Å; L508-Q512 HydrophobicContact CD2-CG 3.81Å; L508-A523 HydrophobicContact CD1-CB 4.14Å; L508-A523 WeakPolarHBondContact CD1-O 3.47Å; L508-A523 HydrophobicContact CD2-CB 4.11Å; L508-E524 WeakPolarHBondContact CD1-O 3.47Å; L508-Y526 HydrophobicContact CD2-CD2 3.88Å; L508-Y526 HydrophobicContact CD2-CE2 3.54Å; L508-Y526 HydrophobicContact CG-CD2 4.46Å; L508-Y526 HydrophobicContact CG-CE2 4.27Å
509	S	92.9	Very high	95.9	Very high	67 Å²	67	67.1 Å²	67.1	47%	0.469	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-68	153.7	173.6	71.8	0	0	0	0	111.3	Q507 G511 Q512	Q507-S509 PolarHBondContact O-N 3.02Å; S509-G511 PolarHBondContact O-N 3.14Å; S509-G511 VanDerWaalsContact O-N 3.15Å; S509-Q512 VanDerWaalsContact O-CB 3.25Å; S509-Q512 WeakPolarHBondContact O-CB 3.3Å; S509-Q512 PolarHBondContact O-N 2.89Å; S509-Q512 WeakPolarHBondContact OG-CB 3.42Å; S509-Q512 PolarHBondContact OG-OE1 3.24Å
510	T	90.4	Very high	95.7	Very high	154 Å²	154	73.4 Å²	73.4	95%	0.945	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	120.3	176.5	-52.5	0	0	0	0	110.3	Q512	T510-Q512 VanDerWaalsContact C-N 3.31Å
511	G	89.8	Confident	95.6	Very high	63 Å²	63	75.4 Å²	75.4	65%	0.649	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	13.7	-177.5	0	0	0	0	0	114.6	S509 K513	S509-G511 PolarHBondContact O-N 3.14Å; S509-G511 VanDerWaalsContact O-N 3.15Å; G511-K513 PolarHBondContact O-N 3.01Å; G511-K513 VanDerWaalsContact O-N 3.13Å
512	Q	94.3	Very high	95.5	Very high	37 Å²	37	79.4 Å²	79.4	17%	0.173	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-51.6	119.9	172.7	-175.3	61.1	48.6	0	0	110	P472 L508 S509 T510 A523	P472-Q512 HydrophobicContact CB-CG 3.8Å; P472-Q512 HydrophobicContact CG-CG 3.96Å; L508-Q512 HydrophobicContact CB-CB 4.34Å; L508-Q512 HydrophobicContact CD2-CB 4.31Å; L508-Q512 HydrophobicContact CD2-CG 3.81Å; S509-Q512 VanDerWaalsContact O-CB 3.25Å; S509-Q512 WeakPolarHBondContact O-CB 3.3Å; S509-Q512 PolarHBondContact O-N 2.89Å; S509-Q512 WeakPolarHBondContact OG-CB 3.42Å; S509-Q512 PolarHBondContact OG-OE1 3.24Å; T510-Q512 VanDerWaalsContact C-N 3.31Å; Q512-A523 HydrophobicContact CG-CB 4.25Å; Q512-A523 PolarHBondContact O-N 3.22Å
513	K	95.4	Very high	95.5	Very high	125 Å²	125	76 Å²	76	54%	0.543	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-81.4	156.2	177.6	-65.4	-171.4	177.6	-172.9	0	111.2	G511	G511-K513 PolarHBondContact O-N 3.01Å; G511-K513 VanDerWaalsContact O-N 3.13Å
514	C	97.7	Very high	95.5	Very high	9 Å²	9	74.4 Å²	74.4	6%	0.061	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-54	148.6	166.4	-173.9	0	0	0	0	111.5	P472 C474 H516 C519 R521	P472-C514 CarbonylContact O-C 3.57Å; C474-C514 HydrophobicContact CB-CB 4Å; C514-H516 PolarHBondContact O-N 2.92Å; C514-C519 HydrophobicContact CB-CB 3.95Å; C514-R521 PolarHBondContact N-O 3.32Å
515	I	97.7	Very high	95.4	Very high	7 Å²	7	71.7 Å²	71.7	4%	0.036	40%	0.397	C	S	.	.	S	Bend	trans	-61.4	-30.3	-178.4	-169.7	61.5	0	0	0	113.2	V453 W456 F459 A471 P472 I483	V453-I515 HydrophobicContact CG2-CD1 4.16Å; W456-I515 HydrophobicContact CE3-CG1 4.3Å; F459-I515 HydrophobicContact CB-CD1 4.24Å; F459-I515 HydrophobicContact CB-CG1 4.01Å; F459-I515 HydrophobicContact CD2-CG1 3.8Å; F459-I515 HydrophobicContact CG-CG1 4.05Å; A471-I515 HydrophobicContact CB-CB 3.88Å; A471-I515 HydrophobicContact CB-CD1 4.08Å; A471-I515 HydrophobicContact CB-CG1 3.73Å; A471-I515 HydrophobicContact CB-CG2 4.14Å; P472-I515 VanDerWaalsContact O-CB 3.3Å; P472-I515 WeakPolarHBondContact O-CB 3.44Å; P472-I515 PolarHBondContact O-N 2.66Å; I483-I515 HydrophobicContact CD1-CG2 3.95Å
516	H	97.3	Very high	95.5	Very high	3 Å²	3	69.2 Å²	69.2	1%	0.014	38%	0.381	C	S	.	.	S	Bend	trans	-77.1	126.6	-177.5	-166.4	-88.4	0	0	0	111.1	W456 Q482 I483 D486 C514 M518 C519	W456-H516 AromaticContact CH2-CD2 3.74Å; W456-H516 AromaticContact CZ2-CD2 3.98Å; W456-H516 AromaticContact CZ3-CD2 3.87Å; Q482-H516 WeakPolarHBondContact CG-CE1 3.2Å; I483-H516 HydrophobicContact CD1-CB 4.38Å; I483-H516 HydrophobicContact CG1-CB 3.93Å; D486-H516 IonicContact OD2-CE1 2.79Å; D486-H516 PolarHBondContact OD2-CE1 3.37Å; D486-H516 IonicContact OD2-NE2 3.24Å; D486-H516 PolarHBondContact OD2-NE2 2.92Å; C514-H516 PolarHBondContact O-N 2.92Å; H516-M518 VanDerWaalsContact C-N 3.27Å; H516-M518 PolarHBondContact ND1-N 3.45Å; H516-M518 PolarHBondContact O-N 2.98Å; H516-C519 HydrophobicContact CB-CB 4.1Å; H516-C519 WeakPolarHBondContact O-CB 3.37Å; H516-C519 PolarHBondContact O-N 3.39Å
517	P	95.4	Very high	95.7	Very high	83 Å²	83	65.4 Å²	65.4	54%	0.539	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.7	-169	26.9	-35	0	0	0	113.6	W456 C519	W456-P517 HydrophobicContact CB-CG 4.19Å; W456-P517 HydrophobicContact CD2-CG 4.36Å; W456-P517 VanDerWaalsContact CG-CD 3.44Å; W456-P517 HydrophobicContact CG-CG 3.83Å; P517-C519 VanDerWaalsContact C-N 3.34Å
518	M	94.8	Very high	95.8	Very high	140 Å²	140	56.7 Å²	56.7	69%	0.69	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.5	175.3	-60.5	-179.9	63.2	0	0	113.4	H516	H516-M518 VanDerWaalsContact C-N 3.27Å; H516-M518 PolarHBondContact ND1-N 3.45Å; H516-M518 PolarHBondContact O-N 2.98Å
519	C	96.4	Very high	95.9	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.061	31%	0.312	C	S	.	.			trans	-96.4	112.4	-179.5	-171.4	0	0	0	0	110.5	C514 H516 P517 R521	C514-C519 HydrophobicContact CB-CB 3.95Å; H516-C519 HydrophobicContact CB-CB 4.1Å; H516-C519 WeakPolarHBondContact O-CB 3.37Å; H516-C519 PolarHBondContact O-N 3.39Å; P517-C519 VanDerWaalsContact C-N 3.34Å; C519-R521 PolarHBondContact SG-NE 3.06Å; C519-R521 VanDerWaalsContact SG-NE 3.41Å
520	N	94	Very high	96.1	Very high	132 Å²	132	51.5 Å²	51.5	71%	0.706	29%	0.289	S	S	*	.			trans	-89	0.7	178.1	-70.3	-48	0	0	0	113.9
521	R	96.6	Very high	96.2	Very high	75 Å²	75	46.6 Å²	46.6	28%	0.283	25%	0.254	S	S	.	.	S	Bend	trans	-71.2	147.1	177.8	-72.3	171.7	-75.1	-140.1	-10.7	110.8	C474 N476 D478 C514 C519	C474-R521 HydrophobicContact CB-CB 3.82Å; N476-R521 PolarHBondContact OD1-NH1 3.02Å; D478-R521 VanDerWaalsContact CG-NH2 3.29Å; D478-R521 IonicContact OD1-CZ 3.63Å; D478-R521 IonicContact OD1-NH1 2.7Å; D478-R521 PolarHBondContact OD1-NH1 3.5Å; D478-R521 IonicContact OD1-NH2 3.6Å; D478-R521 PolarHBondContact OD1-NH2 2.83Å; D478-R521 VanDerWaalsContact OD1-NH2 3.11Å; D478-R521 IonicContact OD2-CZ 2.83Å; D478-R521 IonicContact OD2-NH1 3.5Å; D478-R521 PolarHBondContact OD2-NH1 3.26Å; D478-R521 IonicContact OD2-NH2 3.74Å; D478-R521 PolarHBondContact OD2-NH2 2.91Å; C514-R521 PolarHBondContact N-O 3.32Å; C519-R521 PolarHBondContact SG-NE 3.06Å; C519-R521 VanDerWaalsContact SG-NE 3.41Å
522	P	96.7	Very high	96.3	Very high	88 Å²	88	44.6 Å²	44.6	57%	0.571	23%	0.23	S	C	*	.	B	Isolated β-bridge	trans	-61.9	147.5	170	28.4	-34.3	0	0	0	110.2	C474	C474-P522 VanDerWaalsContact CB-O 3.27Å; C474-P522 WeakPolarHBondContact CB-O 3.28Å
523	A	97.5	Very high	96	Very high	14 Å²	14	45.7 Å²	45.7	12%	0.116	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-71.4	143.2	167.7	0	0	0	0	0	109.8	P472 F473 L508 Q512	P472-A523 HydrophobicContact CB-CB 3.54Å; F473-A523 WeakPolarHBondContact O-CA 3.09Å; L508-A523 HydrophobicContact CD1-CB 4.14Å; L508-A523 WeakPolarHBondContact CD1-O 3.47Å; L508-A523 HydrophobicContact CD2-CB 4.11Å; Q512-A523 HydrophobicContact CG-CB 4.25Å; Q512-A523 PolarHBondContact O-N 3.22Å
524	E	96.8	Very high	96.1	Very high	127 Å²	127	41.7 Å²	41.7	59%	0.593	22%	0.217	S	C	*	.			trans	-103.8	-31.8	177.2	-61.4	-177	178.3	0	0	111.6	F473 T475 L508	F473-E524 PolarHBondContact O-N 2.56Å; T475-E524 HydrophobicContact CG2-CB 4.06Å; T475-E524 VanDerWaalsContact OG1-CD 3.24Å; T475-E524 PolarHBondContact OG1-OE2 3.35Å; L508-E524 WeakPolarHBondContact CD1-O 3.47Å
525	C	97.6	Very high	96	Very high	14 Å²	14	43.4 Å²	43.4	10%	0.095	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	168	177.5	57.1	0	0	0	0	111.3	F473 T475 I500 T527	F473-C525 PolarHBondContact N-O 2.78Å; F473-C525 PolarHBondContact O-N 2.53Å; T475-C525 VanDerWaalsContact CG2-SG 3.57Å; I500-C525 HydrophobicContact CG2-CB 3.86Å; I500-C525 VanDerWaalsContact CG2-SG 3.59Å; C525-T527 PolarHBondContact SG-OG1 3.25Å
526	Y	98.5	Very high	95.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.5	155.3	-74.6	-91.5	0	0	0	109.6	V452 R454 M470 A471 P472 P501 Q504 P505 E506 L508	V452-Y526 HydrophobicContact CG1-CD1 4.13Å; V452-Y526 HydrophobicContact CG1-CE1 3.59Å; R454-Y526 PolarHBondContact NE-OH 3.12Å; M470-Y526 HydrophobicContact CB-CD1 4.48Å; A471-Y526 WeakPolarHBondContact O-CA 3.42Å; P472-Y526 VanDerWaalsContact CD-CE1 3.49Å; P472-Y526 HydrophobicContact CG-CD1 4.18Å; P472-Y526 HydrophobicContact CG-CE1 3.56Å; P501-Y526 WeakPolarHBondContact CD-O 3.24Å; Q504-Y526 PolarHBondContact NE2-O 3.24Å; P505-Y526 HydrophobicContact CG-CD1 3.76Å; P505-Y526 HydrophobicContact CG-CD2 3.77Å; P505-Y526 HydrophobicContact CG-CE1 4.21Å; P505-Y526 HydrophobicContact CG-CE2 4.21Å; P505-Y526 HydrophobicContact CG-CG 3.54Å; E506-Y526 HydrophobicContact CG-CE2 3.6Å; E506-Y526 PolarHBondContact OE1-OH 3.22Å; L508-Y526 HydrophobicContact CD2-CD2 3.88Å; L508-Y526 HydrophobicContact CD2-CE2 3.54Å; L508-Y526 HydrophobicContact CG-CD2 4.46Å; L508-Y526 HydrophobicContact CG-CE2 4.27Å
527	T	98.6	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.5	175	-58.9	0	0	0	0	108.7	T251 M470 A471 F473 C499 I500 C525 F529	T251-T527 HydrophobicContact CG2-CG2 4.31Å; M470-T527 WeakPolarHBondContact CA-O 3.49Å; A471-T527 PolarHBondContact N-O 2.93Å; A471-T527 PolarHBondContact O-N 3.06Å; F473-T527 WeakPolarHBondContact CB-OG1 3.32Å; F473-T527 HydrophobicContact CD1-CG2 4.18Å; F473-T527 WeakPolarHBondContact CD1-OG1 3.25Å; C499-T527 WeakPolarHBondContact O-CG2 3.4Å; I500-T527 HydrophobicContact CG1-CG2 4.3Å; C525-T527 PolarHBondContact SG-OG1 3.25Å; T527-F529 HydrophobicContact CG2-CD2 4.3Å; T527-F529 HydrophobicContact CG2-CE1 4.36Å; T527-F529 HydrophobicContact CG2-CE2 3.78Å; T527-F529 HydrophobicContact CG2-CZ 3.79Å; T527-F529 WeakPolarHBondContact O-CD2 3.24Å; T527-F529 WeakPolarHBondContact O-CE2 3.38Å
528	L	98.3	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.3	174.8	-170.6	72.9	0	0	0	108.6	I246 T450 I468 V469 M470 L498 C499 P501	I246-L528 HydrophobicContact CD1-CD1 4.47Å; I246-L528 HydrophobicContact CD1-CD2 3.82Å; I246-L528 HydrophobicContact CG2-CD2 4.46Å; T450-L528 HydrophobicContact CG2-CD1 4.28Å; I468-L528 HydrophobicContact CB-CD1 4.14Å; I468-L528 HydrophobicContact CD1-CD1 4.23Å; I468-L528 HydrophobicContact CD1-CD2 4.28Å; I468-L528 HydrophobicContact CG1-CD1 4.35Å; V469-L528 CarbonylContact O-C 3.53Å; V469-L528 WeakPolarHBondContact O-CA 3.46Å; M470-L528 HydrophobicContact CE-CD1 4.09Å; M470-L528 HydrophobicContact CG-CD1 3.58Å; L498-L528 HydrophobicContact CB-CB 4.48Å; L498-L528 HydrophobicContact CB-CD2 4.2Å; L498-L528 HydrophobicContact CB-CG 4.4Å; L498-L528 HydrophobicContact CD1-CD2 3.99Å; L498-L528 HydrophobicContact CD1-CG 4.14Å; L498-L528 PolarHBondContact N-O 3.01Å; C499-L528 WeakPolarHBondContact O-CB 3.19Å; C499-L528 PolarHBondContact O-N 3.37Å; P501-L528 HydrophobicContact CG-CB 3.84Å
529	F	97.9	Very high	95.9	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.9	177	-67	-89.1	0	0	0	110.9	F459 I468 V469 A471 F473 I483 K496 T527	F459-F529 HydrophobicContact CE2-CB 3.58Å; F459-F529 HydrophobicContact CE2-CD1 4.38Å; F459-F529 AromaticContact CE2-CD2 3.69Å; F459-F529 HydrophobicContact CE2-CD2 3.69Å; F459-F529 HydrophobicContact CE2-CE2 4.46Å; F459-F529 AromaticContact CE2-CG 3.64Å; F459-F529 HydrophobicContact CE2-CG 3.64Å; F459-F529 HydrophobicContact CZ-CB 3.66Å; F459-F529 HydrophobicContact CZ-CD1 4.12Å; F459-F529 HydrophobicContact CZ-CD2 4.26Å; F459-F529 AromaticContact CZ-CG 3.77Å; F459-F529 HydrophobicContact CZ-CG 3.77Å; I468-F529 CarbonylContact C-O 3.57Å; I468-F529 WeakPolarHBondContact CA-O 3.32Å; V469-F529 PolarHBondContact N-O 2.95Å; V469-F529 PolarHBondContact O-N 3.49Å; A471-F529 HydrophobicContact CB-CD2 4.2Å; A471-F529 HydrophobicContact CB-CE2 4.34Å; F473-F529 HydrophobicContact CB-CE2 4.05Å; F473-F529 HydrophobicContact CB-CZ 4.02Å; F473-F529 AromaticContact CD1-CZ 3.93Å; F473-F529 HydrophobicContact CD1-CZ 3.93Å; F473-F529 AromaticContact CD2-CZ 3.84Å; F473-F529 HydrophobicContact CD2-CZ 3.84Å; F473-F529 HydrophobicContact CE1-CZ 4.36Å; F473-F529 HydrophobicContact CE2-CZ 4.32Å; F473-F529 HydrophobicContact CG-CE2 4.22Å; F473-F529 AromaticContact CG-CZ 3.67Å; F473-F529 HydrophobicContact CG-CZ 3.67Å; I483-F529 HydrophobicContact CD1-CE1 3.98Å; I483-F529 HydrophobicContact CD1-CZ 3.96Å; I483-F529 HydrophobicContact CG2-CD1 4.26Å; I483-F529 HydrophobicContact CG2-CE1 4.25Å; K496-F529 CarbonylContact O-C 3.54Å; K496-F529 WeakPolarHBondContact O-CA 3.37Å; T527-F529 HydrophobicContact CG2-CD2 4.3Å; T527-F529 HydrophobicContact CG2-CE1 4.36Å; T527-F529 HydrophobicContact CG2-CE2 3.78Å; T527-F529 HydrophobicContact CG2-CZ 3.79Å; T527-F529 WeakPolarHBondContact O-CD2 3.24Å; T527-F529 WeakPolarHBondContact O-CE2 3.38Å
530	G	95.7	Very high	95.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-175.7	170.2	0	0	0	0	0	112	K496	K496-G530 PolarHBondContact N-O 3.5Å; K496-G530 PolarHBondContact O-N 2.99Å
531	R	94.1	Very high	96	Very high	52 Å²	52	34.7 Å²	34.7	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.8	167.5	-64.4	-172	176.3	149.6	-2.7	108.3	R274 G275 V463 D464 M493	R274-R531 CarbonylContact C-O 3.55Å; R274-R531 WeakPolarHBondContact CA-O 3.36Å; R274-R531 WeakPolarHBondContact CB-O 3.21Å; R274-R531 HydrophobicContact CG-CB 4.02Å; G275-R531 PolarHBondContact N-O 2.84Å; V463-R531 HydrophobicContact CG1-CG 4.02Å; D464-R531 IonicContact OD1-CZ 3.82Å; D464-R531 IonicContact OD1-NH2 3.18Å; D464-R531 PolarHBondContact OD1-NH2 3.32Å; M493-R531 HydrophobicContact CE-CB 3.74Å; M493-R531 HydrophobicContact CE-CG 4.47Å; M493-R531 WeakPolarHBondContact O-CG 3.29Å
532	S	91.6	Very high	96	Very high	20 Å²	20	31.3 Å²	31.3	14%	0.14	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	153.6	-179.5	88.1	0	0	0	0	112.2	G275 M493 K496	G275-S532 CarbonylContact O-C 3.55Å; G275-S532 WeakPolarHBondContact O-CA 3.23Å; M493-S532 VanDerWaalsContact CE-O 3.22Å; M493-S532 WeakPolarHBondContact CE-O 3.47Å; K496-S532 PolarHBondContact NZ-OG 2.81Å; K496-S532 VanDerWaalsContact NZ-OG 3.16Å
533	Y	88.2	Confident	95.9	Very high	60 Å²	60	26.2 Å²	26.2	24%	0.235	13%	0.125	C	C	.	.			trans	-65.8	0	157.5	-86.4	-91.4	0	0	0	112.8	F64 L202 I269 T272 R274 G275 I276 M324	F64-Y533 VanDerWaalsContact CE1-OH 3.3Å; F64-Y533 WeakPolarHBondContact CE1-OH 3.29Å; L202-Y533 HydrophobicContact CD1-CD1 4.16Å; L202-Y533 HydrophobicContact CD1-CE1 3.95Å; L202-Y533 HydrophobicContact CD2-CD1 4.2Å; I269-Y533 HydrophobicContact CB-CE2 3.69Å; I269-Y533 HydrophobicContact CG1-CD2 4.09Å; I269-Y533 HydrophobicContact CG1-CE2 3.5Å; I269-Y533 VanDerWaalsContact CG1-CE2 3.5Å; I269-Y533 HydrophobicContact CG2-CE2 4.09Å; T272-Y533 WeakPolarHBondContact CB-OH 3.3Å; T272-Y533 WeakPolarHBondContact CG2-OH 3.31Å; T272-Y533 VanDerWaalsContact OG1-CE2 3.28Å; T272-Y533 WeakPolarHBondContact OG1-CE2 3.46Å; T272-Y533 PolarHBondContact OG1-OH 2.93Å; R274-Y533 HydrophobicContact CB-CD2 3.61Å; R274-Y533 HydrophobicContact CB-CE2 3.58Å; R274-Y533 HydrophobicContact CG-CD2 4.45Å; R274-Y533 HydrophobicContact CG-CE2 4.28Å; G275-Y533 PolarHBondContact O-N 3.29Å; I276-Y533 HydrophobicContact CB-CD2 4.1Å; I276-Y533 HydrophobicContact CD1-CD2 4.14Å; I276-Y533 HydrophobicContact CD1-CG 4.03Å; M324-Y533 HydrophobicContact SD-CE1 4.11Å

Retrieved 533 of 533 residues in 596.4 ms (Link to these results)

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